smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name C[C@@H]1C[N@@H+](C)[C@H](C)CN1c1ccc2ccc3cccnc3c2n1 ZINC001164639308 719173952 /nfs/dbraw/zinc/17/39/52/719173952.db2.gz RMAVXRKXBGVJJI-ZIAGYGMSSA-N 1 1 306.413 3.312 20 5 DGBDMO COc1c(O)ccc(C[N@H+]2CCCC[C@@H]2C(C)C)c1[N+](=O)[O-] ZINC001658290015 1082074612 /nfs/dbraw/zinc/07/46/12/1082074612.db2.gz JKKPSIAOQDNOCB-CYBMUJFWSA-N 1 1 308.378 3.320 20 5 DGBDMO COc1ccc(C[C@H]2CC[N@H+]2Cc2cccc([N+](=O)[O-])c2)cc1 ZINC001167633310 1082627074 /nfs/dbraw/zinc/62/70/74/1082627074.db2.gz DKMOXDYFADULMP-MRXNPFEDSA-N 1 1 312.369 3.420 20 5 DGBDMO C[C@H]1C[C@H](C)CN(CC[NH2+]C(C)(C)c2ccccc2[N+](=O)[O-])C1 ZINC001170649457 1083045929 /nfs/dbraw/zinc/04/59/29/1083045929.db2.gz DGVSAVYUMCPIBS-GJZGRUSLSA-N 1 1 319.449 3.397 20 5 DGBDMO CCC[N@@H+](Cc1ccc(Cl)c([N+](=O)[O-])c1)CC(C)(C)O ZINC000689904919 1083452782 /nfs/dbraw/zinc/45/27/82/1083452782.db2.gz TYUHYISXDCSXCX-UHFFFAOYSA-N 1 1 300.786 3.231 20 5 DGBDMO C[N@H+](Cc1nc2cc([N+](=O)[O-])ccc2o1)Cc1ccc(O)cc1 ZINC001181515902 1083492988 /nfs/dbraw/zinc/49/29/88/1083492988.db2.gz XOERLTOKFQSJJY-UHFFFAOYSA-N 1 1 313.313 3.074 20 5 DGBDMO C[N@@H+](Cc1nc2cc([N+](=O)[O-])ccc2o1)Cc1ccc(O)cc1 ZINC001181515902 1083492991 /nfs/dbraw/zinc/49/29/91/1083492991.db2.gz XOERLTOKFQSJJY-UHFFFAOYSA-N 1 1 313.313 3.074 20 5 DGBDMO C[C@H]1CCCC[N@H+]1CCCNc1ccc2nc[nH]c2c1[N+](=O)[O-] ZINC001167753873 1083632303 /nfs/dbraw/zinc/63/23/03/1083632303.db2.gz SIGZRCAJQWEUOF-LBPRGKRZSA-N 1 1 317.393 3.148 20 5 DGBDMO C[C@@H]1CCCC[C@H]1C[N@H+]1CC[C@H](Nc2ccc([N+](=O)[O-])cn2)C1 ZINC001167778213 1083796013 /nfs/dbraw/zinc/79/60/13/1083796013.db2.gz BZBCGHINUJCAHV-ILXRZTDVSA-N 1 1 318.421 3.302 20 5 DGBDMO CCC[N@H+]1CC[C@@H](Nc2ncc([N+](=O)[O-])c3ccccc32)C1 ZINC001187140248 1084762983 /nfs/dbraw/zinc/76/29/83/1084762983.db2.gz JZDOFOIQFZHPRW-GFCCVEGCSA-N 1 1 300.362 3.039 20 5 DGBDMO CC(C)[NH+]1CC(Nc2nc(-c3ccccc3)ccc2[N+](=O)[O-])C1 ZINC001168311701 1087290625 /nfs/dbraw/zinc/29/06/25/1087290625.db2.gz JUEVTSXNLRAVCE-UHFFFAOYSA-N 1 1 312.373 3.161 20 5 DGBDMO Cc1c(C)c(N[C@@H]2C[C@H]3CCC[C@@H](C2)[N@@H+]3C)ncc1[N+](=O)[O-] ZINC001160472754 1088823527 /nfs/dbraw/zinc/82/35/27/1088823527.db2.gz MLTFHPQCQRUBOA-ZSOGYDGISA-N 1 1 304.394 3.034 20 5 DGBDMO C[N@H+]1CCC[C@@](C)(Nc2nccc3cc([N+](=O)[O-])ccc32)C1 ZINC001162340691 1089680490 /nfs/dbraw/zinc/68/04/90/1089680490.db2.gz UMAZGLVUNVHDBD-MRXNPFEDSA-N 1 1 300.362 3.039 20 5 DGBDMO C[N@H+]1CCC[C@](C)(Nc2ccc3c(cccc3[N+](=O)[O-])n2)C1 ZINC001162341373 1089682948 /nfs/dbraw/zinc/68/29/48/1089682948.db2.gz LQQCBXKUBBEEMR-INIZCTEOSA-N 1 1 300.362 3.039 20 5 DGBDMO CC[N@H+]1CCCN(c2cccc(C(F)(F)F)c2[N+](=O)[O-])CC1 ZINC001162437124 1089733610 /nfs/dbraw/zinc/73/36/10/1089733610.db2.gz HMSZUTAADNFEDX-UHFFFAOYSA-N 1 1 317.311 3.146 20 5 DGBDMO Cc1c(C)c([N+](=O)[O-])cnc1N[C@H]1CC[N@H+](C(C)C)C[C@H]1C ZINC001163367383 1090166702 /nfs/dbraw/zinc/16/67/02/1090166702.db2.gz YXAPGNQAVPCHPZ-RISCZKNCSA-N 1 1 306.410 3.137 20 5 DGBDMO Cc1[nH+]ccn1CCNc1nc(-c2ccccc2)ccc1[N+](=O)[O-] ZINC001163920092 1090286524 /nfs/dbraw/zinc/28/65/24/1090286524.db2.gz QHTAJRXPGNJYFQ-UHFFFAOYSA-N 1 1 323.356 3.274 20 5 DGBDMO O=[N+]([O-])c1cccnc1NC[C@H]1CC[N@H+]1C1CCCCCC1 ZINC001163942423 1090293005 /nfs/dbraw/zinc/29/30/05/1090293005.db2.gz XJZFADNVAVGOLS-CQSZACIVSA-N 1 1 304.394 3.199 20 5 DGBDMO O=[N+]([O-])c1cccc(Nc2ccc(C[NH+]3CCOCC3)cc2)c1 ZINC001204455402 1090973211 /nfs/dbraw/zinc/97/32/11/1090973211.db2.gz BHXMZSHJKRLSKS-UHFFFAOYSA-N 1 1 313.357 3.171 20 5 DGBDMO C[N@@H+](CCc1ccc(F)cc1)CCc1ccccc1[N+](=O)[O-] ZINC001205756241 1091334795 /nfs/dbraw/zinc/33/47/95/1091334795.db2.gz ULPZBKVEEVTJCC-UHFFFAOYSA-N 1 1 302.349 3.451 20 5 DGBDMO Cc1csc(C[NH2+]Cc2nc3cc([N+](=O)[O-])ccc3o2)c1 ZINC001205875182 1091390129 /nfs/dbraw/zinc/39/01/29/1091390129.db2.gz HJCOWHNREXURBZ-UHFFFAOYSA-N 1 1 303.343 3.396 20 5 DGBDMO [NH3+][C@H]1CCN(Cc2ccc3ccc4cccnc4c3n2)CC[C@@H]1F ZINC001206188220 1091526052 /nfs/dbraw/zinc/52/60/52/1091526052.db2.gz UUQGDYPODMOERF-IRXDYDNUSA-N 1 1 324.403 3.044 20 5 DGBDMO COc1cccc([C@@H]2CCC[N@H+]2[C@H]2CC[C@H](C[N+](=O)[O-])C2)c1 ZINC001169036602 1092498578 /nfs/dbraw/zinc/49/85/78/1092498578.db2.gz GZEQPSGABLKABH-QRTARXTBSA-N 1 1 304.390 3.278 20 5 DGBDMO COc1ccc([C@@H]2CCC[N@H+]2[C@H]2CC[C@H](C[N+](=O)[O-])C2)cc1 ZINC001169026409 1092507823 /nfs/dbraw/zinc/50/78/23/1092507823.db2.gz LSNJTPCIPVKPPS-QRTARXTBSA-N 1 1 304.390 3.278 20 5 DGBDMO O=[N+]([O-])C[C@H]1CC[C@@H]([N@H+]2CC[C@H](Sc3ccc(F)cc3)C2)C1 ZINC001169046322 1092508155 /nfs/dbraw/zinc/50/81/55/1092508155.db2.gz KNEZAFKHAPIUAI-BJJXKVORSA-N 1 1 324.421 3.438 20 5 DGBDMO c1ccc2cc3cc(O[C@@H]4C[C@H]5CNCC[N@H+]5C4)ccc3cc2c1 ZINC001218107419 1094608274 /nfs/dbraw/zinc/60/82/74/1094608274.db2.gz VFMRHTNWWMZBKD-PZJWPPBQSA-N 1 1 318.420 3.418 20 5 DGBDMO c1ccc2cc3cc(O[C@@H]4C[C@H]5CNCC[N@@H+]5C4)ccc3cc2c1 ZINC001218107419 1094608279 /nfs/dbraw/zinc/60/82/79/1094608279.db2.gz VFMRHTNWWMZBKD-PZJWPPBQSA-N 1 1 318.420 3.418 20 5 DGBDMO O=[N+]([O-])c1cccc(OCC[N@H+]2CC[C@H]3CCCC[C@@H]3C2)c1 ZINC001337406381 1094964248 /nfs/dbraw/zinc/96/42/48/1094964248.db2.gz BXMAUPJFQKIZSX-HUUCEWRRSA-N 1 1 304.390 3.486 20 5 DGBDMO C[N@@H+]1[C@@H]2CCC[C@H]1C[C@H](Nc1ncc([N+](=O)[O-])cc1Cl)C2 ZINC001160466707 1095441914 /nfs/dbraw/zinc/44/19/14/1095441914.db2.gz VEOKUVRRBBKFNX-RTCCRHLQSA-N 1 1 310.785 3.070 20 5 DGBDMO CS[C@@H]1CC[C@@H]([N@@H+](C)Cn2ncc3cc([N+](=O)[O-])ccc32)C1 ZINC001116145498 1095468655 /nfs/dbraw/zinc/46/86/55/1095468655.db2.gz GYXNVBVPBLSIGL-TZMCWYRMSA-N 1 1 320.418 3.118 20 5 DGBDMO O=[N+]([O-])c1cccc([C@H](O)C[N@H+]2CC[C@@H]3CCCC[C@H]3C2)c1 ZINC001116351515 1095522607 /nfs/dbraw/zinc/52/26/07/1095522607.db2.gz CXRXCQZKGVDPAX-JLJPHGGASA-N 1 1 304.390 3.140 20 5 DGBDMO Cc1cc(N2CCC(c3c[nH+]cn3C)CC2)ccc1[N+](=O)[O-] ZINC001340027703 1095823155 /nfs/dbraw/zinc/82/31/55/1095823155.db2.gz IHGLNQSWWWTOQD-UHFFFAOYSA-N 1 1 300.362 3.021 20 5 DGBDMO C[NH+](C)/C=C/c1cc(NC2(C(F)(F)F)CC2)ncc1[N+](=O)[O-] ZINC001160824164 1095973148 /nfs/dbraw/zinc/97/31/48/1095973148.db2.gz ABJGRBFBGBREPU-ZZXKWVIFSA-N 1 1 316.283 3.029 20 5 DGBDMO O=[N+]([O-])c1cccnc1O[C@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC001225592807 1096476452 /nfs/dbraw/zinc/47/64/52/1096476452.db2.gz IMWRPOUOAUKKOF-HNNXBMFYSA-N 1 1 313.357 3.033 20 5 DGBDMO COc1ccc([N+](=O)[O-])cc1O[C@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2C(C)C ZINC001225616667 1096483569 /nfs/dbraw/zinc/48/35/69/1096483569.db2.gz VRCYTJLRXDYMCB-NHAGDIPZSA-N 1 1 320.389 3.386 20 5 DGBDMO C[N@@H+]1C[C@H]2CCC[C@@H](C1)[C@H]2Oc1cc(Cl)ccc1[N+](=O)[O-] ZINC001225712296 1096511909 /nfs/dbraw/zinc/51/19/09/1096511909.db2.gz FBGGCODPMNBIQN-HBYGRHMLSA-N 1 1 310.781 3.357 20 5 DGBDMO C[N@H+]1CCC[C@H](Oc2ccc([N+](=O)[O-])cc2C(F)(F)F)C1 ZINC001226311024 1096658680 /nfs/dbraw/zinc/65/86/80/1096658680.db2.gz JCNBJMNITMSIRB-JTQLQIEISA-N 1 1 304.268 3.087 20 5 DGBDMO O=[N+]([O-])c1ccc(O[C@H]2CCc3[nH+]ccn3C2)c2ccccc21 ZINC001226509113 1096708376 /nfs/dbraw/zinc/70/83/76/1096708376.db2.gz LEMKZMUVENGHOK-LBPRGKRZSA-N 1 1 309.325 3.338 20 5 DGBDMO C[N@H+]1CCC[C@H](Oc2ccc(C(F)(F)F)c([N+](=O)[O-])c2)C1 ZINC001226965101 1096830141 /nfs/dbraw/zinc/83/01/41/1096830141.db2.gz UVZPCUPSKJBOAW-JTQLQIEISA-N 1 1 304.268 3.087 20 5 DGBDMO C[C@@H](c1ccccn1)[N@H+]1CC[C@@H](Oc2ccccc2[N+](=O)[O-])C1 ZINC001227484565 1096939223 /nfs/dbraw/zinc/93/92/23/1096939223.db2.gz RSKXDQWQTVMQQH-UONOGXRCSA-N 1 1 313.357 3.204 20 5 DGBDMO C[N@@H+]1CCO[C@H](COc2cccc3cc4ccccc4nc32)C1 ZINC001228176976 1097068527 /nfs/dbraw/zinc/06/85/27/1097068527.db2.gz VARWCRPDELKWHX-INIZCTEOSA-N 1 1 308.381 3.097 20 5 DGBDMO C[N@H+]1CCO[C@H](COc2cccc3cc4ccccc4nc32)C1 ZINC001228176976 1097068529 /nfs/dbraw/zinc/06/85/29/1097068529.db2.gz VARWCRPDELKWHX-INIZCTEOSA-N 1 1 308.381 3.097 20 5 DGBDMO Cc1cc([N+](=O)[O-])cc(C)c1O[C@@H]1[C@@H]2CCC[C@H]1C[N@H+](C)C2 ZINC001228572002 1097145094 /nfs/dbraw/zinc/14/50/94/1097145094.db2.gz UOHNKHIXZYSRJM-XOIINTDNSA-N 1 1 304.390 3.321 20 5 DGBDMO CC(C)[N@H+]1CC[C@@H](Oc2c([N+](=O)[O-])cccc2C(F)(F)F)C1 ZINC001228929976 1097219116 /nfs/dbraw/zinc/21/91/16/1097219116.db2.gz ILBPLZUYJDUANE-SNVBAGLBSA-N 1 1 318.295 3.475 20 5 DGBDMO C[N@H+]1CCC[C@H](Oc2c([N+](=O)[O-])cccc2C(F)(F)F)C1 ZINC001228930393 1097219914 /nfs/dbraw/zinc/21/99/14/1097219914.db2.gz LFLCDKSPCOHMLY-VIFPVBQESA-N 1 1 304.268 3.087 20 5 DGBDMO CC(C)(C)[NH+]1CC(Oc2nccc3ccc([N+](=O)[O-])cc32)C1 ZINC001229004937 1097235582 /nfs/dbraw/zinc/23/55/82/1097235582.db2.gz AQVIVYHTYZFLGQ-UHFFFAOYSA-N 1 1 301.346 3.005 20 5 DGBDMO O=[N+]([O-])c1ccc2c(c1)CC[C@@H]([N@H+]1CCc3cnccc3C1)CC2 ZINC001172909955 1097291343 /nfs/dbraw/zinc/29/13/43/1097291343.db2.gz WASFOUZQRPEXJU-SFHVURJKSA-N 1 1 323.396 3.296 20 5 DGBDMO CCN(CC)CC[N@@H+](C)[C@@H]1CCc2ccc([N+](=O)[O-])cc2CC1 ZINC001172909582 1097291377 /nfs/dbraw/zinc/29/13/77/1097291377.db2.gz SXJQTYGOQAGYHC-QGZVFWFLSA-N 1 1 319.449 3.116 20 5 DGBDMO CC[NH+](CC)CCN(C)[C@@H]1CCc2ccc([N+](=O)[O-])cc2CC1 ZINC001172909582 1097291382 /nfs/dbraw/zinc/29/13/82/1097291382.db2.gz SXJQTYGOQAGYHC-QGZVFWFLSA-N 1 1 319.449 3.116 20 5 DGBDMO O=[N+]([O-])c1ccc2c(c1)CC[C@@H]([N@H+]1C[C@@H]3C[C@H]1C[C@H]3F)CC2 ZINC001172911866 1097292198 /nfs/dbraw/zinc/29/21/98/1097292198.db2.gz WTTNUHRLIPQGIF-NXNVCVFFSA-N 1 1 304.365 3.275 20 5 DGBDMO C[N@@H+]1[C@@H]2CC[C@H]1C[C@@H](Oc1cc([N+](=O)[O-])cc3cccnc31)C2 ZINC001229342504 1097302045 /nfs/dbraw/zinc/30/20/45/1097302045.db2.gz ALTNAYHKLTUCQT-NHAGDIPZSA-N 1 1 313.357 3.147 20 5 DGBDMO C[N@@H+]1C[C@H]2CCC[C@@H](C1)[C@@H]2Oc1ccc(Cl)cc1[N+](=O)[O-] ZINC001229381672 1097309890 /nfs/dbraw/zinc/30/98/90/1097309890.db2.gz VFNAGVUUGRPAOI-QHBPRCKVSA-N 1 1 310.781 3.357 20 5 DGBDMO COc1ccc([N+](=O)[O-])c(C[C@H](C)[N@H+]2CCC[C@@H](C)C2)c1F ZINC001173184040 1097356897 /nfs/dbraw/zinc/35/68/97/1097356897.db2.gz LDWXADCHMOSILP-NEPJUHHUSA-N 1 1 310.369 3.405 20 5 DGBDMO COc1ccc([N+](=O)[O-])c(C[C@H](C)[N@H+]2CCC[C@H](C)C2)c1F ZINC001173184047 1097357239 /nfs/dbraw/zinc/35/72/39/1097357239.db2.gz LDWXADCHMOSILP-RYUDHWBXSA-N 1 1 310.369 3.405 20 5 DGBDMO COc1ccc([N+](=O)[O-])c(C[C@@H](C)[N@@H+]2C[C@@H]3[C@H](C2)C3(C)C)c1F ZINC001173195682 1097358797 /nfs/dbraw/zinc/35/87/97/1097358797.db2.gz IQGKWBKKKGMUCB-RTXFEEFZSA-N 1 1 322.380 3.261 20 5 DGBDMO CC[C@@H]1CC[N@H+]([C@@H](C)Cc2c(F)c(OC)ccc2[N+](=O)[O-])C1 ZINC001173194741 1097358840 /nfs/dbraw/zinc/35/88/40/1097358840.db2.gz ZUGIANRKYONEBT-NWDGAFQWSA-N 1 1 310.369 3.405 20 5 DGBDMO CC(C)CN1CCC([NH2+][C@@H](C)Cc2ccc([N+](=O)[O-])cc2)CC1 ZINC001173218027 1097369629 /nfs/dbraw/zinc/36/96/29/1097369629.db2.gz IRKLJKKJWRXNBF-HNNXBMFYSA-N 1 1 319.449 3.236 20 5 DGBDMO C[C@H](Cc1ccc([N+](=O)[O-])cc1)[N@H+]1CC[C@H]2CCCO[C@H]2C1 ZINC001173223022 1097373175 /nfs/dbraw/zinc/37/31/75/1097373175.db2.gz WJYUYZJAZVRIIZ-UNEWFSDZSA-N 1 1 304.390 3.027 20 5 DGBDMO C[C@@H](Cc1ccc([N+](=O)[O-])cc1)[N@@H+](CCO)Cc1ccccc1 ZINC001173226466 1097375242 /nfs/dbraw/zinc/37/52/42/1097375242.db2.gz LXEREXDFRBEDBG-HNNXBMFYSA-N 1 1 314.385 3.020 20 5 DGBDMO COC[C@@]12CCC[C@@H]1C[N@H+]([C@@H](C)Cc1ccc([N+](=O)[O-])cc1)C2 ZINC001173226458 1097375446 /nfs/dbraw/zinc/37/54/46/1097375446.db2.gz QOVQMRGELXEPJC-LESCRADOSA-N 1 1 318.417 3.274 20 5 DGBDMO C[C@@H](Cc1ccc([N+](=O)[O-])cc1)[N@@H+](CCO)Cc1cccs1 ZINC001173227919 1097376348 /nfs/dbraw/zinc/37/63/48/1097376348.db2.gz SMMQWUPZAQXMBE-ZDUSSCGKSA-N 1 1 320.414 3.082 20 5 DGBDMO COC1C[C@H]2CC[C@@H](C1)[N@@H+]2[C@@H](C)Cc1ccc([N+](=O)[O-])cc1 ZINC001173231514 1097376877 /nfs/dbraw/zinc/37/68/77/1097376877.db2.gz LXVXJSDMPFBOGG-QIXHYMPYSA-N 1 1 304.390 3.168 20 5 DGBDMO CC[N@@H+]1CC[C@H](Oc2c(Cl)cc(Cl)cc2[N+](=O)[O-])C1 ZINC001230768233 1097578773 /nfs/dbraw/zinc/57/87/73/1097578773.db2.gz INQCGKKSBXJSIQ-VIFPVBQESA-N 1 1 305.161 3.375 20 5 DGBDMO CC[N@H+]1CC[C@H](Oc2c(Cl)cc(Cl)cc2[N+](=O)[O-])C1 ZINC001230768233 1097578775 /nfs/dbraw/zinc/57/87/75/1097578775.db2.gz INQCGKKSBXJSIQ-VIFPVBQESA-N 1 1 305.161 3.375 20 5 DGBDMO Cc1ccc(C)c([N+](=O)[O-])c1O[C@@H]1[C@@H]2CCC[C@H]1C[N@H+](C)C2 ZINC001231055240 1097657023 /nfs/dbraw/zinc/65/70/23/1097657023.db2.gz AKPUIDHMZPETMY-XOIINTDNSA-N 1 1 304.390 3.321 20 5 DGBDMO CC[N@H+]1CCC[C@H](Oc2cnc3c(cccc3[N+](=O)[O-])c2)C1 ZINC001231156756 1097683820 /nfs/dbraw/zinc/68/38/20/1097683820.db2.gz PMWVNOLSOQEJFU-ZDUSSCGKSA-N 1 1 301.346 3.006 20 5 DGBDMO CN(C)C[C@@H]1CCC[N@@H+]1Cc1ccc2ccc3cccnc3c2n1 ZINC001232223154 1097973128 /nfs/dbraw/zinc/97/31/28/1097973128.db2.gz KTHIIHCFNNNYJC-SFHVURJKSA-N 1 1 320.440 3.309 20 5 DGBDMO CN(C)C[C@@H]1CCC[N@H+]1Cc1ccc2ccc3cccnc3c2n1 ZINC001232223154 1097973130 /nfs/dbraw/zinc/97/31/30/1097973130.db2.gz KTHIIHCFNNNYJC-SFHVURJKSA-N 1 1 320.440 3.309 20 5 DGBDMO C[C@@H]1C[C@H](O)CC[N@H+]1Cc1ccc2ccc3cccnc3c2n1 ZINC001232223673 1097973301 /nfs/dbraw/zinc/97/33/01/1097973301.db2.gz RZXGTPGUTZQZEK-CXAGYDPISA-N 1 1 307.397 3.128 20 5 DGBDMO c1cnc2c(c1)ccc1ccc(C[N@H+]3C[C@@H]4CCO[C@@H]4C3)nc12 ZINC001232225689 1097974578 /nfs/dbraw/zinc/97/45/78/1097974578.db2.gz OMKLTUNSHPGNLY-DOTOQJQBSA-N 1 1 305.381 3.004 20 5 DGBDMO C[N@@H+](Cc1ccc2ccc3cccnc3c2n1)[C@H]1CCCOC1 ZINC001232228285 1097974633 /nfs/dbraw/zinc/97/46/33/1097974633.db2.gz NWMVKMOZGJQPPM-KRWDZBQOSA-N 1 1 307.397 3.394 20 5 DGBDMO C[N@H+]1CCc2ncc(Nc3ccc(/C=C/[N+](=O)[O-])cc3)cc2C1 ZINC001175899459 1098201655 /nfs/dbraw/zinc/20/16/55/1098201655.db2.gz WAWWQHJBJOAAMA-RMKNXTFCSA-N 1 1 310.357 3.061 20 5 DGBDMO CC(C)[N@H+]1CCC[C@H](Oc2cc(F)c([N+](=O)[O-])cc2F)C1 ZINC001233601859 1098386369 /nfs/dbraw/zinc/38/63/69/1098386369.db2.gz YDCRWNNDXDKDFR-JTQLQIEISA-N 1 1 300.305 3.125 20 5 DGBDMO C[C@@]12CSC[C@@H]1C[N@@H+](Cc1cc(Cl)ccc1[N+](=O)[O-])C2 ZINC001176804492 1098437322 /nfs/dbraw/zinc/43/73/22/1098437322.db2.gz QNNZLOQRPWXBLO-SMDDNHRTSA-N 1 1 312.822 3.433 20 5 DGBDMO COc1ccc(C[N@H+]2CCCC[C@@H]2[C@H]2CCCO2)cc1[N+](=O)[O-] ZINC001176926509 1098451510 /nfs/dbraw/zinc/45/15/10/1098451510.db2.gz KBVWOWYDVPUMHL-RHSMWYFYSA-N 1 1 320.389 3.137 20 5 DGBDMO CC(C)[N@H+]1CC[C@H](Oc2nccc3c2cccc3[N+](=O)[O-])C1 ZINC001234673778 1098641067 /nfs/dbraw/zinc/64/10/67/1098641067.db2.gz CCZTXMYDGAIPPF-LBPRGKRZSA-N 1 1 301.346 3.005 20 5 DGBDMO Cc1cc(OC2CC[NH+](CCF)CC2)c(C)c(C)c1[N+](=O)[O-] ZINC001234869801 1098691588 /nfs/dbraw/zinc/69/15/88/1098691588.db2.gz BUPNRQDKKTYJJA-UHFFFAOYSA-N 1 1 310.369 3.333 20 5 DGBDMO C[N@H+]1CCCC[C@@H]1C(=O)Nc1cc2cccnc2c2ncccc12 ZINC001178696986 1098914101 /nfs/dbraw/zinc/91/41/01/1098914101.db2.gz RCJNYZYCKFCQQP-MRXNPFEDSA-N 1 1 320.396 3.206 20 5 DGBDMO Cc1cc2cc3ccc(N(C)C)cc3[nH+]c2cc1NC(=O)CCO ZINC001179576429 1099134554 /nfs/dbraw/zinc/13/45/54/1099134554.db2.gz FKPVFAYEGHOQIN-UHFFFAOYSA-N 1 1 323.396 3.083 20 5 DGBDMO O=[N+]([O-])c1ccc2c(c1)C[N@@H+](Cc1cc3cccnc3o1)CC2 ZINC001180267092 1099362701 /nfs/dbraw/zinc/36/27/01/1099362701.db2.gz NSNUYHMMQIMSJV-UHFFFAOYSA-N 1 1 309.325 3.294 20 5 DGBDMO O=[N+]([O-])c1ccc2c(c1)C[N@H+](Cc1cc3cccnc3o1)CC2 ZINC001180267092 1099362713 /nfs/dbraw/zinc/36/27/13/1099362713.db2.gz NSNUYHMMQIMSJV-UHFFFAOYSA-N 1 1 309.325 3.294 20 5 DGBDMO O=[N+]([O-])c1cnn(CC[N@H+]2CCC[C@H](C3CCCCC3)C2)c1 ZINC001196409724 1101303153 /nfs/dbraw/zinc/30/31/53/1101303153.db2.gz JBMRDICGQAWRCX-HNNXBMFYSA-N 1 1 306.410 3.084 20 5 DGBDMO C[C@]1(C(F)(F)F)CC[N@@H+](CCOc2cccc([N+](=O)[O-])c2)C1 ZINC001197544676 1101594011 /nfs/dbraw/zinc/59/40/11/1101594011.db2.gz ZXAMQXGAWVAYJI-ZDUSSCGKSA-N 1 1 318.295 3.248 20 5 DGBDMO CC(C)(C)[C@H]1CC[N@H+](Cc2ccc([N+](=O)[O-])cc2F)CCO1 ZINC001198800035 1101991994 /nfs/dbraw/zinc/99/19/94/1101991994.db2.gz HGFIJQGXARRVGX-OAHLLOKOSA-N 1 1 310.369 3.371 20 5 DGBDMO CC(C)(C)[C@H]1CC[N@@H+](Cc2ccc([N+](=O)[O-])cc2F)CCO1 ZINC001198800035 1101992002 /nfs/dbraw/zinc/99/20/02/1101992002.db2.gz HGFIJQGXARRVGX-OAHLLOKOSA-N 1 1 310.369 3.371 20 5 DGBDMO CC(C)[C@@]1(CO)CC[N@@H+](Cc2cc(Cl)ccc2[N+](=O)[O-])C1 ZINC001325873066 1103143226 /nfs/dbraw/zinc/14/32/26/1103143226.db2.gz KJJGYGCAFOPNBF-HNNXBMFYSA-N 1 1 312.797 3.089 20 5 DGBDMO CO[C@@H](C)C[N@@H+](Cc1cc([N+](=O)[O-])ccc1Cl)C(C)C ZINC000688081145 1103195283 /nfs/dbraw/zinc/19/52/83/1103195283.db2.gz GQDHJDJAGRAADN-NSHDSACASA-N 1 1 300.786 3.494 20 5 DGBDMO CCC[N@H+]1CCCC[C@@H]1C(=O)N[C@@H](C)c1ccccc1[N+](=O)[O-] ZINC001329867449 1104402699 /nfs/dbraw/zinc/40/26/99/1104402699.db2.gz POGHKCULBSKGQU-XJKSGUPXSA-N 1 1 319.405 3.037 20 5 DGBDMO O=[N+]([O-])c1ccc(C[N@@H+]2CC[C@H]3C[C@H]3C2)c(Br)c1 ZINC001330581130 1104584321 /nfs/dbraw/zinc/58/43/21/1104584321.db2.gz FIYCQIUUPZOBMG-ONGXEEELSA-N 1 1 311.179 3.199 20 5 DGBDMO O=[N+]([O-])c1ccc(C[N@H+]2CC[C@H]3C[C@H]3C2)c(Br)c1 ZINC001330581130 1104584328 /nfs/dbraw/zinc/58/43/28/1104584328.db2.gz FIYCQIUUPZOBMG-ONGXEEELSA-N 1 1 311.179 3.199 20 5 DGBDMO CCC(CC)[N@@H+]1CC[C@H](N[C@@H](C)Cc2ccccc2[N+](=O)[O-])C1 ZINC001254547478 1106100819 /nfs/dbraw/zinc/10/08/19/1106100819.db2.gz ISKBUGNCWMXLMI-HOCLYGCPSA-N 1 1 319.449 3.378 20 5 DGBDMO CCC(CC)[N@H+]1CC[C@H](N[C@@H](C)Cc2ccccc2[N+](=O)[O-])C1 ZINC001254547478 1106100824 /nfs/dbraw/zinc/10/08/24/1106100824.db2.gz ISKBUGNCWMXLMI-HOCLYGCPSA-N 1 1 319.449 3.378 20 5 DGBDMO C[C@H](Cc1ccccc1[N+](=O)[O-])[N@@H+]1CCC(=O)[C@H]2CCCC[C@@H]21 ZINC001254550098 1106101735 /nfs/dbraw/zinc/10/17/35/1106101735.db2.gz CQDTXZYQWLPVKO-KMFMINBZSA-N 1 1 316.401 3.359 20 5 DGBDMO C[C@H](Cc1ccccc1[N+](=O)[O-])[N@H+]1CCC(=O)[C@H]2CCCC[C@@H]21 ZINC001254550098 1106101739 /nfs/dbraw/zinc/10/17/39/1106101739.db2.gz CQDTXZYQWLPVKO-KMFMINBZSA-N 1 1 316.401 3.359 20 5 DGBDMO O=[N+]([O-])c1ccc2c(c1)C[C@@H]([N@@H+]1C[C@H]3CC[C@@H](C1)C3(F)F)C2 ZINC001254592452 1106110063 /nfs/dbraw/zinc/11/00/63/1106110063.db2.gz DIQQOZZTYFLPIC-GUTXKFCHSA-N 1 1 308.328 3.039 20 5 DGBDMO O=[N+]([O-])c1ccc2c(c1)C[C@H]([N@H+]1CCC[C@@H]1c1cccnc1)C2 ZINC001254597307 1106110673 /nfs/dbraw/zinc/11/06/73/1106110673.db2.gz HBDYJHFDBHRMPE-QZTJIDSGSA-N 1 1 309.369 3.294 20 5 DGBDMO O=[N+]([O-])c1ccc2c(c1)C[C@H]([N@H+]1CCC[C@@H]1Cc1ccccn1)C2 ZINC001254597967 1106110807 /nfs/dbraw/zinc/11/08/07/1106110807.db2.gz FMJQAHUIANFBOL-IEBWSBKVSA-N 1 1 323.396 3.164 20 5 DGBDMO COc1ccc2c(c1)CC[N@@H+]([C@H]1Cc3ccc([N+](=O)[O-])cc3C1)C2 ZINC001254597918 1106110917 /nfs/dbraw/zinc/11/09/17/1106110917.db2.gz JFVBKXUADVAPEG-SFHVURJKSA-N 1 1 324.380 3.129 20 5 DGBDMO C[N@@H+](Cc1nc2ccccc2o1)[C@@H]1Cc2ccc([N+](=O)[O-])cc2C1 ZINC001254604362 1106111818 /nfs/dbraw/zinc/11/18/18/1106111818.db2.gz WDGNFJVBOMIEPL-OAHLLOKOSA-N 1 1 323.352 3.335 20 5 DGBDMO O=[N+]([O-])c1ccc2c(c1)C[C@H]([N@H+]1CCC[C@@H]1c1nccs1)C2 ZINC001254604897 1106112432 /nfs/dbraw/zinc/11/24/32/1106112432.db2.gz YFMFRGZLMOFICN-HUUCEWRRSA-N 1 1 315.398 3.356 20 5 DGBDMO O=[N+]([O-])c1ccc2c(c1)C[C@H]([N@H+]1CCc3cc(F)ccc3C1)C2 ZINC001254607705 1106112451 /nfs/dbraw/zinc/11/24/51/1106112451.db2.gz MHWYXOVADGAUEU-GOSISDBHSA-N 1 1 312.344 3.259 20 5 DGBDMO O=[N+]([O-])c1ccc2c(c1)C[C@H]([N@@H+](C1CCC1)C1CCOCC1)C2 ZINC001254611000 1106113154 /nfs/dbraw/zinc/11/31/54/1106113154.db2.gz NLGHROQMWFNXSJ-GOSISDBHSA-N 1 1 316.401 3.096 20 5 DGBDMO C[N@@H+](CCc1cccc(F)c1)[C@H]1Cc2ccc([N+](=O)[O-])cc2C1 ZINC001254611818 1106113461 /nfs/dbraw/zinc/11/34/61/1106113461.db2.gz TYZVKGZVANBHSK-SFHVURJKSA-N 1 1 314.360 3.376 20 5 DGBDMO C[N@H+](Cc1cc(F)cc(F)c1)C[C@@H](O)c1ccc([N+](=O)[O-])cc1 ZINC001320814211 1107148397 /nfs/dbraw/zinc/14/83/97/1107148397.db2.gz MFDYFVZUMVNSIW-MRXNPFEDSA-N 1 1 322.311 3.038 20 5 DGBDMO CN(C)[C@@H]1CCCC[C@@H]1[NH2+]Cc1ccc([N+](=O)[O-])c(Cl)c1 ZINC001321635723 1107398690 /nfs/dbraw/zinc/39/86/90/1107398690.db2.gz GTBUALKMGGUZIT-DZGCQCFKSA-N 1 1 311.813 3.211 20 5 DGBDMO Cc1nnsc1[C@@H](C)[NH2+][C@H](C)c1ccc(C)c([N+](=O)[O-])c1 ZINC001262238490 1107655502 /nfs/dbraw/zinc/65/55/02/1107655502.db2.gz ANXVJHNEDHTXFK-NXEZZACHSA-N 1 1 306.391 3.475 20 5 DGBDMO O=C(C[N@@H+]1CC[C@@H]2CCCC[C@H]2C1)Nc1ccccc1[N+](=O)[O-] ZINC001322738462 1107747492 /nfs/dbraw/zinc/74/74/92/1107747492.db2.gz KWRCLQAMGGUCAY-KBPBESRZSA-N 1 1 317.389 3.045 20 5 DGBDMO O=C(C[N@H+]1CC[C@@H]2CCCC[C@H]2C1)Nc1ccccc1[N+](=O)[O-] ZINC001322738462 1107747505 /nfs/dbraw/zinc/74/75/05/1107747505.db2.gz KWRCLQAMGGUCAY-KBPBESRZSA-N 1 1 317.389 3.045 20 5 DGBDMO C[C@H](c1ccccc1)[C@@H](O)C[N@@H+]1Cc2ccc([N+](=O)[O-])cc2C1 ZINC001324425026 1108282391 /nfs/dbraw/zinc/28/23/91/1108282391.db2.gz PSZGTQJJCJEXSO-ACJLOTCBSA-N 1 1 312.369 3.075 20 5 DGBDMO C[C@H](c1ccccc1)[C@@H](O)C[N@H+]1Cc2ccc([N+](=O)[O-])cc2C1 ZINC001324425026 1108282400 /nfs/dbraw/zinc/28/24/00/1108282400.db2.gz PSZGTQJJCJEXSO-ACJLOTCBSA-N 1 1 312.369 3.075 20 5 DGBDMO C[NH+](C)[C@@H]1CCCC[C@H]1N[C@H]1CCCc2ccc([N+](=O)[O-])cc21 ZINC001324761595 1108455055 /nfs/dbraw/zinc/45/50/55/1108455055.db2.gz XMEYFOPAIWDSJW-RCCFBDPRSA-N 1 1 317.433 3.435 20 5 DGBDMO Cc1ccc([N+](=O)[O-])cc1[C@H](C)N[C@@H]1CCCC[C@H]1[NH+](C)C ZINC001319762922 1108627573 /nfs/dbraw/zinc/62/75/73/1108627573.db2.gz KCMSBXTUILBGHT-IAOVAPTHSA-N 1 1 305.422 3.427 20 5 DGBDMO CCC[N@H+]1CCCC[C@@H]1C(=O)Nc1cc(C)cc([N+](=O)[O-])c1 ZINC001305601158 1111205903 /nfs/dbraw/zinc/20/59/03/1111205903.db2.gz MSMGJWWGZJPHIW-OAHLLOKOSA-N 1 1 305.378 3.106 20 5 DGBDMO C[C@@H](C(=O)Nc1ccc([N+](=O)[O-])cc1)[N@H+]1C[C@H](C)CC(C)(C)C1 ZINC001307606980 1111319325 /nfs/dbraw/zinc/31/93/25/1111319325.db2.gz VRIWXECSTVNOOT-OLZOCXBDSA-N 1 1 319.405 3.290 20 5 DGBDMO C[C@H](C(=O)Nc1ccc([N+](=O)[O-])cc1)[N@H+]1C[C@H](C)CC(C)(C)C1 ZINC001307606979 1111319541 /nfs/dbraw/zinc/31/95/41/1111319541.db2.gz VRIWXECSTVNOOT-CHWSQXEVSA-N 1 1 319.405 3.290 20 5 DGBDMO Cc1ccc2c(c1)C[N@H+](CCOc1cccc([N+](=O)[O-])c1)CC2 ZINC001307911552 1111354755 /nfs/dbraw/zinc/35/47/55/1111354755.db2.gz DRAAXOWZQZVAFL-UHFFFAOYSA-N 1 1 312.369 3.340 20 5 DGBDMO Cc1c(CN2CC[N@@H+](C3CCCC3)[C@H](C)C2)cccc1[N+](=O)[O-] ZINC001308079818 1111375535 /nfs/dbraw/zinc/37/55/35/1111375535.db2.gz PULHAUHHUDHSTL-CQSZACIVSA-N 1 1 317.433 3.352 20 5 DGBDMO CCC[C@@H]1CCC[N@H+]1CCC(=O)Nc1ccccc1[N+](=O)[O-] ZINC001308132832 1111382388 /nfs/dbraw/zinc/38/23/88/1111382388.db2.gz BNDKLXCKAKXCTJ-CYBMUJFWSA-N 1 1 305.378 3.188 20 5 DGBDMO C[C@@]12CSC[C@@H]1C[N@@H+](Cc1ccc(Cl)cc1[N+](=O)[O-])C2 ZINC001308133412 1111382570 /nfs/dbraw/zinc/38/25/70/1111382570.db2.gz GBOGOOGYOAPOBM-SMDDNHRTSA-N 1 1 312.822 3.433 20 5 DGBDMO Cc1ccc([N+](=O)[O-])c(C)c1C[N@@H+]1CC[C@@H]2[C@@H](CCC[NH+]2C)C1 ZINC001308570250 1111445887 /nfs/dbraw/zinc/44/58/87/1111445887.db2.gz KTWJHLWILSYZFU-MAUKXSAKSA-N 1 1 317.433 3.128 20 5 DGBDMO Cc1ccc([N+](=O)[O-])c(C)c1C[N@H+]1CC[C@@H]2[C@@H](CCC[NH+]2C)C1 ZINC001308570250 1111445889 /nfs/dbraw/zinc/44/58/89/1111445889.db2.gz KTWJHLWILSYZFU-MAUKXSAKSA-N 1 1 317.433 3.128 20 5 DGBDMO Cc1ccc([N+](=O)[O-])c(C)c1CN1CC[C@@H]2[C@@H](CCC[N@H+]2C)C1 ZINC001308570250 1111445892 /nfs/dbraw/zinc/44/58/92/1111445892.db2.gz KTWJHLWILSYZFU-MAUKXSAKSA-N 1 1 317.433 3.128 20 5 DGBDMO Cc1ccc([N+](=O)[O-])c(C)c1CN1CC[C@@H]2[C@@H](CCC[N@@H+]2C)C1 ZINC001308570250 1111445893 /nfs/dbraw/zinc/44/58/93/1111445893.db2.gz KTWJHLWILSYZFU-MAUKXSAKSA-N 1 1 317.433 3.128 20 5 DGBDMO Cc1ccc([N+](=O)[O-])c(C)c1C[N@@H+]1CC[C@H]2[C@@H](CCC[NH+]2C)C1 ZINC001308570252 1111445900 /nfs/dbraw/zinc/44/59/00/1111445900.db2.gz KTWJHLWILSYZFU-YJBOKZPZSA-N 1 1 317.433 3.128 20 5 DGBDMO Cc1ccc([N+](=O)[O-])c(C)c1C[N@H+]1CC[C@H]2[C@@H](CCC[NH+]2C)C1 ZINC001308570252 1111445903 /nfs/dbraw/zinc/44/59/03/1111445903.db2.gz KTWJHLWILSYZFU-YJBOKZPZSA-N 1 1 317.433 3.128 20 5 DGBDMO Cc1ccc([N+](=O)[O-])c(C)c1CN1CC[C@H]2[C@@H](CCC[N@H+]2C)C1 ZINC001308570252 1111445906 /nfs/dbraw/zinc/44/59/06/1111445906.db2.gz KTWJHLWILSYZFU-YJBOKZPZSA-N 1 1 317.433 3.128 20 5 DGBDMO Cc1ccc([N+](=O)[O-])c(C)c1CN1CC[C@H]2[C@@H](CCC[N@@H+]2C)C1 ZINC001308570252 1111445908 /nfs/dbraw/zinc/44/59/08/1111445908.db2.gz KTWJHLWILSYZFU-YJBOKZPZSA-N 1 1 317.433 3.128 20 5 DGBDMO O=[N+]([O-])c1cccc(F)c1C[NH2+][C@H](CCCO)c1ccccc1 ZINC000305778608 231053299 /nfs/dbraw/zinc/05/32/99/231053299.db2.gz QWAIQTNCTSUMRQ-MRXNPFEDSA-N 1 1 318.348 3.337 20 5 DGBDMO CC[C@@H](CO)[N@@H+](C)Cc1ccc(-c2cccc([N+](=O)[O-])c2)o1 ZINC000294677616 529504847 /nfs/dbraw/zinc/50/48/47/529504847.db2.gz AYXBYHLDZFFSMG-ZDUSSCGKSA-N 1 1 304.346 3.058 20 5 DGBDMO CCc1ccccc1[C@@H](N)C[NH2+]Cc1ccc([N+](=O)[O-])cc1C ZINC000415063523 529611480 /nfs/dbraw/zinc/61/14/80/529611480.db2.gz IKYOGFUCTAGZHB-SFHVURJKSA-N 1 1 313.401 3.255 20 5 DGBDMO CCc1ccccc1[C@H](N)C[NH2+]Cc1ccc([N+](=O)[O-])cc1C ZINC000415063522 529616992 /nfs/dbraw/zinc/61/69/92/529616992.db2.gz IKYOGFUCTAGZHB-GOSISDBHSA-N 1 1 313.401 3.255 20 5 DGBDMO CC[N@H+](Cc1cnn(C)c1)Cc1ccc(C(C)C)c([N+](=O)[O-])c1 ZINC000092437930 185318578 /nfs/dbraw/zinc/31/85/78/185318578.db2.gz BATMEFKURVSPBJ-UHFFFAOYSA-N 1 1 316.405 3.474 20 5 DGBDMO CC[N@@H+](Cc1cnn(C)c1)Cc1ccc(C(C)C)c([N+](=O)[O-])c1 ZINC000092437930 185318579 /nfs/dbraw/zinc/31/85/79/185318579.db2.gz BATMEFKURVSPBJ-UHFFFAOYSA-N 1 1 316.405 3.474 20 5 DGBDMO C[C@H](Nc1ccc([N+](=O)[O-])c2cnccc12)C1=CC[N@@H+](C)CC1 ZINC000272749460 210153756 /nfs/dbraw/zinc/15/37/56/210153756.db2.gz DUQLUXRKQHHKED-LBPRGKRZSA-N 1 1 312.373 3.205 20 5 DGBDMO Cc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@@H+]1C[C@H](C)CC1(C)C ZINC000331019572 232351401 /nfs/dbraw/zinc/35/14/01/232351401.db2.gz WQFCVJPUMVNQNO-GFCCVEGCSA-N 1 1 319.405 3.352 20 5 DGBDMO O=[N+]([O-])c1cccc(C[N@H+](Cc2cccc3nccn32)C2CC2)c1 ZINC000179694963 186206679 /nfs/dbraw/zinc/20/66/79/186206679.db2.gz CGXHAYTWOFDQQW-UHFFFAOYSA-N 1 1 322.368 3.407 20 5 DGBDMO O=[N+]([O-])c1cccc(C[N@@H+](Cc2cccc3nccn32)C2CC2)c1 ZINC000179694963 186206681 /nfs/dbraw/zinc/20/66/81/186206681.db2.gz CGXHAYTWOFDQQW-UHFFFAOYSA-N 1 1 322.368 3.407 20 5 DGBDMO O=[N+]([O-])c1ccccc1/C=C/C[NH2+]Cc1noc2c1CCCC2 ZINC000288427000 186599229 /nfs/dbraw/zinc/59/92/29/186599229.db2.gz KJKXGJJFBFRNQT-FNORWQNLSA-N 1 1 313.357 3.265 20 5 DGBDMO C[C@@H]1CCC[C@H](C)[N@@H+]1Cc1nc(-c2ccc([N+](=O)[O-])cc2)no1 ZINC000072697302 191215514 /nfs/dbraw/zinc/21/55/14/191215514.db2.gz OFMASKDVDMPXJJ-TXEJJXNPSA-N 1 1 316.361 3.408 20 5 DGBDMO CC[NH+](CC)[C@H](CNCc1csc([N+](=O)[O-])c1)c1ccco1 ZINC000236898821 202059927 /nfs/dbraw/zinc/05/99/27/202059927.db2.gz MKDIZGHXVOBUJP-CYBMUJFWSA-N 1 1 323.418 3.422 20 5 DGBDMO C[C@]1(O)CC[N@@H+](Cc2ccc(-c3ccccc3[N+](=O)[O-])s2)C1 ZINC000180190625 199128902 /nfs/dbraw/zinc/12/89/02/199128902.db2.gz GGIBOARRACIFKH-INIZCTEOSA-N 1 1 318.398 3.280 20 5 DGBDMO C[C@H](O)[C@@H]1CC[N@@H+](Cc2ccc(-c3ccc([N+](=O)[O-])cc3)o2)C1 ZINC000180855445 199218968 /nfs/dbraw/zinc/21/89/68/199218968.db2.gz TYYKGGJQOJHHKN-GXTWGEPZSA-N 1 1 316.357 3.058 20 5 DGBDMO CC[C@@]1(CO)CCC[N@H+](Cc2ccc(Cl)c([N+](=O)[O-])c2)C1 ZINC000187561095 200128395 /nfs/dbraw/zinc/12/83/95/200128395.db2.gz YBXGWNXZASVCPU-OAHLLOKOSA-N 1 1 312.797 3.233 20 5 DGBDMO CC[C@@]1(CO)CCC[N@@H+](Cc2ccc(Cl)c([N+](=O)[O-])c2)C1 ZINC000187561095 200128397 /nfs/dbraw/zinc/12/83/97/200128397.db2.gz YBXGWNXZASVCPU-OAHLLOKOSA-N 1 1 312.797 3.233 20 5 DGBDMO C[C@@H]1CCCC[N@@H+](CCC(=O)Nc2ccccc2[N+](=O)[O-])C1 ZINC000187981633 200185825 /nfs/dbraw/zinc/18/58/25/200185825.db2.gz GHTDZLLQLVGKKF-CYBMUJFWSA-N 1 1 305.378 3.045 20 5 DGBDMO O=[N+]([O-])c1ccc(CN2CC[C@@H]3[C@H](CCC[N@H+]3C3CC3)C2)cc1 ZINC000134907882 432088926 /nfs/dbraw/zinc/08/89/26/432088926.db2.gz YLBOBKAPQKBYFE-CRAIPNDOSA-N 1 1 315.417 3.044 20 5 DGBDMO Cc1[nH+]ccn1CCCn1cc(-c2cccc([N+](=O)[O-])c2)cn1 ZINC000272101765 209470132 /nfs/dbraw/zinc/47/01/32/209470132.db2.gz LSYPEOOLPYFJCO-UHFFFAOYSA-N 1 1 311.345 3.054 20 5 DGBDMO C[C@@H](c1ccccc1[N+](=O)[O-])N1CC[N@H+](C2CCC2)C[C@@H](C)C1 ZINC000429363334 238049488 /nfs/dbraw/zinc/04/94/88/238049488.db2.gz COZDRVQJQRWBAE-GJZGRUSLSA-N 1 1 317.433 3.462 20 5 DGBDMO Cc1cc([N+](=O)[O-])ccc1CN1CC[N@H+]([C@@H]2C[C@H]2C)C[C@@H](C)C1 ZINC000430129901 238068069 /nfs/dbraw/zinc/06/80/69/238068069.db2.gz VOUSUUWIWZZOMQ-JCKWVBRZSA-N 1 1 317.433 3.065 20 5 DGBDMO C[C@H]1C[C@@H](Nc2ccnc3c2cccc3[N+](=O)[O-])C[N@H+]1C1CC1 ZINC000432320655 238125102 /nfs/dbraw/zinc/12/51/02/238125102.db2.gz ALSIVSJIPFKHST-NWDGAFQWSA-N 1 1 312.373 3.180 20 5 DGBDMO C[C@H]1C[C@@H](Nc2ncc([N+](=O)[O-])s2)C[N@H+]1Cc1ccccc1 ZINC000192486476 200886734 /nfs/dbraw/zinc/88/67/34/200886734.db2.gz JWHPETSYUBTYNA-WCQYABFASA-N 1 1 318.402 3.126 20 5 DGBDMO COc1ccc(OCC[N@H+]2C[C@@H](C)CCC[C@H]2C)c([N+](=O)[O-])c1 ZINC000441448128 239052625 /nfs/dbraw/zinc/05/26/25/239052625.db2.gz OKBZJKMWSJHJDA-UONOGXRCSA-N 1 1 322.405 3.493 20 5 DGBDMO C[C@H]1CCC[C@H]([N@@H+](C)Cc2nc3cc([N+](=O)[O-])ccc3[nH]2)C1 ZINC000444590689 239302423 /nfs/dbraw/zinc/30/24/23/239302423.db2.gz MFYDDNITOHUQEU-RYUDHWBXSA-N 1 1 302.378 3.482 20 5 DGBDMO C[C@H]1CN(C/C=C\c2ccccc2[N+](=O)[O-])CC[N@H+](C2CC2)C1 ZINC000449344122 240147585 /nfs/dbraw/zinc/14/75/85/240147585.db2.gz BAMGOUFBCDOJBW-VOKGJARPSA-N 1 1 315.417 3.024 20 5 DGBDMO CCOc1ccc([N+](=O)[O-])cc1C[N@@H+]1CC[C@H](OCC)[C@@H](C)C1 ZINC000449495970 240246262 /nfs/dbraw/zinc/24/62/62/240246262.db2.gz PDQOAIBGEHCSOV-BBRMVZONSA-N 1 1 322.405 3.240 20 5 DGBDMO O=[N+]([O-])c1ccc([C@H]2CCC[N@@H+](C[C@@H]3CCCOC3)C2)cc1 ZINC000449499643 240247984 /nfs/dbraw/zinc/24/79/84/240247984.db2.gz MJSVVWOCZXBIRC-HOCLYGCPSA-N 1 1 304.390 3.201 20 5 DGBDMO COCC(C)(C)C[N@H+]1CCC[C@@H](c2ccc([N+](=O)[O-])cc2)C1 ZINC000449502377 240251639 /nfs/dbraw/zinc/25/16/39/240251639.db2.gz RNRIGIMDLKXEHB-OAHLLOKOSA-N 1 1 306.406 3.447 20 5 DGBDMO Cc1n[nH]c(C)c1C[N@H+]1CCC[C@@H](c2ccc([N+](=O)[O-])cc2)C1 ZINC000449506973 240255654 /nfs/dbraw/zinc/25/56/54/240255654.db2.gz ZVLXYHFDFHZVQF-OAHLLOKOSA-N 1 1 314.389 3.314 20 5 DGBDMO O=[N+]([O-])c1ccccc1/C=C\C[N@H+]1CC[C@@H]2C[C@H](O)CC[C@H]2C1 ZINC000449557068 240287352 /nfs/dbraw/zinc/28/73/52/240287352.db2.gz UETIWQGXUWGIEH-YZUVHJKWSA-N 1 1 316.401 3.091 20 5 DGBDMO CC(C)(C)OC(=O)CC[N@@H+](Cc1ccccc1[N+](=O)[O-])C1CC1 ZINC000135237914 432106792 /nfs/dbraw/zinc/10/67/92/432106792.db2.gz QEJRTXGGTJIKGN-UHFFFAOYSA-N 1 1 320.389 3.291 20 5 DGBDMO CC[C@H]1CC[N@@H+](Cc2cn(C)nc2-c2ccc([N+](=O)[O-])cc2)C1 ZINC000091929199 193128317 /nfs/dbraw/zinc/12/83/17/193128317.db2.gz MNDIQLNYEPWGOO-ZDUSSCGKSA-N 1 1 314.389 3.227 20 5 DGBDMO Cc1cc(N2CCC[C@H](c3ccc([N+](=O)[O-])cc3)C2)nc(C)[nH+]1 ZINC000450771545 240860929 /nfs/dbraw/zinc/86/09/29/240860929.db2.gz YUHMIVQWBDTAPV-HNNXBMFYSA-N 1 1 312.373 3.386 20 5 DGBDMO O=[N+]([O-])c1ccc([C@@H]2CCC[N@@H+](CC[C@H]3CCCO3)C2)cc1 ZINC000451544409 241163898 /nfs/dbraw/zinc/16/38/98/241163898.db2.gz FFRUPPDNNBQICH-NVXWUHKLSA-N 1 1 304.390 3.343 20 5 DGBDMO C[NH+]1CCC[C@H]1CC[N@H+]1CCC[C@@H](c2ccc([N+](=O)[O-])cc2)C1 ZINC000451543775 241165389 /nfs/dbraw/zinc/16/53/89/241165389.db2.gz CRQLBOKWMBNBTN-SJORKVTESA-N 1 1 317.433 3.259 20 5 DGBDMO C[N@@H+]1CCC[C@H]1CCN1CCC[C@@H](c2ccc([N+](=O)[O-])cc2)C1 ZINC000451543775 241165394 /nfs/dbraw/zinc/16/53/94/241165394.db2.gz CRQLBOKWMBNBTN-SJORKVTESA-N 1 1 317.433 3.259 20 5 DGBDMO C[N@H+]1CCC[C@H]1CCN1CCC[C@@H](c2ccc([N+](=O)[O-])cc2)C1 ZINC000451543775 241165398 /nfs/dbraw/zinc/16/53/98/241165398.db2.gz CRQLBOKWMBNBTN-SJORKVTESA-N 1 1 317.433 3.259 20 5 DGBDMO Cc1nnc([C@H](C)[N@@H+]2CCC[C@H](c3ccc([N+](=O)[O-])cc3)C2)o1 ZINC000451547191 241169668 /nfs/dbraw/zinc/16/96/68/241169668.db2.gz KMLCMNONPRHYSX-FZMZJTMJSA-N 1 1 316.361 3.227 20 5 DGBDMO Cc1nnc([C@H](C)[N@H+]2CCC[C@H](c3ccc([N+](=O)[O-])cc3)C2)o1 ZINC000451547191 241169672 /nfs/dbraw/zinc/16/96/72/241169672.db2.gz KMLCMNONPRHYSX-FZMZJTMJSA-N 1 1 316.361 3.227 20 5 DGBDMO O=[N+]([O-])c1ccc([C@@H]2CCC[N@@H+](C[C@@H]3CCCCO3)C2)cc1 ZINC000451559596 241175093 /nfs/dbraw/zinc/17/50/93/241175093.db2.gz HHKWTVDJBMPVLV-WBVHZDCISA-N 1 1 304.390 3.343 20 5 DGBDMO C[C@H](c1cccc([N+](=O)[O-])c1)[N@H+]1CC[C@@H]2C[C@@H](O)CC[C@H]2C1 ZINC000451701975 241211753 /nfs/dbraw/zinc/21/17/53/241211753.db2.gz HZCUGLCIKKHQLT-UTXMOHQDSA-N 1 1 304.390 3.139 20 5 DGBDMO Cc1cc([N+](=O)[O-])ccc1NC(=O)C[N@H+]1[C@H](C)CCC1(C)C ZINC000452005720 241297134 /nfs/dbraw/zinc/29/71/34/241297134.db2.gz KIPJYSSUUBCDCQ-GFCCVEGCSA-N 1 1 305.378 3.105 20 5 DGBDMO CC(C)CC[C@H]1CCC[N@H+]1Cc1ccc(C(N)=O)cc1[N+](=O)[O-] ZINC000135305488 432111125 /nfs/dbraw/zinc/11/11/25/432111125.db2.gz QZHMKKCKZLSRTC-OAHLLOKOSA-N 1 1 319.405 3.094 20 5 DGBDMO COc1ccc(C[N@H+](C)[C@@H](C)c2cccnc2)cc1[N+](=O)[O-] ZINC000171240297 432115621 /nfs/dbraw/zinc/11/56/21/432115621.db2.gz KWWOEFKLOZEQJP-LBPRGKRZSA-N 1 1 301.346 3.191 20 5 DGBDMO COc1ccc(C[N@@H+](C)[C@@H](C)c2cccnc2)cc1[N+](=O)[O-] ZINC000171240297 432115625 /nfs/dbraw/zinc/11/56/25/432115625.db2.gz KWWOEFKLOZEQJP-LBPRGKRZSA-N 1 1 301.346 3.191 20 5 DGBDMO Cn1cc(C[N@@H+](C)CC(C)(C)C)c(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000092217582 193174818 /nfs/dbraw/zinc/17/48/18/193174818.db2.gz GFXMOEAGGYCNGG-UHFFFAOYSA-N 1 1 316.405 3.473 20 5 DGBDMO O=[N+]([O-])c1cccc(C[N@@H+](CCn2cc(Cl)cn2)C2CC2)c1 ZINC000459342343 243342145 /nfs/dbraw/zinc/34/21/45/243342145.db2.gz DWHJFGZWENOMSB-UHFFFAOYSA-N 1 1 320.780 3.109 20 5 DGBDMO CCCC[N@H+](C)CCNC/C(C)=C\c1cccc([N+](=O)[O-])c1 ZINC000468627931 244056213 /nfs/dbraw/zinc/05/62/13/244056213.db2.gz HTLYAZLLWDBTDW-QINSGFPZSA-N 1 1 305.422 3.320 20 5 DGBDMO CCCC[N@@H+](C)CCNC/C(C)=C\c1cccc([N+](=O)[O-])c1 ZINC000468627931 244056217 /nfs/dbraw/zinc/05/62/17/244056217.db2.gz HTLYAZLLWDBTDW-QINSGFPZSA-N 1 1 305.422 3.320 20 5 DGBDMO CC[C@@H]1CO[C@@H](C)C[N@@H+]1C/C(C)=C/c1cccc([N+](=O)[O-])c1 ZINC000470174830 244153463 /nfs/dbraw/zinc/15/34/63/244153463.db2.gz WHJCAXIEPWUWJZ-XLQKBUROSA-N 1 1 304.390 3.497 20 5 DGBDMO CC[C@@H]1CO[C@@H](C)C[N@H+]1C/C(C)=C/c1cccc([N+](=O)[O-])c1 ZINC000470174830 244153472 /nfs/dbraw/zinc/15/34/72/244153472.db2.gz WHJCAXIEPWUWJZ-XLQKBUROSA-N 1 1 304.390 3.497 20 5 DGBDMO CC[C@H](O)[C@H]1CCCC[N@H+]1Cc1c(Cl)cccc1[N+](=O)[O-] ZINC000119196764 284137386 /nfs/dbraw/zinc/13/73/86/284137386.db2.gz VNWYDOXOCMOYIA-CABCVRRESA-N 1 1 312.797 3.374 20 5 DGBDMO CC[C@@H](O)[C@H]1CCCC[N@H+]1Cc1c(Cl)cccc1[N+](=O)[O-] ZINC000119196877 284137434 /nfs/dbraw/zinc/13/74/34/284137434.db2.gz VNWYDOXOCMOYIA-HUUCEWRRSA-N 1 1 312.797 3.374 20 5 DGBDMO C[N@H+]1CCC[C@H]2CN(Cc3c(Cl)cccc3[N+](=O)[O-])CC[C@@H]21 ZINC000119359763 284141372 /nfs/dbraw/zinc/14/13/72/284141372.db2.gz NKUJGQYPMXWKQL-WFASDCNBSA-N 1 1 323.824 3.164 20 5 DGBDMO C[C@H](c1cccnc1)[N@@H+](C)CCCOc1ccc([N+](=O)[O-])cc1 ZINC000093236690 193220095 /nfs/dbraw/zinc/22/00/95/193220095.db2.gz XGAXOHZYKQQTSB-CQSZACIVSA-N 1 1 315.373 3.452 20 5 DGBDMO CCOC[C@H]1CCC[N@@H+](C/C=C/c2ccccc2[N+](=O)[O-])C1 ZINC000093418972 193247746 /nfs/dbraw/zinc/24/77/46/193247746.db2.gz ZHJFSHLQYXTOSC-PPYMECGQSA-N 1 1 304.390 3.357 20 5 DGBDMO COCC[N@@H+](Cc1ccc([N+](=O)[O-])cc1F)[C@@H]1CCC[C@H]1C ZINC000488059536 245140868 /nfs/dbraw/zinc/14/08/68/245140868.db2.gz BYILMPXJJSMNBS-MLGOLLRUSA-N 1 1 310.369 3.371 20 5 DGBDMO CCC1CCC([N@@H+](CCO)Cc2cccc([N+](=O)[O-])c2)CC1 ZINC000488188025 245158697 /nfs/dbraw/zinc/15/86/97/245158697.db2.gz UXZBJIHTZQRREZ-UHFFFAOYSA-N 1 1 306.406 3.358 20 5 DGBDMO C[C@@H]1[C@H](Nc2ncc([N+](=O)[O-])s2)CC[N@H+]1Cc1ccccc1 ZINC000288225970 220028900 /nfs/dbraw/zinc/02/89/00/220028900.db2.gz NEAFHKUQKXKFAX-DGCLKSJQSA-N 1 1 318.402 3.126 20 5 DGBDMO C[C@@H](c1nc(C2CC2)no1)[N@H+](C)CCc1cccc([N+](=O)[O-])c1 ZINC000282509998 217049765 /nfs/dbraw/zinc/04/97/65/217049765.db2.gz RXCAQJUGNUMLAP-NSHDSACASA-N 1 1 316.361 3.091 20 5 DGBDMO C[C@@H](c1nc(C2CC2)no1)[N@@H+](C)CCc1cccc([N+](=O)[O-])c1 ZINC000282509998 217049769 /nfs/dbraw/zinc/04/97/69/217049769.db2.gz RXCAQJUGNUMLAP-NSHDSACASA-N 1 1 316.361 3.091 20 5 DGBDMO C[C@@H]1CC[C@@](CO)([N@H+](C)Cc2c(Cl)cccc2[N+](=O)[O-])C1 ZINC000495243455 246250739 /nfs/dbraw/zinc/25/07/39/246250739.db2.gz YAFUUQARGXBMIX-IAQYHMDHSA-N 1 1 312.797 3.231 20 5 DGBDMO C[C@@H]1CC[C@@](CO)([N@@H+](C)Cc2c(Cl)cccc2[N+](=O)[O-])C1 ZINC000495243455 246250742 /nfs/dbraw/zinc/25/07/42/246250742.db2.gz YAFUUQARGXBMIX-IAQYHMDHSA-N 1 1 312.797 3.231 20 5 DGBDMO Cc1cc(Cl)nc(C[NH2+][C@@H](C)c2ccc(N)c([N+](=O)[O-])c2)c1 ZINC000285163151 218315780 /nfs/dbraw/zinc/31/57/80/218315780.db2.gz MRCVNXOMAMRTQL-JTQLQIEISA-N 1 1 320.780 3.385 20 5 DGBDMO COCCc1cc[nH+]c(NCc2ccc([N+](=O)[O-])cc2Cl)c1 ZINC000285214979 218335886 /nfs/dbraw/zinc/33/58/86/218335886.db2.gz PKEZHVIAINDNFD-UHFFFAOYSA-N 1 1 321.764 3.444 20 5 DGBDMO O=C(C[N@H+]1CCC[C@H]1C1CCCC1)Nc1ccccc1[N+](=O)[O-] ZINC000055928081 184001181 /nfs/dbraw/zinc/00/11/81/184001181.db2.gz MADXTJWZDVINRL-HNNXBMFYSA-N 1 1 317.389 3.188 20 5 DGBDMO O=[N+]([O-])c1ccc(OCC[N@H+]2CCc3sccc3C2)cc1 ZINC000065532659 184361644 /nfs/dbraw/zinc/36/16/44/184361644.db2.gz GXQYEOXZIBJNLJ-UHFFFAOYSA-N 1 1 304.371 3.093 20 5 DGBDMO C[C@@H]1C[C@@H]2CCCC[C@H]2[N@H+]1C[C@@H](O)c1cccc([N+](=O)[O-])c1 ZINC000269626942 207695320 /nfs/dbraw/zinc/69/53/20/207695320.db2.gz DCMQSUGNNIYSBJ-DLTLXFJOSA-N 1 1 304.390 3.281 20 5 DGBDMO C[NH+](C)[C@@H]1CCC[C@H](N[C@H]2CCCc3ccc([N+](=O)[O-])cc32)C1 ZINC000248883077 285035601 /nfs/dbraw/zinc/03/56/01/285035601.db2.gz LFZVMUDPNBYCSS-DAYGRLMNSA-N 1 1 317.433 3.435 20 5 DGBDMO COc1ccc(OCC[N@@H+](C)C2CCCCC2)c([N+](=O)[O-])c1 ZINC000441193200 533013768 /nfs/dbraw/zinc/01/37/68/533013768.db2.gz HGLHERVCCAPEAA-UHFFFAOYSA-N 1 1 308.378 3.247 20 5 DGBDMO C[C@@H]1C[C@H](Nc2ccc([N+](=O)[O-])c3ncccc23)CC[N@H+]1C ZINC000336854810 253008525 /nfs/dbraw/zinc/00/85/25/253008525.db2.gz RTLFJRGMBOPLKN-VXGBXAGGSA-N 1 1 300.362 3.038 20 5 DGBDMO CC1=CC[N@@H+](CCc2ncc(-c3cccc([N+](=O)[O-])c3)o2)CC1 ZINC000270126193 208184053 /nfs/dbraw/zinc/18/40/53/208184053.db2.gz GLIABZRGJLTUTK-UHFFFAOYSA-N 1 1 313.357 3.444 20 5 DGBDMO CC(C)(C)CCC[N@H+]1CC[C@@H](Nc2ccc([N+](=O)[O-])cn2)C1 ZINC000337192363 253059883 /nfs/dbraw/zinc/05/98/83/253059883.db2.gz UQSKYAZGRRJQCY-CYBMUJFWSA-N 1 1 306.410 3.302 20 5 DGBDMO C[C@@H]1C[C@H](C)CC[N@@H+](CCC(=O)Nc2ccccc2[N+](=O)[O-])C1 ZINC000337318906 253085914 /nfs/dbraw/zinc/08/59/14/253085914.db2.gz NFVPUDKIDQTHEK-ZIAGYGMSSA-N 1 1 319.405 3.291 20 5 DGBDMO C[C@H](C1CC1)[N@@H+](CCC(=O)Nc1ccccc1[N+](=O)[O-])C1CC1 ZINC000337321753 253087169 /nfs/dbraw/zinc/08/71/69/253087169.db2.gz CNXNCGFXIZQJPF-GFCCVEGCSA-N 1 1 317.389 3.186 20 5 DGBDMO CC[N@@H+](CCC(=O)Nc1ccccc1[N+](=O)[O-])[C@H](C)C(C)C ZINC000337345176 253092425 /nfs/dbraw/zinc/09/24/25/253092425.db2.gz ZYWAXVGEWUUMDD-CYBMUJFWSA-N 1 1 307.394 3.290 20 5 DGBDMO Cc1cccc2nc(C[N@@H+](C)CCc3cccc([N+](=O)[O-])c3)cn21 ZINC000338375374 253275947 /nfs/dbraw/zinc/27/59/47/253275947.db2.gz DRRBOWHXJDYQHQ-UHFFFAOYSA-N 1 1 324.384 3.225 20 5 DGBDMO Cc1nccn1CCCC[N@H+](C)CCc1cccc([N+](=O)[O-])c1 ZINC000338344349 253269483 /nfs/dbraw/zinc/26/94/83/253269483.db2.gz BWAISHOKLYXUIH-UHFFFAOYSA-N 1 1 316.405 3.054 20 5 DGBDMO CCOc1cc(C[NH2+][C@H](C)c2ccncc2F)ccc1[N+](=O)[O-] ZINC000338356223 253271690 /nfs/dbraw/zinc/27/16/90/253271690.db2.gz LQRNPORMJRWBGG-LLVKDONJSA-N 1 1 319.336 3.378 20 5 DGBDMO Cc1nc2ccccn2c1C[N@@H+](C)CCc1cccc([N+](=O)[O-])c1 ZINC000338360762 253272660 /nfs/dbraw/zinc/27/26/60/253272660.db2.gz OWSYADGIJMRRQY-UHFFFAOYSA-N 1 1 324.384 3.225 20 5 DGBDMO C[N@H+](CCc1cccc([N+](=O)[O-])c1)Cc1ccncc1Cl ZINC000338370024 253275054 /nfs/dbraw/zinc/27/50/54/253275054.db2.gz YJYQXPRPLYNZKB-UHFFFAOYSA-N 1 1 305.765 3.318 20 5 DGBDMO C[N@@H+](CCc1cccc([N+](=O)[O-])c1)Cc1ccncc1Cl ZINC000338370024 253275056 /nfs/dbraw/zinc/27/50/56/253275056.db2.gz YJYQXPRPLYNZKB-UHFFFAOYSA-N 1 1 305.765 3.318 20 5 DGBDMO Cc1cc(NC[C@H]2CC[N@H+](C)C2)c([N+](=O)[O-])cc1C(F)(F)F ZINC000338664477 253330066 /nfs/dbraw/zinc/33/00/66/253330066.db2.gz NIHHCYNOUHRJHE-SNVBAGLBSA-N 1 1 317.311 3.286 20 5 DGBDMO Cc1[nH+]ccn1-c1ccccc1CNc1ncc(C)cc1[N+](=O)[O-] ZINC000338715272 253340671 /nfs/dbraw/zinc/34/06/71/253340671.db2.gz FWDFCRXMLBPFKZ-UHFFFAOYSA-N 1 1 323.356 3.404 20 5 DGBDMO C[C@H](c1cccc([N+](=O)[O-])c1)[N@H+]1CCC[C@H](n2cccn2)C1 ZINC000338728658 253342910 /nfs/dbraw/zinc/34/29/10/253342910.db2.gz ZSIUDVHDEGTNNH-CJNGLKHVSA-N 1 1 300.362 3.189 20 5 DGBDMO Cc1cccn2c(C[N@@H+](C)CCc3cccc([N+](=O)[O-])c3)cnc12 ZINC000338953074 253377786 /nfs/dbraw/zinc/37/77/86/253377786.db2.gz CQPHYPNYJNGVIZ-UHFFFAOYSA-N 1 1 324.384 3.225 20 5 DGBDMO Cc1cccc(OCC[N@@H+](C)Cc2cc([O-])ccc2[N+](=O)[O-])c1 ZINC000338891203 253364809 /nfs/dbraw/zinc/36/48/09/253364809.db2.gz FCDZJYPZYMJMSJ-UHFFFAOYSA-N 1 1 316.357 3.120 20 5 DGBDMO Cc1cccc(OCC[N@H+](C)Cc2cc([O-])ccc2[N+](=O)[O-])c1 ZINC000338891203 253364811 /nfs/dbraw/zinc/36/48/11/253364811.db2.gz FCDZJYPZYMJMSJ-UHFFFAOYSA-N 1 1 316.357 3.120 20 5 DGBDMO O=[N+]([O-])c1cccc(Cl)c1C[N@@H+]1CCC[C@@H]1[C@H]1CCC[C@@H]1O ZINC000336860280 285153344 /nfs/dbraw/zinc/15/33/44/285153344.db2.gz PKHFOFZJNCERQB-XFJVYGCCSA-N 1 1 324.808 3.374 20 5 DGBDMO O=[N+]([O-])c1cccc(Cl)c1C[N@@H+]1CC2(CCC2)[C@@H]2COC[C@@H]21 ZINC000459773528 285153719 /nfs/dbraw/zinc/15/37/19/285153719.db2.gz PRBOCWKHOWGSED-DOMZBBRYSA-N 1 1 322.792 3.249 20 5 DGBDMO O=[N+]([O-])c1cccc(Cl)c1C[N@H+]1CC2(CCC2)[C@@H]2COC[C@@H]21 ZINC000459773528 285153725 /nfs/dbraw/zinc/15/37/25/285153725.db2.gz PRBOCWKHOWGSED-DOMZBBRYSA-N 1 1 322.792 3.249 20 5 DGBDMO CC[N@H+]1CCCC[C@@H]1CNc1ccc2ncccc2c1[N+](=O)[O-] ZINC000343262022 254121433 /nfs/dbraw/zinc/12/14/33/254121433.db2.gz VRXURFLZYXLVAJ-CYBMUJFWSA-N 1 1 314.389 3.429 20 5 DGBDMO C[C@@H]1[C@H](Nc2ccc3ncccc3c2[N+](=O)[O-])CCC[N@H+]1C ZINC000343424069 254141593 /nfs/dbraw/zinc/14/15/93/254141593.db2.gz CIDIWZACOJMOLC-DGCLKSJQSA-N 1 1 300.362 3.038 20 5 DGBDMO CC[C@@H](C)C[N@@H+](CC)[C@H]1CCN(c2cccc([N+](=O)[O-])c2)C1=O ZINC000343676490 254176212 /nfs/dbraw/zinc/17/62/12/254176212.db2.gz AHTHOWWKEDROPD-CJNGLKHVSA-N 1 1 319.405 3.068 20 5 DGBDMO CCOC(=O)CC(C)(C)[N@@H+](C)Cc1cccc([N+](=O)[O-])c1C ZINC000343886763 254199958 /nfs/dbraw/zinc/19/99/58/254199958.db2.gz LFDQBZCMFDSMRQ-UHFFFAOYSA-N 1 1 308.378 3.067 20 5 DGBDMO CC[C@]1(C)CC[N@@H+](CCC(=O)Nc2cccc([N+](=O)[O-])c2C)C1 ZINC000344293927 254252352 /nfs/dbraw/zinc/25/23/52/254252352.db2.gz YWRDKEMURMVGJK-QGZVFWFLSA-N 1 1 319.405 3.354 20 5 DGBDMO C[C@H](C(=O)Nc1ccccc1[N+](=O)[O-])[N@@H+](C)C[C@@H]1CC=CCC1 ZINC000344061832 254219523 /nfs/dbraw/zinc/21/95/23/254219523.db2.gz MUORRQJMYLGXTL-ZIAGYGMSSA-N 1 1 317.389 3.210 20 5 DGBDMO CC[C@]1(C)CC[N@@H+](Cc2nc(-c3ccc([N+](=O)[O-])cc3)no2)C1 ZINC000344275488 254249239 /nfs/dbraw/zinc/24/92/39/254249239.db2.gz SVZQGLRSLNGHJF-MRXNPFEDSA-N 1 1 316.361 3.267 20 5 DGBDMO C[N@@H+](CCCOc1ccc([N+](=O)[O-])cc1)CCC1CCOCC1 ZINC000120365664 195152714 /nfs/dbraw/zinc/15/27/14/195152714.db2.gz XJLQQUYMBSZLGL-UHFFFAOYSA-N 1 1 322.405 3.112 20 5 DGBDMO Cc1cc(C2CC[NH+](Cc3cccc([N+](=O)[O-])c3)CC2)n[nH]1 ZINC000271605255 209053273 /nfs/dbraw/zinc/05/32/73/209053273.db2.gz JASSTUODFUVHAK-UHFFFAOYSA-N 1 1 300.362 3.006 20 5 DGBDMO COc1ccc([N+](=O)[O-])cc1C[N@H+]1CCSC(C)(C)CC1 ZINC000434710930 533218408 /nfs/dbraw/zinc/21/84/08/533218408.db2.gz KWZOHTIWRRFYOY-UHFFFAOYSA-N 1 1 310.419 3.321 20 5 DGBDMO O=[N+]([O-])c1ccccc1C[N@@H+]1CC2(CCC2)[C@H]1[C@@H]1CCCO1 ZINC000289647210 221127657 /nfs/dbraw/zinc/12/76/57/221127657.db2.gz SUULGFDOTCJORI-JKSUJKDBSA-N 1 1 302.374 3.128 20 5 DGBDMO O=[N+]([O-])c1ccccc1C[N@H+]1CC2(CCC2)[C@H]1[C@@H]1CCCO1 ZINC000289647210 221127659 /nfs/dbraw/zinc/12/76/59/221127659.db2.gz SUULGFDOTCJORI-JKSUJKDBSA-N 1 1 302.374 3.128 20 5 DGBDMO O=[N+]([O-])c1ccc(CC[N@H+]2CC3(CCC3)[C@@H]2[C@H]2CCCO2)cc1 ZINC000289661896 221137242 /nfs/dbraw/zinc/13/72/42/221137242.db2.gz UJQJMLCJZHETET-SJORKVTESA-N 1 1 316.401 3.171 20 5 DGBDMO Cc1ccc([N+](=O)[O-])c(C)c1NC(=O)N[C@H](C)C[N@H+](C)C(C)C ZINC000290037889 221394684 /nfs/dbraw/zinc/39/46/84/221394684.db2.gz SHPRPCOMNJREAN-GFCCVEGCSA-N 1 1 322.409 3.062 20 5 DGBDMO C/C(=C/c1cccc([N+](=O)[O-])c1)C[N@@H+]1CCO[C@@H]2CCC[C@H]21 ZINC000470179275 533382677 /nfs/dbraw/zinc/38/26/77/533382677.db2.gz VPBFVVVSTWEJFO-YVYLTUATSA-N 1 1 302.374 3.251 20 5 DGBDMO C/C(=C/c1cccc([N+](=O)[O-])c1)C[N@H+]1CCO[C@@H]2CCC[C@H]21 ZINC000470179275 533382683 /nfs/dbraw/zinc/38/26/83/533382683.db2.gz VPBFVVVSTWEJFO-YVYLTUATSA-N 1 1 302.374 3.251 20 5 DGBDMO C/C(=C/c1cccc([N+](=O)[O-])c1)C[N@H+](C)[C@@H](C)c1cnn(C)c1 ZINC000470203261 533383625 /nfs/dbraw/zinc/38/36/25/533383625.db2.gz PMBTZDNZAVEMTE-MQJVFOOVSA-N 1 1 314.389 3.425 20 5 DGBDMO C/C(=C/c1cccc([N+](=O)[O-])c1)C[N@H+](C)[C@H](C)c1cnn(C)c1 ZINC000470203262 533383724 /nfs/dbraw/zinc/38/37/24/533383724.db2.gz PMBTZDNZAVEMTE-YLHGKKIISA-N 1 1 314.389 3.425 20 5 DGBDMO C/C(=C\c1cccc([N+](=O)[O-])c1)CN1CCC[N@H+](C(C)C)CC1 ZINC000470172900 533406667 /nfs/dbraw/zinc/40/66/67/533406667.db2.gz FDVFUWQEQDSQFW-FOWTUZBSSA-N 1 1 317.433 3.414 20 5 DGBDMO O=[N+]([O-])c1cccc(Cl)c1N1CCC[C@@H](c2[nH]cc[nH+]2)C1 ZINC000292412289 296510736 /nfs/dbraw/zinc/51/07/36/296510736.db2.gz DSHISLOUAOYIDG-SNVBAGLBSA-N 1 1 306.753 3.355 20 5 DGBDMO COc1cc([N+](=O)[O-])ccc1[C@@H](C)[NH2+]Cc1cccc(O)c1 ZINC000595041976 400085708 /nfs/dbraw/zinc/08/57/08/400085708.db2.gz RROCDKVPQOCBRZ-LLVKDONJSA-N 1 1 302.330 3.160 20 5 DGBDMO COc1cc([N+](=O)[O-])ccc1[C@@H](C)N[C@H]1CC[N@H+](C(C)(C)C)C1 ZINC000595056569 400092502 /nfs/dbraw/zinc/09/25/02/400092502.db2.gz MIBKTMMGCBCJRO-OLZOCXBDSA-N 1 1 321.421 3.127 20 5 DGBDMO COc1cc([N+](=O)[O-])ccc1[C@@H](C)[NH2+][C@H]1CCN(C(C)(C)C)C1 ZINC000595056569 400092508 /nfs/dbraw/zinc/09/25/08/400092508.db2.gz MIBKTMMGCBCJRO-OLZOCXBDSA-N 1 1 321.421 3.127 20 5 DGBDMO O=[N+]([O-])c1ccc(-c2nc(Cn3cc[nH+]c3C3CC3)co2)cc1 ZINC000600611038 400106714 /nfs/dbraw/zinc/10/67/14/400106714.db2.gz KNTTUKYKERZASF-UHFFFAOYSA-N 1 1 310.313 3.372 20 5 DGBDMO C[C@H]([NH2+][C@H]1CCCCc2ccc([N+](=O)[O-])cc21)c1nccn1C ZINC000595105354 400108077 /nfs/dbraw/zinc/10/80/77/400108077.db2.gz DTBXGPUULMWRIT-LRDDRELGSA-N 1 1 314.389 3.447 20 5 DGBDMO CC(C)[N@H+](Cc1nnc(-c2ccc([N+](=O)[O-])cc2)o1)CC1CC1 ZINC000584854529 400117073 /nfs/dbraw/zinc/11/70/73/400117073.db2.gz YSYDLEVVXAATGA-UHFFFAOYSA-N 1 1 316.361 3.265 20 5 DGBDMO Cc1noc(C[N@H+]2CCC[C@H]2CCc2ccccc2)c1[N+](=O)[O-] ZINC000595295545 400119937 /nfs/dbraw/zinc/11/99/37/400119937.db2.gz GXXCAAAFOIFEEM-HNNXBMFYSA-N 1 1 315.373 3.488 20 5 DGBDMO O=[N+]([O-])c1cc(Cl)ccc1N1CCC[C@H](c2[nH]cc[nH+]2)C1 ZINC000091479641 400123059 /nfs/dbraw/zinc/12/30/59/400123059.db2.gz RYWSLXYYLBWAHJ-JTQLQIEISA-N 1 1 306.753 3.355 20 5 DGBDMO Cc1noc(C[N@H+]2CCC[C@H](Cc3ccccc3)C2)c1[N+](=O)[O-] ZINC000595318719 400125374 /nfs/dbraw/zinc/12/53/74/400125374.db2.gz VMFCIBFKRNVJCL-OAHLLOKOSA-N 1 1 315.373 3.346 20 5 DGBDMO Cc1noc(C[N@H+]2CC[C@H](c3ccc(F)cc3)C2)c1[N+](=O)[O-] ZINC000595338203 400131133 /nfs/dbraw/zinc/13/11/33/400131133.db2.gz HERWCDIDEWGRNZ-LBPRGKRZSA-N 1 1 305.309 3.020 20 5 DGBDMO Cn1cccc1[C@@H]1CCC[N@@H+]1Cc1ccc(F)cc1[N+](=O)[O-] ZINC000595350768 400133616 /nfs/dbraw/zinc/13/36/16/400133616.db2.gz KPZMRSIKHZFKBH-HNNXBMFYSA-N 1 1 303.337 3.410 20 5 DGBDMO Cn1cccc1[C@@H]1CCC[N@H+]1Cc1ccc(F)cc1[N+](=O)[O-] ZINC000595350768 400133622 /nfs/dbraw/zinc/13/36/22/400133622.db2.gz KPZMRSIKHZFKBH-HNNXBMFYSA-N 1 1 303.337 3.410 20 5 DGBDMO C[C@H]([NH2+]Cc1nn(C)c2ccccc12)c1cccc([N+](=O)[O-])c1 ZINC000608982438 400135702 /nfs/dbraw/zinc/13/57/02/400135702.db2.gz GSDSTORMQVPWKU-LBPRGKRZSA-N 1 1 310.357 3.332 20 5 DGBDMO CO[C@H](C[N@@H+](Cc1ccccc1[N+](=O)[O-])C1CC1)C1CCC1 ZINC000595387050 400138359 /nfs/dbraw/zinc/13/83/59/400138359.db2.gz NGIQGUZLQNITPP-QGZVFWFLSA-N 1 1 304.390 3.374 20 5 DGBDMO C[C@@H]1CC[N@H+](Cc2ccc(F)cc2[N+](=O)[O-])C[C@H]1n1ccnc1 ZINC000595396190 400139726 /nfs/dbraw/zinc/13/97/26/400139726.db2.gz YYPOWEAJPQFWKP-MLGOLLRUSA-N 1 1 318.352 3.014 20 5 DGBDMO C[C@@H]1CC[N@@H+](Cc2ccc(F)cc2[N+](=O)[O-])C[C@H]1n1ccnc1 ZINC000595396190 400139731 /nfs/dbraw/zinc/13/97/31/400139731.db2.gz YYPOWEAJPQFWKP-MLGOLLRUSA-N 1 1 318.352 3.014 20 5 DGBDMO O=[N+]([O-])c1cc(F)ccc1C[NH+]1CCC2(CC2(F)F)CC1 ZINC000595557395 400186443 /nfs/dbraw/zinc/18/64/43/400186443.db2.gz IDIXNARXXCHPLE-UHFFFAOYSA-N 1 1 300.280 3.355 20 5 DGBDMO C[C@H]([NH2+]Cc1cnn(C(C)(C)C)c1)c1ccccc1[N+](=O)[O-] ZINC000595427082 400147261 /nfs/dbraw/zinc/14/72/61/400147261.db2.gz XEIJCKIAIBDEFT-LBPRGKRZSA-N 1 1 302.378 3.397 20 5 DGBDMO Cc1noc(C[N@H+]2CCC[C@]2(C)Cc2ccccc2)c1[N+](=O)[O-] ZINC000595436990 400150176 /nfs/dbraw/zinc/15/01/76/400150176.db2.gz BYEQQQNFFPWBLL-QGZVFWFLSA-N 1 1 315.373 3.488 20 5 DGBDMO Cc1noc(C[N@@H+](C)[C@@H](C)Cc2ccccc2C)c1[N+](=O)[O-] ZINC000595459989 400158071 /nfs/dbraw/zinc/15/80/71/400158071.db2.gz BSVLCVIJBVPSCE-LBPRGKRZSA-N 1 1 303.362 3.263 20 5 DGBDMO Cc1noc(C[N@H+](C)[C@@H](C)Cc2ccccc2C)c1[N+](=O)[O-] ZINC000595459989 400158074 /nfs/dbraw/zinc/15/80/74/400158074.db2.gz BSVLCVIJBVPSCE-LBPRGKRZSA-N 1 1 303.362 3.263 20 5 DGBDMO Cc1noc(C[NH+]2CCC(F)(c3ccccc3)CC2)c1[N+](=O)[O-] ZINC000595480051 400164179 /nfs/dbraw/zinc/16/41/79/400164179.db2.gz HOXRBCZEPIFGEY-UHFFFAOYSA-N 1 1 319.336 3.352 20 5 DGBDMO CCn1ccc(C[N@@H+](C)CCCOc2ccc([N+](=O)[O-])cc2)c1 ZINC000616785300 400222358 /nfs/dbraw/zinc/22/23/58/400222358.db2.gz MKWOEINWXJZNGM-UHFFFAOYSA-N 1 1 317.389 3.317 20 5 DGBDMO O=[N+]([O-])c1ccn(CC[N@@H+]2CC3(CCCC3)[C@H]2c2ccco2)n1 ZINC000595675625 400224005 /nfs/dbraw/zinc/22/40/05/400224005.db2.gz NOPNNSWUCUDIGG-OAHLLOKOSA-N 1 1 316.361 3.002 20 5 DGBDMO O=[N+]([O-])c1ccn(CC[N@H+]2CC3(CCCC3)[C@H]2c2ccco2)n1 ZINC000595675625 400224011 /nfs/dbraw/zinc/22/40/11/400224011.db2.gz NOPNNSWUCUDIGG-OAHLLOKOSA-N 1 1 316.361 3.002 20 5 DGBDMO CCN(C[C@@H]1CCOC1)c1cc[nH+]c2ccc([N+](=O)[O-])cc21 ZINC000601132460 400243724 /nfs/dbraw/zinc/24/37/24/400243724.db2.gz HLNOUHOXPJRSFX-LBPRGKRZSA-N 1 1 301.346 3.006 20 5 DGBDMO Cc1noc(C[N@@H+]2CC[C@@](C)(c3cccc(F)c3)C2)c1[N+](=O)[O-] ZINC000595569223 400190911 /nfs/dbraw/zinc/19/09/11/400190911.db2.gz PORJIZNNMQGEKA-MRXNPFEDSA-N 1 1 319.336 3.194 20 5 DGBDMO Cc1noc(C[N@H+]2CC[C@@](C)(c3cccc(F)c3)C2)c1[N+](=O)[O-] ZINC000595569223 400190917 /nfs/dbraw/zinc/19/09/17/400190917.db2.gz PORJIZNNMQGEKA-MRXNPFEDSA-N 1 1 319.336 3.194 20 5 DGBDMO CC[C@@H](C)[N@@H+](CC)CCC(=O)Nc1cc([N+](=O)[O-])ccc1OC ZINC000595602898 400200511 /nfs/dbraw/zinc/20/05/11/400200511.db2.gz XXGQZVQRCDGGOM-GFCCVEGCSA-N 1 1 323.393 3.052 20 5 DGBDMO C[C@H](c1nnc(-c2ccc([N+](=O)[O-])cc2)o1)[N@H+]1CC[C@@H]2C[C@@H]2C1 ZINC000595808258 400265051 /nfs/dbraw/zinc/26/50/51/400265051.db2.gz BQQNZVMVCOKDTE-RAIGVLPGSA-N 1 1 314.345 3.048 20 5 DGBDMO Cn1nc(C[N@@H+](C)CCc2ccccc2[N+](=O)[O-])c2ccccc21 ZINC000589184940 400270779 /nfs/dbraw/zinc/27/07/79/400270779.db2.gz COUPVXXMPUJATD-UHFFFAOYSA-N 1 1 324.384 3.156 20 5 DGBDMO CN(C/C=C\c1ccccc1[N+](=O)[O-])C1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC000589188961 400272243 /nfs/dbraw/zinc/27/22/43/400272243.db2.gz WQUXMLLCQLVBFC-PAYVPJBWSA-N 1 1 315.417 3.165 20 5 DGBDMO C[C@@H]1C[N@@H+](CCCOc2ccc([N+](=O)[O-])cc2)CCC1(F)F ZINC000589276243 400284008 /nfs/dbraw/zinc/28/40/08/400284008.db2.gz RCMZRCBTXXNAFZ-GFCCVEGCSA-N 1 1 314.332 3.341 20 5 DGBDMO CC[C@@H](C)[N@@H+](CCn1c(C)ncc1[N+](=O)[O-])Cc1ccccc1 ZINC000610680859 400290848 /nfs/dbraw/zinc/29/08/48/400290848.db2.gz OYGAXGHQLGLVBK-CQSZACIVSA-N 1 1 316.405 3.400 20 5 DGBDMO CC[C@H](C)[N@@H+](CCn1c(C)ncc1[N+](=O)[O-])Cc1ccccc1 ZINC000610680858 400291029 /nfs/dbraw/zinc/29/10/29/400291029.db2.gz OYGAXGHQLGLVBK-AWEZNQCLSA-N 1 1 316.405 3.400 20 5 DGBDMO O=[N+]([O-])c1ccc(C[NH+]2CC(c3nc4ccccc4[nH]3)C2)cc1 ZINC000610701278 400292944 /nfs/dbraw/zinc/29/29/44/400292944.db2.gz FDKVQRRFWSRISK-UHFFFAOYSA-N 1 1 308.341 3.071 20 5 DGBDMO Cc1ccc(C[N@@H+]2CC(C)(C)[C@H]2[C@@H]2CCCO2)cc1[N+](=O)[O-] ZINC000589520381 400304607 /nfs/dbraw/zinc/30/46/07/400304607.db2.gz CWSZTMGEUAWMBC-JKSUJKDBSA-N 1 1 304.390 3.293 20 5 DGBDMO Cc1ccc(C[N@H+]2CC(C)(C)[C@H]2[C@@H]2CCCO2)cc1[N+](=O)[O-] ZINC000589520381 400304608 /nfs/dbraw/zinc/30/46/08/400304608.db2.gz CWSZTMGEUAWMBC-JKSUJKDBSA-N 1 1 304.390 3.293 20 5 DGBDMO CC(C)[C@H]1c2ccccc2CC[N@@H+]1CCn1cc([N+](=O)[O-])cn1 ZINC000610788112 400306179 /nfs/dbraw/zinc/30/61/79/400306179.db2.gz WXAOGHBJZCPMNU-KRWDZBQOSA-N 1 1 314.389 3.047 20 5 DGBDMO CC(C)[C@@H]1c2ccccc2CC[N@@H+]1CCn1cc([N+](=O)[O-])cn1 ZINC000610788113 400306204 /nfs/dbraw/zinc/30/62/04/400306204.db2.gz WXAOGHBJZCPMNU-QGZVFWFLSA-N 1 1 314.389 3.047 20 5 DGBDMO Cc1ccc(CNC[C@@H]2CCC[N@@H+](CC3CC3)C2)cc1[N+](=O)[O-] ZINC000596059562 400306296 /nfs/dbraw/zinc/30/62/96/400306296.db2.gz QIJNUHWIHWFRRD-KRWDZBQOSA-N 1 1 317.433 3.115 20 5 DGBDMO COc1cc(N[C@H]2CC[N@H+](C(C)C)C2)c(Cl)cc1[N+](=O)[O-] ZINC000596095103 400316838 /nfs/dbraw/zinc/31/68/38/400316838.db2.gz XZPCFDZUYPEGJO-JTQLQIEISA-N 1 1 313.785 3.151 20 5 DGBDMO CC[C@H]1CCC[N@H+]([C@@H](C)C(=O)Nc2ccccc2[N+](=O)[O-])C1 ZINC000030142740 400321050 /nfs/dbraw/zinc/32/10/50/400321050.db2.gz ILOIKOXPQIDPRE-STQMWFEESA-N 1 1 305.378 3.044 20 5 DGBDMO Cc1ccc([N+](=O)[O-])cc1NC(=O)C[N@H+](C)[C@H]1CCC[C@@H](C)C1 ZINC000026468698 400257546 /nfs/dbraw/zinc/25/75/46/400257546.db2.gz ALTSKPGOPXCWJN-OCCSQVGLSA-N 1 1 319.405 3.352 20 5 DGBDMO C[C@@H]1CN(c2cc[nH+]c3ccc([N+](=O)[O-])cc32)CC2(CCC2)O1 ZINC000601185912 400258859 /nfs/dbraw/zinc/25/88/59/400258859.db2.gz YEMRSYBVVPPADO-GFCCVEGCSA-N 1 1 313.357 3.291 20 5 DGBDMO COc1cc(NCCCn2cc[nH+]c2C)c(Cl)cc1[N+](=O)[O-] ZINC000596137918 400327260 /nfs/dbraw/zinc/32/72/60/400327260.db2.gz YLYRUTFKDXBOPQ-UHFFFAOYSA-N 1 1 324.768 3.264 20 5 DGBDMO CCOc1cc(C[N@@H+](C)Cc2ccn(CC)c2)ccc1[N+](=O)[O-] ZINC000617228060 400334158 /nfs/dbraw/zinc/33/41/58/400334158.db2.gz RVFZIWCXGLEESF-UHFFFAOYSA-N 1 1 317.389 3.447 20 5 DGBDMO C[C@H]([N@@H+](C)Cc1cc2c(cc1[N+](=O)[O-])OCCO2)C(C)(C)C ZINC000611257179 400366801 /nfs/dbraw/zinc/36/68/01/400366801.db2.gz DVZNDMCDNNFKCG-NSHDSACASA-N 1 1 308.378 3.232 20 5 DGBDMO C[C@@H]1COCCC[N@H+]1Cc1ccc(-c2cccc([N+](=O)[O-])c2)o1 ZINC000611272369 400371030 /nfs/dbraw/zinc/37/10/30/400371030.db2.gz CMOBIKNACOPEKA-CYBMUJFWSA-N 1 1 316.357 3.466 20 5 DGBDMO CC(C)(C)[N@H+]1CC[C@@H]1CNc1ccc2ncccc2c1[N+](=O)[O-] ZINC000596309374 400376951 /nfs/dbraw/zinc/37/69/51/400376951.db2.gz ZZRLHLLXEPMDFC-GFCCVEGCSA-N 1 1 314.389 3.428 20 5 DGBDMO C[N@@H+](CCC(=O)Nc1ccccc1[N+](=O)[O-])Cc1cccs1 ZINC000041887682 400415681 /nfs/dbraw/zinc/41/56/81/400415681.db2.gz MNZWDNUUIYJAJG-UHFFFAOYSA-N 1 1 319.386 3.117 20 5 DGBDMO Cc1noc([C@@H](C)[N@@H+]2CCC[C@@H](c3ccc([N+](=O)[O-])cc3)C2)n1 ZINC000590757308 400429926 /nfs/dbraw/zinc/42/99/26/400429926.db2.gz ICOBDYZQFBANTK-BXUZGUMPSA-N 1 1 316.361 3.227 20 5 DGBDMO Cc1noc([C@@H](C)[N@H+]2CCC[C@@H](c3ccc([N+](=O)[O-])cc3)C2)n1 ZINC000590757308 400429928 /nfs/dbraw/zinc/42/99/28/400429928.db2.gz ICOBDYZQFBANTK-BXUZGUMPSA-N 1 1 316.361 3.227 20 5 DGBDMO CCC[N@H+]1CC[C@H](Nc2ccc([N+](=O)[O-])c(OC(F)F)c2)C1 ZINC000596516000 400436006 /nfs/dbraw/zinc/43/60/06/400436006.db2.gz BLHGLGNTASGSKJ-NSHDSACASA-N 1 1 315.320 3.092 20 5 DGBDMO O=[N+]([O-])c1cc(Cl)cnc1NC[C@H]1CCC[N@@H+](CC2CC2)C1 ZINC000596570024 400446388 /nfs/dbraw/zinc/44/63/88/400446388.db2.gz HCFIRRPAAFVLKP-GFCCVEGCSA-N 1 1 324.812 3.177 20 5 DGBDMO CCO[C@H]1C[C@@H]([N@@H+](C)Cc2ccccc2[N+](=O)[O-])C12CCC2 ZINC000121074820 400451662 /nfs/dbraw/zinc/45/16/62/400451662.db2.gz LKTUENCDCUCMJJ-CVEARBPZSA-N 1 1 304.390 3.374 20 5 DGBDMO C[C@@H](c1ccccc1[N+](=O)[O-])[N@@H+]1Cc2c[nH]nc2CC(C)(C)C1 ZINC000596599651 400454323 /nfs/dbraw/zinc/45/43/23/400454323.db2.gz VSOJYLVUTJFYFE-LBPRGKRZSA-N 1 1 314.389 3.463 20 5 DGBDMO C[C@@H](c1ccccc1[N+](=O)[O-])[N@H+]1Cc2c[nH]nc2CC(C)(C)C1 ZINC000596599651 400454325 /nfs/dbraw/zinc/45/43/25/400454325.db2.gz VSOJYLVUTJFYFE-LBPRGKRZSA-N 1 1 314.389 3.463 20 5 DGBDMO CCC(C)(C)[N@@H+](C)CCC(=O)Nc1cc([N+](=O)[O-])ccc1C ZINC000074320688 400505816 /nfs/dbraw/zinc/50/58/16/400505816.db2.gz AUAZBGZJYDTNDV-UHFFFAOYSA-N 1 1 307.394 3.352 20 5 DGBDMO CCC[N@@H+](C)CC(C)(C)NC(=O)Nc1cc([N+](=O)[O-])ccc1C ZINC000596639627 400468289 /nfs/dbraw/zinc/46/82/89/400468289.db2.gz XZFWCRYABJXTBW-UHFFFAOYSA-N 1 1 322.409 3.145 20 5 DGBDMO C/C(=C/c1cccc([N+](=O)[O-])c1)C[N@H+]1CCC[C@@H]2COC[C@@H]21 ZINC000590972159 400471869 /nfs/dbraw/zinc/47/18/69/400471869.db2.gz MKYPGXPKQNCACV-LTPTVGFGSA-N 1 1 302.374 3.109 20 5 DGBDMO C[C@@H]1CCSCC[N@H+]1Cc1nc2cc([N+](=O)[O-])ccc2o1 ZINC000602629457 400516192 /nfs/dbraw/zinc/51/61/92/400516192.db2.gz HLXCDOJPVRWAOL-SNVBAGLBSA-N 1 1 307.375 3.063 20 5 DGBDMO Cc1cc(NC[C@H](C)[N@@H+](C)Cc2ccccc2)ncc1[N+](=O)[O-] ZINC000074750238 400532414 /nfs/dbraw/zinc/53/24/14/400532414.db2.gz AQBZMFVGHXHKHN-AWEZNQCLSA-N 1 1 314.389 3.231 20 5 DGBDMO CC(C)[C@H]1[N@@H+](CCc2ccc([N+](=O)[O-])cc2)CC12CCOCC2 ZINC000602692812 400541158 /nfs/dbraw/zinc/54/11/58/400541158.db2.gz YVABSTRQTCENMH-QGZVFWFLSA-N 1 1 318.417 3.274 20 5 DGBDMO CC1(C)C[C@H](N[C@@H]2CCC[NH2+]CC2)c2cc([N+](=O)[O-])ccc21 ZINC000591578358 400541322 /nfs/dbraw/zinc/54/13/22/400541322.db2.gz WGXXGQVOFHWZEV-WBMJQRKESA-N 1 1 303.406 3.049 20 5 DGBDMO CC[N@@H+](CCn1c(C)ncc1[N+](=O)[O-])[C@H](C)c1ccc(F)cc1 ZINC000602763571 400565915 /nfs/dbraw/zinc/56/59/15/400565915.db2.gz MDZKRXJCPDNTKP-GFCCVEGCSA-N 1 1 320.368 3.322 20 5 DGBDMO Cc1ncc([N+](=O)[O-])n1CC[N@@H+]1CC[C@H](C)[C@H]2CCCC[C@@H]21 ZINC000602764843 400567310 /nfs/dbraw/zinc/56/73/10/400567310.db2.gz ZSMHBRMAFVBXOJ-CFVMTHIKSA-N 1 1 306.410 3.000 20 5 DGBDMO Cc1c(C[N@H+]2CC[C@H](O)[C@H]3CCCC[C@H]32)cccc1[N+](=O)[O-] ZINC000602997824 400624179 /nfs/dbraw/zinc/62/41/79/400624179.db2.gz ROTSBYGXVJPFFQ-UAGQMJEPSA-N 1 1 304.390 3.029 20 5 DGBDMO O=[N+]([O-])c1ccc2c(c1)[C@@H](N[C@H]1CC[N@H+](CC3CC3)C1)CCC2 ZINC000618567990 400626248 /nfs/dbraw/zinc/62/62/48/400626248.db2.gz DSGBSHCVIOLMBJ-YJBOKZPZSA-N 1 1 315.417 3.046 20 5 DGBDMO O=[N+]([O-])c1ccc2c(c1)[C@@H](N[C@H]1CC[N@@H+](CC3CC3)C1)CCC2 ZINC000618567990 400626253 /nfs/dbraw/zinc/62/62/53/400626253.db2.gz DSGBSHCVIOLMBJ-YJBOKZPZSA-N 1 1 315.417 3.046 20 5 DGBDMO O=[N+]([O-])c1cccc(N2CC[NH+](Cc3cccc(F)c3)CC2)c1 ZINC000047743020 400629942 /nfs/dbraw/zinc/62/99/42/400629942.db2.gz PNDTZDXHDKYGSN-UHFFFAOYSA-N 1 1 315.348 3.056 20 5 DGBDMO CC(C)c1ccc(C[N@H+]2C[C@H](C)[C@](C)(CO)C2)cc1[N+](=O)[O-] ZINC000597235216 400595487 /nfs/dbraw/zinc/59/54/87/400595487.db2.gz GGYBJHGGODDZDJ-GUYCJALGSA-N 1 1 306.406 3.169 20 5 DGBDMO CC(=Cc1cccc([N+](=O)[O-])c1)C[N@H+]1CCCc2n[nH]cc2C1 ZINC000597269645 400603839 /nfs/dbraw/zinc/60/38/39/400603839.db2.gz VXDZFJMMCKYSST-MDWZMJQESA-N 1 1 312.373 3.170 20 5 DGBDMO CC(=Cc1cccc([N+](=O)[O-])c1)CN1CCCc2n[nH]cc2C1 ZINC000597269645 400603852 /nfs/dbraw/zinc/60/38/52/400603852.db2.gz VXDZFJMMCKYSST-MDWZMJQESA-N 1 1 312.373 3.170 20 5 DGBDMO COc1ccc(C[N@@H+](C)CCOc2ccccc2)cc1[N+](=O)[O-] ZINC000076490689 400657331 /nfs/dbraw/zinc/65/73/31/400657331.db2.gz MPDUHWODFKDUAX-UHFFFAOYSA-N 1 1 316.357 3.114 20 5 DGBDMO C[C@@H]1CC2(C[N@H+]1C/C=C/c1ccccc1[N+](=O)[O-])CCOCC2 ZINC000592527224 400665362 /nfs/dbraw/zinc/66/53/62/400665362.db2.gz MTLOLJCUCSICCC-CSPWOOARSA-N 1 1 316.401 3.499 20 5 DGBDMO O=[N+]([O-])c1ccc(C[N@@H+]2CCC[C@@H](OCC(F)(F)F)C2)cc1 ZINC000603834958 400720688 /nfs/dbraw/zinc/72/06/88/400720688.db2.gz GEFJFAYHRXGUDH-CYBMUJFWSA-N 1 1 318.295 3.138 20 5 DGBDMO O=[N+]([O-])c1ccc(C[N@H+]2CCC[C@@H](OCC(F)(F)F)C2)cc1 ZINC000603834958 400720691 /nfs/dbraw/zinc/72/06/91/400720691.db2.gz GEFJFAYHRXGUDH-CYBMUJFWSA-N 1 1 318.295 3.138 20 5 DGBDMO O=[N+]([O-])c1ccc(OCCC[N@H+]2CCOC3(CCCC3)C2)cc1 ZINC000158041727 400723142 /nfs/dbraw/zinc/72/31/42/400723142.db2.gz WVBCAPBYRUIJRF-UHFFFAOYSA-N 1 1 320.389 3.009 20 5 DGBDMO O=[N+]([O-])c1ccccc1C[N@H+]1CCCN(c2ccccc2)CC1 ZINC000603869622 400727559 /nfs/dbraw/zinc/72/75/59/400727559.db2.gz KITJVZFYSMDXMT-UHFFFAOYSA-N 1 1 311.385 3.307 20 5 DGBDMO CC(C)O[C@@H]1CCC[N@H+](Cc2nc3cc([N+](=O)[O-])ccc3o2)C1 ZINC000593055325 400748106 /nfs/dbraw/zinc/74/81/06/400748106.db2.gz JYGIKURFPJRGBD-CYBMUJFWSA-N 1 1 319.361 3.125 20 5 DGBDMO CC(C)O[C@@H]1CCC[N@@H+](Cc2nc3cc([N+](=O)[O-])ccc3o2)C1 ZINC000593055325 400748109 /nfs/dbraw/zinc/74/81/09/400748109.db2.gz JYGIKURFPJRGBD-CYBMUJFWSA-N 1 1 319.361 3.125 20 5 DGBDMO CCC(CC)[N@@H+](CC(=O)Nc1cc([N+](=O)[O-])ccc1C)C1CC1 ZINC000165331372 400751957 /nfs/dbraw/zinc/75/19/57/400751957.db2.gz YGNRGWKBIAORSM-UHFFFAOYSA-N 1 1 319.405 3.495 20 5 DGBDMO CCC(CC)[N@@H+](CC(=O)Nc1c(C)cccc1[N+](=O)[O-])C1CC1 ZINC000165332900 400752383 /nfs/dbraw/zinc/75/23/83/400752383.db2.gz QGDWUFQNYHXEFX-UHFFFAOYSA-N 1 1 319.405 3.495 20 5 DGBDMO COc1cccc(NCC[NH+]2Cc3ccccc3C2)c1[N+](=O)[O-] ZINC000613876024 400805799 /nfs/dbraw/zinc/80/57/99/400805799.db2.gz AIDPBIUUYUAMKQ-UHFFFAOYSA-N 1 1 313.357 3.031 20 5 DGBDMO C[C@@H](NCc1ccc(C[NH3+])cc1F)c1ccc([N+](=O)[O-])cc1 ZINC000593318764 400817317 /nfs/dbraw/zinc/81/73/17/400817317.db2.gz HEBDRLRGARRYJY-LLVKDONJSA-N 1 1 303.337 3.043 20 5 DGBDMO C[N@@H+](CC(=O)Nc1ccc(Cl)cc1[N+](=O)[O-])C1CCCC1 ZINC000053814236 400798758 /nfs/dbraw/zinc/79/87/58/400798758.db2.gz HWDIYINCOUTWDM-UHFFFAOYSA-N 1 1 311.769 3.061 20 5 DGBDMO CC(=O)c1ccc(N[C@H](C)C[N@H+]2CCC[C@@H](C)C2)c([N+](=O)[O-])c1 ZINC000054981058 400846312 /nfs/dbraw/zinc/84/63/12/400846312.db2.gz YANNCHFDJNNUJU-CHWSQXEVSA-N 1 1 319.405 3.330 20 5 DGBDMO CC1CC(C[NH2+][C@@H](c2nccn2C)c2cccc([N+](=O)[O-])c2)C1 ZINC000598676505 400854956 /nfs/dbraw/zinc/85/49/56/400854956.db2.gz JGPKZOIUSKVSLR-SEEARECTSA-N 1 1 314.389 3.053 20 5 DGBDMO C[C@@H](CCO)[N@@H+](C)Cc1ccc(-c2ccc([N+](=O)[O-])cc2)o1 ZINC000593694801 400893469 /nfs/dbraw/zinc/89/34/69/400893469.db2.gz TUQZLBJANLTFJR-LBPRGKRZSA-N 1 1 304.346 3.058 20 5 DGBDMO O=[N+]([O-])c1cccc(OCC[N@H+]2CCC[C@@H](OC3CCC3)C2)c1 ZINC000594026183 400952663 /nfs/dbraw/zinc/95/26/63/400952663.db2.gz FHHFFQZLUAYFBP-QGZVFWFLSA-N 1 1 320.389 3.007 20 5 DGBDMO COc1cccc(C[N@@H+](C)CCc2cccc([N+](=O)[O-])c2)c1F ZINC000619846225 400909537 /nfs/dbraw/zinc/90/95/37/400909537.db2.gz KSETZFNRWKCYOZ-UHFFFAOYSA-N 1 1 318.348 3.417 20 5 DGBDMO CN(C)c1c(F)c(F)ccc1C[NH2+]Cc1ccccc1[N+](=O)[O-] ZINC000598954775 400911358 /nfs/dbraw/zinc/91/13/58/400911358.db2.gz HWMOWVOFNVDQQU-UHFFFAOYSA-N 1 1 321.327 3.229 20 5 DGBDMO O=[N+]([O-])c1cccc(CNC[C@@H]2CC[N@@H+]2C2CCCCC2)c1 ZINC000598993195 400923295 /nfs/dbraw/zinc/92/32/95/400923295.db2.gz VGOQJLUUVJWKJP-KRWDZBQOSA-N 1 1 303.406 3.091 20 5 DGBDMO O=[N+]([O-])c1cccc(CNC[C@@H]2CC[N@H+]2C2CCCCC2)c1 ZINC000598993195 400923297 /nfs/dbraw/zinc/92/32/97/400923297.db2.gz VGOQJLUUVJWKJP-KRWDZBQOSA-N 1 1 303.406 3.091 20 5 DGBDMO C[N@@H+]1CCC[C@@H]1CNCc1ccc(-c2cccc([N+](=O)[O-])c2)o1 ZINC000598993755 400923414 /nfs/dbraw/zinc/92/34/14/400923414.db2.gz MSMFOLSPAFITJW-OAHLLOKOSA-N 1 1 315.373 3.039 20 5 DGBDMO C[N@H+]1CCC[C@@H]1CNCc1ccc(-c2cccc([N+](=O)[O-])c2)o1 ZINC000598993755 400923417 /nfs/dbraw/zinc/92/34/17/400923417.db2.gz MSMFOLSPAFITJW-OAHLLOKOSA-N 1 1 315.373 3.039 20 5 DGBDMO O=[N+]([O-])c1c(N[C@H]2CC[N@H+]3CCCC[C@H]23)ccc2cnccc21 ZINC000599019482 400928766 /nfs/dbraw/zinc/92/87/66/400928766.db2.gz MFSXUBXXACJEAL-GOEBONIOSA-N 1 1 312.373 3.182 20 5 DGBDMO CCOc1cc(NC[C@H]2CC[N@H+]2C2CCCC2)ccc1[N+](=O)[O-] ZINC000599166543 400984174 /nfs/dbraw/zinc/98/41/74/400984174.db2.gz XNTMWCAZPHCCEB-OAHLLOKOSA-N 1 1 319.405 3.422 20 5 DGBDMO C[C@@H](C[NH+]1CCCCC1)NC/C=C/c1ccccc1[N+](=O)[O-] ZINC000237497257 400989113 /nfs/dbraw/zinc/98/91/13/400989113.db2.gz KSIAGROEPYCJIO-HEWZJLJBSA-N 1 1 303.406 3.072 20 5 DGBDMO CO[C@@]1(C(F)(F)F)CCC[N@H+](Cc2cccc([N+](=O)[O-])c2)C1 ZINC000614922469 400965905 /nfs/dbraw/zinc/96/59/05/400965905.db2.gz UBBIQLMGDGZWQR-ZDUSSCGKSA-N 1 1 318.295 3.138 20 5 DGBDMO CO[C@@]1(C(F)(F)F)CCC[N@@H+](Cc2cccc([N+](=O)[O-])c2)C1 ZINC000614922469 400965911 /nfs/dbraw/zinc/96/59/11/400965911.db2.gz UBBIQLMGDGZWQR-ZDUSSCGKSA-N 1 1 318.295 3.138 20 5 DGBDMO C[N@H+]1CCCC[C@@H](CNc2ccc([N+](=O)[O-])c3cccnc23)C1 ZINC000599140200 400973545 /nfs/dbraw/zinc/97/35/45/400973545.db2.gz SIWXGPILHOTYMG-ZDUSSCGKSA-N 1 1 314.389 3.287 20 5 DGBDMO O=[N+]([O-])c1c(F)cccc1NCC[N@@H+]1CCc2sccc2C1 ZINC000057140052 400974010 /nfs/dbraw/zinc/97/40/10/400974010.db2.gz ZAKVSNXCOGOCNE-UHFFFAOYSA-N 1 1 321.377 3.266 20 5 DGBDMO O=[N+]([O-])c1c(F)cccc1NCC[N@H+]1CCc2sccc2C1 ZINC000057140052 400974013 /nfs/dbraw/zinc/97/40/13/400974013.db2.gz ZAKVSNXCOGOCNE-UHFFFAOYSA-N 1 1 321.377 3.266 20 5 DGBDMO COC(=O)CCCC[N@H+]1CCC[C@H](c2ccc([N+](=O)[O-])cc2)C1 ZINC000599433871 401049706 /nfs/dbraw/zinc/04/97/06/401049706.db2.gz LWXDZEPWLQQJLB-HNNXBMFYSA-N 1 1 320.389 3.118 20 5 DGBDMO O=[N+]([O-])c1ccc2oc(C[N@@H+]3CCCC(F)(F)CC3)nc2c1 ZINC000599551863 401075031 /nfs/dbraw/zinc/07/50/31/401075031.db2.gz SWMGXZDHYUNZTR-UHFFFAOYSA-N 1 1 311.288 3.357 20 5 DGBDMO O=[N+]([O-])c1ccc2oc(C[N@H+]3CCCC(F)(F)CC3)nc2c1 ZINC000599551863 401075042 /nfs/dbraw/zinc/07/50/42/401075042.db2.gz SWMGXZDHYUNZTR-UHFFFAOYSA-N 1 1 311.288 3.357 20 5 DGBDMO CC[C@@H](C)[N@@H+](C)CCN[C@H]1CCCc2ccc([N+](=O)[O-])cc21 ZINC000248883644 401079633 /nfs/dbraw/zinc/07/96/33/401079633.db2.gz LLPBYZMGILTPLL-DYVFJYSZSA-N 1 1 305.422 3.292 20 5 DGBDMO CC[C@@H](C)N(C)CC[NH2+][C@H]1CCCc2ccc([N+](=O)[O-])cc21 ZINC000248883644 401079636 /nfs/dbraw/zinc/07/96/36/401079636.db2.gz LLPBYZMGILTPLL-DYVFJYSZSA-N 1 1 305.422 3.292 20 5 DGBDMO C[N@H+](CCc1ccccc1[N+](=O)[O-])Cc1ncccc1Cl ZINC000599413291 401042702 /nfs/dbraw/zinc/04/27/02/401042702.db2.gz WEWBVFRLRBCGQM-UHFFFAOYSA-N 1 1 305.765 3.318 20 5 DGBDMO C[N@@H+](CCc1ccccc1[N+](=O)[O-])Cc1ncccc1Cl ZINC000599413291 401042707 /nfs/dbraw/zinc/04/27/07/401042707.db2.gz WEWBVFRLRBCGQM-UHFFFAOYSA-N 1 1 305.765 3.318 20 5 DGBDMO CC(C)([NH2+]Cc1cc(CO)ccc1F)c1ccccc1[N+](=O)[O-] ZINC000599425361 401044535 /nfs/dbraw/zinc/04/45/35/401044535.db2.gz CPXHVJBEZAUUCC-UHFFFAOYSA-N 1 1 318.348 3.251 20 5 DGBDMO C[C@H](C(=O)Nc1ccc([N+](=O)[O-])cc1)[N@H+]1CCCC2(CC2)CC1 ZINC000599672148 401108629 /nfs/dbraw/zinc/10/86/29/401108629.db2.gz BFKXPQDCKGTLMG-CYBMUJFWSA-N 1 1 317.389 3.188 20 5 DGBDMO O=[N+]([O-])c1ccc(CC[N@H+]2CC[C@H](Nc3ccccc3)C2)cc1 ZINC000060369943 401110645 /nfs/dbraw/zinc/11/06/45/401110645.db2.gz JTYLVORXZXTBGE-KRWDZBQOSA-N 1 1 311.385 3.324 20 5 DGBDMO COc1cc(N[C@@H]2CCC[N@H+]3CCCC[C@@H]23)ccc1[N+](=O)[O-] ZINC000594596472 401122122 /nfs/dbraw/zinc/12/21/22/401122122.db2.gz ACMKGGNNFSWDCR-KGLIPLIRSA-N 1 1 305.378 3.032 20 5 DGBDMO CCOC(=O)CC[N@@H+](C/C=C\c1ccccc1[N+](=O)[O-])C(C)C ZINC000594610045 401132087 /nfs/dbraw/zinc/13/20/87/401132087.db2.gz DVHPAFSVONNZHD-CLFYSBASSA-N 1 1 320.389 3.272 20 5 DGBDMO O=[N+]([O-])c1ccccc1/C=C\CN[C@@H]1CCC[N@@H+]2CCCC[C@@H]12 ZINC000594517997 401095498 /nfs/dbraw/zinc/09/54/98/401095498.db2.gz GBGNLQUJKLZMDX-YZJPHSQXSA-N 1 1 315.417 3.215 20 5 DGBDMO O=[N+]([O-])c1ccccc1/C=C\CN[C@@H]1CCC[N@H+]2CCCC[C@@H]12 ZINC000594517997 401095505 /nfs/dbraw/zinc/09/55/05/401095505.db2.gz GBGNLQUJKLZMDX-YZJPHSQXSA-N 1 1 315.417 3.215 20 5 DGBDMO O=[N+]([O-])c1ccccc1/C=C/CN[C@@H]1CCC[N@@H+]2CCCC[C@@H]12 ZINC000594517996 401095528 /nfs/dbraw/zinc/09/55/28/401095528.db2.gz GBGNLQUJKLZMDX-QWYBNYMASA-N 1 1 315.417 3.215 20 5 DGBDMO O=[N+]([O-])c1ccccc1/C=C/CN[C@@H]1CCC[N@H+]2CCCC[C@@H]12 ZINC000594517996 401095535 /nfs/dbraw/zinc/09/55/35/401095535.db2.gz GBGNLQUJKLZMDX-QWYBNYMASA-N 1 1 315.417 3.215 20 5 DGBDMO CCO[C@@H]1CCC[N@@H+](C/C(C)=C/c2cccc([N+](=O)[O-])c2)C1 ZINC000615833754 401161540 /nfs/dbraw/zinc/16/15/40/401161540.db2.gz NYNCAPGMYLWRCS-IDKBZEPQSA-N 1 1 304.390 3.499 20 5 DGBDMO NC1(C[NH2+][C@H]2CCC[C@H]2Cc2ccccc2[N+](=O)[O-])CCCC1 ZINC000594738034 401165565 /nfs/dbraw/zinc/16/55/65/401165565.db2.gz ATGZTKQSGUJSJX-HOCLYGCPSA-N 1 1 317.433 3.167 20 5 DGBDMO COc1cc([N+](=O)[O-])ccc1[C@@H](C)[NH2+]C[C@H](CC(C)C)N(C)C ZINC000595005948 401226524 /nfs/dbraw/zinc/22/65/24/401226524.db2.gz CBTRJONRLKXPOU-HIFRSBDPSA-N 1 1 323.437 3.230 20 5 DGBDMO CC[C@H](C)[N@@H+](CCO)Cc1ccc(-c2cccc([N+](=O)[O-])c2)o1 ZINC000600168387 401205896 /nfs/dbraw/zinc/20/58/96/401205896.db2.gz IQSQQTVPOJRRPM-ZDUSSCGKSA-N 1 1 318.373 3.448 20 5 DGBDMO Cc1ccccc1C[NH+]1CCN(c2ccsc2[N+](=O)[O-])CC1 ZINC000063256301 401185018 /nfs/dbraw/zinc/18/50/18/401185018.db2.gz BEGATJRAUXHFKS-UHFFFAOYSA-N 1 1 317.414 3.287 20 5 DGBDMO CC[N@@H+](Cc1cc([N+](=O)[O-])cc2c1OCOC2)[C@@H](C)C(C)C ZINC000065299542 401263844 /nfs/dbraw/zinc/26/38/44/401263844.db2.gz NXKBPYRUPOYUIE-LBPRGKRZSA-N 1 1 308.378 3.328 20 5 DGBDMO Cc1[nH+]ccn1-c1ccccc1CNc1ccc([N+](=O)[O-])cn1 ZINC000064337402 401234396 /nfs/dbraw/zinc/23/43/96/401234396.db2.gz QASKQCZYBLBJFW-UHFFFAOYSA-N 1 1 309.329 3.096 20 5 DGBDMO CCCCn1cc(C[NH2+]Cc2csc([N+](=O)[O-])c2)c(C)n1 ZINC000358501578 286079102 /nfs/dbraw/zinc/07/91/02/286079102.db2.gz ASPBABAQUFQUCG-UHFFFAOYSA-N 1 1 308.407 3.251 20 5 DGBDMO CC[C@H]1[C@H](C)CC[N@H+]1CCC(=O)Nc1ccc([N+](=O)[O-])cc1C ZINC000185667205 165012381 /nfs/dbraw/zinc/01/23/81/165012381.db2.gz DFMINPJCWVCBRA-WBMJQRKESA-N 1 1 319.405 3.352 20 5 DGBDMO C[N@H+]1CCC[C@H]2CN(Cc3ccc(Cl)c([N+](=O)[O-])c3)CC[C@@H]21 ZINC000129099885 196018985 /nfs/dbraw/zinc/01/89/85/196018985.db2.gz QJVFIFZJCGUZOK-ZFWWWQNUSA-N 1 1 323.824 3.164 20 5 DGBDMO CCC[N@@H+](Cc1nc(-c2cccc([N+](=O)[O-])c2)no1)C1CC1 ZINC000171679747 432160042 /nfs/dbraw/zinc/16/00/42/432160042.db2.gz ZNUVWQWMUZHWOF-UHFFFAOYSA-N 1 1 302.334 3.019 20 5 DGBDMO Cc1ccc(C[N@@H+](CCO)Cc2cccc([N+](=O)[O-])c2C)cc1 ZINC000181987787 432154378 /nfs/dbraw/zinc/15/43/78/432154378.db2.gz SWRZQBVLAREGNT-UHFFFAOYSA-N 1 1 314.385 3.206 20 5 DGBDMO C[C@H]1CSCC[N@H+](Cc2ccc(Cl)cc2[N+](=O)[O-])C1 ZINC000190439776 432157823 /nfs/dbraw/zinc/15/78/23/432157823.db2.gz HZIRHCFDRKHQPQ-SNVBAGLBSA-N 1 1 300.811 3.433 20 5 DGBDMO C[C@H]1CSCC[N@@H+](Cc2ccc(Cl)cc2[N+](=O)[O-])C1 ZINC000190439776 432157825 /nfs/dbraw/zinc/15/78/25/432157825.db2.gz HZIRHCFDRKHQPQ-SNVBAGLBSA-N 1 1 300.811 3.433 20 5 DGBDMO CC(C)[N@H+]1CCC[C@@H](CN[C@H](C)c2ccc([N+](=O)[O-])cc2)C1 ZINC000246866388 432174632 /nfs/dbraw/zinc/17/46/32/432174632.db2.gz CICTXUUEQORAOA-CABCVRRESA-N 1 1 305.422 3.366 20 5 DGBDMO CC[C@H](C)C[N@@H+](C)CCC(=O)Nc1cccc([N+](=O)[O-])c1C ZINC000171949198 432186357 /nfs/dbraw/zinc/18/63/57/432186357.db2.gz DLXWFJWLHUQHJQ-LBPRGKRZSA-N 1 1 307.394 3.210 20 5 DGBDMO CC[C@H](O)C[N@@H+](Cc1ccccc1)Cc1ccccc1[N+](=O)[O-] ZINC000134478864 196394583 /nfs/dbraw/zinc/39/45/83/196394583.db2.gz RGVSLTOATTXCET-KRWDZBQOSA-N 1 1 314.385 3.368 20 5 DGBDMO CO[C@H]1CC[N@@H+](CCCOc2ccc([N+](=O)[O-])cc2)CC1(C)C ZINC000295860599 225321250 /nfs/dbraw/zinc/32/12/50/225321250.db2.gz FBKSQDLWQSZWHI-INIZCTEOSA-N 1 1 322.405 3.111 20 5 DGBDMO Cc1cccc(NCC(C)(C)[N@@H+]2C[C@@H](C)O[C@@H](C)C2)c1[N+](=O)[O-] ZINC000302481847 230262362 /nfs/dbraw/zinc/26/23/62/230262362.db2.gz GYYKLLUUDPQQAT-OKILXGFUSA-N 1 1 321.421 3.203 20 5 DGBDMO C[C@H]1C[C@@H](C[NH3+])CN1Cc1ccc(-c2cccc([N+](=O)[O-])c2)o1 ZINC000346693037 264080848 /nfs/dbraw/zinc/08/08/48/264080848.db2.gz KMGIFNUEYPWQTO-STQMWFEESA-N 1 1 315.373 3.024 20 5 DGBDMO CC(C)c1ccc(CN2C[C@@H]3CCC[C@@H]([NH3+])[C@H]3C2)cc1[N+](=O)[O-] ZINC000346827197 264104321 /nfs/dbraw/zinc/10/43/21/264104321.db2.gz HTRVSFTWZIJDKO-BHYGNILZSA-N 1 1 317.433 3.277 20 5 DGBDMO C/C(=C/c1cccc([N+](=O)[O-])c1)C[N@H+]1CC[C@]2(CCOC2)C1 ZINC000347331544 264198410 /nfs/dbraw/zinc/19/84/10/264198410.db2.gz FMYWHBFMJKXINZ-DZXKJOIRSA-N 1 1 302.374 3.111 20 5 DGBDMO O=[N+]([O-])c1ccc(OCC[N@@H+]2CCc3cccc(F)c3C2)cc1 ZINC000347943634 264310638 /nfs/dbraw/zinc/31/06/38/264310638.db2.gz HHRJAMITSVZJTQ-UHFFFAOYSA-N 1 1 316.332 3.171 20 5 DGBDMO O=[N+]([O-])c1ccc(OCC[N@H+]2CCc3cccc(F)c3C2)cc1 ZINC000347943634 264310639 /nfs/dbraw/zinc/31/06/39/264310639.db2.gz HHRJAMITSVZJTQ-UHFFFAOYSA-N 1 1 316.332 3.171 20 5 DGBDMO C[C@H](C(=O)Nc1ccc([N+](=O)[O-])cc1)[N@H+]1CCCC2(CCC2)C1 ZINC000348169100 264356709 /nfs/dbraw/zinc/35/67/09/264356709.db2.gz OSLCLJDOHAMQIU-CYBMUJFWSA-N 1 1 317.389 3.188 20 5 DGBDMO Cc1cnn([C@@H]2CC[N@H+](Cc3c(Cl)cccc3[N+](=O)[O-])C2)c1 ZINC000352422188 265043756 /nfs/dbraw/zinc/04/37/56/265043756.db2.gz HWKASJVUMSWHTO-GFCCVEGCSA-N 1 1 320.780 3.200 20 5 DGBDMO Cc1cnn([C@@H]2CC[N@@H+](Cc3c(Cl)cccc3[N+](=O)[O-])C2)c1 ZINC000352422188 265043758 /nfs/dbraw/zinc/04/37/58/265043758.db2.gz HWKASJVUMSWHTO-GFCCVEGCSA-N 1 1 320.780 3.200 20 5 DGBDMO COCc1cccc(C[N@@H+](C)CCc2ccccc2[N+](=O)[O-])c1 ZINC000352562937 265089467 /nfs/dbraw/zinc/08/94/67/265089467.db2.gz NRVXTGRCKBIEFL-UHFFFAOYSA-N 1 1 314.385 3.416 20 5 DGBDMO O=[N+]([O-])c1ccc(OCC[N@H+]2CCC=C(c3ccco3)C2)cc1 ZINC000352566463 265090927 /nfs/dbraw/zinc/09/09/27/265090927.db2.gz ZRWUTZKDHMMNTN-UHFFFAOYSA-N 1 1 314.341 3.356 20 5 DGBDMO CC(C)c1ccc(CN2CC[C@H]3CC[N@@H+](C)C[C@@H]32)cc1[N+](=O)[O-] ZINC000353011378 265263975 /nfs/dbraw/zinc/26/39/75/265263975.db2.gz WSAYKPFNFGQBPS-QAPCUYQASA-N 1 1 317.433 3.244 20 5 DGBDMO C[C@H](c1cccc([N+](=O)[O-])c1)[N@H+]1CC[C@@H](COC(F)F)C1 ZINC000353017271 265267173 /nfs/dbraw/zinc/26/71/73/265267173.db2.gz BROHBFAILQCPOC-GHMZBOCLSA-N 1 1 300.305 3.217 20 5 DGBDMO C[C@H]1CC[N@@H+](Cc2ccc(-c3cccc([N+](=O)[O-])c3)o2)[C@@H]1CO ZINC000191175346 432230815 /nfs/dbraw/zinc/23/08/15/432230815.db2.gz QOKWCGSMJHZUTK-BLLLJJGKSA-N 1 1 316.357 3.058 20 5 DGBDMO CC[C@H](Cc1ccc(C)cc1)[N@@H+](C)Cc1c([N+](=O)[O-])ncn1C ZINC000355341622 266044862 /nfs/dbraw/zinc/04/48/62/266044862.db2.gz XICAUVHZERBJPX-OAHLLOKOSA-N 1 1 316.405 3.090 20 5 DGBDMO C[C@H](O)C[N@@H+](Cc1c(F)cccc1[N+](=O)[O-])C1CCCCC1 ZINC000355401568 266063916 /nfs/dbraw/zinc/06/39/16/266063916.db2.gz PIUVRPJNDWYTPH-LBPRGKRZSA-N 1 1 310.369 3.249 20 5 DGBDMO Cc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@@H+]1CCC[C@@H](C)[C@@H]1C ZINC000172856865 432240766 /nfs/dbraw/zinc/24/07/66/432240766.db2.gz QVGPCVKSGLRFSP-OCCSQVGLSA-N 1 1 319.405 3.352 20 5 DGBDMO CC(C)[C@@]1(CO)CC[N@@H+](Cc2ccc(Cl)c([N+](=O)[O-])c2)C1 ZINC000368054202 271125557 /nfs/dbraw/zinc/12/55/57/271125557.db2.gz CUZLCQGUXIEXBX-HNNXBMFYSA-N 1 1 312.797 3.089 20 5 DGBDMO Cn1cc[nH+]c1[C@@H]1CCCN(c2ccc(Cl)cc2[N+](=O)[O-])C1 ZINC000369359665 271268712 /nfs/dbraw/zinc/26/87/12/271268712.db2.gz SXZKOQZXBRBSID-LLVKDONJSA-N 1 1 320.780 3.366 20 5 DGBDMO COc1cccnc1C[NH2+][C@@H]1CCCc2ccc([N+](=O)[O-])cc21 ZINC000453376793 274163308 /nfs/dbraw/zinc/16/33/08/274163308.db2.gz UYNVTGFLFBNJCM-OAHLLOKOSA-N 1 1 313.357 3.166 20 5 DGBDMO C[C@@H](C(=O)Nc1ccc([N+](=O)[O-])cc1)[N@H+]1CC(C)(C)C[C@@H]1C ZINC000412041448 274202966 /nfs/dbraw/zinc/20/29/66/274202966.db2.gz LIJNQRSDDUEJHY-RYUDHWBXSA-N 1 1 305.378 3.042 20 5 DGBDMO C[C@@H](CN[C@@H]1CCCc2ccc([N+](=O)[O-])cc21)[N@H+](C)C1CC1 ZINC000192833191 274225194 /nfs/dbraw/zinc/22/51/94/274225194.db2.gz ORSGQPGQOKAELZ-YVEFUNNKSA-N 1 1 303.406 3.045 20 5 DGBDMO C[C@@H](CN[C@@H]1CCCc2ccc([N+](=O)[O-])cc21)[N@@H+](C)C1CC1 ZINC000192833191 274225195 /nfs/dbraw/zinc/22/51/95/274225195.db2.gz ORSGQPGQOKAELZ-YVEFUNNKSA-N 1 1 303.406 3.045 20 5 DGBDMO C[C@@H](c1ccccc1[N+](=O)[O-])[N@H+]1CCC[C@@H](c2ccnn2C)C1 ZINC000332368594 274278235 /nfs/dbraw/zinc/27/82/35/274278235.db2.gz WJRGMENQKXGUAA-UONOGXRCSA-N 1 1 314.389 3.269 20 5 DGBDMO C[C@@H]1CC[N@H+](Cc2nc3cc([N+](=O)[O-])ccc3[nH]2)CC1(C)C ZINC000444685702 274303186 /nfs/dbraw/zinc/30/31/86/274303186.db2.gz PHTPUPJONCAMED-LLVKDONJSA-N 1 1 302.378 3.339 20 5 DGBDMO C[C@@H]1CC[N@@H+](Cc2nc3cc([N+](=O)[O-])ccc3[nH]2)CC1(C)C ZINC000444685702 274303188 /nfs/dbraw/zinc/30/31/88/274303188.db2.gz PHTPUPJONCAMED-LLVKDONJSA-N 1 1 302.378 3.339 20 5 DGBDMO C[C@@H]1C[C@@H](N[C@@H]2CC(C)(C)c3ccc([N+](=O)[O-])cc32)CC[N@@H+]1C ZINC000332037796 274392881 /nfs/dbraw/zinc/39/28/81/274392881.db2.gz XHIDZMGARXBPBR-IIYDPXPESA-N 1 1 317.433 3.390 20 5 DGBDMO C[C@@H]1C[C@@H](N[C@@H]2CC(C)(C)c3ccc([N+](=O)[O-])cc32)CC[N@H+]1C ZINC000332037796 274392883 /nfs/dbraw/zinc/39/28/83/274392883.db2.gz XHIDZMGARXBPBR-IIYDPXPESA-N 1 1 317.433 3.390 20 5 DGBDMO C[C@@H]1C[C@@H](N[C@H]2CCCc3ccc([N+](=O)[O-])cc32)CC[N@@H+]1C ZINC000447546467 274394341 /nfs/dbraw/zinc/39/43/41/274394341.db2.gz WBZVJYBEEINEKY-IFIJOSMWSA-N 1 1 303.406 3.045 20 5 DGBDMO C[C@@H]1C[C@@H](N[C@H]2CCCc3ccc([N+](=O)[O-])cc32)CC[N@H+]1C ZINC000447546467 274394343 /nfs/dbraw/zinc/39/43/43/274394343.db2.gz WBZVJYBEEINEKY-IFIJOSMWSA-N 1 1 303.406 3.045 20 5 DGBDMO Cc1ncc(C[NH2+][C@H]2CC(C)(C)c3ccc([N+](=O)[O-])cc32)o1 ZINC000414195556 274857078 /nfs/dbraw/zinc/85/70/78/274857078.db2.gz XISCTARKOOZVAA-HNNXBMFYSA-N 1 1 301.346 3.403 20 5 DGBDMO O=[N+]([O-])c1ccc(N2CC[C@H]3[C@H](CCC[N@H+]3C3CC3)C2)c(F)c1 ZINC000161898891 275037018 /nfs/dbraw/zinc/03/70/18/275037018.db2.gz XUXBVOFWSKHBMT-WBMJQRKESA-N 1 1 319.380 3.187 20 5 DGBDMO CCOc1ccc([N+](=O)[O-])cc1C[N@H+]1CCSCC[C@H]1C ZINC000191816077 276376998 /nfs/dbraw/zinc/37/69/98/276376998.db2.gz PDHUJNVLNMBYFL-GFCCVEGCSA-N 1 1 310.419 3.321 20 5 DGBDMO CCCC[N@H+]1CCCC[C@@H]1CNc1ncc([N+](=O)[O-])cc1C ZINC000480513014 429721021 /nfs/dbraw/zinc/72/10/21/429721021.db2.gz CICUDANOOJKFCR-CQSZACIVSA-N 1 1 306.410 3.365 20 5 DGBDMO CC[C@@H](C)[N@@H+](C)CCNc1ccc2ncccc2c1[N+](=O)[O-] ZINC000112079807 431245602 /nfs/dbraw/zinc/24/56/02/431245602.db2.gz QOUWHNFPIJASMA-GFCCVEGCSA-N 1 1 302.378 3.285 20 5 DGBDMO Cc1c(NC(=O)CC[N@H+]2CCCC(C)(C)C2)cccc1[N+](=O)[O-] ZINC000112701936 431297741 /nfs/dbraw/zinc/29/77/41/431297741.db2.gz VWEPHFCSBYSQOA-UHFFFAOYSA-N 1 1 319.405 3.354 20 5 DGBDMO CC(C)C[C@@H]1CC[N@@H+](CCC(=O)Nc2ccccc2[N+](=O)[O-])C1 ZINC000072491917 431335638 /nfs/dbraw/zinc/33/56/38/431335638.db2.gz QGHNGZXCJNYWNI-AWEZNQCLSA-N 1 1 319.405 3.291 20 5 DGBDMO CC[N@@H+](CC(=O)Nc1ccc([N+](=O)[O-])cc1C)[C@H](C)C(C)C ZINC000072635871 431341441 /nfs/dbraw/zinc/34/14/41/431341441.db2.gz YMAUMWHSYYYFEZ-CYBMUJFWSA-N 1 1 307.394 3.208 20 5 DGBDMO Cc1cc([N+](=O)[O-])ccc1NC(=O)C[N@H+](C(C)C)C1CCC1 ZINC000072685619 431347559 /nfs/dbraw/zinc/34/75/59/431347559.db2.gz GCXKYGWVPBAIQZ-UHFFFAOYSA-N 1 1 305.378 3.105 20 5 DGBDMO CC[N@H+](CC(=O)Nc1ccc([N+](=O)[O-])cc1Cl)CC(C)C ZINC000114725493 431409300 /nfs/dbraw/zinc/40/93/00/431409300.db2.gz LCCKCZTVUQQYRG-UHFFFAOYSA-N 1 1 313.785 3.165 20 5 DGBDMO O=[N+]([O-])c1cc(Cl)ccc1C[NH+]1CCC(n2ccnc2)CC1 ZINC000116279821 431497810 /nfs/dbraw/zinc/49/78/10/431497810.db2.gz MPYDEHKHCGFDGO-UHFFFAOYSA-N 1 1 320.780 3.282 20 5 DGBDMO CC[C@@H](O)[C@@H]1CCCC[N@H+]1Cc1ccc(Cl)cc1[N+](=O)[O-] ZINC000116280290 431497921 /nfs/dbraw/zinc/49/79/21/431497921.db2.gz QRKUXKCYNUUVDF-DZGCQCFKSA-N 1 1 312.797 3.374 20 5 DGBDMO CN(CC[C@H]1CCCC[N@H+]1C)Cc1c(F)cccc1[N+](=O)[O-] ZINC000075860558 431502759 /nfs/dbraw/zinc/50/27/59/431502759.db2.gz PXTNOMPJSHLFRK-CYBMUJFWSA-N 1 1 309.385 3.040 20 5 DGBDMO COc1ccc(C[N@H+](C)Cc2cccc([N+](=O)[O-])c2)c(OC)c1 ZINC000015298223 431607224 /nfs/dbraw/zinc/60/72/24/431607224.db2.gz MVEZLAOZGXFYCK-UHFFFAOYSA-N 1 1 316.357 3.244 20 5 DGBDMO COc1ccc(C[N@@H+](C)Cc2cccc([N+](=O)[O-])c2)c(OC)c1 ZINC000015298223 431607234 /nfs/dbraw/zinc/60/72/34/431607234.db2.gz MVEZLAOZGXFYCK-UHFFFAOYSA-N 1 1 316.357 3.244 20 5 DGBDMO O=[N+]([O-])c1ccc2oc(C[N@@H+]3C[C@@H]4CCCC[C@@H]4C3)nc2c1 ZINC000083243489 431808960 /nfs/dbraw/zinc/80/89/60/431808960.db2.gz BPHOQWDRWXWVIM-TXEJJXNPSA-N 1 1 301.346 3.358 20 5 DGBDMO O=[N+]([O-])c1ccc(-c2noc(C[N@H+]3CCC4(CCC4)C3)n2)cc1 ZINC000123054085 431853253 /nfs/dbraw/zinc/85/32/53/431853253.db2.gz QVURCCICCLWZOV-UHFFFAOYSA-N 1 1 314.345 3.021 20 5 DGBDMO O=[N+]([O-])c1ccc2c(c1)C[N@H+](CCCCCn1cccn1)CC2 ZINC000088605757 431858992 /nfs/dbraw/zinc/85/89/92/431858992.db2.gz AIVPORDKSYPPSC-UHFFFAOYSA-N 1 1 314.389 3.020 20 5 DGBDMO C[C@@H]1CC[N@@H+](Cc2coc(-c3ccc([N+](=O)[O-])cc3)n2)[C@@H]1C ZINC000089908087 431884786 /nfs/dbraw/zinc/88/47/86/431884786.db2.gz YHSDTKYOJNHRLS-VXGBXAGGSA-N 1 1 301.346 3.480 20 5 DGBDMO CC1(C)CC[N@@H+](Cc2coc(-c3ccc([N+](=O)[O-])cc3)n2)C1 ZINC000089907016 431884936 /nfs/dbraw/zinc/88/49/36/431884936.db2.gz LWNTWWDOKPJRQX-UHFFFAOYSA-N 1 1 301.346 3.482 20 5 DGBDMO CC(C)C[C@@H]1CCCCC[N@H+]1CCn1cc([N+](=O)[O-])ccc1=O ZINC000090550346 431892831 /nfs/dbraw/zinc/89/28/31/431892831.db2.gz XEIMIWLQXSTBKQ-HNNXBMFYSA-N 1 1 321.421 3.047 20 5 DGBDMO O=[N+]([O-])c1cc(Cl)ccc1C[N@H+](CCO)C1CCCCC1 ZINC000050445229 431948150 /nfs/dbraw/zinc/94/81/50/431948150.db2.gz ICHDMBOHZYUSCX-UHFFFAOYSA-N 1 1 312.797 3.375 20 5 DGBDMO C[C@@H]1OCC[N@H+](Cc2ccc(-c3cccc([N+](=O)[O-])c3)o2)[C@H]1C ZINC000126541281 431952609 /nfs/dbraw/zinc/95/26/09/431952609.db2.gz KELDDNFALGDQKV-STQMWFEESA-N 1 1 316.357 3.464 20 5 DGBDMO C[C@@H]1OCC[N@@H+](Cc2ccc(-c3cccc([N+](=O)[O-])c3)o2)[C@H]1C ZINC000126541281 431952610 /nfs/dbraw/zinc/95/26/10/431952610.db2.gz KELDDNFALGDQKV-STQMWFEESA-N 1 1 316.357 3.464 20 5 DGBDMO Cc1ccc([N+](=O)[O-])cc1[C@@H](C)N1CC[N@H+](C2CC2)C[C@H](C)C1 ZINC000451091939 281019595 /nfs/dbraw/zinc/01/95/95/281019595.db2.gz KVHBBCTYXHTUSM-UKRRQHHQSA-N 1 1 317.433 3.380 20 5 DGBDMO Cc1ccc([N+](=O)[O-])cc1[C@@H](C)[N@@H+]1CCN(C2CC2)C[C@H](C)C1 ZINC000451091939 281019596 /nfs/dbraw/zinc/01/95/96/281019596.db2.gz KVHBBCTYXHTUSM-UKRRQHHQSA-N 1 1 317.433 3.380 20 5 DGBDMO Cc1ccc([N+](=O)[O-])cc1[C@@H](C)[N@H+]1CCN(C2CC2)C[C@H](C)C1 ZINC000451091939 281019597 /nfs/dbraw/zinc/01/95/97/281019597.db2.gz KVHBBCTYXHTUSM-UKRRQHHQSA-N 1 1 317.433 3.380 20 5 DGBDMO CCCn1ccnc1CCC[N@@H+](C)Cc1ccc([N+](=O)[O-])cc1 ZINC000191479716 432269295 /nfs/dbraw/zinc/26/92/95/432269295.db2.gz KHQSMEGDKJCBKP-UHFFFAOYSA-N 1 1 316.405 3.266 20 5 DGBDMO C[C@@H]1C[N@@H+](CC(=O)Nc2ccccc2[N+](=O)[O-])[C@@H]2CCCC[C@H]21 ZINC000248437281 432290172 /nfs/dbraw/zinc/29/01/72/432290172.db2.gz SLQVKGQSXLXZST-VNHYZAJKSA-N 1 1 317.389 3.044 20 5 DGBDMO C[C@@H]1C[N@@H+](CC(=O)Nc2ccccc2[N+](=O)[O-])[C@@H]2CCCC[C@@H]21 ZINC000248437280 432290710 /nfs/dbraw/zinc/29/07/10/432290710.db2.gz SLQVKGQSXLXZST-UMVBOHGHSA-N 1 1 317.389 3.044 20 5 DGBDMO O=[N+]([O-])c1cc(C[N@H+]2CCC[C@H]2C2CCC2)c2c(c1)COCO2 ZINC000102926772 431999678 /nfs/dbraw/zinc/99/96/78/431999678.db2.gz JLLLGOWSYHPLQE-INIZCTEOSA-N 1 1 318.373 3.226 20 5 DGBDMO COc1c(C)c[nH+]c(CN(C)Cc2csc([N+](=O)[O-])c2)c1C ZINC000183781646 432325857 /nfs/dbraw/zinc/32/58/57/432325857.db2.gz KOUZKZWRZAPSMS-UHFFFAOYSA-N 1 1 321.402 3.309 20 5 DGBDMO Cc1ccc([N+](=O)[O-])cc1[C@@H](C)NC[C@H]1CC[N@@H+](C2CC2)C1 ZINC000152427074 432332872 /nfs/dbraw/zinc/33/28/72/432332872.db2.gz SQRNRFVDWRUYIO-ZIAGYGMSSA-N 1 1 303.406 3.038 20 5 DGBDMO Cc1ccc([N+](=O)[O-])cc1[C@@H](C)NC[C@H]1CC[N@H+](C2CC2)C1 ZINC000152427074 432332875 /nfs/dbraw/zinc/33/28/75/432332875.db2.gz SQRNRFVDWRUYIO-ZIAGYGMSSA-N 1 1 303.406 3.038 20 5 DGBDMO Cc1noc([C@@H]2CCC[N@H+]([C@H](C)c3cccc([N+](=O)[O-])c3)C2)n1 ZINC000249707310 432355335 /nfs/dbraw/zinc/35/53/35/432355335.db2.gz PMZGICJBJMZXNR-BXUZGUMPSA-N 1 1 316.361 3.227 20 5 DGBDMO CCOc1ccc([C@H](C)NC[C@H]2CCC[N@@H+]2CC)cc1[N+](=O)[O-] ZINC000152600229 432343251 /nfs/dbraw/zinc/34/32/51/432343251.db2.gz SBQJVWXETDXHSX-DZGCQCFKSA-N 1 1 321.421 3.128 20 5 DGBDMO CCOc1ccc([C@H](C)NC[C@H]2CCC[N@H+]2CC)cc1[N+](=O)[O-] ZINC000152600229 432343256 /nfs/dbraw/zinc/34/32/56/432343256.db2.gz SBQJVWXETDXHSX-DZGCQCFKSA-N 1 1 321.421 3.128 20 5 DGBDMO COc1cc(C[N@@H+](C)CCc2ccccc2)c([N+](=O)[O-])cc1F ZINC000184247032 432371803 /nfs/dbraw/zinc/37/18/03/432371803.db2.gz JBXWDYRGEXQOCA-UHFFFAOYSA-N 1 1 318.348 3.417 20 5 DGBDMO C[C@@H](Nc1ncc([N+](=O)[O-])s1)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC000192525941 432383301 /nfs/dbraw/zinc/38/33/01/432383301.db2.gz CRQVOYWZNGTJOG-GHMZBOCLSA-N 1 1 310.423 3.116 20 5 DGBDMO O=[N+]([O-])c1cc(C[NH2+][C@@H](CCO)c2ccco2)ccc1Cl ZINC000184507993 432399994 /nfs/dbraw/zinc/39/99/94/432399994.db2.gz FHWUASFRCWZKQE-LBPRGKRZSA-N 1 1 310.737 3.055 20 5 DGBDMO C[C@H](C(=O)Nc1ccccc1[N+](=O)[O-])[N@H+]1CCC[C@@H](C)CC1 ZINC000249842742 432359023 /nfs/dbraw/zinc/35/90/23/432359023.db2.gz YHUJUZXJOAEXMY-CHWSQXEVSA-N 1 1 305.378 3.044 20 5 DGBDMO C[C@H]1C[N@@H+](Cc2ccc(-c3cccc([N+](=O)[O-])c3)o2)CC[C@H]1O ZINC000250081602 432364515 /nfs/dbraw/zinc/36/45/15/432364515.db2.gz PFMHNSLPRXTFNE-BLLLJJGKSA-N 1 1 316.357 3.058 20 5 DGBDMO COc1cc(C[N@H+](C)Cc2ccccc2)c([N+](=O)[O-])cc1F ZINC000184233776 432369448 /nfs/dbraw/zinc/36/94/48/432369448.db2.gz VFZXWBZVGXOLQR-UHFFFAOYSA-N 1 1 304.321 3.375 20 5 DGBDMO COc1cc(C[N@@H+](C)Cc2ccccc2)c([N+](=O)[O-])cc1F ZINC000184233776 432369453 /nfs/dbraw/zinc/36/94/53/432369453.db2.gz VFZXWBZVGXOLQR-UHFFFAOYSA-N 1 1 304.321 3.375 20 5 DGBDMO O=[N+]([O-])c1cc(C[N@@H+](C[C@H]2CCOC2)C2CC2)ccc1Cl ZINC000153433250 432408956 /nfs/dbraw/zinc/40/89/56/432408956.db2.gz XXEKUAWSKJICQS-GFCCVEGCSA-N 1 1 310.781 3.249 20 5 DGBDMO CC(C)c1ccc(C[N@@H+](C)CCn2ccc([N+](=O)[O-])n2)cc1 ZINC000176192575 432500286 /nfs/dbraw/zinc/50/02/86/432500286.db2.gz NKYZIIOOPOLPNT-UHFFFAOYSA-N 1 1 302.378 3.047 20 5 DGBDMO CC[C@H]1[C@H](C)CC[N@H+]1Cc1cc([N+](=O)[O-])cc2c1OCOC2 ZINC000185611025 432514865 /nfs/dbraw/zinc/51/48/65/432514865.db2.gz JKTHOIUMUNZHNB-ABAIWWIYSA-N 1 1 306.362 3.082 20 5 DGBDMO O=[N+]([O-])c1ccc(Cl)cc1C[NH+]1CCC(CCCO)CC1 ZINC000273059401 432544943 /nfs/dbraw/zinc/54/49/43/432544943.db2.gz ZUVQNWZKMWRLFQ-UHFFFAOYSA-N 1 1 312.797 3.233 20 5 DGBDMO COCC[C@@H]([NH2+]Cc1cc([N+](=O)[O-])ccc1OC)c1ccco1 ZINC000273313421 432582046 /nfs/dbraw/zinc/58/20/46/432582046.db2.gz UYKUXEVRYZGPGN-CQSZACIVSA-N 1 1 320.345 3.064 20 5 DGBDMO CC(C)(C)OC(=O)C1CC[NH+](Cc2ccccc2[N+](=O)[O-])CC1 ZINC000263874198 432586979 /nfs/dbraw/zinc/58/69/79/432586979.db2.gz HKJZLYRGBAOWOZ-UHFFFAOYSA-N 1 1 320.389 3.149 20 5 DGBDMO Cc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@H+](C)[C@@H](C)C(C)C ZINC000263962802 432598276 /nfs/dbraw/zinc/59/82/76/432598276.db2.gz PQRANBKBDHCOMO-ZDUSSCGKSA-N 1 1 307.394 3.208 20 5 DGBDMO C[C@H]([N@@H+](C)Cc1nc(-c2cccc([N+](=O)[O-])c2)no1)C1(C)CC1 ZINC000177215889 432599673 /nfs/dbraw/zinc/59/96/73/432599673.db2.gz DCHQKDCTLOAYSM-NSHDSACASA-N 1 1 316.361 3.265 20 5 DGBDMO Cc1cccc(N2CCC[N@H+](C3CCCC3)CC2)c1[N+](=O)[O-] ZINC000188382670 432721423 /nfs/dbraw/zinc/72/14/23/432721423.db2.gz ZNKUCHKYYXKHPK-UHFFFAOYSA-N 1 1 303.406 3.358 20 5 DGBDMO CC[C@H](C)C[N@@H+](CC)CCC(=O)Nc1ccccc1[N+](=O)[O-] ZINC000160581566 432730134 /nfs/dbraw/zinc/73/01/34/432730134.db2.gz MMJZTQICBMYBDA-ZDUSSCGKSA-N 1 1 307.394 3.291 20 5 DGBDMO CCC(C)(C)[N@@H+](C)CCC(=O)Nc1cc([N+](=O)[O-])ccc1F ZINC000275628293 432736843 /nfs/dbraw/zinc/73/68/43/432736843.db2.gz PRULRTQELBQOQK-UHFFFAOYSA-N 1 1 311.357 3.183 20 5 DGBDMO CCCC[N@@H+](C)CC1CCN(c2ncc([N+](=O)[O-])cc2C)CC1 ZINC000267235164 432824824 /nfs/dbraw/zinc/82/48/24/432824824.db2.gz QQSSYLWIEDYPDJ-UHFFFAOYSA-N 1 1 320.437 3.247 20 5 DGBDMO Cc1cc([N+](=O)[O-])ccc1NC(=O)C[N@H+]1CCC[C@@H]2CCC[C@H]21 ZINC000245441229 432832602 /nfs/dbraw/zinc/83/26/02/432832602.db2.gz HDULZPMMDJAXCT-XJKSGUPXSA-N 1 1 317.389 3.106 20 5 DGBDMO COc1ccc(C[N@@H+](C)Cc2ccc([N+](=O)[O-])c(F)c2)cc1 ZINC000276359915 432801742 /nfs/dbraw/zinc/80/17/42/432801742.db2.gz YMDHPGLWBVJMOH-UHFFFAOYSA-N 1 1 304.321 3.375 20 5 DGBDMO C[C@@H]1CC[N@@H+](Cc2coc(-c3ccc([N+](=O)[O-])cc3)n2)[C@H]1C ZINC000246001734 432874240 /nfs/dbraw/zinc/87/42/40/432874240.db2.gz YHSDTKYOJNHRLS-NEPJUHHUSA-N 1 1 301.346 3.480 20 5 DGBDMO CC(=O)c1cc(NC[C@@H]2CC[N@H+](CC(C)C)C2)ccc1[N+](=O)[O-] ZINC000288084209 432886174 /nfs/dbraw/zinc/88/61/74/432886174.db2.gz ZMLNUXVTHAGURX-AWEZNQCLSA-N 1 1 319.405 3.187 20 5 DGBDMO CC(C)c1ccc(CN[C@H]2CC[N@@H+](C)[C@H](C)C2)cc1[N+](=O)[O-] ZINC000330680310 432924964 /nfs/dbraw/zinc/92/49/64/432924964.db2.gz YKDGLYRCUKRESL-HIFRSBDPSA-N 1 1 305.422 3.291 20 5 DGBDMO CC(C)c1ccc(C[NH2+][C@H]2CCN(C)[C@H](C)C2)cc1[N+](=O)[O-] ZINC000330680310 432924967 /nfs/dbraw/zinc/92/49/67/432924967.db2.gz YKDGLYRCUKRESL-HIFRSBDPSA-N 1 1 305.422 3.291 20 5 DGBDMO CCOc1cc(C[N@@H+]2CCS[C@@H](CC)C2)ccc1[N+](=O)[O-] ZINC000331142782 432932449 /nfs/dbraw/zinc/93/24/49/432932449.db2.gz FYAVDGKESQSWHF-ZDUSSCGKSA-N 1 1 310.419 3.321 20 5 DGBDMO CCOc1cc(C[N@H+]2CCS[C@@H](CC)C2)ccc1[N+](=O)[O-] ZINC000331142782 432932453 /nfs/dbraw/zinc/93/24/53/432932453.db2.gz FYAVDGKESQSWHF-ZDUSSCGKSA-N 1 1 310.419 3.321 20 5 DGBDMO C[C@@H](O)[C@@H]1C[C@H](C)CC[N@H+]1Cc1ccc(Cl)cc1[N+](=O)[O-] ZINC000331275941 432938465 /nfs/dbraw/zinc/93/84/65/432938465.db2.gz FKPSNMIRQFIFKV-GYSYKLTISA-N 1 1 312.797 3.230 20 5 DGBDMO O=[N+]([O-])c1ccc(N[C@@H]2CC[N@@H+](CCC3CCCC3)C2)nc1 ZINC000331523103 432946972 /nfs/dbraw/zinc/94/69/72/432946972.db2.gz ZJQNALQJPDWLFQ-CQSZACIVSA-N 1 1 304.394 3.056 20 5 DGBDMO O=C(C[N@@H+]1CCCC2(CCCC2)C1)Nc1ccccc1[N+](=O)[O-] ZINC000331555667 432949091 /nfs/dbraw/zinc/94/90/91/432949091.db2.gz MTNJXTVEDIROOP-UHFFFAOYSA-N 1 1 317.389 3.190 20 5 DGBDMO O=C(C[N@H+]1CCCC2(CCCC2)C1)Nc1ccccc1[N+](=O)[O-] ZINC000331555667 432949095 /nfs/dbraw/zinc/94/90/95/432949095.db2.gz MTNJXTVEDIROOP-UHFFFAOYSA-N 1 1 317.389 3.190 20 5 DGBDMO CCCC[N@@H+](C)C[C@H](C)Nc1ncnc2cccc([N+](=O)[O-])c21 ZINC000341149607 432977302 /nfs/dbraw/zinc/97/73/02/432977302.db2.gz TXYPTVIOYQUOLT-LBPRGKRZSA-N 1 1 317.393 3.070 20 5 DGBDMO CC(C)[C@@H]1CCCC[N@H+]1Cc1nc2cc([N+](=O)[O-])ccc2[nH]1 ZINC000332231562 432988463 /nfs/dbraw/zinc/98/84/63/432988463.db2.gz MECAACSGYSBAEJ-HNNXBMFYSA-N 1 1 302.378 3.482 20 5 DGBDMO C[C@H]1CC[N@@H+](Cc2cc([N+](=O)[O-])cc3c2OCOC3)CC1(C)C ZINC000332231043 432989011 /nfs/dbraw/zinc/98/90/11/432989011.db2.gz QDHPFNUFGIDZBN-LBPRGKRZSA-N 1 1 320.389 3.329 20 5 DGBDMO O=[N+]([O-])c1ccc(C[N@@H+](Cc2c[nH]c3nccnc23)C2CC2)cc1 ZINC000290366170 433041170 /nfs/dbraw/zinc/04/11/70/433041170.db2.gz HFQQXLYDXLWSAB-UHFFFAOYSA-N 1 1 323.356 3.031 20 5 DGBDMO O=[N+]([O-])c1ccc(C[N@H+]2CC3(CCOCC3)[C@H]2C2CC2)c(F)c1 ZINC000354429432 433074521 /nfs/dbraw/zinc/07/45/21/433074521.db2.gz LULGMUAQWRNFSB-MRXNPFEDSA-N 1 1 320.364 3.125 20 5 DGBDMO CSCC[C@@H](C)[N@@H+](C)Cc1nc2cc([N+](=O)[O-])ccc2[nH]1 ZINC000361275200 433077596 /nfs/dbraw/zinc/07/75/96/433077596.db2.gz VOMDWDKHJVBJFP-SNVBAGLBSA-N 1 1 308.407 3.045 20 5 DGBDMO Cc1ccc(N2CCC[C@@H](c3[nH+]ccn3C)C2)c([N+](=O)[O-])c1 ZINC000373059487 433085393 /nfs/dbraw/zinc/08/53/93/433085393.db2.gz QPOXADJEAVWLJF-CYBMUJFWSA-N 1 1 300.362 3.021 20 5 DGBDMO CC1(C)C[N@@H+](CCC(=O)Nc2ccccc2[N+](=O)[O-])[C@H]1C1CC1 ZINC000290749469 433154784 /nfs/dbraw/zinc/15/47/84/433154784.db2.gz INXZIVPRWJEPPZ-INIZCTEOSA-N 1 1 317.389 3.044 20 5 DGBDMO O=[N+]([O-])c1ccccc1C[NH+]1CCC(Oc2ccccn2)CC1 ZINC000350557366 433207764 /nfs/dbraw/zinc/20/77/64/433207764.db2.gz LNXUVKPJYMJCKM-UHFFFAOYSA-N 1 1 313.357 3.033 20 5 DGBDMO CCC[C@]1(COC)CCC[N@H+]1CCc1ccc([N+](=O)[O-])cc1 ZINC000447400278 433196423 /nfs/dbraw/zinc/19/64/23/433196423.db2.gz ZKFISHQTCZEWTP-QGZVFWFLSA-N 1 1 306.406 3.418 20 5 DGBDMO CCC[C@@]1(COC)CCC[N@H+]1CCc1ccc([N+](=O)[O-])cc1 ZINC000447400277 433196905 /nfs/dbraw/zinc/19/69/05/433196905.db2.gz ZKFISHQTCZEWTP-KRWDZBQOSA-N 1 1 306.406 3.418 20 5 DGBDMO COc1ccc(C[N@@H+](C)C2CC(OC(C)(C)C)C2)cc1[N+](=O)[O-] ZINC000341665700 433199449 /nfs/dbraw/zinc/19/94/49/433199449.db2.gz MKIVFSBHJSBZPL-UHFFFAOYSA-N 1 1 322.405 3.381 20 5 DGBDMO C[C@H]1CCC[N@H+](CCN[C@H]2CCCc3ccc([N+](=O)[O-])cc32)C1 ZINC000447550423 433223692 /nfs/dbraw/zinc/22/36/92/433223692.db2.gz NAKPTNGDLQGMHO-KSSFIOAISA-N 1 1 317.433 3.294 20 5 DGBDMO C[C@H]1CCC[N@@H+](CCN[C@H]2CCCc3ccc([N+](=O)[O-])cc32)C1 ZINC000447550423 433223700 /nfs/dbraw/zinc/22/37/00/433223700.db2.gz NAKPTNGDLQGMHO-KSSFIOAISA-N 1 1 317.433 3.294 20 5 DGBDMO CON1CCC([N@@H+](C)Cc2ccc(C(C)C)c([N+](=O)[O-])c2)CC1 ZINC000453611096 433235497 /nfs/dbraw/zinc/23/54/97/433235497.db2.gz ZBLURZREBUMITO-UHFFFAOYSA-N 1 1 321.421 3.176 20 5 DGBDMO CCC1CCC([N@@H+](CCn2cc([N+](=O)[O-])cn2)C2CC2)CC1 ZINC000350671294 433253201 /nfs/dbraw/zinc/25/32/01/433253201.db2.gz WLNPXGXDWOESQN-UHFFFAOYSA-N 1 1 306.410 3.225 20 5 DGBDMO O=[N+]([O-])c1ccc2[nH]c(C[N@@H+](CC3CC3)C3CCC3)nc2c1 ZINC000361580616 433258896 /nfs/dbraw/zinc/25/88/96/433258896.db2.gz ZTPYCYXDIXZJAF-UHFFFAOYSA-N 1 1 300.362 3.236 20 5 DGBDMO Cc1cccc([N+](=O)[O-])c1NC(=O)C[N@@H+](CC1CC1)C1CCC1 ZINC000361578236 433258927 /nfs/dbraw/zinc/25/89/27/433258927.db2.gz OAFSDIKHNQHRKW-UHFFFAOYSA-N 1 1 317.389 3.106 20 5 DGBDMO C[N@@H+]1CCCC(C)(C)[C@H]1CNC/C=C/c1ccccc1[N+](=O)[O-] ZINC000447906287 433320116 /nfs/dbraw/zinc/32/01/16/433320116.db2.gz XAVBVDLJAXVVLP-RCMYXZNBSA-N 1 1 317.433 3.318 20 5 DGBDMO C[N@H+]1CCCC(C)(C)[C@H]1CNC/C=C/c1ccccc1[N+](=O)[O-] ZINC000447906287 433320123 /nfs/dbraw/zinc/32/01/23/433320123.db2.gz XAVBVDLJAXVVLP-RCMYXZNBSA-N 1 1 317.433 3.318 20 5 DGBDMO C[N@@H+](CCNc1c(F)cccc1[N+](=O)[O-])Cc1ccccc1 ZINC000341817758 433294190 /nfs/dbraw/zinc/29/41/90/433294190.db2.gz BKYINTBKMXWSLC-UHFFFAOYSA-N 1 1 303.337 3.278 20 5 DGBDMO C[N@@H+](CCCO)Cc1ccc(-c2ccc([N+](=O)[O-])cc2)s1 ZINC000281729276 433363457 /nfs/dbraw/zinc/36/34/57/433363457.db2.gz JEQCNIRXDKIXHG-UHFFFAOYSA-N 1 1 306.387 3.138 20 5 DGBDMO Cc1ccc(C[N@H+]2CCC3(CCOCC3)[C@@H]2C)cc1[N+](=O)[O-] ZINC000375236303 433391625 /nfs/dbraw/zinc/39/16/25/433391625.db2.gz FPONEUSHRVBOEO-AWEZNQCLSA-N 1 1 304.390 3.294 20 5 DGBDMO O=[N+]([O-])c1cc(Cl)ccc1C[N@@H+]1CCC[C@@H](CCO)CC1 ZINC000421020994 433391639 /nfs/dbraw/zinc/39/16/39/433391639.db2.gz RWAIRVHMQBGFEV-GFCCVEGCSA-N 1 1 312.797 3.233 20 5 DGBDMO O=[N+]([O-])c1c(F)cccc1NCC[N@H+]1CCc2ccccc2C1 ZINC000301057232 433397206 /nfs/dbraw/zinc/39/72/06/433397206.db2.gz ANWFUVXLCZCCTE-UHFFFAOYSA-N 1 1 315.348 3.204 20 5 DGBDMO CO[C@@H]1CC[N@@H+](Cc2cc([N+](=O)[O-])ccc2OC(C)C)[C@@H](C)C1 ZINC000281860780 433409275 /nfs/dbraw/zinc/40/92/75/433409275.db2.gz ALUZVHARBLHNQK-XJKSGUPXSA-N 1 1 322.405 3.381 20 5 DGBDMO CCOc1ccc([C@@H](C)[NH2+][C@H](C)c2ccn(C)n2)cc1[N+](=O)[O-] ZINC000414168928 433436816 /nfs/dbraw/zinc/43/68/16/433436816.db2.gz ARNINARIBKBIOS-VXGBXAGGSA-N 1 1 318.377 3.139 20 5 DGBDMO C[C@@H]1CN(Cc2cc(O)ccc2[N+](=O)[O-])Cc2ccccc2O1 ZINC000339213101 433443135 /nfs/dbraw/zinc/44/31/35/433443135.db2.gz POXMBMLWDNQOQI-GFCCVEGCSA-N 1 1 314.341 3.084 20 5 DGBDMO Cc1ccc([N+](=O)[O-])cc1[C@H](C)[NH2+]Cc1cn2ccccc2n1 ZINC000159420987 292792509 /nfs/dbraw/zinc/79/25/09/292792509.db2.gz GULAQMAPFFQZAO-ZDUSSCGKSA-N 1 1 310.357 3.402 20 5 DGBDMO C[C@H](C[N@H+]1CCC[C@@H](C)C1)Nc1ncc([N+](=O)[O-])cc1Cl ZINC000301248414 433469826 /nfs/dbraw/zinc/46/98/26/433469826.db2.gz AGOJLLWKMPJJSK-GHMZBOCLSA-N 1 1 312.801 3.176 20 5 DGBDMO C[N@H+]1CC[C@H]2[C@@H](CCCN2c2ccc([N+](=O)[O-])cc2Cl)C1 ZINC000301744514 290240042 /nfs/dbraw/zinc/24/00/42/290240042.db2.gz ZXXCXQSEVJHVTB-FZMZJTMJSA-N 1 1 309.797 3.169 20 5 DGBDMO C[C@H](c1ccccc1[N+](=O)[O-])[N@H+]1CCC[C@@H]1[C@@H]1CCC[C@@H]1O ZINC000451421934 290267303 /nfs/dbraw/zinc/26/73/03/290267303.db2.gz QRPMZYDADNHSES-JWDQPFGJSA-N 1 1 304.390 3.281 20 5 DGBDMO CN(c1ccc(C(F)(F)F)cc1[N+](=O)[O-])[C@@H]1CCC[N@@H+](C)C1 ZINC000301342866 433513655 /nfs/dbraw/zinc/51/36/55/433513655.db2.gz JIARRWKSOLGNQU-LLVKDONJSA-N 1 1 317.311 3.144 20 5 DGBDMO Cc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@H+]1CC[C@@H]2CCC[C@H]21 ZINC000426456226 433500989 /nfs/dbraw/zinc/50/09/89/433500989.db2.gz DBLNPKJHOYLXJO-XJKSGUPXSA-N 1 1 317.389 3.106 20 5 DGBDMO CO[C@H]1[C@H]2[C@H]3C[C@@H]1C[C@@H]3C[N@H+]2Cc1ccc(Cl)cc1[N+](=O)[O-] ZINC000375746099 433552874 /nfs/dbraw/zinc/55/28/74/433552874.db2.gz WXUPXTNCTJUJTL-BOOVAVIHSA-N 1 1 322.792 3.103 20 5 DGBDMO Cn1cnc([N+](=O)[O-])c1C[NH2+][C@H](c1cccc(F)c1)C(C)(C)C ZINC000342246538 433562490 /nfs/dbraw/zinc/56/24/90/433562490.db2.gz RVVNMACXJSOQQO-CQSZACIVSA-N 1 1 320.368 3.344 20 5 DGBDMO Cc1cnc(NCC(C)(C)[N@H+]2CCC[C@H](C)C2)c([N+](=O)[O-])c1 ZINC000301414180 433542539 /nfs/dbraw/zinc/54/25/39/433542539.db2.gz BIUXWWASZAKPAZ-LBPRGKRZSA-N 1 1 306.410 3.221 20 5 DGBDMO C/C(=C\c1cccc([N+](=O)[O-])c1)C[N@H+]1CCCO[C@@H](CF)C1 ZINC000414478882 433644577 /nfs/dbraw/zinc/64/45/77/433644577.db2.gz QEIDZXQWVOFHAB-OIQJVACTSA-N 1 1 308.353 3.059 20 5 DGBDMO CCOc1ccc([N+](=O)[O-])cc1C[N@@H+](CCOC)CC(C)C ZINC000351596985 433603381 /nfs/dbraw/zinc/60/33/81/433603381.db2.gz HURHWQFQANSGMI-UHFFFAOYSA-N 1 1 310.394 3.098 20 5 DGBDMO Cc1nc(NCCC[N@H+](C)C2CCCCC2)ccc1[N+](=O)[O-] ZINC000301665866 433666776 /nfs/dbraw/zinc/66/67/76/433666776.db2.gz WQBIDHKFNBHEJY-UHFFFAOYSA-N 1 1 306.410 3.365 20 5 DGBDMO C[NH+](C)CCCC1CCN(Cc2ccc([N+](=O)[O-])c(F)c2)CC1 ZINC000283189363 433684931 /nfs/dbraw/zinc/68/49/31/433684931.db2.gz QOPJRFIKCCUWFK-UHFFFAOYSA-N 1 1 323.412 3.288 20 5 DGBDMO O=C(CC[N@H+]1CCC[C@H]2CCC[C@H]21)Nc1ccccc1[N+](=O)[O-] ZINC000283196288 433690561 /nfs/dbraw/zinc/69/05/61/433690561.db2.gz GCATYVZKSSWEKX-UKRRQHHQSA-N 1 1 317.389 3.188 20 5 DGBDMO COc1cccc(C[N@H+](C)Cc2ccc([N+](=O)[O-])c(F)c2)c1 ZINC000283351704 433709989 /nfs/dbraw/zinc/70/99/89/433709989.db2.gz BHBMMCLTBOLNAW-UHFFFAOYSA-N 1 1 304.321 3.375 20 5 DGBDMO COc1cccc(C[N@@H+](C)Cc2ccc([N+](=O)[O-])c(F)c2)c1 ZINC000283351704 433709995 /nfs/dbraw/zinc/70/99/95/433709995.db2.gz BHBMMCLTBOLNAW-UHFFFAOYSA-N 1 1 304.321 3.375 20 5 DGBDMO O=[N+]([O-])c1cccc(F)c1C[NH+]1CCC(OCC2CC2)CC1 ZINC000362440827 433716042 /nfs/dbraw/zinc/71/60/42/433716042.db2.gz SHOIPQSFNGKGAB-UHFFFAOYSA-N 1 1 308.353 3.125 20 5 DGBDMO COC[C@H]1CCCC[N@@H+](Cc2ccc(Cl)c([N+](=O)[O-])c2)C1 ZINC000376367330 433721605 /nfs/dbraw/zinc/72/16/05/433721605.db2.gz KXQBSVOPRNYTIE-ZDUSSCGKSA-N 1 1 312.797 3.497 20 5 DGBDMO CCCCOC1CC[NH+](Cc2cc([N+](=O)[O-])ccc2OC)CC1 ZINC000362456480 433727104 /nfs/dbraw/zinc/72/71/04/433727104.db2.gz VYXISICBKRSNBB-UHFFFAOYSA-N 1 1 322.405 3.385 20 5 DGBDMO O=[N+]([O-])c1ccc2[nH]c(C[N@H+]3CC[C@@H](CC4CC4)C3)nc2c1 ZINC000339682737 433728635 /nfs/dbraw/zinc/72/86/35/433728635.db2.gz LIIURTIFVSGYPP-LBPRGKRZSA-N 1 1 300.362 3.093 20 5 DGBDMO C[C@H](C(=O)Nc1cccc([N+](=O)[O-])c1)[N@H+]1CC[C@@H](CC2CC2)C1 ZINC000339685306 433731032 /nfs/dbraw/zinc/73/10/32/433731032.db2.gz YEKXQUGIJXALOM-OCCSQVGLSA-N 1 1 317.389 3.044 20 5 DGBDMO Cn1cc([C@H]([NH2+]Cc2cccc([N+](=O)[O-])c2)c2ccccc2)cn1 ZINC000374610339 293424318 /nfs/dbraw/zinc/42/43/18/293424318.db2.gz GVAVXIHYQIGMSL-GOSISDBHSA-N 1 1 322.368 3.208 20 5 DGBDMO CC(C)[C@@H]1CCC[N@H+]1CCC(=O)Nc1ccccc1[N+](=O)[O-] ZINC000283531916 433738291 /nfs/dbraw/zinc/73/82/91/433738291.db2.gz NWWMYAIUPPYZDT-AWEZNQCLSA-N 1 1 305.378 3.044 20 5 DGBDMO CCc1nc(N[C@H](C)c2ccc(C)c([N+](=O)[O-])c2)cc(C)[nH+]1 ZINC000342786493 433757117 /nfs/dbraw/zinc/75/71/17/433757117.db2.gz MJTULTZLOKBXLU-GFCCVEGCSA-N 1 1 300.362 3.737 20 5 DGBDMO C[C@@H]1[C@@H](C)C[N@H+]1CCc1ncc(-c2cccc([N+](=O)[O-])c2)o1 ZINC000293503227 433762683 /nfs/dbraw/zinc/76/26/83/433762683.db2.gz UPKFFBUWEVHGBO-NWDGAFQWSA-N 1 1 301.346 3.133 20 5 DGBDMO CCCN(CCC)C(=O)C[NH2+]C(C)(C)c1ccccc1[N+](=O)[O-] ZINC000429252999 433774133 /nfs/dbraw/zinc/77/41/33/433774133.db2.gz JGBKLWCXTLQPDJ-UHFFFAOYSA-N 1 1 321.421 3.068 20 5 DGBDMO CC[N@H+]1CCCC[C@@H]1CNc1ccc([N+](=O)[O-])c(C(C)=O)c1 ZINC000283849004 433788673 /nfs/dbraw/zinc/78/86/73/433788673.db2.gz UAFZWGQWYKKZHN-CQSZACIVSA-N 1 1 305.378 3.084 20 5 DGBDMO CC1(C)CCC[N@H+]1CCNCc1ccc([N+](=O)[O-])cc1Cl ZINC000449780876 433791087 /nfs/dbraw/zinc/79/10/87/433791087.db2.gz GTHRMTSGEGHCOO-UHFFFAOYSA-N 1 1 311.813 3.212 20 5 DGBDMO C[C@H]1[C@@H](Nc2ccc3ncccc3c2[N+](=O)[O-])CCC[N@H+]1C ZINC000343424068 433806839 /nfs/dbraw/zinc/80/68/39/433806839.db2.gz CIDIWZACOJMOLC-AAEUAGOBSA-N 1 1 300.362 3.038 20 5 DGBDMO C[C@@H]1[C@@H](Nc2ccc([N+](=O)[O-])c3cnccc23)CCC[N@H+]1C ZINC000343480380 433808794 /nfs/dbraw/zinc/80/87/94/433808794.db2.gz QWHQUWVJKMKFSG-RISCZKNCSA-N 1 1 300.362 3.038 20 5 DGBDMO CCC[N@@H+](CC)C[C@H](C)NC(=O)c1cc([N+](=O)[O-])c(C)cc1C ZINC000421922105 433809144 /nfs/dbraw/zinc/80/91/44/433809144.db2.gz ZSEGTZIWVHXKLY-AWEZNQCLSA-N 1 1 321.421 3.062 20 5 DGBDMO CC[C@H](C)[N@@H+](C)CCNC(=O)c1ccc(C(C)C)c([N+](=O)[O-])c1 ZINC000352038613 433876748 /nfs/dbraw/zinc/87/67/48/433876748.db2.gz KHOGGRMHENHLKA-ZDUSSCGKSA-N 1 1 321.421 3.178 20 5 DGBDMO C[C@@H](C1CCC1)[N@@H+](C)Cc1nc(-c2cccc([N+](=O)[O-])c2)no1 ZINC000357034830 433832921 /nfs/dbraw/zinc/83/29/21/433832921.db2.gz JKHDFLUOXDGCAW-NSHDSACASA-N 1 1 316.361 3.265 20 5 DGBDMO C[C@H](CCNc1ncccc1[N+](=O)[O-])[N@@H+](C)Cc1ccccc1 ZINC000343884919 433833960 /nfs/dbraw/zinc/83/39/60/433833960.db2.gz PLAYRZOKDONAOH-CQSZACIVSA-N 1 1 314.389 3.312 20 5 DGBDMO CC(C)[N@@H+](C)CCN[C@H]1CC(C)(C)c2ccc([N+](=O)[O-])cc21 ZINC000433123577 433840557 /nfs/dbraw/zinc/84/05/57/433840557.db2.gz ZOADWNMZIJYGBO-INIZCTEOSA-N 1 1 305.422 3.247 20 5 DGBDMO CC(C)N(C)CC[NH2+][C@H]1CC(C)(C)c2ccc([N+](=O)[O-])cc21 ZINC000433123577 433840567 /nfs/dbraw/zinc/84/05/67/433840567.db2.gz ZOADWNMZIJYGBO-INIZCTEOSA-N 1 1 305.422 3.247 20 5 DGBDMO C[C@H](CN[C@H]1CC(C)(C)c2ccc([N+](=O)[O-])cc21)[N@H+](C)C1CC1 ZINC000433125502 433841486 /nfs/dbraw/zinc/84/14/86/433841486.db2.gz KRSPWXOKQOUQBQ-PXAZEXFGSA-N 1 1 317.433 3.390 20 5 DGBDMO C[C@H](CN[C@H]1CC(C)(C)c2ccc([N+](=O)[O-])cc21)[N@@H+](C)C1CC1 ZINC000433125502 433841495 /nfs/dbraw/zinc/84/14/95/433841495.db2.gz KRSPWXOKQOUQBQ-PXAZEXFGSA-N 1 1 317.433 3.390 20 5 DGBDMO C[C@H](CCN(C)C)[NH2+][C@H]1CC(C)(C)c2ccc([N+](=O)[O-])cc21 ZINC000433166122 433843775 /nfs/dbraw/zinc/84/37/75/433843775.db2.gz WWNFJNXMXHBWHS-WBMJQRKESA-N 1 1 305.422 3.247 20 5 DGBDMO C[NH+](C)[C@@H](CN[C@H]1CC(C)(C)c2ccc([N+](=O)[O-])cc21)C1CC1 ZINC000433160613 433844334 /nfs/dbraw/zinc/84/43/34/433844334.db2.gz WAZJJIJEXFBMQD-IRXDYDNUSA-N 1 1 317.433 3.247 20 5 DGBDMO CCC(N)(CC)C[NH2+][C@@H]1CCC[C@H]1Cc1ccccc1[N+](=O)[O-] ZINC000414812815 433854616 /nfs/dbraw/zinc/85/46/16/433854616.db2.gz RXICCJOOQJQHQK-GOEBONIOSA-N 1 1 319.449 3.413 20 5 DGBDMO O=[N+]([O-])c1cccc(-c2ccc(C[N@@H+]3CCC[C@H](O)CC3)o2)c1 ZINC000293870472 433901372 /nfs/dbraw/zinc/90/13/72/433901372.db2.gz CMEOUDXUFYGULT-HNNXBMFYSA-N 1 1 316.357 3.202 20 5 DGBDMO Cc1ccnc(NCCC[N@H+](C)Cc2ccccc2)c1[N+](=O)[O-] ZINC000303081325 433920249 /nfs/dbraw/zinc/92/02/49/433920249.db2.gz UBOKDIQMXLZQLR-UHFFFAOYSA-N 1 1 314.389 3.232 20 5 DGBDMO CC[N@@H+](CCNc1cc(C(F)(F)F)ncc1[N+](=O)[O-])C(C)C ZINC000436406760 433962493 /nfs/dbraw/zinc/96/24/93/433962493.db2.gz RSKQEQLDSXNJGL-UHFFFAOYSA-N 1 1 320.315 3.151 20 5 DGBDMO CC[N@H+]1CCC[C@@H]1CNc1ccc([N+](=O)[O-])cc1OC(F)F ZINC000450215585 434036274 /nfs/dbraw/zinc/03/62/74/434036274.db2.gz KXDDSRWOEFLZOH-LLVKDONJSA-N 1 1 315.320 3.092 20 5 DGBDMO C[C@@H](c1ccccc1)[C@@H](O)C[N@@H+](C)Cc1ccccc1[N+](=O)[O-] ZINC000450226511 434038435 /nfs/dbraw/zinc/03/84/35/434038435.db2.gz LHVRDUOVGHXWNT-KSSFIOAISA-N 1 1 314.385 3.191 20 5 DGBDMO O=C(C[N@@H+]1CCC[C@H]1C1CC1)Nc1ccc([N+](=O)[O-])cc1Cl ZINC000363384638 434039479 /nfs/dbraw/zinc/03/94/79/434039479.db2.gz NJMFGXVBPQXOFO-AWEZNQCLSA-N 1 1 323.780 3.061 20 5 DGBDMO O=C(C[N@H+]1CCC[C@H]1C1CC1)Nc1ccc([N+](=O)[O-])cc1Cl ZINC000363384638 434039486 /nfs/dbraw/zinc/03/94/86/434039486.db2.gz NJMFGXVBPQXOFO-AWEZNQCLSA-N 1 1 323.780 3.061 20 5 DGBDMO CC[C@@H]1CC[C@@H](C)[N@H+]1CCC(=O)Nc1cccc([N+](=O)[O-])c1C ZINC000357524155 434063880 /nfs/dbraw/zinc/06/38/80/434063880.db2.gz AUQCTDRHOILPBX-TZMCWYRMSA-N 1 1 319.405 3.495 20 5 DGBDMO O=[N+]([O-])c1cc(Cl)ccc1C[NH+]1CCC(c2cn[nH]c2)CC1 ZINC000363485579 434072425 /nfs/dbraw/zinc/07/24/25/434072425.db2.gz ASIWBUCISKCYFL-UHFFFAOYSA-N 1 1 320.780 3.351 20 5 DGBDMO C[C@H]1C[C@@H](Nc2nccc3c2cccc3[N+](=O)[O-])CC[N@H+]1C ZINC000450353812 434122772 /nfs/dbraw/zinc/12/27/72/434122772.db2.gz HBPUTWCYKHMEBI-RYUDHWBXSA-N 1 1 300.362 3.038 20 5 DGBDMO CC[C@H](NCCCCc1ccc([N+](=O)[O-])cc1)[C@@H]1CCC[NH2+]1 ZINC000422926059 434111641 /nfs/dbraw/zinc/11/16/41/434111641.db2.gz WBFOPMSHTSFCSH-IRXDYDNUSA-N 1 1 305.422 3.038 20 5 DGBDMO Cn1ccnc1[C@@H]([NH2+]C[C@@H]1CC1(C)C)c1cccc([N+](=O)[O-])c1 ZINC000353405276 434112646 /nfs/dbraw/zinc/11/26/46/434112646.db2.gz RDWJWSYJQLRVLP-ZFWWWQNUSA-N 1 1 314.389 3.053 20 5 DGBDMO CC(C)[C@H]1CCC[N@@H+](CCC(=O)Nc2ccccc2[N+](=O)[O-])C1 ZINC000501929516 294154178 /nfs/dbraw/zinc/15/41/78/294154178.db2.gz QSEZPYWHJSVPSP-AWEZNQCLSA-N 1 1 319.405 3.291 20 5 DGBDMO CC(C)[C@@H]1CCC[N@@H+](CCC(=O)Nc2ccccc2[N+](=O)[O-])C1 ZINC000501929518 294154253 /nfs/dbraw/zinc/15/42/53/294154253.db2.gz QSEZPYWHJSVPSP-CQSZACIVSA-N 1 1 319.405 3.291 20 5 DGBDMO C[C@@H]([N@@H+](C)Cc1cc(Cl)cc(Cl)c1[N+](=O)[O-])C(C)(C)O ZINC000295075274 434181602 /nfs/dbraw/zinc/18/16/02/434181602.db2.gz CYIGDEKUNITWFC-MRVPVSSYSA-N 1 1 321.204 3.493 20 5 DGBDMO CCO[C@H]1C[C@@H]([N@@H+](C)CCc2ccc([N+](=O)[O-])cc2)C12CCC2 ZINC000357814925 434195169 /nfs/dbraw/zinc/19/51/69/434195169.db2.gz UXPLTLICFBVODW-SJORKVTESA-N 1 1 318.417 3.417 20 5 DGBDMO C[C@@H](CCc1ccccc1[N+](=O)[O-])[NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC000295114282 434209282 /nfs/dbraw/zinc/20/92/82/434209282.db2.gz WMPSUOGZRPQUEU-LNRIEFBSSA-N 1 1 317.433 3.131 20 5 DGBDMO C[C@@H](CCc1ccccc1[N+](=O)[O-])[NH2+]C1C[C@H]2CC[C@@H](C1)N2C ZINC000295114282 434209291 /nfs/dbraw/zinc/20/92/91/434209291.db2.gz WMPSUOGZRPQUEU-LNRIEFBSSA-N 1 1 317.433 3.131 20 5 DGBDMO CO[C@@H]1[C@H]2C[C@H]3C[N@@H+](Cc4ccc(Cl)c([N+](=O)[O-])c4)[C@H]1[C@H]3C2 ZINC000286258286 434210885 /nfs/dbraw/zinc/21/08/85/434210885.db2.gz AWPUXGNYYPBPQI-PVIIJVKYSA-N 1 1 322.792 3.103 20 5 DGBDMO CCOc1ccc([C@@H](C)N[C@H](C)C[N@@H+](C)C(C)C)cc1[N+](=O)[O-] ZINC000353579893 434248944 /nfs/dbraw/zinc/24/89/44/434248944.db2.gz VYGJJUZZSMQMAT-ZIAGYGMSSA-N 1 1 323.437 3.373 20 5 DGBDMO CCOc1ccc([C@@H](C)[NH2+][C@H](C)CN(C)C(C)C)cc1[N+](=O)[O-] ZINC000353579893 434248949 /nfs/dbraw/zinc/24/89/49/434248949.db2.gz VYGJJUZZSMQMAT-ZIAGYGMSSA-N 1 1 323.437 3.373 20 5 DGBDMO COCc1cccc(C[N@@H+]2CCc3ccc([N+](=O)[O-])cc3C2)c1 ZINC000353591218 434256240 /nfs/dbraw/zinc/25/62/40/434256240.db2.gz XANQMOUUIWDSPY-UHFFFAOYSA-N 1 1 312.369 3.300 20 5 DGBDMO COCc1cccc(C[N@H+]2CCc3ccc([N+](=O)[O-])cc3C2)c1 ZINC000353591218 434256249 /nfs/dbraw/zinc/25/62/49/434256249.db2.gz XANQMOUUIWDSPY-UHFFFAOYSA-N 1 1 312.369 3.300 20 5 DGBDMO COc1cc(C[N@H+]2CC[C@@H](c3ccco3)C2)c([N+](=O)[O-])cc1F ZINC000364079076 434227128 /nfs/dbraw/zinc/22/71/28/434227128.db2.gz JITRDHNNMFTXLO-LLVKDONJSA-N 1 1 320.320 3.325 20 5 DGBDMO CC(C)[N@@H+](C)C[C@@H](C)Nc1ccc2ncccc2c1[N+](=O)[O-] ZINC000390621931 434362456 /nfs/dbraw/zinc/36/24/56/434362456.db2.gz ORCWRDRYIWSEBI-GFCCVEGCSA-N 1 1 302.378 3.284 20 5 DGBDMO C[N@@H+](Cc1ccc(-c2cccc([N+](=O)[O-])c2)o1)[C@H]1CCC[C@H]1O ZINC000348562492 434401383 /nfs/dbraw/zinc/40/13/83/434401383.db2.gz ZRWJQPPKIXUWTB-JKSUJKDBSA-N 1 1 316.357 3.200 20 5 DGBDMO NC[C@H]([NH2+][C@@H]1CCCc2ccc([N+](=O)[O-])cc21)C1CCCC1 ZINC000423507240 434464324 /nfs/dbraw/zinc/46/43/24/434464324.db2.gz PVICZUAWPQZSCC-SJORKVTESA-N 1 1 303.406 3.079 20 5 DGBDMO CCC1(CC)CC[N@H+]([C@H](C)C(=O)Nc2ccccc2[N+](=O)[O-])C1 ZINC000438485696 434487724 /nfs/dbraw/zinc/48/77/24/434487724.db2.gz WGKWYMVSXHMTNX-CYBMUJFWSA-N 1 1 319.405 3.434 20 5 DGBDMO C[C@@H]1Cc2c([nH+]cn2CCOc2ccccc2[N+](=O)[O-])C[C@@H]1C ZINC000450994357 434519958 /nfs/dbraw/zinc/51/99/58/434519958.db2.gz CGGYCKCZJOTZFP-QWHCGFSZSA-N 1 1 315.373 3.241 20 5 DGBDMO C[C@@H]1Cc2c([nH+]cn2Cc2c(F)cc([N+](=O)[O-])cc2F)C[C@@H]1C ZINC000450995423 434525379 /nfs/dbraw/zinc/52/53/79/434525379.db2.gz DUSYHLWDCDTSNY-VHSXEESVSA-N 1 1 321.327 3.489 20 5 DGBDMO C[C@@H]1Cc2[nH+]cn(Cc3c(F)cc([N+](=O)[O-])cc3F)c2C[C@H]1C ZINC000450995421 434526674 /nfs/dbraw/zinc/52/66/74/434526674.db2.gz DUSYHLWDCDTSNY-NXEZZACHSA-N 1 1 321.327 3.489 20 5 DGBDMO Cc1ccc([N+](=O)[O-])cc1[C@@H](C)N1CC[N@H+](C2CC2)C[C@@H](C)C1 ZINC000451091937 434558637 /nfs/dbraw/zinc/55/86/37/434558637.db2.gz KVHBBCTYXHTUSM-DZGCQCFKSA-N 1 1 317.433 3.380 20 5 DGBDMO Cc1ccc([N+](=O)[O-])cc1[C@@H](C)[N@@H+]1CCN(C2CC2)C[C@@H](C)C1 ZINC000451091937 434558645 /nfs/dbraw/zinc/55/86/45/434558645.db2.gz KVHBBCTYXHTUSM-DZGCQCFKSA-N 1 1 317.433 3.380 20 5 DGBDMO Cc1ccc([N+](=O)[O-])cc1[C@@H](C)[N@H+]1CCN(C2CC2)C[C@@H](C)C1 ZINC000451091937 434558651 /nfs/dbraw/zinc/55/86/51/434558651.db2.gz KVHBBCTYXHTUSM-DZGCQCFKSA-N 1 1 317.433 3.380 20 5 DGBDMO CCO[C@@H]1C[C@H]([N@@H+](C)CCc2ccc([N+](=O)[O-])cc2)C1(C)C ZINC000525408842 295014758 /nfs/dbraw/zinc/01/47/58/295014758.db2.gz KWNCRKLZTRUXPC-JKSUJKDBSA-N 1 1 306.406 3.273 20 5 DGBDMO C[C@H](c1cnccn1)[N@H+]1CCC[C@H](c2ccc([N+](=O)[O-])cc2)C1 ZINC000451543762 434572464 /nfs/dbraw/zinc/57/24/64/434572464.db2.gz CQNMWXIVIFNJGI-HIFRSBDPSA-N 1 1 312.373 3.325 20 5 DGBDMO O=[N+]([O-])c1ccc2oc(C[N@H+]3CC[C@H](c4ccco4)C3)nc2c1 ZINC000360365090 434589637 /nfs/dbraw/zinc/58/96/37/434589637.db2.gz GDWYHAWULFOXSO-NSHDSACASA-N 1 1 313.313 3.319 20 5 DGBDMO C[C@H](NC(=O)CC[N@H+]1CCCC[C@@H]1C)c1ccc([N+](=O)[O-])cc1 ZINC000452575370 434650238 /nfs/dbraw/zinc/65/02/38/434650238.db2.gz QAEKEFYKUAUBNN-KBPBESRZSA-N 1 1 319.405 3.037 20 5 DGBDMO C[C@H]([NH2+]Cc1cc(C(F)(F)F)n[nH]1)c1cccc([N+](=O)[O-])c1 ZINC000440810270 434746466 /nfs/dbraw/zinc/74/64/66/434746466.db2.gz OWNMXBLWSLUCTB-QMMMGPOBSA-N 1 1 314.267 3.188 20 5 DGBDMO C[C@H](C[N@@H+](C)Cc1ccccc1[N+](=O)[O-])C(=O)OC(C)(C)C ZINC000459778914 434716657 /nfs/dbraw/zinc/71/66/57/434716657.db2.gz TYHBWEXIQNWQEE-GFCCVEGCSA-N 1 1 308.378 3.004 20 5 DGBDMO Cc1ccc([N+](=O)[O-])c(NC[C@H](C)[N@@H+](C)Cc2ccccc2)n1 ZINC000360883365 434719702 /nfs/dbraw/zinc/71/97/02/434719702.db2.gz NKRLPHMXXCWRPQ-AWEZNQCLSA-N 1 1 314.389 3.231 20 5 DGBDMO CC(C)C[N@@H+](CCC(=O)Nc1ccc([N+](=O)[O-])cc1)C1CC1 ZINC000411164110 434735171 /nfs/dbraw/zinc/73/51/71/434735171.db2.gz LRXFHVGNNZYKRR-UHFFFAOYSA-N 1 1 305.378 3.044 20 5 DGBDMO COc1ccc(OCC[N@@H+](C)Cc2ccccc2)cc1[N+](=O)[O-] ZINC000418999507 434736160 /nfs/dbraw/zinc/73/61/60/434736160.db2.gz UOOVQLKBYINKIC-UHFFFAOYSA-N 1 1 316.357 3.114 20 5 DGBDMO O=[N+]([O-])c1cc(C[N@H+]2Cc3ccc(O)cc3C3(CC3)C2)cs1 ZINC000361026161 434769368 /nfs/dbraw/zinc/76/93/68/434769368.db2.gz RLPPBTRJFSLCSG-UHFFFAOYSA-N 1 1 316.382 3.409 20 5 DGBDMO O=[N+]([O-])c1cc(C[N@@H+]2Cc3ccc(O)cc3C3(CC3)C2)cs1 ZINC000361026161 434769374 /nfs/dbraw/zinc/76/93/74/434769374.db2.gz RLPPBTRJFSLCSG-UHFFFAOYSA-N 1 1 316.382 3.409 20 5 DGBDMO O=[N+]([O-])c1cccc(C[N@H+]2CCC[C@@H](C[C@@H]3CCOC3)C2)c1 ZINC000361026514 434769763 /nfs/dbraw/zinc/76/97/63/434769763.db2.gz BCJKMIVNFQFFPA-HOCLYGCPSA-N 1 1 304.390 3.233 20 5 DGBDMO C[C@H](C1CCC1)[N@@H+](C)CCC(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000411428537 434778200 /nfs/dbraw/zinc/77/82/00/434778200.db2.gz KVUSUCDFJXIDTM-GFCCVEGCSA-N 1 1 305.378 3.044 20 5 DGBDMO Cc1c(NC(=O)[C@H](C)[N@H+]2C[C@H](C)[C@H](C)[C@H]2C)cccc1[N+](=O)[O-] ZINC000419381376 434780737 /nfs/dbraw/zinc/78/07/37/434780737.db2.gz YJUABSWJRYNSGZ-VTPLQMEGSA-N 1 1 319.405 3.207 20 5 DGBDMO C[C@H]1[C@@H](C)[N@H+](Cc2nc(-c3ccc([N+](=O)[O-])cc3)no2)C[C@H]1C ZINC000419379832 434781212 /nfs/dbraw/zinc/78/12/12/434781212.db2.gz XBBBCJXGCMTITR-IJLUTSLNSA-N 1 1 316.361 3.121 20 5 DGBDMO COC(=O)[C@]1(C)CCC[N@H+]([C@@H](C)c2cc([N+](=O)[O-])ccc2C)C1 ZINC000412058345 434863313 /nfs/dbraw/zinc/86/33/13/434863313.db2.gz AJYQUZGXXPGHJD-SUMWQHHRSA-N 1 1 320.389 3.239 20 5 DGBDMO CN(C(=O)C[N@H+]1CCCCC(C)(C)C1)c1ccc([N+](=O)[O-])cc1 ZINC000446064132 434845469 /nfs/dbraw/zinc/84/54/69/434845469.db2.gz UMWNXYUPDGHIKZ-UHFFFAOYSA-N 1 1 319.405 3.070 20 5 DGBDMO C[C@@H](C(=O)Nc1ccccc1[N+](=O)[O-])[N@H+]1CCCCC(C)(C)C1 ZINC000446071352 434846994 /nfs/dbraw/zinc/84/69/94/434846994.db2.gz MNUYVMBNGGEUMY-ZDUSSCGKSA-N 1 1 319.405 3.434 20 5 DGBDMO Cc1c(C[N@H+]2C[C@H](O)C[C@@H]2c2ccccc2)cccc1[N+](=O)[O-] ZINC000411956534 434847827 /nfs/dbraw/zinc/84/78/27/434847827.db2.gz WDPXDZBPQKXEGB-SJLPKXTDSA-N 1 1 312.369 3.211 20 5 DGBDMO CC[N@@H+](CCOc1ccc(OC)cc1[N+](=O)[O-])CC(C)(C)C ZINC000463363536 434954599 /nfs/dbraw/zinc/95/45/99/434954599.db2.gz BEZMOFXJKQCERJ-UHFFFAOYSA-N 1 1 310.394 3.350 20 5 DGBDMO CCOc1cc(C[N@H+]2CCC[C@@H]2CSC)ccc1[N+](=O)[O-] ZINC000492658641 435031625 /nfs/dbraw/zinc/03/16/25/435031625.db2.gz VNAWOKNGXDNWLW-CYBMUJFWSA-N 1 1 310.419 3.321 20 5 DGBDMO CC[C@@]1(C)CCC[N@H+](CC(=O)Nc2ccc([N+](=O)[O-])cc2C)C1 ZINC000464769576 434998718 /nfs/dbraw/zinc/99/87/18/434998718.db2.gz COMSLHQKGZAJEH-KRWDZBQOSA-N 1 1 319.405 3.354 20 5 DGBDMO CC[C@@]1(C)CCC[N@@H+](CC(=O)Nc2ccc([N+](=O)[O-])cc2C)C1 ZINC000464769576 434998722 /nfs/dbraw/zinc/99/87/22/434998722.db2.gz COMSLHQKGZAJEH-KRWDZBQOSA-N 1 1 319.405 3.354 20 5 DGBDMO CC[C@@]1(C)CCC[N@H+](CC(=O)Nc2cc([N+](=O)[O-])ccc2C)C1 ZINC000464775872 434998988 /nfs/dbraw/zinc/99/89/88/434998988.db2.gz MGMOPLQBQXINMR-KRWDZBQOSA-N 1 1 319.405 3.354 20 5 DGBDMO CC[C@@]1(C)CCC[N@@H+](CC(=O)Nc2cc([N+](=O)[O-])ccc2C)C1 ZINC000464775872 434998991 /nfs/dbraw/zinc/99/89/91/434998991.db2.gz MGMOPLQBQXINMR-KRWDZBQOSA-N 1 1 319.405 3.354 20 5 DGBDMO CO[C@@]1(C)CCC[N@@H+](C/C(C)=C\c2cccc([N+](=O)[O-])c2)C1 ZINC000475278323 435188415 /nfs/dbraw/zinc/18/84/15/435188415.db2.gz IOCDLDFPKAMOGW-QXSWTLKVSA-N 1 1 304.390 3.499 20 5 DGBDMO C/C(=C/c1cccc([N+](=O)[O-])c1)C[N@H+]1CCC[C@](C)(O)CC1 ZINC000475358633 435192513 /nfs/dbraw/zinc/19/25/13/435192513.db2.gz QIXKRYLJWNJMDX-IFCKCIONSA-N 1 1 304.390 3.235 20 5 DGBDMO CCC[N@H+](CC(=O)Nc1cc([N+](=O)[O-])ccc1C)CC(C)C ZINC000532927672 435200674 /nfs/dbraw/zinc/20/06/74/435200674.db2.gz MREVRLOTMFPNGV-UHFFFAOYSA-N 1 1 307.394 3.210 20 5 DGBDMO CC[C@@H](C)[C@@H]1CCCC[N@H+]1CC(=O)Nc1ccccc1[N+](=O)[O-] ZINC000532968032 435202465 /nfs/dbraw/zinc/20/24/65/435202465.db2.gz OUNIBGHGEJCHGG-HIFRSBDPSA-N 1 1 319.405 3.434 20 5 DGBDMO O=[N+]([O-])c1ccc2c(c1)C[N@H+](CC1Cc3ccccc3C1)CCO2 ZINC000579656509 435170759 /nfs/dbraw/zinc/17/07/59/435170759.db2.gz ROGBWJDNMXAXQK-UHFFFAOYSA-N 1 1 324.380 3.204 20 5 DGBDMO Cc1cc([N+](=O)[O-])ccc1C[NH2+][C@@H](C)CN1CCCCCC1 ZINC000479605035 435342518 /nfs/dbraw/zinc/34/25/18/435342518.db2.gz VVISFUPDSWPUCP-HNNXBMFYSA-N 1 1 305.422 3.257 20 5 DGBDMO C[C@H](CCN(C)C)[NH2+][C@@H]1CCC[C@@H]1Cc1ccccc1[N+](=O)[O-] ZINC000513789839 435401012 /nfs/dbraw/zinc/40/10/12/435401012.db2.gz ODJUVBBCKAAJHC-BFYDXBDKSA-N 1 1 319.449 3.236 20 5 DGBDMO CC[N@@H+](CCOc1ccc([N+](=O)[O-])cc1)[C@H]1CCOC(C)(C)C1 ZINC000514943490 435450542 /nfs/dbraw/zinc/45/05/42/435450542.db2.gz DYMAGNASPASIRH-HNNXBMFYSA-N 1 1 322.405 3.253 20 5 DGBDMO O=[N+]([O-])c1ccc(OC(F)F)c(C[N@H+]2CC[C@@H](C3CC3)C2)c1 ZINC000537649313 435461312 /nfs/dbraw/zinc/46/13/12/435461312.db2.gz ZMBCHOLKFWMAPM-LLVKDONJSA-N 1 1 312.316 3.428 20 5 DGBDMO C[N@H+]1CCC[C@@H](C[NH2+][C@@H]2CCCCc3ccc([N+](=O)[O-])cc32)C1 ZINC000516023782 435511618 /nfs/dbraw/zinc/51/16/18/435511618.db2.gz AHCRXIFDEIKCGJ-KBXCAEBGSA-N 1 1 317.433 3.294 20 5 DGBDMO CN1CCC[C@@H](C[NH2+][C@@H]2CCCCc3ccc([N+](=O)[O-])cc32)C1 ZINC000516023782 435511621 /nfs/dbraw/zinc/51/16/21/435511621.db2.gz AHCRXIFDEIKCGJ-KBXCAEBGSA-N 1 1 317.433 3.294 20 5 DGBDMO CC(C)C[C@@H]1COCC[N@@H+]1C/C=C\c1ccccc1[N+](=O)[O-] ZINC000538731181 435518357 /nfs/dbraw/zinc/51/83/57/435518357.db2.gz KZEKRYXREOYVGS-GMNBZTITSA-N 1 1 304.390 3.355 20 5 DGBDMO CC(C)C[C@@H]1COCC[N@H+]1C/C=C\c1ccccc1[N+](=O)[O-] ZINC000538731181 435518361 /nfs/dbraw/zinc/51/83/61/435518361.db2.gz KZEKRYXREOYVGS-GMNBZTITSA-N 1 1 304.390 3.355 20 5 DGBDMO CC(C)[C@@H](C[NH2+][C@H]1CCc2c1cccc2[N+](=O)[O-])N1CCCC1 ZINC000569472905 435536712 /nfs/dbraw/zinc/53/67/12/435536712.db2.gz SRRVVYFNYIXIDC-FUHWJXTLSA-N 1 1 317.433 3.292 20 5 DGBDMO O=[N+]([O-])c1ccccc1C[N@H+](C[C@@H]1CCCC[C@@H]1O)C1CC1 ZINC000516774553 435551432 /nfs/dbraw/zinc/55/14/32/435551432.db2.gz VPGBGIGXWSXWKE-YOEHRIQHSA-N 1 1 304.390 3.110 20 5 DGBDMO Cc1ccc([N+](=O)[O-])cc1[C@@H](C)[NH2+][C@@H]1CCCc2cn[nH]c21 ZINC000540156076 435590529 /nfs/dbraw/zinc/59/05/29/435590529.db2.gz FFJMVEWPOIEHDC-IAQYHMDHSA-N 1 1 300.362 3.355 20 5 DGBDMO Cc1ccc([N+](=O)[O-])cc1[C@@H](C)[NH2+][C@@H]1CCCc2c[nH]nc21 ZINC000540156076 435590533 /nfs/dbraw/zinc/59/05/33/435590533.db2.gz FFJMVEWPOIEHDC-IAQYHMDHSA-N 1 1 300.362 3.355 20 5 DGBDMO CCC[C@@H](C)[C@@H]1CCC[N@H+]1CC(=O)Nc1ccccc1[N+](=O)[O-] ZINC000486803749 435616013 /nfs/dbraw/zinc/61/60/13/435616013.db2.gz SVSPMJSNJRJUBJ-HIFRSBDPSA-N 1 1 319.405 3.434 20 5 DGBDMO CCC1CCC([N@@H+](CCO)Cc2ccccc2[N+](=O)[O-])CC1 ZINC000488176053 435636990 /nfs/dbraw/zinc/63/69/90/435636990.db2.gz BQWPFFFQAMTFQW-UHFFFAOYSA-N 1 1 306.406 3.358 20 5 DGBDMO CCC[N@@H+](CC)C[C@@H](C)Nc1ccc([N+](=O)[O-])cc1COC ZINC000570561166 435629797 /nfs/dbraw/zinc/62/97/97/435629797.db2.gz YBWXEXBTIWQTJL-CYBMUJFWSA-N 1 1 309.410 3.274 20 5 DGBDMO C[C@@H]1CSCC[N@H+](Cc2c(Cl)cccc2[N+](=O)[O-])C1 ZINC000488257151 435637152 /nfs/dbraw/zinc/63/71/52/435637152.db2.gz WFUFNUCPUPTMIK-JTQLQIEISA-N 1 1 300.811 3.433 20 5 DGBDMO C[C@@H]1CSCC[N@@H+](Cc2c(Cl)cccc2[N+](=O)[O-])C1 ZINC000488257151 435637154 /nfs/dbraw/zinc/63/71/54/435637154.db2.gz WFUFNUCPUPTMIK-JTQLQIEISA-N 1 1 300.811 3.433 20 5 DGBDMO CC[C@@H]1C[N@@H+](C)CCN1Cc1ccc(C(C)C)c([N+](=O)[O-])c1 ZINC000552132075 435882775 /nfs/dbraw/zinc/88/27/75/435882775.db2.gz HWCFXQGUWQKQEV-OAHLLOKOSA-N 1 1 305.422 3.244 20 5 DGBDMO CCC(=O)c1ccc(N[C@H]2CC[N@H+]3CCC[C@H]3C2)c([N+](=O)[O-])c1 ZINC000377086710 313014647 /nfs/dbraw/zinc/01/46/47/313014647.db2.gz OUSYNRAZYKQPRB-KBPBESRZSA-N 1 1 317.389 3.226 20 5 DGBDMO C[N@@H+](CCn1ccc([N+](=O)[O-])n1)Cc1ccc(C(C)(C)C)cc1 ZINC000530665518 313393888 /nfs/dbraw/zinc/39/38/88/313393888.db2.gz QBEABLLRLNZSLJ-UHFFFAOYSA-N 1 1 316.405 3.221 20 5 DGBDMO CCOc1cc(N2CCC[N@H+](C(C)(C)C)CC2)ccc1[N+](=O)[O-] ZINC000530669635 313394451 /nfs/dbraw/zinc/39/44/51/313394451.db2.gz PEGLQTKWNIJDQJ-UHFFFAOYSA-N 1 1 321.421 3.304 20 5 DGBDMO COc1ccncc1C[NH2+][C@H](C)c1cc([N+](=O)[O-])ccc1C ZINC000551228307 314554379 /nfs/dbraw/zinc/55/43/79/314554379.db2.gz FESDGZYVWDEVQG-GFCCVEGCSA-N 1 1 301.346 3.158 20 5 DGBDMO CC[C@@H](C(=O)OC(C)(C)C)[N@H+](C)CCc1cccc([N+](=O)[O-])c1 ZINC000564473232 315178804 /nfs/dbraw/zinc/17/88/04/315178804.db2.gz PDAMCKMVWPXYDM-HNNXBMFYSA-N 1 1 322.405 3.189 20 5 DGBDMO CC[C@@H](C(=O)OC(C)(C)C)[N@@H+](C)CCc1cccc([N+](=O)[O-])c1 ZINC000564473232 315178805 /nfs/dbraw/zinc/17/88/05/315178805.db2.gz PDAMCKMVWPXYDM-HNNXBMFYSA-N 1 1 322.405 3.189 20 5 DGBDMO C/C(=C/c1cccc([N+](=O)[O-])c1)CN(C)CC[N@@H+](C)C1CC1 ZINC000567148379 315399910 /nfs/dbraw/zinc/39/99/10/315399910.db2.gz OIYXQTLGMMNCEH-KAMYIIQDSA-N 1 1 303.406 3.024 20 5 DGBDMO C/C(=C/c1cccc([N+](=O)[O-])c1)C[N@H+](C)CCN(C)C1CC1 ZINC000567148379 315399917 /nfs/dbraw/zinc/39/99/17/315399917.db2.gz OIYXQTLGMMNCEH-KAMYIIQDSA-N 1 1 303.406 3.024 20 5 DGBDMO O=[N+]([O-])c1ccc2[nH]c(C[N@@H+](C3CC3)C3CCCC3)nc2c1 ZINC000574896383 316013110 /nfs/dbraw/zinc/01/31/10/316013110.db2.gz QOWMEBUMMCJXRP-UHFFFAOYSA-N 1 1 300.362 3.378 20 5 DGBDMO CCO[C@@H]1C[C@@H]1[NH2+][C@H](c1ccccc1)c1cccc([N+](=O)[O-])c1 ZINC000577575872 316249050 /nfs/dbraw/zinc/24/90/50/316249050.db2.gz UDKAZSPKDRFRCN-RCCFBDPRSA-N 1 1 312.369 3.451 20 5 DGBDMO Cc1ccc(C[N@@H+](CCO)Cc2ccc(C)c([N+](=O)[O-])c2)cc1 ZINC000180846317 323240009 /nfs/dbraw/zinc/24/00/09/323240009.db2.gz SQHHHSFVXRBMQR-UHFFFAOYSA-N 1 1 314.385 3.206 20 5 DGBDMO CCC[C@@H]1CCCC[N@H+]1CC(=O)Nc1ccccc1[N+](=O)[O-] ZINC000185858586 323396735 /nfs/dbraw/zinc/39/67/35/323396735.db2.gz LQEBGMUMULEJTN-CYBMUJFWSA-N 1 1 305.378 3.188 20 5 DGBDMO CCCC[N@@H+](C)C[C@H](C)N[C@@H]1CCc2c1cccc2[N+](=O)[O-] ZINC000580569879 324013999 /nfs/dbraw/zinc/01/39/99/324013999.db2.gz ILNHPVXAFCURRB-XJKSGUPXSA-N 1 1 305.422 3.292 20 5 DGBDMO CCCCN(C)C[C@H](C)[NH2+][C@@H]1CCc2c1cccc2[N+](=O)[O-] ZINC000580569879 324014002 /nfs/dbraw/zinc/01/40/02/324014002.db2.gz ILNHPVXAFCURRB-XJKSGUPXSA-N 1 1 305.422 3.292 20 5 DGBDMO CSC[C@@H]1CCC[N@@H+](Cc2nc3cc([N+](=O)[O-])ccc3o2)C1 ZINC000292557968 533736961 /nfs/dbraw/zinc/73/69/61/533736961.db2.gz ZBUNWHOWLAGVFS-LLVKDONJSA-N 1 1 321.402 3.311 20 5 DGBDMO C[C@H]1CC[C@H]([N@@H+](CCO)Cc2ccc(Cl)cc2[N+](=O)[O-])C1 ZINC000330812047 533752349 /nfs/dbraw/zinc/75/23/49/533752349.db2.gz AZHHIKYZQXLIKX-FZMZJTMJSA-N 1 1 312.797 3.231 20 5 DGBDMO Cc1ccc(C[N@H+]2CCC[C@H](OCC3CC3)C2)cc1[N+](=O)[O-] ZINC000428389842 533930847 /nfs/dbraw/zinc/93/08/47/533930847.db2.gz AEZLJSZMRODXPC-INIZCTEOSA-N 1 1 304.390 3.294 20 5 DGBDMO C[C@H](Nc1ncc([N+](=O)[O-])cc1F)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC000413244935 534031465 /nfs/dbraw/zinc/03/14/65/534031465.db2.gz NQNHMYDMROGJNZ-NWDGAFQWSA-N 1 1 322.384 3.194 20 5 DGBDMO COC[C@@H]1CC[N@@H+](Cc2cc(=O)oc3ccc4ccccc4c23)C1 ZINC000265782842 522473353 /nfs/dbraw/zinc/47/33/53/522473353.db2.gz KVFPDWWCEOVEFB-CQSZACIVSA-N 1 1 323.392 3.415 20 5 DGBDMO O=[N+]([O-])c1cccc(OCC[N@@H+]2CCOC3(CCCCC3)C2)c1 ZINC000441461348 534886083 /nfs/dbraw/zinc/88/60/83/534886083.db2.gz AUUCQHGCGWZZFG-UHFFFAOYSA-N 1 1 320.389 3.009 20 5 DGBDMO O=[N+]([O-])c1cccc(OCC[N@H+]2CCOC3(CCCCC3)C2)c1 ZINC000441461348 534886087 /nfs/dbraw/zinc/88/60/87/534886087.db2.gz AUUCQHGCGWZZFG-UHFFFAOYSA-N 1 1 320.389 3.009 20 5 DGBDMO O=[N+]([O-])c1ccccc1C[NH2+][C@@H]1CCN[C@H](c2ccccc2)C1 ZINC000415091709 534886950 /nfs/dbraw/zinc/88/69/50/534886950.db2.gz ZQEGZPKRYCBUFG-SJORKVTESA-N 1 1 311.385 3.178 20 5 DGBDMO CCN(C/C=C\c1ccccc1[N+](=O)[O-])[C@@H]1CCC[NH2+]CC1 ZINC000435389975 527871901 /nfs/dbraw/zinc/87/19/01/527871901.db2.gz NRBZIAXWYXSQLY-QKIRZYONSA-N 1 1 303.406 3.072 20 5 DGBDMO CCC[C@H]([NH2+]Cc1ccn(CC)n1)c1cccc([N+](=O)[O-])c1 ZINC000414207558 528229036 /nfs/dbraw/zinc/22/90/36/528229036.db2.gz KINPKVSQFANQAI-INIZCTEOSA-N 1 1 302.378 3.442 20 5 DGBDMO CCC[C@]1(CO)CCC[N@H+]1Cc1ccc([N+](=O)[O-])c(OCC)c1 ZINC000444768972 528515248 /nfs/dbraw/zinc/51/52/48/528515248.db2.gz GWKLESGLVWVECI-QGZVFWFLSA-N 1 1 322.405 3.121 20 5 DGBDMO CCOc1cccc(NC[C@H]2CCCC[N@H+]2CC)c1[N+](=O)[O-] ZINC000302134852 528673538 /nfs/dbraw/zinc/67/35/38/528673538.db2.gz ZMWWPGHUKUFJST-CYBMUJFWSA-N 1 1 307.394 3.280 20 5 DGBDMO CC(C)[N@H+](Cc1c([N+](=O)[O-])ncn1C)[C@H](C)c1ccccc1 ZINC000428875709 528936825 /nfs/dbraw/zinc/93/68/25/528936825.db2.gz WJQARWQVYBBZTQ-CYBMUJFWSA-N 1 1 302.378 3.300 20 5 DGBDMO CC(C)[N@@H+](Cc1c([N+](=O)[O-])ncn1C)[C@H](C)c1ccccc1 ZINC000428875709 528936828 /nfs/dbraw/zinc/93/68/28/528936828.db2.gz WJQARWQVYBBZTQ-CYBMUJFWSA-N 1 1 302.378 3.300 20 5 DGBDMO CC1(C)C[C@@H](O)CC[N@@H+](Cc2ccc([N+](=O)[O-])cc2Cl)C1 ZINC000294697247 529141909 /nfs/dbraw/zinc/14/19/09/529141909.db2.gz AOEUGQMXCCBYEB-ZDUSSCGKSA-N 1 1 312.797 3.231 20 5 DGBDMO CCC[N@@H+]1CC[C@@H](CNC/C(C)=C\c2cccc([N+](=O)[O-])c2)C1 ZINC000468627734 534945701 /nfs/dbraw/zinc/94/57/01/534945701.db2.gz ODYUWUDGEZMBSS-MJSCBBHESA-N 1 1 317.433 3.320 20 5 DGBDMO CCC[N@H+]1CC[C@@H](CNC/C(C)=C\c2cccc([N+](=O)[O-])c2)C1 ZINC000468627734 534945706 /nfs/dbraw/zinc/94/57/06/534945706.db2.gz ODYUWUDGEZMBSS-MJSCBBHESA-N 1 1 317.433 3.320 20 5 DGBDMO CC[N@H+](C/C(C)=C/c1cccc([N+](=O)[O-])c1)C[C@H]1CCCO1 ZINC000470174692 535765315 /nfs/dbraw/zinc/76/53/15/535765315.db2.gz MRXWRHQUXQVIFQ-IDKBZEPQSA-N 1 1 304.390 3.499 20 5 DGBDMO CC[N@H+](C/C(C)=C/c1cccc([N+](=O)[O-])c1)C[C@@H]1CCCO1 ZINC000470174695 535765652 /nfs/dbraw/zinc/76/56/52/535765652.db2.gz MRXWRHQUXQVIFQ-SHRNQRGKSA-N 1 1 304.390 3.499 20 5 DGBDMO CO[C@@H]1CC[N@@H+](C/C(C)=C\c2cccc([N+](=O)[O-])c2)C[C@@H]1C ZINC000449497923 536678234 /nfs/dbraw/zinc/67/82/34/536678234.db2.gz KSJKYYZSRNAVJJ-XKHVPYPXSA-N 1 1 304.390 3.355 20 5 DGBDMO COCC1=CC[N@@H+](C/C(C)=C\c2cccc([N+](=O)[O-])c2)CC1 ZINC000470212277 536831911 /nfs/dbraw/zinc/83/19/11/536831911.db2.gz SHXNOBRPJAEXLC-UVTDQMKNSA-N 1 1 302.374 3.277 20 5 DGBDMO COC(=O)c1oc(C[NH2+][C@@H](C)c2ccc([N+](=O)[O-])cc2)cc1C ZINC000451103618 536869307 /nfs/dbraw/zinc/86/93/07/536869307.db2.gz IKBNCPNTGZMJIY-NSHDSACASA-N 1 1 318.329 3.134 20 5 DGBDMO CC(C)[N@@H+](Cn1cc(-c2ccc([N+](=O)[O-])cc2)cn1)C1CC1 ZINC000728897238 575192581 /nfs/dbraw/zinc/19/25/81/575192581.db2.gz MJSPFDNQLCCVCC-UHFFFAOYSA-N 1 1 300.362 3.289 20 5 DGBDMO O=[N+]([O-])c1cc(C[NH2+][C@H](CO)c2ccc(F)cc2)ccc1Cl ZINC000734851318 574679084 /nfs/dbraw/zinc/67/90/84/574679084.db2.gz ZBUZYIMICHPZMT-CQSZACIVSA-N 1 1 324.739 3.211 20 5 DGBDMO CC[C@@H]1CCC[N@H+]1Cn1cc(-c2ccc([N+](=O)[O-])cc2)cn1 ZINC000728900282 575192868 /nfs/dbraw/zinc/19/28/68/575192868.db2.gz ITZUVYCBGKPTKU-OAHLLOKOSA-N 1 1 300.362 3.290 20 5 DGBDMO C[C@@H]1CCC[C@@H](C)[N@@H+](Cn2ncc3ccc([N+](=O)[O-])cc32)C1 ZINC000742155433 574982717 /nfs/dbraw/zinc/98/27/17/574982717.db2.gz RMVKDBUAEXEADD-CHWSQXEVSA-N 1 1 302.378 3.413 20 5 DGBDMO COc1c(C)cnc(C[NH2+]Cc2ccc(C)c([N+](=O)[O-])c2)c1C ZINC000748820225 575609550 /nfs/dbraw/zinc/60/95/50/575609550.db2.gz HRIMXNCEKHDHJW-UHFFFAOYSA-N 1 1 315.373 3.213 20 5 DGBDMO CCC(CC)[N@@H+](Cn1nc(C)c2cc([N+](=O)[O-])cnc21)C1CC1 ZINC000749939901 575690844 /nfs/dbraw/zinc/69/08/44/575690844.db2.gz VPTCJTADXWBKDK-UHFFFAOYSA-N 1 1 317.393 3.258 20 5 DGBDMO O=[N+]([O-])c1cccc([C@H](O)C[N@@H+]2CC[C@@H]2c2cccc(F)c2)c1 ZINC000750072778 575702281 /nfs/dbraw/zinc/70/22/81/575702281.db2.gz QYMSIMSAFFKGNB-IAGOWNOFSA-N 1 1 316.332 3.214 20 5 DGBDMO O=[N+]([O-])c1cccc([C@H](O)C[N@H+]2CC[C@@H]2c2cccc(F)c2)c1 ZINC000750072778 575702284 /nfs/dbraw/zinc/70/22/84/575702284.db2.gz QYMSIMSAFFKGNB-IAGOWNOFSA-N 1 1 316.332 3.214 20 5 DGBDMO CC[C@H]1CCC[N@@H+](Cn2ncc3ccc([N+](=O)[O-])cc32)CC1 ZINC000738253967 576015881 /nfs/dbraw/zinc/01/58/81/576015881.db2.gz JVAXSQFYHMSTQV-ZDUSSCGKSA-N 1 1 302.378 3.414 20 5 DGBDMO CC[C@@H]1CCC[N@H+]1CC(=O)Nc1ccc(Cl)c([N+](=O)[O-])c1 ZINC000727833644 576148348 /nfs/dbraw/zinc/14/83/48/576148348.db2.gz XFZMFTGZIYPTFB-LLVKDONJSA-N 1 1 311.769 3.061 20 5 DGBDMO O=[N+]([O-])c1cccc([C@H](O)C[N@H+]2CCC3(C2)CCCCC3)c1 ZINC000154367565 620665928 /nfs/dbraw/zinc/66/59/28/620665928.db2.gz SSJXFLXQJPBFMG-MRXNPFEDSA-N 1 1 304.390 3.284 20 5 DGBDMO CCCC[N@@H+](Cn1cc([N+](=O)[O-])c(-c2ccccn2)n1)C1CC1 ZINC000853489174 620700922 /nfs/dbraw/zinc/70/09/22/620700922.db2.gz IFKOYQZTAGRSMA-UHFFFAOYSA-N 1 1 315.377 3.075 20 5 DGBDMO CC1C[C@H]2CC[C@@H](C1)[N@@H+]2Cn1ncc2cc([N+](=O)[O-])ccc21 ZINC000853606681 620716041 /nfs/dbraw/zinc/71/60/41/620716041.db2.gz VHSXNGMRHRSARU-QXMXGUDHSA-N 1 1 300.362 3.165 20 5 DGBDMO CC(C)(C)[N@H+]1CC[C@@H](CNc2c([N+](=O)[O-])cccc2[N+](=O)[O-])C1 ZINC000853746273 620732615 /nfs/dbraw/zinc/73/26/15/620732615.db2.gz HOXZGLKDJMYKJP-NSHDSACASA-N 1 1 322.365 3.035 20 5 DGBDMO Cc1[nH+]ccn1CCNc1cccc(C(F)(F)F)c1[N+](=O)[O-] ZINC000895118341 618542293 /nfs/dbraw/zinc/54/22/93/618542293.db2.gz ZLXQMDDODLOMPM-UHFFFAOYSA-N 1 1 314.267 3.231 20 5 DGBDMO Cc1nc(C[NH3+])ccc1[C@@H](C)N[C@H](C)c1ccc([N+](=O)[O-])cc1 ZINC000925827434 618639023 /nfs/dbraw/zinc/63/90/23/618639023.db2.gz RZQKSOBATLPKFA-VXGBXAGGSA-N 1 1 314.389 3.169 20 5 DGBDMO O=[N+]([O-])c1ccccc1/C=C\C[N@H+]1CC[C@H]([C@H]2CCCO2)C1 ZINC000895846940 618841047 /nfs/dbraw/zinc/84/10/47/618841047.db2.gz SCSOZBHIXAKMMZ-ZFZABWBQSA-N 1 1 302.374 3.109 20 5 DGBDMO CCc1onc(C)c1C[NH2+]Cc1ccc([N+](=O)[O-])c(Cl)c1 ZINC000897336536 619062578 /nfs/dbraw/zinc/06/25/78/619062578.db2.gz HSZPYPJTSAMUBT-UHFFFAOYSA-N 1 1 309.753 3.397 20 5 DGBDMO O=[N+]([O-])c1ccc(Cl)c(C[NH2+]Cc2ccc(CCO)cc2)c1 ZINC000898172457 619220524 /nfs/dbraw/zinc/22/05/24/619220524.db2.gz JOASUFSJIFRPRM-UHFFFAOYSA-N 1 1 320.776 3.073 20 5 DGBDMO CNc1ccc(C)cc1C[NH2+]Cc1cc([N+](=O)[O-])ccc1OC ZINC000902197156 619601406 /nfs/dbraw/zinc/60/14/06/619601406.db2.gz YDWOLEWIFWQBIW-UHFFFAOYSA-N 1 1 315.373 3.243 20 5 DGBDMO COc1cc([C@H](C)[NH2+][C@@H](C)c2ccccn2)cc([N+](=O)[O-])c1 ZINC000903055454 619707089 /nfs/dbraw/zinc/70/70/89/619707089.db2.gz GMJOYEPSFHWPLN-RYUDHWBXSA-N 1 1 301.346 3.410 20 5 DGBDMO Cc1ccc([C@@H](C)[NH2+][C@H](c2nncn2C)C(C)C)cc1[N+](=O)[O-] ZINC000903060986 619708072 /nfs/dbraw/zinc/70/80/72/619708072.db2.gz JCKPVWZWOBBNPC-DOMZBBRYSA-N 1 1 317.393 3.080 20 5 DGBDMO COc1cc([C@H](C)[NH2+]Cc2cccc(C)n2)cc([N+](=O)[O-])c1 ZINC000903075400 619711883 /nfs/dbraw/zinc/71/18/83/619711883.db2.gz VHOLTNNDJRNYGC-LBPRGKRZSA-N 1 1 301.346 3.158 20 5 DGBDMO COc1cc([C@@H](C)[NH2+][C@H]2CCCc3cn[nH]c32)cc([N+](=O)[O-])c1 ZINC000903123486 619721644 /nfs/dbraw/zinc/72/16/44/619721644.db2.gz AJLHZJOATKPQPR-BMIGLBTASA-N 1 1 316.361 3.055 20 5 DGBDMO COc1cc([C@@H](C)[NH2+][C@H]2CCCc3c[nH]nc32)cc([N+](=O)[O-])c1 ZINC000903123486 619721645 /nfs/dbraw/zinc/72/16/45/619721645.db2.gz AJLHZJOATKPQPR-BMIGLBTASA-N 1 1 316.361 3.055 20 5 DGBDMO COc1cc([C@H](C)[NH2+][C@@H](C)c2ccns2)cc([N+](=O)[O-])c1 ZINC000903209488 619738801 /nfs/dbraw/zinc/73/88/01/619738801.db2.gz LRYFGKWNTPZJKV-UWVGGRQHSA-N 1 1 307.375 3.472 20 5 DGBDMO C[C@@H](NC1C[C@H]2CC[C@@H](C1)[N@@H+]2C1CC1)c1ccc([N+](=O)[O-])cc1 ZINC000903223681 619741658 /nfs/dbraw/zinc/74/16/58/619741658.db2.gz IXXBMNVLDNUTTR-NJBQOQPGSA-N 1 1 315.417 3.403 20 5 DGBDMO C[C@H](C[NH2+][C@@H]1CCN(C)[C@@H]2CCC[C@@H]21)c1ccccc1[N+](=O)[O-] ZINC000903244874 619743509 /nfs/dbraw/zinc/74/35/09/619743509.db2.gz FWBAFUCHHCXDFS-MWQQHZPXSA-N 1 1 317.433 3.161 20 5 DGBDMO COc1cc([C@@H](C)[NH2+][C@H](C)c2cncs2)cc([N+](=O)[O-])c1 ZINC000903305741 619756549 /nfs/dbraw/zinc/75/65/49/619756549.db2.gz OXLISYZQVQLJLZ-NXEZZACHSA-N 1 1 307.375 3.472 20 5 DGBDMO C[C@@H]([NH2+]Cc1ccc(CCO)cc1)c1c(F)cccc1[N+](=O)[O-] ZINC000903402871 619773671 /nfs/dbraw/zinc/77/36/71/619773671.db2.gz HGOMVRRUSZAINY-GFCCVEGCSA-N 1 1 318.348 3.120 20 5 DGBDMO C[C@@H](c1ccccc1)[C@@H]1CCC[N@H+]1Cn1cc([N+](=O)[O-])cn1 ZINC000905738618 620024340 /nfs/dbraw/zinc/02/43/40/620024340.db2.gz DYVANZVYJCKSAA-BBRMVZONSA-N 1 1 300.362 3.017 20 5 DGBDMO C[C@@H](c1ccccc1)[C@@H]1CCC[N@H+]1Cn1nccc1[N+](=O)[O-] ZINC000905740601 620025140 /nfs/dbraw/zinc/02/51/40/620025140.db2.gz LAMQMCPHEFCORL-ZFWWWQNUSA-N 1 1 300.362 3.017 20 5 DGBDMO CC(C)[N@@H+]1CCC[C@@H]1C(=O)O[C@@H](C)c1ccccc1[N+](=O)[O-] ZINC000906118294 620059577 /nfs/dbraw/zinc/05/95/77/620059577.db2.gz FOFSQZPQDVVLIW-SWLSCSKDSA-N 1 1 306.362 3.072 20 5 DGBDMO CC(C)[N@H+]1CCC[C@@H]1C(=O)O[C@@H](C)c1ccccc1[N+](=O)[O-] ZINC000906118294 620059579 /nfs/dbraw/zinc/05/95/79/620059579.db2.gz FOFSQZPQDVVLIW-SWLSCSKDSA-N 1 1 306.362 3.072 20 5 DGBDMO Cc1ccc(C[NH2+]Cc2nccc3c2CCCC3)cc1[N+](=O)[O-] ZINC000922316030 621022928 /nfs/dbraw/zinc/02/29/28/621022928.db2.gz HASZJAKIKKQUDY-UHFFFAOYSA-N 1 1 311.385 3.467 20 5 DGBDMO CC(=O)c1cc([N+](=O)[O-])ccc1NC[C@H]1CC[N@H+]1C1CCCC1 ZINC000858780511 621220986 /nfs/dbraw/zinc/22/09/86/621220986.db2.gz CNJWUTDTFBSGRH-OAHLLOKOSA-N 1 1 317.389 3.226 20 5 DGBDMO O=C(O[C@@H]1CC[N@H+]2CCC[C@H]2C1)c1ccc(Cl)cc1[N+](=O)[O-] ZINC000788114729 621275730 /nfs/dbraw/zinc/27/57/30/621275730.db2.gz IEJXKGCYPVWFBM-NWDGAFQWSA-N 1 1 324.764 3.032 20 5 DGBDMO C[C@@H]1C[NH+](Cc2ccc([N+](=O)[O-])c(F)c2)C[C@@H](C)C1(F)F ZINC000859415507 621276115 /nfs/dbraw/zinc/27/61/15/621276115.db2.gz QZQXFEVAAMZGNQ-NXEZZACHSA-N 1 1 302.296 3.457 20 5 DGBDMO CCOC(=O)CC(C)(C)C[N@@H+](C)Cc1ccccc1[N+](=O)[O-] ZINC000838792144 621281612 /nfs/dbraw/zinc/28/16/12/621281612.db2.gz CELSVRPSNUMZKP-UHFFFAOYSA-N 1 1 308.378 3.006 20 5 DGBDMO O=[N+]([O-])c1ccc(C[N@@H+]2CCC[C@](O)(c3ccccc3)C2)cc1 ZINC000859585308 621295215 /nfs/dbraw/zinc/29/52/15/621295215.db2.gz NCSBCGGYFWNEDF-GOSISDBHSA-N 1 1 312.369 3.078 20 5 DGBDMO NC(CCC(F)(F)F)=[NH+]OCc1ccc([N+](=O)[O-])c(F)c1 ZINC000863490662 621678011 /nfs/dbraw/zinc/67/80/11/621678011.db2.gz PPWFZEXJQUEPQE-UHFFFAOYSA-N 1 1 309.219 3.075 20 5 DGBDMO O=[N+]([O-])c1cccc2c1CC[N@H+](C[C@H]1CC1(Cl)Cl)C2 ZINC000757167118 621691591 /nfs/dbraw/zinc/69/15/91/621691591.db2.gz ACFUJNWWCDJWSS-SNVBAGLBSA-N 1 1 301.173 3.147 20 5 DGBDMO O=[N+]([O-])c1cccc2c1CC[N@@H+](C[C@H]1CC1(Cl)Cl)C2 ZINC000757167118 621691593 /nfs/dbraw/zinc/69/15/93/621691593.db2.gz ACFUJNWWCDJWSS-SNVBAGLBSA-N 1 1 301.173 3.147 20 5 DGBDMO C[C@@H]1CC(C)(C)C[N@H+]1CCC(=O)Nc1cc([N+](=O)[O-])ccc1F ZINC000839658697 621704865 /nfs/dbraw/zinc/70/48/65/621704865.db2.gz RDLMPYCALSNHCC-LLVKDONJSA-N 1 1 323.368 3.183 20 5 DGBDMO C[C@H]1CC[N@@H+](Cn2ncc3ccc([N+](=O)[O-])cc32)CC1(C)C ZINC000759000722 621817478 /nfs/dbraw/zinc/81/74/78/621817478.db2.gz ROXZEEDBQJWGFA-LBPRGKRZSA-N 1 1 302.378 3.270 20 5 DGBDMO O=[N+]([O-])c1ccc(N[C@H]2CCc3[nH+]c[nH]c3C2)c(C(F)F)c1 ZINC000865817897 622000436 /nfs/dbraw/zinc/00/04/36/622000436.db2.gz IIWGCYDRLXPLFR-QMMMGPOBSA-N 1 1 308.288 3.225 20 5 DGBDMO O=[N+]([O-])c1ccc(N[C@H]2CCc3[nH]c[nH+]c3C2)c(C(F)F)c1 ZINC000865817897 622000440 /nfs/dbraw/zinc/00/04/40/622000440.db2.gz IIWGCYDRLXPLFR-QMMMGPOBSA-N 1 1 308.288 3.225 20 5 DGBDMO C[N@H+]1CC[C@]2(CCN(c3ccc([N+](=O)[O-])cc3C(F)F)C2)C1 ZINC000865827241 622002296 /nfs/dbraw/zinc/00/22/96/622002296.db2.gz FXGOULAGYBFTNG-HNNXBMFYSA-N 1 1 311.332 3.064 20 5 DGBDMO CO[C@@H]1CC[C@H](C)N(c2cc[nH+]c3ccc([N+](=O)[O-])cc32)C1 ZINC000866073611 622041878 /nfs/dbraw/zinc/04/18/78/622041878.db2.gz QPORGWSLXRKJQN-WCQYABFASA-N 1 1 301.346 3.147 20 5 DGBDMO C[N@H+]1CCN(c2ccc([N+](=O)[O-])cc2C(F)F)CCC1(C)C ZINC000866110271 622047708 /nfs/dbraw/zinc/04/77/08/622047708.db2.gz UJGHHRHFEUVNQB-UHFFFAOYSA-N 1 1 313.348 3.453 20 5 DGBDMO C[N@H+]1CC[C@H]2CN(c3ccc([N+](=O)[O-])cc3C(F)F)CC[C@@H]21 ZINC000866209816 622066670 /nfs/dbraw/zinc/06/66/70/622066670.db2.gz VVBZOYWYIKJWBY-GWCFXTLKSA-N 1 1 311.332 3.063 20 5 DGBDMO CC[C@]1(C)CC[N@@H+](Cn2nc(C)c3cc([N+](=O)[O-])ccc32)C1 ZINC000765076473 622244341 /nfs/dbraw/zinc/24/43/41/622244341.db2.gz YTTDGYYJTDSFEV-MRXNPFEDSA-N 1 1 302.378 3.332 20 5 DGBDMO Cc1cc(C)c(COC(=O)Cc2cccc([N+](=O)[O-])c2)c(C)[nH+]1 ZINC000869416295 622354069 /nfs/dbraw/zinc/35/40/69/622354069.db2.gz UJXNMMUAFONYNV-UHFFFAOYSA-N 1 1 314.341 3.201 20 5 DGBDMO Cc1cc(C)c(COC(=O)c2c(F)cccc2[N+](=O)[O-])c(C)[nH+]1 ZINC000869898539 622415630 /nfs/dbraw/zinc/41/56/30/622415630.db2.gz LTABXDSPCMKZCL-UHFFFAOYSA-N 1 1 318.304 3.411 20 5 DGBDMO CCOc1ccc([C@@H](C)[NH2+]Cc2cc(CC)n[nH]2)cc1[N+](=O)[O-] ZINC000768106769 622438781 /nfs/dbraw/zinc/43/87/81/622438781.db2.gz VPXFIZRWWBSFDC-LLVKDONJSA-N 1 1 318.377 3.130 20 5 DGBDMO C[C@H]1C[N@@H+](Cc2c(Br)cccc2[N+](=O)[O-])C[C@H]1C ZINC000769448435 622528874 /nfs/dbraw/zinc/52/88/74/622528874.db2.gz QJULEDNGKDOBHJ-AOOOYVTPSA-N 1 1 313.195 3.445 20 5 DGBDMO C[C@H]([NH2+]Cc1ccc2c(c1)OCO2)c1c(F)cccc1[N+](=O)[O-] ZINC000872016886 622753517 /nfs/dbraw/zinc/75/35/17/622753517.db2.gz PVWDZCBECRXYQZ-JTQLQIEISA-N 1 1 318.304 3.313 20 5 DGBDMO CSc1ccc([N+](=O)[O-])cc1[C@H](C)NC[C@H]1CCC[N@@H+]1C ZINC000872028734 622761141 /nfs/dbraw/zinc/76/11/41/622761141.db2.gz SNEVAKBSZZPWRK-WCQYABFASA-N 1 1 309.435 3.062 20 5 DGBDMO CSc1ccc([N+](=O)[O-])cc1[C@H](C)NC[C@H]1CCC[N@H+]1C ZINC000872028734 622761149 /nfs/dbraw/zinc/76/11/49/622761149.db2.gz SNEVAKBSZZPWRK-WCQYABFASA-N 1 1 309.435 3.062 20 5 DGBDMO C[C@H]([NH2+]CCC(=O)OC(C)(C)C)c1c(F)cccc1[N+](=O)[O-] ZINC000872040042 622768933 /nfs/dbraw/zinc/76/89/33/622768933.db2.gz WHUJYHNOUZJEIO-JTQLQIEISA-N 1 1 312.341 3.116 20 5 DGBDMO C[C@@H](NC[C@H]1CC[N@H+]1C1CCCC1)c1c(F)cccc1[N+](=O)[O-] ZINC000872089793 622799955 /nfs/dbraw/zinc/79/99/55/622799955.db2.gz FGSIXEFTDRVYQL-TZMCWYRMSA-N 1 1 321.396 3.401 20 5 DGBDMO C[C@@H]([NH2+]C[C@H]1CCN1C1CCCC1)c1c(F)cccc1[N+](=O)[O-] ZINC000872089793 622799959 /nfs/dbraw/zinc/79/99/59/622799959.db2.gz FGSIXEFTDRVYQL-TZMCWYRMSA-N 1 1 321.396 3.401 20 5 DGBDMO O=[N+]([O-])c1cccc([C@@H](O)C[NH2+][C@H](CF)c2ccc(F)cc2)c1 ZINC000872236690 622864470 /nfs/dbraw/zinc/86/44/70/622864470.db2.gz SZNTXDMSJQGYNL-CVEARBPZSA-N 1 1 322.311 3.068 20 5 DGBDMO C[N@@H+](Cc1ccc(Cl)c([N+](=O)[O-])c1)[C@@H](CO)c1ccccc1 ZINC000772739904 622934699 /nfs/dbraw/zinc/93/46/99/622934699.db2.gz FSBWFTATIYYYGF-INIZCTEOSA-N 1 1 320.776 3.414 20 5 DGBDMO Cc1ccc([N+](=O)[O-])c(C)c1C[NH2+]Cc1ccn(C(C)C)n1 ZINC000873057562 623027050 /nfs/dbraw/zinc/02/70/50/623027050.db2.gz UQTAUAFKHBDBRE-UHFFFAOYSA-N 1 1 302.378 3.279 20 5 DGBDMO CCn1ccnc1[C@@H](C)[NH2+]Cc1c(C)ccc([N+](=O)[O-])c1C ZINC000873130044 623043265 /nfs/dbraw/zinc/04/32/65/623043265.db2.gz WRUDMVUMJDVOGV-CYBMUJFWSA-N 1 1 302.378 3.279 20 5 DGBDMO Cc1ccc(CN[C@@H]2CCC[C@@H]2[C@H]2CCCC[NH2+]2)cc1[N+](=O)[O-] ZINC000873249913 623091296 /nfs/dbraw/zinc/09/12/96/623091296.db2.gz DFBLJHWBJURRPY-BRWVUGGUSA-N 1 1 317.433 3.304 20 5 DGBDMO Cc1ccc(CN[C@@H]2CCC[C@H]2[C@H]2CCCC[NH2+]2)cc1[N+](=O)[O-] ZINC000873249915 623091447 /nfs/dbraw/zinc/09/14/47/623091447.db2.gz DFBLJHWBJURRPY-GVDBMIGSSA-N 1 1 317.433 3.304 20 5 DGBDMO Cc1[nH+]ccn1-c1ncccc1CNc1ccccc1[N+](=O)[O-] ZINC000774537778 623158188 /nfs/dbraw/zinc/15/81/88/623158188.db2.gz WYPOLWJONGWDQE-UHFFFAOYSA-N 1 1 309.329 3.096 20 5 DGBDMO C[C@@H]1CC[N@@H+](Cn2ncc3cc([N+](=O)[O-])cc(Cl)c32)[C@H]1C ZINC000774637192 623168848 /nfs/dbraw/zinc/16/88/48/623168848.db2.gz MVOLMZUNUFYBLS-ZJUUUORDSA-N 1 1 308.769 3.286 20 5 DGBDMO C[C@@H]1c2ccsc2CC[N@@H+]1C[C@H](O)c1ccc([N+](=O)[O-])cc1 ZINC000776275168 623405212 /nfs/dbraw/zinc/40/52/12/623405212.db2.gz JMHVKWAELABVMX-ABAIWWIYSA-N 1 1 318.398 3.309 20 5 DGBDMO C[C@@H](c1cccs1)[N@@H+](C)C[C@@H](O)c1ccc([N+](=O)[O-])cc1 ZINC000776278587 623405715 /nfs/dbraw/zinc/40/57/15/623405715.db2.gz RJVVBXXCZBVMAI-SMDDNHRTSA-N 1 1 306.387 3.383 20 5 DGBDMO O=[N+]([O-])c1ccc([C@@H](O)C[N@H+]2CCCC23CCCCC3)cc1 ZINC000776594122 623445413 /nfs/dbraw/zinc/44/54/13/623445413.db2.gz VWILAPNGSZXLPA-INIZCTEOSA-N 1 1 304.390 3.427 20 5 DGBDMO C[C@@H]1CC[N@@H+](Cn2cc(-c3cccc([N+](=O)[O-])c3)cn2)[C@@H]1C ZINC000777963388 623591743 /nfs/dbraw/zinc/59/17/43/623591743.db2.gz KSPLVZXZYBQQEW-CHWSQXEVSA-N 1 1 300.362 3.146 20 5 DGBDMO C[N@H+](Cc1cc(Cl)ccc1[N+](=O)[O-])C[C@H]1CCCC[C@@H]1O ZINC000778245426 623631564 /nfs/dbraw/zinc/63/15/64/623631564.db2.gz LPEHYJWEUXMUHO-ABAIWWIYSA-N 1 1 312.797 3.231 20 5 DGBDMO CCc1ccc(OC(=O)[C@H](CC)[NH+](CC)CC)c([N+](=O)[O-])c1 ZINC000778647661 623679860 /nfs/dbraw/zinc/67/98/60/623679860.db2.gz WKUZTMGLGWVNPH-ZDUSSCGKSA-N 1 1 308.378 3.183 20 5 DGBDMO Cc1[nH+]ccn1CCCCOC(=O)c1cc(C)cc([N+](=O)[O-])c1 ZINC000778788764 623695334 /nfs/dbraw/zinc/69/53/34/623695334.db2.gz QNIVNOQPEUPPLU-UHFFFAOYSA-N 1 1 317.345 3.045 20 5 DGBDMO Cc1c(CN[C@@H](CC[NH+](C)C)C(C)(C)C)cccc1[N+](=O)[O-] ZINC000779197863 623740871 /nfs/dbraw/zinc/74/08/71/623740871.db2.gz MNCPFAUCVPVBQS-INIZCTEOSA-N 1 1 307.438 3.359 20 5 DGBDMO Cc1nn(C[N@H+]2CCC[C@@H]2Cc2ccccc2C)cc1[N+](=O)[O-] ZINC000779860904 623823527 /nfs/dbraw/zinc/82/35/27/623823527.db2.gz KOTPDGJZISUVOP-MRXNPFEDSA-N 1 1 314.389 3.073 20 5 DGBDMO O=[N+]([O-])c1ccc(Cl)c(C[N@H+]2CC[C@H]3CSC[C@H]3C2)c1 ZINC000877739597 624012449 /nfs/dbraw/zinc/01/24/49/624012449.db2.gz ORAKWRIHMJTAIC-CMPLNLGQSA-N 1 1 312.822 3.433 20 5 DGBDMO O=[N+]([O-])c1ccc(Cl)cc1C[N@H+]1CC[C@@H]2CSC[C@@H]2C1 ZINC000877742201 624015236 /nfs/dbraw/zinc/01/52/36/624015236.db2.gz XXOBXNYGFLZFED-PWSUYJOCSA-N 1 1 312.822 3.433 20 5 DGBDMO C[C@@H]1C[N@H+](Cc2ccccc2[N+](=O)[O-])CC[C@@H](C(F)(F)F)O1 ZINC000877824690 624057936 /nfs/dbraw/zinc/05/79/36/624057936.db2.gz UNDSUSAYVKWLAQ-MFKMUULPSA-N 1 1 318.295 3.137 20 5 DGBDMO C[C@@H]1C[N@@H+](Cc2ccccc2[N+](=O)[O-])CC[C@@H](C(F)(F)F)O1 ZINC000877824690 624057943 /nfs/dbraw/zinc/05/79/43/624057943.db2.gz UNDSUSAYVKWLAQ-MFKMUULPSA-N 1 1 318.295 3.137 20 5 DGBDMO C[C@H]1CC[C@@]2(CC[N@@H+](Cn3ncc4cc([N+](=O)[O-])ccc43)C2)C1 ZINC000781585565 624097682 /nfs/dbraw/zinc/09/76/82/624097682.db2.gz NYZHZHZGGHFRDZ-SUMWQHHRSA-N 1 1 314.389 3.414 20 5 DGBDMO CC(C)[C@@H]1CCC[N@H+]1Cc1nnc(-c2ccccc2[N+](=O)[O-])o1 ZINC000877996465 624130264 /nfs/dbraw/zinc/13/02/64/624130264.db2.gz SXEYFXUHCFLYIA-ZDUSSCGKSA-N 1 1 316.361 3.265 20 5 DGBDMO CCC[N@@H+](Cc1nnc(-c2ccccc2[N+](=O)[O-])o1)C1CC1 ZINC000878056459 624151363 /nfs/dbraw/zinc/15/13/63/624151363.db2.gz WKDYSFKTHUYJAU-UHFFFAOYSA-N 1 1 302.334 3.019 20 5 DGBDMO NC(=[NH+]OCCOc1cccc([N+](=O)[O-])c1)C1CCCCC1 ZINC000782322557 624238836 /nfs/dbraw/zinc/23/88/36/624238836.db2.gz ZIYGTRAMMZUCOZ-UHFFFAOYSA-N 1 1 307.350 3.052 20 5 DGBDMO Cc1conc1C[N@@H+]1CCC[C@@H](c2ccc([N+](=O)[O-])cc2)C1 ZINC000878678452 624338396 /nfs/dbraw/zinc/33/83/96/624338396.db2.gz HWIOASUNXCTQKD-CQSZACIVSA-N 1 1 301.346 3.271 20 5 DGBDMO Cc1conc1C[N@H+]1CCC[C@@H](c2ccc([N+](=O)[O-])cc2)C1 ZINC000878678452 624338397 /nfs/dbraw/zinc/33/83/97/624338397.db2.gz HWIOASUNXCTQKD-CQSZACIVSA-N 1 1 301.346 3.271 20 5 DGBDMO C[C@@H]1[C@@H](C)[C@H](C)C[N@H+]1Cc1nnc(-c2ccccc2[N+](=O)[O-])o1 ZINC000878718078 624346939 /nfs/dbraw/zinc/34/69/39/624346939.db2.gz OKUSRJQKAFNOSO-GRYCIOLGSA-N 1 1 316.361 3.121 20 5 DGBDMO O=[N+]([O-])c1ccccc1-c1nnc(C[N@@H+]2CCC23CCCC3)o1 ZINC000878802413 624363258 /nfs/dbraw/zinc/36/32/58/624363258.db2.gz ZYSXFFZOQUSVOJ-UHFFFAOYSA-N 1 1 314.345 3.163 20 5 DGBDMO O=[N+]([O-])c1ccccc1-c1nnc(C[N@H+]2CCC23CCCC3)o1 ZINC000878802413 624363261 /nfs/dbraw/zinc/36/32/61/624363261.db2.gz ZYSXFFZOQUSVOJ-UHFFFAOYSA-N 1 1 314.345 3.163 20 5 DGBDMO C[C@@H](O)C[C@@H]1CCCC[N@H+]1Cc1ccc([N+](=O)[O-])c(Cl)c1 ZINC000790934579 625717683 /nfs/dbraw/zinc/71/76/83/625717683.db2.gz NBFSWPLNJYQZBP-YPMHNXCESA-N 1 1 312.797 3.374 20 5 DGBDMO C[C@@H](O)C[C@H]1CCCC[N@H+]1Cc1ccc([N+](=O)[O-])c(Cl)c1 ZINC000790934577 625718369 /nfs/dbraw/zinc/71/83/69/625718369.db2.gz NBFSWPLNJYQZBP-DGCLKSJQSA-N 1 1 312.797 3.374 20 5 DGBDMO Cc1nn(C[N@@H+](C)C[C@H]2CC=CCC2)c2ccc([N+](=O)[O-])cc12 ZINC000784008766 624419356 /nfs/dbraw/zinc/41/93/56/624419356.db2.gz HYHWKTUXVBDWQE-AWEZNQCLSA-N 1 1 314.389 3.499 20 5 DGBDMO Cc1ccc(C[N@H+]2CC[C@H](O)[C@@H]3CCCC[C@@H]32)cc1[N+](=O)[O-] ZINC000879417670 624539431 /nfs/dbraw/zinc/53/94/31/624539431.db2.gz FQNCFEMZUVICIL-VYDXJSESSA-N 1 1 304.390 3.029 20 5 DGBDMO O=[N+]([O-])c1cc(Cl)ccc1C[N@H+]1CC[C@H]2CSC[C@@H]2C1 ZINC000879560657 624590238 /nfs/dbraw/zinc/59/02/38/624590238.db2.gz VJAPHKSXGUFCTD-RYUDHWBXSA-N 1 1 312.822 3.433 20 5 DGBDMO C[C@H](O)[C@@H]1C[C@H](C)CC[N@H+]1Cc1ccc(Cl)c([N+](=O)[O-])c1 ZINC000785540507 624682991 /nfs/dbraw/zinc/68/29/91/624682991.db2.gz KSYFSXXRHOCKMB-SUNKGSAMSA-N 1 1 312.797 3.230 20 5 DGBDMO COc1cc([N+](=O)[O-])ccc1C[N@H+]1CC[C@@H](c2nccs2)C1 ZINC000880320219 624916332 /nfs/dbraw/zinc/91/63/32/624916332.db2.gz DVWCQEAUDLFLON-GFCCVEGCSA-N 1 1 319.386 3.049 20 5 DGBDMO O=C(OCc1csc([N+](=O)[O-])c1)[C@@H]1CCC[N@H+]1C1CCCC1 ZINC000786884923 624961567 /nfs/dbraw/zinc/96/15/67/624961567.db2.gz YGYIQOWZJLBVSO-ZDUSSCGKSA-N 1 1 324.402 3.107 20 5 DGBDMO C[C@H](Nc1ccc2c(c1)[nH+]cn2C)c1ccc(N)c([N+](=O)[O-])c1 ZINC000788729769 625251868 /nfs/dbraw/zinc/25/18/68/625251868.db2.gz MTUGOGXQUGFXAC-JTQLQIEISA-N 1 1 311.345 3.237 20 5 DGBDMO Cc1nn(C[N@H+]2CCC[C@H]2Cc2ccccc2)c(C)c1[N+](=O)[O-] ZINC000026234459 625862684 /nfs/dbraw/zinc/86/26/84/625862684.db2.gz IKEDWALSGCBBSV-INIZCTEOSA-N 1 1 314.389 3.073 20 5 DGBDMO C[N@@H+](CCc1ccccn1)Cc1ccc([N+](=O)[O-])c(Cl)c1 ZINC000131068318 625938078 /nfs/dbraw/zinc/93/80/78/625938078.db2.gz QMMPAWFJSMLUHW-UHFFFAOYSA-N 1 1 305.765 3.318 20 5 DGBDMO CCC[N@H+]1CCC[C@H]1CNCc1cc([N+](=O)[O-])ccc1Cl ZINC000796519419 626058414 /nfs/dbraw/zinc/05/84/14/626058414.db2.gz BXKYZNDTRMLGGQ-AWEZNQCLSA-N 1 1 311.813 3.212 20 5 DGBDMO CC[N@@H+](CCc1ccccn1)Cc1ccc([N+](=O)[O-])cc1OC ZINC000797518781 626150869 /nfs/dbraw/zinc/15/08/69/626150869.db2.gz LIPPBLHVFROYLO-UHFFFAOYSA-N 1 1 315.373 3.063 20 5 DGBDMO C[N@@H+](Cc1ccc([N+](=O)[O-])c(F)c1)C1Cc2ccccc2C1 ZINC000801512377 626406479 /nfs/dbraw/zinc/40/64/79/626406479.db2.gz UKVJSRGFNIMRQU-UHFFFAOYSA-N 1 1 300.333 3.333 20 5 DGBDMO C[N@@H+](Cc1ccc([N+](=O)[O-])c(F)c1)CC1(O)CCCCCC1 ZINC000801546417 626409226 /nfs/dbraw/zinc/40/92/26/626409226.db2.gz LLNMULOEKNRKQD-UHFFFAOYSA-N 1 1 310.369 3.251 20 5 DGBDMO Cc1ccc([C@H](O)C[N@@H+](C)CCc2cccc([N+](=O)[O-])c2)cc1 ZINC000801600207 626411832 /nfs/dbraw/zinc/41/18/32/626411832.db2.gz MRBFOFNEKZTNJB-GOSISDBHSA-N 1 1 314.385 3.111 20 5 DGBDMO C[N@@H+](CCc1cccc([N+](=O)[O-])c1)Cc1cccc([N+](=O)[O-])c1 ZINC000801600389 626411887 /nfs/dbraw/zinc/41/18/87/626411887.db2.gz PVSFCDPSMFAIEB-UHFFFAOYSA-N 1 1 315.329 3.178 20 5 DGBDMO C[N@H+]1CC[C@@H](CSc2nc3ccc([N+](=O)[O-])cc3s2)C1 ZINC000839987588 626588225 /nfs/dbraw/zinc/58/82/25/626588225.db2.gz XKEWGLVJAUCJNG-SECBINFHSA-N 1 1 309.416 3.248 20 5 DGBDMO C[N@@H+]1CCCC[C@@H]1C(=O)Nc1ccc(C(C)(C)C)c([N+](=O)[O-])c1 ZINC000803613738 626624927 /nfs/dbraw/zinc/62/49/27/626624927.db2.gz KXDFCXUSORAUEL-CQSZACIVSA-N 1 1 319.405 3.315 20 5 DGBDMO C[N@H+]1CCCC[C@@H]1C(=O)Nc1ccc(C(C)(C)C)c([N+](=O)[O-])c1 ZINC000803613738 626624929 /nfs/dbraw/zinc/62/49/29/626624929.db2.gz KXDFCXUSORAUEL-CQSZACIVSA-N 1 1 319.405 3.315 20 5 DGBDMO C[N@H+]1CCC[C@H]2CN(c3cc(Cl)ccc3[N+](=O)[O-])CC[C@@H]21 ZINC000804557096 626692740 /nfs/dbraw/zinc/69/27/40/626692740.db2.gz LBGJPOCGGPBUFC-AAEUAGOBSA-N 1 1 309.797 3.169 20 5 DGBDMO Cc1[nH+]ccn1CCCN(C)c1cc(Cl)ccc1[N+](=O)[O-] ZINC000804564948 626693355 /nfs/dbraw/zinc/69/33/55/626693355.db2.gz UVBDKWMGTGBHCK-UHFFFAOYSA-N 1 1 308.769 3.280 20 5 DGBDMO O=[N+]([O-])c1ccccc1C[NH2+][C@H]1CCc2nc(Cl)ccc21 ZINC000806144500 626701947 /nfs/dbraw/zinc/70/19/47/626701947.db2.gz WUMVGKMNELVEFW-LBPRGKRZSA-N 1 1 303.749 3.420 20 5 DGBDMO CCCC[N@@H+](C)C[C@H](C)Nc1c([N+](=O)[O-])cccc1[N+](=O)[O-] ZINC000808175999 626803210 /nfs/dbraw/zinc/80/32/10/626803210.db2.gz ANWPFFZGKISVAI-NSHDSACASA-N 1 1 310.354 3.035 20 5 DGBDMO C[N@@H+](Cc1cc([N+](=O)[O-])ccc1Cl)CC1CCC(=O)CC1 ZINC000809577217 626921807 /nfs/dbraw/zinc/92/18/07/626921807.db2.gz MRRNXALPWOYBTC-UHFFFAOYSA-N 1 1 310.781 3.439 20 5 DGBDMO C[N@H+](Cc1cc([N+](=O)[O-])ccc1Cl)CC1CCC(=O)CC1 ZINC000809577217 626921810 /nfs/dbraw/zinc/92/18/10/626921810.db2.gz MRRNXALPWOYBTC-UHFFFAOYSA-N 1 1 310.781 3.439 20 5 DGBDMO CCCC[N@@H+](CCCO)Cc1ccc([N+](=O)[O-])c(Cl)c1 ZINC000809752240 626946617 /nfs/dbraw/zinc/94/66/17/626946617.db2.gz OJFBEHIRAZFTLP-UHFFFAOYSA-N 1 1 300.786 3.233 20 5 DGBDMO COCC[N@H+](Cc1cccnc1[N+](=O)[O-])[C@H](C)c1ccccc1 ZINC000885970637 627073698 /nfs/dbraw/zinc/07/36/98/627073698.db2.gz FYYALTCUUFNERY-CQSZACIVSA-N 1 1 315.373 3.199 20 5 DGBDMO COCC[N@@H+](Cc1cccnc1[N+](=O)[O-])[C@H](C)c1ccccc1 ZINC000885970637 627073700 /nfs/dbraw/zinc/07/37/00/627073700.db2.gz FYYALTCUUFNERY-CQSZACIVSA-N 1 1 315.373 3.199 20 5 DGBDMO O=[N+]([O-])c1ncccc1C[NH2+]C1(c2cccc(Cl)c2)CC1 ZINC000886111875 627107053 /nfs/dbraw/zinc/10/70/53/627107053.db2.gz KDMHKXYZDRBPBJ-UHFFFAOYSA-N 1 1 303.749 3.422 20 5 DGBDMO Cc1ccc([N+](=O)[O-])c(C)c1C[NH2+]Cc1cc(C2CC2)no1 ZINC000886268982 627128108 /nfs/dbraw/zinc/12/81/08/627128108.db2.gz HLBJNHBPQDWVEA-UHFFFAOYSA-N 1 1 301.346 3.367 20 5 DGBDMO C[C@@H]1C[N@@H+](Cc2cccnc2[N+](=O)[O-])CCc2ccc(F)cc21 ZINC000886268987 627128385 /nfs/dbraw/zinc/12/83/85/627128385.db2.gz HQARANPUEZBYMC-GFCCVEGCSA-N 1 1 315.348 3.291 20 5 DGBDMO Cc1ccccc1[C@H](CO)[N@H+](C)Cc1ccc(F)cc1[N+](=O)[O-] ZINC000886445188 627149138 /nfs/dbraw/zinc/14/91/38/627149138.db2.gz ZDDQYHDULOFAKT-KRWDZBQOSA-N 1 1 318.348 3.208 20 5 DGBDMO Cc1ccccc1[C@H](CO)[N@@H+](C)Cc1ccc(F)cc1[N+](=O)[O-] ZINC000886445188 627149139 /nfs/dbraw/zinc/14/91/39/627149139.db2.gz ZDDQYHDULOFAKT-KRWDZBQOSA-N 1 1 318.348 3.208 20 5 DGBDMO Cc1noc(C[N@@H+]2CC[C@@H](C)[C@@H]2c2ccccc2)c1[N+](=O)[O-] ZINC000886540230 627159309 /nfs/dbraw/zinc/15/93/09/627159309.db2.gz BCFXVVMXQCNOQV-IAQYHMDHSA-N 1 1 301.346 3.474 20 5 DGBDMO CCC[C@@H](C)C(=O)O[C@H]1CC[N@H+](Cc2cccc([N+](=O)[O-])c2)C1 ZINC000813171961 627461566 /nfs/dbraw/zinc/46/15/66/627461566.db2.gz XXZMJWWHKXWLFN-CJNGLKHVSA-N 1 1 320.389 3.149 20 5 DGBDMO CCC[C@@H](C)C(=O)O[C@H]1CC[N@@H+](Cc2cccc([N+](=O)[O-])c2)C1 ZINC000813171961 627461568 /nfs/dbraw/zinc/46/15/68/627461568.db2.gz XXZMJWWHKXWLFN-CJNGLKHVSA-N 1 1 320.389 3.149 20 5 DGBDMO Cc1cc(N2CC[C@@]3(C2)CCC[N@H+](C)C3)c(Cl)cc1[N+](=O)[O-] ZINC000814909877 627606384 /nfs/dbraw/zinc/60/63/84/627606384.db2.gz PKAOCFIHSWPUMG-INIZCTEOSA-N 1 1 323.824 3.479 20 5 DGBDMO Cn1ncc(C[NH2+]C(C)(C)c2ccc([N+](=O)[O-])cc2)c1Cl ZINC000815128524 627632817 /nfs/dbraw/zinc/63/28/17/627632817.db2.gz DWSNFFSJZANEPC-UHFFFAOYSA-N 1 1 308.769 3.007 20 5 DGBDMO C[N@H+]1CCC[C@]2(CCN(Cc3cc([N+](=O)[O-])ccc3Cl)C2)C1 ZINC000815144302 627636933 /nfs/dbraw/zinc/63/69/33/627636933.db2.gz YDMWEMVARNLLQR-INIZCTEOSA-N 1 1 323.824 3.166 20 5 DGBDMO Cc1ccc(CN[C@H]2CC[NH2+]C[C@@H]2C2CCCC2)cc1[N+](=O)[O-] ZINC000925733722 627784684 /nfs/dbraw/zinc/78/46/84/627784684.db2.gz LULIQTVBUBFVKE-SJORKVTESA-N 1 1 317.433 3.161 20 5 DGBDMO O=[N+]([O-])c1ccc(Cl)c(C[N@H+]2CC[C@@H](O)CC23CCC3)c1 ZINC000817291241 627878844 /nfs/dbraw/zinc/87/88/44/627878844.db2.gz MWVZTDDMJZDEHH-CYBMUJFWSA-N 1 1 310.781 3.128 20 5 DGBDMO O=[N+]([O-])c1ccc(Cl)c(C[N@@H+]2CC[C@@H](O)CC23CCC3)c1 ZINC000817291241 627878845 /nfs/dbraw/zinc/87/88/45/627878845.db2.gz MWVZTDDMJZDEHH-CYBMUJFWSA-N 1 1 310.781 3.128 20 5 DGBDMO O=[N+]([O-])c1cc(C[N@@H+]2CCC[C@H](CCO)CC2)ccc1Cl ZINC000817297524 627879545 /nfs/dbraw/zinc/87/95/45/627879545.db2.gz RWPFIZOSQWLFLN-LBPRGKRZSA-N 1 1 312.797 3.233 20 5 DGBDMO COc1ccnc([C@H](C)[NH2+][C@H](C)c2ccc([N+](=O)[O-])cc2)c1 ZINC000926890101 627972489 /nfs/dbraw/zinc/97/24/89/627972489.db2.gz AUAAEVHYZHANIJ-NEPJUHHUSA-N 1 1 301.346 3.410 20 5 DGBDMO CC1(C)C[C@@H](c2ccccc2)[N@H+](Cn2nccc2[N+](=O)[O-])C1 ZINC000819900372 628196962 /nfs/dbraw/zinc/19/69/62/628196962.db2.gz BZNYXXJGEIZBIE-AWEZNQCLSA-N 1 1 300.362 3.222 20 5 DGBDMO CC1(C)C[C@@H](c2ccccc2)[N@@H+](Cn2nccc2[N+](=O)[O-])C1 ZINC000819900372 628196963 /nfs/dbraw/zinc/19/69/63/628196963.db2.gz BZNYXXJGEIZBIE-AWEZNQCLSA-N 1 1 300.362 3.222 20 5 DGBDMO C[N@@H+](Cc1ccccc1[N+](=O)[O-])C[C@H]1CC[C@@H](C(F)(F)F)O1 ZINC000929166001 628218631 /nfs/dbraw/zinc/21/86/31/628218631.db2.gz YWRHAHUZMPPIGR-YPMHNXCESA-N 1 1 318.295 3.137 20 5 DGBDMO C[N@H+](Cc1ccccc1[N+](=O)[O-])C[C@H]1CC[C@@H](C(F)(F)F)O1 ZINC000929166001 628218634 /nfs/dbraw/zinc/21/86/34/628218634.db2.gz YWRHAHUZMPPIGR-YPMHNXCESA-N 1 1 318.295 3.137 20 5 DGBDMO CC[N@@H+](C)C[C@H]1CCN(c2cc(Cl)c(F)cc2[N+](=O)[O-])C1 ZINC000820670303 628284472 /nfs/dbraw/zinc/28/44/72/628284472.db2.gz MHZHASOONHCFNP-SNVBAGLBSA-N 1 1 315.776 3.165 20 5 DGBDMO C[C@@]12COC[C@]1(C)C[N@H+](Cc1ccc([N+](=O)[O-])c(Cl)c1)C2 ZINC000827017682 628913264 /nfs/dbraw/zinc/91/32/64/628913264.db2.gz IBTOPCNAMDVAAX-GASCZTMLSA-N 1 1 310.781 3.107 20 5 DGBDMO CCOC(C[N@H+]1CCC[C@H](c2ccc([N+](=O)[O-])cc2)C1)OCC ZINC000831539479 629388266 /nfs/dbraw/zinc/38/82/66/629388266.db2.gz RWXOKOFONBFPGN-HNNXBMFYSA-N 1 1 322.405 3.173 20 5 DGBDMO CC(C)[N@H+]1CCCC[C@H]1COC(=O)c1csc([N+](=O)[O-])c1 ZINC000837446323 630258826 /nfs/dbraw/zinc/25/88/26/630258826.db2.gz NCGLPGHUONIPSP-LBPRGKRZSA-N 1 1 312.391 3.076 20 5 DGBDMO CC(C)[N@H+]1CCCC[C@H]1COC(=O)c1ccc([N+](=O)[O-])c(F)c1 ZINC000837501807 630267484 /nfs/dbraw/zinc/26/74/84/630267484.db2.gz WVMKRFPTLGBOMQ-ZDUSSCGKSA-N 1 1 324.352 3.154 20 5 DGBDMO O=[N+]([O-])c1ccc(C[NH+]2CCC(OC3CCC3)CC2)cc1F ZINC000842159673 630500013 /nfs/dbraw/zinc/50/00/13/630500013.db2.gz WXTFKYSKGQMCNM-UHFFFAOYSA-N 1 1 308.353 3.267 20 5 DGBDMO CC(C)[C@@H]1[N@@H+](C[C@H](O)c2cccc([N+](=O)[O-])c2)CC12CC=CC2 ZINC000843296497 630643353 /nfs/dbraw/zinc/64/33/53/630643353.db2.gz MGXXSBCSROUPDI-IRXDYDNUSA-N 1 1 316.401 3.305 20 5 DGBDMO C[C@H](CO)C1CC[NH+](Cc2cc(Cl)ccc2[N+](=O)[O-])CC1 ZINC000844415909 630727068 /nfs/dbraw/zinc/72/70/68/630727068.db2.gz HPLDMBBDUTYMLD-LLVKDONJSA-N 1 1 312.797 3.089 20 5 DGBDMO Cc1nn(C[N@H+]2CCc3ccccc3[C@@H](C)C2)c(C)c1[N+](=O)[O-] ZINC000844743663 630825305 /nfs/dbraw/zinc/82/53/05/630825305.db2.gz YMTJSDBXHRQKKW-LBPRGKRZSA-N 1 1 314.389 3.027 20 5 DGBDMO Cc1nn(C[N@H+]2CCc3ccccc3[C@H](C)C2)c(C)c1[N+](=O)[O-] ZINC000844743661 630825598 /nfs/dbraw/zinc/82/55/98/630825598.db2.gz YMTJSDBXHRQKKW-GFCCVEGCSA-N 1 1 314.389 3.027 20 5 DGBDMO Cn1cc[nH+]c1[C@H]1CCN(c2cc(Cl)c(F)cc2[N+](=O)[O-])C1 ZINC000845510321 631179802 /nfs/dbraw/zinc/17/98/02/631179802.db2.gz YJUXZLPSLRSKHI-VIFPVBQESA-N 1 1 324.743 3.115 20 5 DGBDMO CC(=O)c1ccc([N+](=O)[O-])cc1N[C@@H]1CCC[N@H+]2CCCC[C@@H]12 ZINC000848785598 631748324 /nfs/dbraw/zinc/74/83/24/631748324.db2.gz MTOLTWCFMOIRQK-WBVHZDCISA-N 1 1 317.389 3.226 20 5 DGBDMO C[C@@H]1CCC[N@@H+](Cc2cc(Cl)ccc2[N+](=O)[O-])[C@H]1CCO ZINC000852455990 632605962 /nfs/dbraw/zinc/60/59/62/632605962.db2.gz HMTASBUPIVHJDC-RISCZKNCSA-N 1 1 312.797 3.231 20 5 DGBDMO O=[N+]([O-])c1ccc(C[N@H+]2CCC[C@H](CCF)C2)c([N+](=O)[O-])c1 ZINC000852531938 632618849 /nfs/dbraw/zinc/61/88/49/632618849.db2.gz ZULKLJVRNRATIP-LLVKDONJSA-N 1 1 311.313 3.075 20 5 DGBDMO Cc1cccc([N+](=O)[O-])c1N1CCC[C@@H](c2[nH+]ccn2C)C1 ZINC000357681709 660475984 /nfs/dbraw/zinc/47/59/84/660475984.db2.gz BBVQEZQKYAZIFX-CYBMUJFWSA-N 1 1 300.362 3.021 20 5 DGBDMO Cc1cc(N2CCC[C@@H](c3[nH+]ccn3C)C2)c(F)cc1[N+](=O)[O-] ZINC000360049426 660495419 /nfs/dbraw/zinc/49/54/19/660495419.db2.gz DGZVDRPFIFGSII-GFCCVEGCSA-N 1 1 318.352 3.160 20 5 DGBDMO C[N@@H+](C[C@H](O)c1cccc([N+](=O)[O-])c1)C(C)(C)c1ccccc1 ZINC000792925824 660994162 /nfs/dbraw/zinc/99/41/62/660994162.db2.gz LCEKFCPRVAZXKE-KRWDZBQOSA-N 1 1 314.385 3.495 20 5 DGBDMO O=[N+]([O-])c1ccc(C[N@@H+]2CCCCC[C@H]2CCO)cc1Cl ZINC000793610707 661049754 /nfs/dbraw/zinc/04/97/54/661049754.db2.gz WOYGYOURPRKDOV-ZDUSSCGKSA-N 1 1 312.797 3.375 20 5 DGBDMO Cc1nn(C[N@H+]2CC[C@H](c3ccc(C)cc3C)C2)cc1[N+](=O)[O-] ZINC000794656204 661096854 /nfs/dbraw/zinc/09/68/54/661096854.db2.gz QDESHNYLRNCBJH-HNNXBMFYSA-N 1 1 314.389 3.164 20 5 DGBDMO O=[N+]([O-])c1ccc2cnn(C[N@@H+]3CCC=C(c4ccco4)C3)c2c1 ZINC000795647964 661165339 /nfs/dbraw/zinc/16/53/39/661165339.db2.gz BBIRSCCPVIOLLK-UHFFFAOYSA-N 1 1 324.340 3.284 20 5 DGBDMO O=[N+]([O-])c1ccc2cnn(C[N@H+]3CCC=C(c4ccco4)C3)c2c1 ZINC000795647964 661165341 /nfs/dbraw/zinc/16/53/41/661165341.db2.gz BBIRSCCPVIOLLK-UHFFFAOYSA-N 1 1 324.340 3.284 20 5 DGBDMO CCc1[nH+]ccn1Cc1cccc([N+](=O)[O-])c1Br ZINC000234138061 655614254 /nfs/dbraw/zinc/61/42/54/655614254.db2.gz AFOZKQBCSPNYRY-UHFFFAOYSA-N 1 1 310.151 3.165 20 5 DGBDMO O=[N+]([O-])c1ccnn1C[N@H+]1C[C@H](c2ccccc2)[C@@H]2CCC[C@H]21 ZINC000795678528 661167159 /nfs/dbraw/zinc/16/71/59/661167159.db2.gz FMOHHMGYVFMMDC-ARFHVFGLSA-N 1 1 312.373 3.017 20 5 DGBDMO CC(=O)Oc1ccc(C[N@@H+](C)Cc2ccccc2[N+](=O)[O-])cc1 ZINC000178136142 655955835 /nfs/dbraw/zinc/95/58/35/655955835.db2.gz WDYOWODKKNHSOF-UHFFFAOYSA-N 1 1 314.341 3.152 20 5 DGBDMO CC(=O)Oc1ccc(C[N@H+](C)Cc2ccccc2[N+](=O)[O-])cc1 ZINC000178136142 655955837 /nfs/dbraw/zinc/95/58/37/655955837.db2.gz WDYOWODKKNHSOF-UHFFFAOYSA-N 1 1 314.341 3.152 20 5 DGBDMO Cc1cn(Cc2ccc(Br)c([N+](=O)[O-])c2)c(C)[nH+]1 ZINC000715123304 661208945 /nfs/dbraw/zinc/20/89/45/661208945.db2.gz XONWDRLJBSMTHR-UHFFFAOYSA-N 1 1 310.151 3.219 20 5 DGBDMO O=[N+]([O-])c1cnn(C[N@@H+]2CCC[C@@H](c3ccccc3)CC2)c1 ZINC000066796016 656071599 /nfs/dbraw/zinc/07/15/99/656071599.db2.gz SJJRZAZACOSTHJ-OAHLLOKOSA-N 1 1 300.362 3.019 20 5 DGBDMO O=[N+]([O-])c1cnn(C[N@H+]2CCC[C@@H](c3ccccc3)CC2)c1 ZINC000066796016 656071601 /nfs/dbraw/zinc/07/16/01/656071601.db2.gz SJJRZAZACOSTHJ-OAHLLOKOSA-N 1 1 300.362 3.019 20 5 DGBDMO Cc1nc(C)c(C[N@H+]2CCC[C@H](c3ccc([N+](=O)[O-])cc3)C2)[nH]1 ZINC000930638284 656110234 /nfs/dbraw/zinc/11/02/34/656110234.db2.gz NBRIRUKLBWHLLW-HNNXBMFYSA-N 1 1 314.389 3.314 20 5 DGBDMO O=[N+]([O-])c1ccc(CN2CCC([C@@H]3CCC[NH2+]3)CC2)cc1Cl ZINC000261962662 657265107 /nfs/dbraw/zinc/26/51/07/657265107.db2.gz PKYRXXQHDIGNEG-HNNXBMFYSA-N 1 1 323.824 3.212 20 5 DGBDMO CC[N@@H+](Cn1cnc(-c2ccc([N+](=O)[O-])cc2)n1)[C@H](C)C(C)C ZINC000067366687 657330084 /nfs/dbraw/zinc/33/00/84/657330084.db2.gz UKRZHMLCPMMMNS-CYBMUJFWSA-N 1 1 317.393 3.177 20 5 DGBDMO COc1ccc(C[N@H+](C)Cc2cccc([N+](=O)[O-])c2)cc1F ZINC000061783727 659290801 /nfs/dbraw/zinc/29/08/01/659290801.db2.gz YMCFDRMSLXEXMC-UHFFFAOYSA-N 1 1 304.321 3.375 20 5 DGBDMO COc1ccc(C[N@@H+](C)Cc2cccc([N+](=O)[O-])c2)cc1F ZINC000061783727 659290804 /nfs/dbraw/zinc/29/08/04/659290804.db2.gz YMCFDRMSLXEXMC-UHFFFAOYSA-N 1 1 304.321 3.375 20 5 DGBDMO Cc1ccc([N+](=O)[O-])c(N2CCC[C@@H](c3[nH+]ccn3C)C2)c1 ZINC000443945821 659710794 /nfs/dbraw/zinc/71/07/94/659710794.db2.gz KETWBBAHUUWQTQ-CYBMUJFWSA-N 1 1 300.362 3.021 20 5 DGBDMO C[N@@H+](CCNCc1cc([N+](=O)[O-])ccc1Cl)C1CCCC1 ZINC000071376866 660118994 /nfs/dbraw/zinc/11/89/94/660118994.db2.gz YHXFGQHLKHIALE-UHFFFAOYSA-N 1 1 311.813 3.212 20 5 DGBDMO O=[N+]([O-])c1cccc2c1CC[N@H+](CCSc1ccncc1)C2 ZINC000930100041 661366463 /nfs/dbraw/zinc/36/64/63/661366463.db2.gz PSZFGRDEJBGXNB-UHFFFAOYSA-N 1 1 315.398 3.140 20 5 DGBDMO O=[N+]([O-])c1cccc2c1CC[N@@H+](CCSc1ccncc1)C2 ZINC000930100041 661366464 /nfs/dbraw/zinc/36/64/64/661366464.db2.gz PSZFGRDEJBGXNB-UHFFFAOYSA-N 1 1 315.398 3.140 20 5 DGBDMO C[N@@H+](CCSc1ccncc1)CCc1cccc([N+](=O)[O-])c1 ZINC000930354386 661391709 /nfs/dbraw/zinc/39/17/09/661391709.db2.gz PAIXCLDDPNCCBS-UHFFFAOYSA-N 1 1 317.414 3.256 20 5 DGBDMO Cc1cccc([C@@H](O)C[N@@H+](C)CCc2ccccc2[N+](=O)[O-])c1 ZINC000930439868 661398662 /nfs/dbraw/zinc/39/86/62/661398662.db2.gz KFWXXQZDJIGDEW-SFHVURJKSA-N 1 1 314.385 3.111 20 5 DGBDMO COC/C(C)=C/C[N@H+]1CCC[C@@H](c2ccc([N+](=O)[O-])cc2)C1 ZINC000930636371 661417668 /nfs/dbraw/zinc/41/76/68/661417668.db2.gz GBNKLPDGXXFOKR-SCZPIIQISA-N 1 1 304.390 3.367 20 5 DGBDMO O=[N+]([O-])c1cc(Cl)ccc1C[NH+]1CCC(O)(C2CCC2)CC1 ZINC000932813217 661598616 /nfs/dbraw/zinc/59/86/16/661598616.db2.gz GZEVVUVDEGXCRE-UHFFFAOYSA-N 1 1 324.808 3.375 20 5 DGBDMO CC1(C)C[C@@H](c2ccccc2)C[N@H+]1CCn1cc([N+](=O)[O-])cn1 ZINC000932899733 661607328 /nfs/dbraw/zinc/60/73/28/661607328.db2.gz NBBQLSFMTASCMO-OAHLLOKOSA-N 1 1 314.389 3.059 20 5 DGBDMO O=[N+]([O-])c1cccc(C[N@H+]2CCC[C@@H](C3CCOCC3)C2)c1 ZINC000933081460 661616361 /nfs/dbraw/zinc/61/63/61/661616361.db2.gz IQATXYFYRKTDPO-MRXNPFEDSA-N 1 1 304.390 3.233 20 5 DGBDMO O=[N+]([O-])c1ccccc1C[N@H+]1CCC[C@@H](C2CCOCC2)C1 ZINC000933083453 661616917 /nfs/dbraw/zinc/61/69/17/661616917.db2.gz UTZDATMXLXOOQT-OAHLLOKOSA-N 1 1 304.390 3.233 20 5 DGBDMO CCOc1ccc([N+](=O)[O-])cc1C[NH2+][C@H](C)c1cncs1 ZINC000934199423 661686547 /nfs/dbraw/zinc/68/65/47/661686547.db2.gz WRHDPCOYUCKBPG-SNVBAGLBSA-N 1 1 307.375 3.301 20 5 DGBDMO CC[C@@H](NC(=O)[C@@H]1CCC[N@H+]1C(C)C)c1cccc([N+](=O)[O-])c1 ZINC000934208963 661688199 /nfs/dbraw/zinc/68/81/99/661688199.db2.gz HKUNWHLGPOFZAG-CVEARBPZSA-N 1 1 319.405 3.035 20 5 DGBDMO CC1(C)C[N@@H+](C[C@@H](O)c2cccc([N+](=O)[O-])c2)[C@@H]2CCC[C@@H]21 ZINC000934761394 661732778 /nfs/dbraw/zinc/73/27/78/661732778.db2.gz GBIIRFVUWVLHDK-ARFHVFGLSA-N 1 1 304.390 3.139 20 5 DGBDMO O=[N+]([O-])c1ccc(C[N@H+]2CCCC[C@H]([C@@H]3CCOC3)C2)cc1 ZINC000934837656 661739218 /nfs/dbraw/zinc/73/92/18/661739218.db2.gz UZWDVOKYIMPCCW-JKSUJKDBSA-N 1 1 304.390 3.233 20 5 DGBDMO C[C@@H](C[NH2+]Cc1cc(Cl)ccc1[N+](=O)[O-])N1CCCCC1 ZINC000084439911 662200608 /nfs/dbraw/zinc/20/06/08/662200608.db2.gz AVYRNXPKZJFIRL-LBPRGKRZSA-N 1 1 311.813 3.212 20 5 DGBDMO O=C1CC[N@@H+](Cc2c3ccccc3cc3ccccc32)CCN1 ZINC000093101704 662344218 /nfs/dbraw/zinc/34/42/18/662344218.db2.gz DINWEOYXVYSEPE-UHFFFAOYSA-N 1 1 304.393 3.315 20 5 DGBDMO CCC(=O)c1ccc(N[C@@H]2C[N@H+](C3CC3)C[C@@H]2C)c([N+](=O)[O-])c1 ZINC000480064337 1178061055 /nfs/dbraw/zinc/06/10/55/1178061055.db2.gz STOQBAGMULCFRU-XHDPSFHLSA-N 1 1 317.389 3.082 20 5 DGBDMO CS[C@H]1CC[C@@H]([N@@H+](C)Cc2nc3cc([N+](=O)[O-])ccc3o2)C1 ZINC001332958144 1178528686 /nfs/dbraw/zinc/52/86/86/1178528686.db2.gz HFZPLPYTBDYHGQ-PWSUYJOCSA-N 1 1 321.402 3.452 20 5 DGBDMO O=[N+]([O-])c1cnc(N[C@H]2CC[N@H+]3CCCC[C@@H]23)c2ccccc21 ZINC001333347623 1178592427 /nfs/dbraw/zinc/59/24/27/1178592427.db2.gz ZQSNOTOLTWUPLM-GJZGRUSLSA-N 1 1 312.373 3.182 20 5 DGBDMO O=[N+]([O-])c1ccc2c(c1)C[N@H+](C[C@@H]1CCOc3ccccc31)C2 ZINC001341569297 1179030235 /nfs/dbraw/zinc/03/02/35/1179030235.db2.gz NARDDEKBXFIJQW-AWEZNQCLSA-N 1 1 310.353 3.477 20 5 DGBDMO O=[N+]([O-])c1ccc2c(c1)C[N@H+](C[C@H]1CCOc3ccccc31)C2 ZINC001341569298 1179030628 /nfs/dbraw/zinc/03/06/28/1179030628.db2.gz NARDDEKBXFIJQW-CQSZACIVSA-N 1 1 310.353 3.477 20 5 DGBDMO Cc1nn(C[N@H+]2CCC[C@H](CCF)C2)c2ccc([N+](=O)[O-])cc12 ZINC001347238706 1179786606 /nfs/dbraw/zinc/78/66/06/1179786606.db2.gz RXOPNKHNQFCSEG-CYBMUJFWSA-N 1 1 320.368 3.282 20 5 DGBDMO Cc1cc([C@H]2CCCC[N@H+]2CCc2ccc([N+](=O)[O-])cc2)[nH]n1 ZINC001460831377 1182729529 /nfs/dbraw/zinc/72/95/29/1182729529.db2.gz BLINJIYISABHBW-QGZVFWFLSA-N 1 1 314.389 3.396 20 5 DGBDMO Cc1cc([C@H]2CCCC[N@@H+]2CCc2ccc([N+](=O)[O-])cc2)n[nH]1 ZINC001460831377 1182729534 /nfs/dbraw/zinc/72/95/34/1182729534.db2.gz BLINJIYISABHBW-QGZVFWFLSA-N 1 1 314.389 3.396 20 5 DGBDMO Cc1cc([C@H]2CCCC[N@H+]2CCc2ccc([N+](=O)[O-])cc2)n[nH]1 ZINC001460831377 1182729539 /nfs/dbraw/zinc/72/95/39/1182729539.db2.gz BLINJIYISABHBW-QGZVFWFLSA-N 1 1 314.389 3.396 20 5 DGBDMO O=[N+]([O-])c1ncccc1NC[C@H]1CC[N@H+]1C1CCCCCC1 ZINC001472857225 1183691306 /nfs/dbraw/zinc/69/13/06/1183691306.db2.gz ASAJMBISBDUYCT-CQSZACIVSA-N 1 1 304.394 3.199 20 5 DGBDMO CCc1[nH+]ccn1CCNc1ccc([N+](=O)[O-])cc1C(F)F ZINC001472876485 1183693989 /nfs/dbraw/zinc/69/39/89/1183693989.db2.gz SSZZAYPMHVKNMI-UHFFFAOYSA-N 1 1 310.304 3.403 20 5 DGBDMO C[N@H+]1C[C@@]23CN(c4c(F)cccc4[N+](=O)[O-])C[C@]2(C1)CCCC3 ZINC001472903448 1183698710 /nfs/dbraw/zinc/69/87/10/1183698710.db2.gz CWCPZJIBNIAEKQ-CALCHBBNSA-N 1 1 319.380 3.046 20 5 DGBDMO CC1(C)CO[C@@H](C[N@H+](Cc2ccccc2[N+](=O)[O-])C2CC2)C1 ZINC001473294126 1183741092 /nfs/dbraw/zinc/74/10/92/1183741092.db2.gz HBCMMTPUJFTMOZ-OAHLLOKOSA-N 1 1 304.390 3.374 20 5 DGBDMO CC1(C)CO[C@@H](C[N@@H+](Cc2ccccc2[N+](=O)[O-])C2CC2)C1 ZINC001473294126 1183741122 /nfs/dbraw/zinc/74/11/22/1183741122.db2.gz HBCMMTPUJFTMOZ-OAHLLOKOSA-N 1 1 304.390 3.374 20 5 DGBDMO COc1c(O)ccc(C[N@@H+](C)[C@H]2CCC[C@H](C)C2)c1[N+](=O)[O-] ZINC001474401059 1183916154 /nfs/dbraw/zinc/91/61/54/1183916154.db2.gz DJFZKGJMHRPEEF-AAEUAGOBSA-N 1 1 308.378 3.320 20 5 DGBDMO CC[N@@H+]1[C@H](C)CN(c2nc3ccccc3cc2[N+](=O)[O-])C[C@@H]1C ZINC001612819976 1193462075 /nfs/dbraw/zinc/46/20/75/1193462075.db2.gz KSZCBICRGPOJSL-BETUJISGSA-N 1 1 314.389 3.062 20 5 DGBDMO CCc1[nH+]ccn1CCNc1cc(OC)c([N+](=O)[O-])cc1Cl ZINC001612908010 1193463336 /nfs/dbraw/zinc/46/33/36/1193463336.db2.gz HOPIZWFBHHRIRL-UHFFFAOYSA-N 1 1 324.768 3.128 20 5 DGBDMO CC[N@@H+](C)[C@H]1CCN(c2cc(C(F)(F)F)ccc2[N+](=O)[O-])C1 ZINC001613088380 1193467448 /nfs/dbraw/zinc/46/74/48/1193467448.db2.gz TYFTXCFQLJKWJB-NSHDSACASA-N 1 1 317.311 3.144 20 5 DGBDMO CC[C@H]1CCC[N@H+]([C@H](C)C(=O)Nc2cccc([N+](=O)[O-])c2)CC1 ZINC001615497092 1193523048 /nfs/dbraw/zinc/52/30/48/1193523048.db2.gz STININYLLJNGTA-KGLIPLIRSA-N 1 1 319.405 3.434 20 5 DGBDMO CC(C)[N@@H+](C)CCNc1cccc(C(F)(F)F)c1[N+](=O)[O-] ZINC001559092022 1189170003 /nfs/dbraw/zinc/17/00/03/1189170003.db2.gz ZNWWJFMFOPRRAG-UHFFFAOYSA-N 1 1 305.300 3.366 20 5 DGBDMO Cc1cc(N(C)CC[C@@H]2CCCC[N@H+]2C)c(F)cc1[N+](=O)[O-] ZINC001559118481 1189172580 /nfs/dbraw/zinc/17/25/80/1189172580.db2.gz IGCLEPVMKKDCNB-ZDUSSCGKSA-N 1 1 309.385 3.353 20 5 DGBDMO CC(C)(C)C[N@@H+](CCCO)CCCOc1ccc([N+](=O)[O-])cc1 ZINC001559530984 1189213945 /nfs/dbraw/zinc/21/39/45/1189213945.db2.gz IRABWJWNATWPTB-UHFFFAOYSA-N 1 1 324.421 3.094 20 5 DGBDMO CC[C@@H]1CC[C@H](C)[N@@H+](CCOc2ccc(OC)cc2[N+](=O)[O-])C1 ZINC001559836140 1189247650 /nfs/dbraw/zinc/24/76/50/1189247650.db2.gz HUOWPIAIYVNXBF-UONOGXRCSA-N 1 1 322.405 3.493 20 5 DGBDMO O=[N+]([O-])c1ccc2c(c1)C[N@@H+](Cc1ccc3nccnc3c1)CC2 ZINC001560696768 1189362599 /nfs/dbraw/zinc/36/25/99/1189362599.db2.gz AVDBZJOWGGFYQX-UHFFFAOYSA-N 1 1 320.352 3.096 20 5 DGBDMO O=[N+]([O-])c1ccc2c(c1)C[N@H+](Cc1ccc3nccnc3c1)CC2 ZINC001560696768 1189362603 /nfs/dbraw/zinc/36/26/03/1189362603.db2.gz AVDBZJOWGGFYQX-UHFFFAOYSA-N 1 1 320.352 3.096 20 5 DGBDMO COc1c(O)ccc(C[N@@H+](C)C[C@@H](C)C(C)(C)C)c1[N+](=O)[O-] ZINC001560999250 1189417975 /nfs/dbraw/zinc/41/79/75/1189417975.db2.gz QCENQHIGEPCHHF-LLVKDONJSA-N 1 1 310.394 3.423 20 5 DGBDMO CC[N@H+]1CCCC[C@H]1CNc1ccc([N+](=O)[O-])c(OC(C)C)n1 ZINC001639463185 1194767484 /nfs/dbraw/zinc/76/74/84/1194767484.db2.gz CNHKXCOZSXWYQZ-ZDUSSCGKSA-N 1 1 322.409 3.063 20 5 DGBDMO O=[N+]([O-])c1c(NCC[N@@H+]2CC=CCC2)cccc1C(F)(F)F ZINC001639862631 1194785197 /nfs/dbraw/zinc/78/51/97/1194785197.db2.gz PZKRGKIWHBHZCL-UHFFFAOYSA-N 1 1 315.295 3.287 20 5 DGBDMO Cc1cc(N2CC([N@@H+](C)Cc3ccccc3)C2)ccc1[N+](=O)[O-] ZINC001639901659 1194786887 /nfs/dbraw/zinc/78/68/87/1194786887.db2.gz GBERZUUJFZBVIE-UHFFFAOYSA-N 1 1 311.385 3.224 20 5 DGBDMO CC(C)[N@H+](C)C[C@H](C)Nc1nc2c(cc1[N+](=O)[O-])CCCC2 ZINC001642750254 1194935381 /nfs/dbraw/zinc/93/53/81/1194935381.db2.gz YLLTWBPJULWJNK-LBPRGKRZSA-N 1 1 306.410 3.009 20 5 DGBDMO C[N@H+]1CCCC[C@H]1CNc1ccc([N+](=O)[O-])c(OC(F)F)c1 ZINC001643274487 1195010342 /nfs/dbraw/zinc/01/03/42/1195010342.db2.gz FOXNAJBLXXTYLE-NSHDSACASA-N 1 1 315.320 3.092 20 5 DGBDMO O=[N+]([O-])c1cccc(OCC[N@H+]2C[C@@H]3C[C@]3(c3ccccc3)C2)c1 ZINC001644479502 1195111458 /nfs/dbraw/zinc/11/14/58/1195111458.db2.gz KIYCUQHWGBWUBH-QFBILLFUSA-N 1 1 324.380 3.247 20 5 DGBDMO COc1ccc([N+](=O)[O-])cc1C[N@@H+](C)[C@@H]1C[C@](C)(OC)C1(C)C ZINC001644690338 1195127303 /nfs/dbraw/zinc/12/73/03/1195127303.db2.gz BGCHBCBOHUTIQA-WBVHZDCISA-N 1 1 322.405 3.239 20 5 DGBDMO O=[N+]([O-])CC[N@@H+]1CC=C(c2ccc(Cl)c(Cl)c2)CC1 ZINC001645244108 1195168547 /nfs/dbraw/zinc/16/85/47/1195168547.db2.gz RRHDVOYEKDCJIR-UHFFFAOYSA-N 1 1 301.173 3.359 20 5 DGBDMO O=[N+]([O-])CC[N@H+]1CC=C(c2ccc(Cl)c(Cl)c2)CC1 ZINC001645244108 1195168543 /nfs/dbraw/zinc/16/85/43/1195168543.db2.gz RRHDVOYEKDCJIR-UHFFFAOYSA-N 1 1 301.173 3.359 20 5 DGBDMO C[C@H]1COC2(CCCC2)C[N@H+]1CCOc1ccc([N+](=O)[O-])cc1 ZINC001647854581 1195259786 /nfs/dbraw/zinc/25/97/86/1195259786.db2.gz NWYBKFKGLYRTOS-AWEZNQCLSA-N 1 1 320.389 3.007 20 5 DGBDMO Cc1ncc([N+](=O)[O-])n1CC[N@H+]1CC[C@@]1(C)C1CCCCC1 ZINC001648139946 1195278828 /nfs/dbraw/zinc/27/88/28/1195278828.db2.gz UNIZMSVHSFBZGS-INIZCTEOSA-N 1 1 306.410 3.144 20 5 DGBDMO Cc1c(C[N@H+]2C[C@@H]3C[C@H]2CN3c2ccccc2)cccc1[N+](=O)[O-] ZINC001648165527 1195280712 /nfs/dbraw/zinc/28/07/12/1195280712.db2.gz UKGUNVPSUXEBIG-ROUUACIJSA-N 1 1 323.396 3.366 20 5 DGBDMO CC1(C)CCC[N@H+]1CCNc1nc2ccc([N+](=O)[O-])cc2s1 ZINC001651138147 1195418776 /nfs/dbraw/zinc/41/87/76/1195418776.db2.gz MHFREJKJHFYNNX-UHFFFAOYSA-N 1 1 320.418 3.491 20 5 DGBDMO CCc1nc(NC[C@@H](C)c2ccccc2[N+](=O)[O-])cc(C)[nH+]1 ZINC001651466246 1195466683 /nfs/dbraw/zinc/46/66/83/1195466683.db2.gz YAYCIAJDOOBMIV-LLVKDONJSA-N 1 1 300.362 3.471 20 5 DGBDMO Cc1cc(N[C@@H]2CC[N@@H+](C)[C@H]2C)c([N+](=O)[O-])cc1C(F)(F)F ZINC001652248640 1195568638 /nfs/dbraw/zinc/56/86/38/1195568638.db2.gz KANNNLIGOIGDLQ-GXSJLCMTSA-N 1 1 317.311 3.427 20 5 DGBDMO Cc1cc(N[C@@H]2CC[N@@H+](C)[C@@H]2C)c([N+](=O)[O-])cc1C(F)(F)F ZINC001652248642 1195568831 /nfs/dbraw/zinc/56/88/31/1195568831.db2.gz KANNNLIGOIGDLQ-MWLCHTKSSA-N 1 1 317.311 3.427 20 5 DGBDMO Cc1ccc(NCCNc2ccc3cnccc3c2[N+](=O)[O-])[nH+]c1 ZINC001652258223 1195571006 /nfs/dbraw/zinc/57/10/06/1195571006.db2.gz JQICRJFENGGPRS-UHFFFAOYSA-N 1 1 323.356 3.370 20 5 DGBDMO C[C@H](C[NH2+]Cc1ccc(O)c(F)c1F)c1ccccc1[N+](=O)[O-] ZINC001653171926 1195694549 /nfs/dbraw/zinc/69/45/49/1195694549.db2.gz RLOYDOYZMWAGAM-SNVBAGLBSA-N 1 1 322.311 3.472 20 5 DGBDMO Cc1cccc([N+](=O)[O-])c1NC(=O)C[N@H+](C)C[C@H](C)C(C)(C)C ZINC001654731397 1195834159 /nfs/dbraw/zinc/83/41/59/1195834159.db2.gz XPNMDZPSLDBKAN-ZDUSSCGKSA-N 1 1 321.421 3.456 20 5 DGBDMO COc1cc([N+](=O)[O-])ccc1C[N@H+]1C[C@H]2C[C@@]2(c2ccccc2)C1 ZINC001655571906 1195934237 /nfs/dbraw/zinc/93/42/37/1195934237.db2.gz DKMIOBQZJGKWMC-APWZRJJASA-N 1 1 324.380 3.377 20 5 DGBDMO Cc1ccccc1[C@@H](CO)[N@@H+](C)Cc1cccc([N+](=O)[O-])c1C ZINC001655599348 1195938107 /nfs/dbraw/zinc/93/81/07/1195938107.db2.gz RRLKTSBAGQMMLK-GOSISDBHSA-N 1 1 314.385 3.377 20 5 DGBDMO O=[N+]([O-])c1ccc(C[N@@H+]2CCCC[C@@H]2[C@@H]2CCCO2)c(F)c1 ZINC001655877243 1195972517 /nfs/dbraw/zinc/97/25/17/1195972517.db2.gz IIHKPMVNYBNCGR-CVEARBPZSA-N 1 1 308.353 3.267 20 5 DGBDMO O=[N+]([O-])c1ccc(C[N@H+]2CCCC[C@@H]2[C@@H]2CCCO2)c(F)c1 ZINC001655877243 1195972523 /nfs/dbraw/zinc/97/25/23/1195972523.db2.gz IIHKPMVNYBNCGR-CVEARBPZSA-N 1 1 308.353 3.267 20 5 DGBDMO Cc1ccc(NCCNc2cc(C)c([N+](=O)[O-])cc2F)[nH+]c1 ZINC001655881872 1195973534 /nfs/dbraw/zinc/97/35/34/1195973534.db2.gz YXXMFCJPYORGRA-UHFFFAOYSA-N 1 1 304.325 3.270 20 5 DGBDMO CC[C@@H]([NH2+]Cc1cn2ccccc2n1)c1cccc([N+](=O)[O-])c1 ZINC001655934284 1195979195 /nfs/dbraw/zinc/97/91/95/1195979195.db2.gz KJDCTANRFKJKNZ-MRXNPFEDSA-N 1 1 310.357 3.483 20 5 DGBDMO CCOc1cc(C[N@H+]2CCCC[C@@]23CCOC3)ccc1[N+](=O)[O-] ZINC001656550080 1196049086 /nfs/dbraw/zinc/04/90/86/1196049086.db2.gz ZNIGEZNGWZAEAK-KRWDZBQOSA-N 1 1 320.389 3.139 20 5 DGBDMO Cc1c(CN[C@@H](C)C[NH+]2CCC(C)CC2)cccc1[N+](=O)[O-] ZINC001656626065 1196055758 /nfs/dbraw/zinc/05/57/58/1196055758.db2.gz MOURNRTVOYVCBF-AWEZNQCLSA-N 1 1 305.422 3.113 20 5 DGBDMO CC[C@@]1(C)CCC[N@@H+](Cc2ccc(O)c(OC)c2[N+](=O)[O-])C1 ZINC001657251916 1196123464 /nfs/dbraw/zinc/12/34/64/1196123464.db2.gz ALBVHZHQQCXLTD-INIZCTEOSA-N 1 1 308.378 3.321 20 5 DGBDMO CC[C@H]1CC[N@@H+](CCC(=O)Nc2ccc([N+](=O)[O-])cc2)[C@H]1C ZINC001658340942 1196244270 /nfs/dbraw/zinc/24/42/70/1196244270.db2.gz HDHLECLTQZFDDQ-STQMWFEESA-N 1 1 305.378 3.044 20 5 DGBDMO Cc1ccc([N+](=O)[O-])c(C)c1C[N@H+]1CCCO[C@H](C(C)C)C1 ZINC001659324298 1196371457 /nfs/dbraw/zinc/37/14/57/1196371457.db2.gz CUNGUHKWFVUCHI-KRWDZBQOSA-N 1 1 306.406 3.459 20 5 DGBDMO CCn1cnc(Cl)c1C[NH2+]C(C)(C)c1ccc([N+](=O)[O-])cc1 ZINC001659369392 1196375593 /nfs/dbraw/zinc/37/55/93/1196375593.db2.gz GWOSPJVJWOFJKZ-UHFFFAOYSA-N 1 1 322.796 3.490 20 5 DGBDMO CC1(C)CC[C@H](CO)[N@H+](Cc2cc([N+](=O)[O-])ccc2Cl)C1 ZINC001659544164 1196394319 /nfs/dbraw/zinc/39/43/19/1196394319.db2.gz JQDUUJOSDLNUMY-CYBMUJFWSA-N 1 1 312.797 3.231 20 5 DGBDMO CC1(C)CC[C@H](CO)[N@@H+](Cc2cc([N+](=O)[O-])ccc2Cl)C1 ZINC001659544164 1196394324 /nfs/dbraw/zinc/39/43/24/1196394324.db2.gz JQDUUJOSDLNUMY-CYBMUJFWSA-N 1 1 312.797 3.231 20 5 DGBDMO C[N@@H+](CCc1ccccc1[N+](=O)[O-])Cc1cnc2ccccc2n1 ZINC001659763027 1196412172 /nfs/dbraw/zinc/41/21/72/1196412172.db2.gz UHRZYWKOEBXFPY-UHFFFAOYSA-N 1 1 322.368 3.213 20 5 DGBDMO CC1(C)CC[N@H+](CCNCc2ccc([N+](=O)[O-])c(Cl)c2)C1 ZINC001660195294 1196456265 /nfs/dbraw/zinc/45/62/65/1196456265.db2.gz ZVWXDEGFNFFIID-UHFFFAOYSA-N 1 1 311.813 3.070 20 5 DGBDMO CC1(C)CC[N@@H+](CCNCc2ccc([N+](=O)[O-])c(Cl)c2)C1 ZINC001660195294 1196456268 /nfs/dbraw/zinc/45/62/68/1196456268.db2.gz ZVWXDEGFNFFIID-UHFFFAOYSA-N 1 1 311.813 3.070 20 5 DGBDMO COc1ccc(C[N@H+]2CCCC[C@]23CCCOC3)cc1[N+](=O)[O-] ZINC001660701138 1196514673 /nfs/dbraw/zinc/51/46/73/1196514673.db2.gz RKMIWLIQATUVIH-QGZVFWFLSA-N 1 1 320.389 3.139 20 5 DGBDMO C[N@H+]1CCC[C@@H](Oc2ccc(C(F)(F)F)cc2[N+](=O)[O-])C1 ZINC000248101006 1203794758 /nfs/dbraw/zinc/79/47/58/1203794758.db2.gz DWGWZXGBJZUGAJ-SNVBAGLBSA-N 1 1 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CC[C@H]1COCC[N@@H+]1Cc1ccc2ccc3cccnc3c2n1 ZINC001232223951 1097973762 /nfs/dbraw/zinc/97/37/62/1097973762.db2.gz WOZIOWYMFLEUGM-KRWDZBQOSA-N 1 1 307.397 3.394 20 5 DGBDMO CC[C@H]1COCC[N@H+]1Cc1ccc2ccc3cccnc3c2n1 ZINC001232223951 1097973766 /nfs/dbraw/zinc/97/37/66/1097973766.db2.gz WOZIOWYMFLEUGM-KRWDZBQOSA-N 1 1 307.397 3.394 20 5 DGBDMO c1cnc2c(c1)ccc1ccc(C[N@@H+]3CCOC4(CC4)C3)nc12 ZINC001232227627 1097974519 /nfs/dbraw/zinc/97/45/19/1097974519.db2.gz JRKWTZFEPWSJPT-UHFFFAOYSA-N 1 1 305.381 3.148 20 5 DGBDMO c1cnc2c(c1)ccc1ccc(C[N@H+]3CCOC4(CC4)C3)nc12 ZINC001232227627 1097974523 /nfs/dbraw/zinc/97/45/23/1097974523.db2.gz JRKWTZFEPWSJPT-UHFFFAOYSA-N 1 1 305.381 3.148 20 5 DGBDMO CC(=O)c1cc(O[C@H]2CCC[N@H+](C(C)C)C2)ccc1[N+](=O)[O-] ZINC001233502404 1098354849 /nfs/dbraw/zinc/35/48/49/1098354849.db2.gz PJOSFWQFVXOVOZ-AWEZNQCLSA-N 1 1 306.362 3.049 20 5 DGBDMO Cc1ccnc([N+](=O)[O-])c1O[C@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2C(C)C ZINC001233555530 1098375953 /nfs/dbraw/zinc/37/59/53/1098375953.db2.gz IBXKRGURSLOXDP-WDNDVIMCSA-N 1 1 305.378 3.081 20 5 DGBDMO O=C(C[N@@H+]1CC=CC12CCCCC2)Nc1ccccc1[N+](=O)[O-] ZINC001176995328 1098461340 /nfs/dbraw/zinc/46/13/40/1098461340.db2.gz JZABZJBQBFPJBM-UHFFFAOYSA-N 1 1 315.373 3.108 20 5 DGBDMO O=C(C[N@H+]1CC=CC12CCCCC2)Nc1ccccc1[N+](=O)[O-] ZINC001176995328 1098461342 /nfs/dbraw/zinc/46/13/42/1098461342.db2.gz JZABZJBQBFPJBM-UHFFFAOYSA-N 1 1 315.373 3.108 20 5 DGBDMO CCC[C@@]1(COC)CCC[N@H+]1CCOc1ccc([N+](=O)[O-])cc1 ZINC001193871959 1100833223 /nfs/dbraw/zinc/83/32/23/1100833223.db2.gz LYLBJYXRYLONLT-KRWDZBQOSA-N 1 1 322.405 3.255 20 5 DGBDMO C[C@@H]1C[N@@H+](CCOc2cccc([N+](=O)[O-])c2)CC2(CCCC2)O1 ZINC001195799832 1101204192 /nfs/dbraw/zinc/20/41/92/1101204192.db2.gz XNAREESZBTUTEJ-CQSZACIVSA-N 1 1 320.389 3.007 20 5 DGBDMO O=[N+]([O-])c1ccccc1-c1nnc(C[N@@H+]2C[C@H]3CCCC[C@H]32)o1 ZINC001195833979 1101210634 /nfs/dbraw/zinc/21/06/34/1101210634.db2.gz ICTJLLTVWAULLV-DGCLKSJQSA-N 1 1 314.345 3.019 20 5 DGBDMO O=[N+]([O-])c1ccccc1-c1nnc(C[N@H+]2C[C@H]3CCCC[C@H]32)o1 ZINC001195833979 1101210642 /nfs/dbraw/zinc/21/06/42/1101210642.db2.gz ICTJLLTVWAULLV-DGCLKSJQSA-N 1 1 314.345 3.019 20 5 DGBDMO O=[N+]([O-])c1ccccc1OCC[N@H+]1CCCC[C@@H]1[C@@H]1CCCO1 ZINC001198685186 1101957703 /nfs/dbraw/zinc/95/77/03/1101957703.db2.gz HXKIBZCVUNVVGS-ZBFHGGJFSA-N 1 1 320.389 3.007 20 5 DGBDMO C[C@H](NCCC1CC[NH+](C)CC1)c1c(F)cccc1[N+](=O)[O-] ZINC001329643403 1104358387 /nfs/dbraw/zinc/35/83/87/1104358387.db2.gz OEMAXGMWIJGANF-LBPRGKRZSA-N 1 1 309.385 3.116 20 5 DGBDMO Cc1ccccc1-c1noc([C@H]([NH3+])Cc2cccc([N+](=O)[O-])c2)n1 ZINC001248208878 1105069194 /nfs/dbraw/zinc/06/91/94/1105069194.db2.gz NEMZNYIBULBVOW-OAHLLOKOSA-N 1 1 324.340 3.196 20 5 DGBDMO C[C@H](Cc1ccccc1[N+](=O)[O-])[N@@H+](CCO)Cc1ccccc1 ZINC001254550080 1106101248 /nfs/dbraw/zinc/10/12/48/1106101248.db2.gz CJQRPYBGELGCDY-OAHLLOKOSA-N 1 1 314.385 3.020 20 5 DGBDMO C[C@H](Cc1ccccc1[N+](=O)[O-])[N@H+]1CCc2c(O)cccc2C1 ZINC001254551858 1106101642 /nfs/dbraw/zinc/10/16/42/1106101642.db2.gz GKTQYQOIPXEKKD-CYBMUJFWSA-N 1 1 312.369 3.290 20 5 DGBDMO CC(C)N1CC[C@@H]([NH2+][C@H](C)Cc2ccccc2[N+](=O)[O-])[C@@H](C)C1 ZINC001254550337 1106101840 /nfs/dbraw/zinc/10/18/40/1106101840.db2.gz HUWZARCSSSDCQK-ZMSDIMECSA-N 1 1 319.449 3.234 20 5 DGBDMO COCC[C@@H]1CCCC[N@H+]1[C@@H](C)Cc1ccccc1[N+](=O)[O-] ZINC001254561681 1106104443 /nfs/dbraw/zinc/10/44/43/1106104443.db2.gz IERXFWJSDHGIPK-HOCLYGCPSA-N 1 1 306.406 3.417 20 5 DGBDMO COC1C[C@H]2CC[C@@H](C1)[N@@H+]2[C@@H](C)Cc1ccccc1[N+](=O)[O-] ZINC001254565349 1106104796 /nfs/dbraw/zinc/10/47/96/1106104796.db2.gz OLLDQJWHAIZOKC-NTQSIJHJSA-N 1 1 304.390 3.168 20 5 DGBDMO CC1(C)CC([NH3+])CC(C)(C)N1[C@H]1Cc2ccc([N+](=O)[O-])cc2C1 ZINC001254581000 1106108242 /nfs/dbraw/zinc/10/82/42/1106108242.db2.gz HOWKRRAGROBUTE-INIZCTEOSA-N 1 1 317.433 3.042 20 5 DGBDMO O=[N+]([O-])c1ccc2c(c1)C[C@@H]([N@@H+]1C[C@@H]3CC(F)(F)C[C@@H]3C1)C2 ZINC001254593967 1106109754 /nfs/dbraw/zinc/10/97/54/1106109754.db2.gz OLIZCBKGDXXTHZ-GUTXKFCHSA-N 1 1 308.328 3.039 20 5 DGBDMO O=[N+]([O-])c1ccc2c(c1)C[C@H]([N@H+]1CCC[C@H]1c1ccccn1)C2 ZINC001254599005 1106110600 /nfs/dbraw/zinc/11/06/00/1106110600.db2.gz JEZMVANPPSKJPB-AEFFLSMTSA-N 1 1 309.369 3.294 20 5 DGBDMO COc1ccccc1C[N@@H+](C)[C@@H]1Cc2ccc([N+](=O)[O-])cc2C1 ZINC001254600461 1106110775 /nfs/dbraw/zinc/11/07/75/1106110775.db2.gz PXVUANPWONINKF-QGZVFWFLSA-N 1 1 312.369 3.203 20 5 DGBDMO C[C@H]1CC[N@H+]([C@H]2Cc3ccc([N+](=O)[O-])cc3C2)CCC1(F)F ZINC001254596713 1106110839 /nfs/dbraw/zinc/11/08/39/1106110839.db2.gz FLTRJKCXOOHOSM-NHYWBVRUSA-N 1 1 310.344 3.429 20 5 DGBDMO O=[N+]([O-])c1ccc2c(c1)C[C@H]([N@H+]1CCC[C@@H](C(F)(F)F)C1)C2 ZINC001254600936 1106111604 /nfs/dbraw/zinc/11/16/04/1106111604.db2.gz SLYKOYBLSGMRIW-TZMCWYRMSA-N 1 1 314.307 3.336 20 5 DGBDMO C[N@@H+](Cc1cccc(F)c1)[C@@H]1Cc2ccc([N+](=O)[O-])cc2C1 ZINC001254600666 1106111656 /nfs/dbraw/zinc/11/16/56/1106111656.db2.gz UTGSOXJUZPYRIL-QGZVFWFLSA-N 1 1 300.333 3.333 20 5 DGBDMO CC[C@@H](C)[N@@H+](C)C1CCN(c2ccc([N+](=O)[O-])c(OC)c2)CC1 ZINC001256097207 1106369085 /nfs/dbraw/zinc/36/90/85/1106369085.db2.gz XERMWJMFCUWXQM-CYBMUJFWSA-N 1 1 321.421 3.303 20 5 DGBDMO Cc1cc(NC(=O)c2ccc(C(C)C)c([N+](=O)[O-])c2)cc(C)[nH+]1 ZINC001321644898 1107402787 /nfs/dbraw/zinc/40/27/87/1107402787.db2.gz FWDJHHZGWOXYHN-UHFFFAOYSA-N 1 1 313.357 3.404 20 5 DGBDMO O=[N+]([O-])c1cnc(N[C@H]2CC[N@H+]3CCC[C@@H]3C2)c2ccccc21 ZINC001262058088 1107599077 /nfs/dbraw/zinc/59/90/77/1107599077.db2.gz NHMLXXBAKGNYTA-QWHCGFSZSA-N 1 1 312.373 3.182 20 5 DGBDMO CC[N@@H+](Cc1nc(-c2ccc([N+](=O)[O-])cc2)no1)C(C)(C)C ZINC001324438627 1108288304 /nfs/dbraw/zinc/28/83/04/1108288304.db2.gz QENYTHXWQMIDBE-UHFFFAOYSA-N 1 1 304.350 3.265 20 5 DGBDMO C[N@H+]1CC[C@H]1CNC(=O)c1c2ccccc2cc2ccccc21 ZINC001289119974 1110205696 /nfs/dbraw/zinc/20/56/96/1110205696.db2.gz TVMHEXJDVDSAST-INIZCTEOSA-N 1 1 304.393 3.427 20 5 DGBDMO CCC[C@H]1CCC[N@H+]([C@H](C)C(=O)Nc2ccc([N+](=O)[O-])cc2)C1 ZINC001307563497 1111314135 /nfs/dbraw/zinc/31/41/35/1111314135.db2.gz NLHNPTPWAVWLBI-KGLIPLIRSA-N 1 1 319.405 3.434 20 5 DGBDMO CCC1(CC)CCC[N@H+]1CC(=O)Nc1ccccc1[N+](=O)[O-] ZINC001308050070 1111371609 /nfs/dbraw/zinc/37/16/09/1111371609.db2.gz JASKPMFXDMBNRK-UHFFFAOYSA-N 1 1 305.378 3.188 20 5 DGBDMO Cc1ccc([N+](=O)[O-])cc1[C@H](C)[N@H+]1CC[C@@H](c2ncccn2)C1 ZINC001308115322 1111380217 /nfs/dbraw/zinc/38/02/17/1111380217.db2.gz UUUSVFMISUMZLB-UONOGXRCSA-N 1 1 312.373 3.244 20 5 DGBDMO COC[C@H]1CCCC[N@@H+](Cc2c(C)ccc([N+](=O)[O-])c2C)C1 ZINC001308664859 1111457516 /nfs/dbraw/zinc/45/75/16/1111457516.db2.gz BFOBSJASZPXUHU-HNNXBMFYSA-N 1 1 306.406 3.460 20 5 DGBDMO Cc1ccc(CC[NH+]2CC(Oc3ccc([N+](=O)[O-])cc3)C2)cc1 ZINC001308809503 1111478031 /nfs/dbraw/zinc/47/80/31/1111478031.db2.gz LMNCMQKKAQYNBB-UHFFFAOYSA-N 1 1 312.369 3.209 20 5 DGBDMO COC[C@@H]([NH2+]Cc1ccc([N+](=O)[O-])c(F)c1)c1ccccc1 ZINC000278541206 214223763 /nfs/dbraw/zinc/22/37/63/214223763.db2.gz GLCNNSICRXQLDA-OAHLLOKOSA-N 1 1 304.321 3.211 20 5 DGBDMO CC[C@H](CO)[N@@H+](C)Cc1ccc(-c2cccc([N+](=O)[O-])c2)o1 ZINC000294677615 529382251 /nfs/dbraw/zinc/38/22/51/529382251.db2.gz AYXBYHLDZFFSMG-CYBMUJFWSA-N 1 1 304.346 3.058 20 5 DGBDMO C[C@@H]1CCC[N@@H+](Cc2nc(-c3cccc([N+](=O)[O-])c3)no2)CC1 ZINC000063302502 432004728 /nfs/dbraw/zinc/00/47/28/432004728.db2.gz JOFGSGZPHBALDH-GFCCVEGCSA-N 1 1 316.361 3.267 20 5 DGBDMO CC(C)[N@@H+](C)CCNc1cc(Br)ccc1[N+](=O)[O-] ZINC000087834498 185232736 /nfs/dbraw/zinc/23/27/36/185232736.db2.gz PSCIVQOGGRABOP-UHFFFAOYSA-N 1 1 316.199 3.109 20 5 DGBDMO COC[C@H]([NH2+]Cc1cc([N+](=O)[O-])ccc1OC)c1ccccc1 ZINC000181644656 199331877 /nfs/dbraw/zinc/33/18/77/199331877.db2.gz NQPSNWKXSKDUNQ-INIZCTEOSA-N 1 1 316.357 3.081 20 5 DGBDMO C[N@@H+](CCCCNc1ccc2ncccc2c1[N+](=O)[O-])C1CC1 ZINC000413348061 529884303 /nfs/dbraw/zinc/88/43/03/529884303.db2.gz MZZXJRXUWWCGPJ-UHFFFAOYSA-N 1 1 314.389 3.429 20 5 DGBDMO C[N@@H+](CCSc1ccc([N+](=O)[O-])cn1)Cc1ccc(F)cc1 ZINC000185696847 529929180 /nfs/dbraw/zinc/92/91/80/529929180.db2.gz MAALSXYOAZWXNG-UHFFFAOYSA-N 1 1 321.377 3.353 20 5 DGBDMO C[C@@H](Nc1ccc([N+](=O)[O-])c2cnccc12)C1=CC[N@@H+](C)CC1 ZINC000272749458 210153590 /nfs/dbraw/zinc/15/35/90/210153590.db2.gz DUQLUXRKQHHKED-GFCCVEGCSA-N 1 1 312.373 3.205 20 5 DGBDMO C[N@H+]1CCC[C@H](CCNc2ccc([N+](=O)[O-])c3cccnc23)C1 ZINC000413448777 530061029 /nfs/dbraw/zinc/06/10/29/530061029.db2.gz WVOWCWYDRWSXGG-CYBMUJFWSA-N 1 1 314.389 3.287 20 5 DGBDMO C[C@H](O)C[C@@H]1CCCC[N@H+]1Cc1ccc(Cl)c([N+](=O)[O-])c1 ZINC000279818876 215173065 /nfs/dbraw/zinc/17/30/65/215173065.db2.gz QIZAQWPDDDJZOW-AAEUAGOBSA-N 1 1 312.797 3.374 20 5 DGBDMO CS[C@H]1CC[N@@H+](Cc2cc([N+](=O)[O-])ccc2OC(C)C)C1 ZINC000331302312 233003288 /nfs/dbraw/zinc/00/32/88/233003288.db2.gz FDRIPGXZOKVHIO-AWEZNQCLSA-N 1 1 310.419 3.319 20 5 DGBDMO CC[C@H](C)C[N@@H+](C)CC(=O)Nc1ccc([N+](=O)[O-])cc1Cl ZINC000171950494 198013430 /nfs/dbraw/zinc/01/34/30/198013430.db2.gz WHUJDDZLDQGOEA-JTQLQIEISA-N 1 1 313.785 3.165 20 5 DGBDMO Cc1cc([N+](=O)[O-])ccc1NC(=O)C[NH+]1CCC(C(C)C)CC1 ZINC000072717326 191220784 /nfs/dbraw/zinc/22/07/84/191220784.db2.gz BDYDCGOVHHJRGW-UHFFFAOYSA-N 1 1 319.405 3.210 20 5 DGBDMO C[C@@H]1C[C@@H](c2cccc(F)c2)[N@@H+](CCn2cc([N+](=O)[O-])cn2)C1 ZINC000174877121 198396072 /nfs/dbraw/zinc/39/60/72/198396072.db2.gz XNMXXSRCNWWPPL-WBMJQRKESA-N 1 1 318.352 3.014 20 5 DGBDMO Cc1ccc([N+](=O)[O-])cc1[C@H](C)N[C@H]1C[C@H](C)[N@@H+](C2CC2)C1 ZINC000166280420 432059808 /nfs/dbraw/zinc/05/98/08/432059808.db2.gz XMLWLPXJWVTFPM-IHRRRGAJSA-N 1 1 303.406 3.179 20 5 DGBDMO Cc1ccc([N+](=O)[O-])cc1[C@H](C)N[C@H]1C[C@H](C)[N@H+](C2CC2)C1 ZINC000166280420 432059810 /nfs/dbraw/zinc/05/98/10/432059810.db2.gz XMLWLPXJWVTFPM-IHRRRGAJSA-N 1 1 303.406 3.179 20 5 DGBDMO CCOC[C@@H]1CCC[N@@H+](Cc2ccc([N+](=O)[O-])c(OCC)c2)C1 ZINC000276838609 213124990 /nfs/dbraw/zinc/12/49/90/213124990.db2.gz BYYRYDKQJIQETE-OAHLLOKOSA-N 1 1 322.405 3.242 20 5 DGBDMO C[N@H+](Cc1ccc(-n2ccnc2)cc1)Cc1ccccc1[N+](=O)[O-] ZINC000170643293 432075609 /nfs/dbraw/zinc/07/56/09/432075609.db2.gz YTJGXCQEUTVJLF-UHFFFAOYSA-N 1 1 322.368 3.413 20 5 DGBDMO C[N@@H+](Cc1ccc(-n2ccnc2)cc1)Cc1ccccc1[N+](=O)[O-] ZINC000170643293 432075612 /nfs/dbraw/zinc/07/56/12/432075612.db2.gz YTJGXCQEUTVJLF-UHFFFAOYSA-N 1 1 322.368 3.413 20 5 DGBDMO O=[N+]([O-])c1ccccc1OCC[N@@H+](Cc1ccccn1)C1CC1 ZINC000180872628 199222396 /nfs/dbraw/zinc/22/23/96/199222396.db2.gz LTTFUFPFGVCZOI-UHFFFAOYSA-N 1 1 313.357 3.033 20 5 DGBDMO CS[C@@H]1CCCC[N@@H+](Cc2nc3cc([N+](=O)[O-])ccc3o2)C1 ZINC000134600556 432080720 /nfs/dbraw/zinc/08/07/20/432080720.db2.gz SOPLHCFSEUDGQT-GFCCVEGCSA-N 1 1 321.402 3.454 20 5 DGBDMO CS[C@H]1CCCC[N@@H+](Cc2nc3cc([N+](=O)[O-])ccc3o2)C1 ZINC000134600575 432081363 /nfs/dbraw/zinc/08/13/63/432081363.db2.gz SOPLHCFSEUDGQT-LBPRGKRZSA-N 1 1 321.402 3.454 20 5 DGBDMO Cc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@@H+]1CCCC[C@H](C)C1 ZINC000187981702 200185856 /nfs/dbraw/zinc/18/58/56/200185856.db2.gz NYENOTZJLGEYBF-ZDUSSCGKSA-N 1 1 319.405 3.354 20 5 DGBDMO C[C@H]1CC[C@@H]([N@@H+](C)Cc2nc(-c3cccc([N+](=O)[O-])c3)no2)C1 ZINC000429568704 238055197 /nfs/dbraw/zinc/05/51/97/238055197.db2.gz OWKPTSUTFMEHRX-WCQYABFASA-N 1 1 316.361 3.265 20 5 DGBDMO O=[N+]([O-])c1cc(F)c(NC[C@H]2CCCC[N@H+]2C2CC2)c(F)c1 ZINC000433819932 238169559 /nfs/dbraw/zinc/16/95/59/238169559.db2.gz LFESKZOZNVFFGE-LLVKDONJSA-N 1 1 311.332 3.302 20 5 DGBDMO COc1ccc(OCC[N@@H+](CC(C)C)C(C)C)c([N+](=O)[O-])c1 ZINC000434625573 238221118 /nfs/dbraw/zinc/22/11/18/238221118.db2.gz VDQLYYJDKOLFTR-UHFFFAOYSA-N 1 1 310.394 3.349 20 5 DGBDMO O=[N+]([O-])c1ccc(CNC[C@H]2CCCC[N@H+]2C2CC2)c(Cl)c1 ZINC000434797632 238246878 /nfs/dbraw/zinc/24/68/78/238246878.db2.gz ZMUVLCFWYOWKJC-OAHLLOKOSA-N 1 1 323.824 3.355 20 5 DGBDMO O=[N+]([O-])c1ccc(C[NH2+]C[C@H]2CCCCN2C2CC2)c(Cl)c1 ZINC000434797632 238246882 /nfs/dbraw/zinc/24/68/82/238246882.db2.gz ZMUVLCFWYOWKJC-OAHLLOKOSA-N 1 1 323.824 3.355 20 5 DGBDMO Cc1cc([N+](=O)[O-])ccc1NC(=O)C[N@@H+]1CCC[C@H]1CC(C)C ZINC000435676953 238335166 /nfs/dbraw/zinc/33/51/66/238335166.db2.gz AGKOXXNHMBRVMQ-AWEZNQCLSA-N 1 1 319.405 3.352 20 5 DGBDMO COc1ccc(OCC[N@H+]2CCC[C@@H]3CCC[C@H]32)c([N+](=O)[O-])c1 ZINC000441451910 239055787 /nfs/dbraw/zinc/05/57/87/239055787.db2.gz OJXSABLYARKABQ-DZGCQCFKSA-N 1 1 320.389 3.247 20 5 DGBDMO C[C@@H]1C[N@@H+](Cc2nc3cc([N+](=O)[O-])ccc3[nH]2)[C@H]2CCCC[C@@H]12 ZINC000444684373 239324490 /nfs/dbraw/zinc/32/44/90/239324490.db2.gz MDGLHYFJBKFJFG-FFSVYQOJSA-N 1 1 314.389 3.482 20 5 DGBDMO Cc1cccc([N+](=O)[O-])c1NC(=O)C[N@H+]1CCC[C@@H](C(C)C)C1 ZINC000444772595 239348772 /nfs/dbraw/zinc/34/87/72/239348772.db2.gz WFLWOPIMAUENMI-CQSZACIVSA-N 1 1 319.405 3.210 20 5 DGBDMO Cc1cccc([N+](=O)[O-])c1NC(=O)C[N@@H+]1CCC[C@@H](C(C)C)C1 ZINC000444772595 239348780 /nfs/dbraw/zinc/34/87/80/239348780.db2.gz WFLWOPIMAUENMI-CQSZACIVSA-N 1 1 319.405 3.210 20 5 DGBDMO Cc1ncc(C[N@H+]2CCC[C@@H](c3ccc([N+](=O)[O-])cc3)C2)cn1 ZINC000449494914 240246846 /nfs/dbraw/zinc/24/68/46/240246846.db2.gz 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CCO[C@@H]1CC[N@H+](Cc2ccc(Cl)cc2[N+](=O)[O-])C[C@H]1C ZINC000451552263 241172598 /nfs/dbraw/zinc/17/25/98/241172598.db2.gz YMQIGXCZLHYKEW-IAQYHMDHSA-N 1 1 312.797 3.495 20 5 DGBDMO CCO[C@@H]1CC[N@@H+](Cc2ccc(Cl)cc2[N+](=O)[O-])C[C@H]1C ZINC000451552263 241172606 /nfs/dbraw/zinc/17/26/06/241172606.db2.gz YMQIGXCZLHYKEW-IAQYHMDHSA-N 1 1 312.797 3.495 20 5 DGBDMO O=[N+]([O-])c1cc(Cl)ccc1C[N@H+]1CC[C@@H]2C[C@@H](O)CC[C@@H]2C1 ZINC000451706206 241213608 /nfs/dbraw/zinc/21/36/08/241213608.db2.gz LTWYLHWPNWBKCR-JMSVASOKSA-N 1 1 324.808 3.231 20 5 DGBDMO C[C@H]1CCC(C)(C)[N@H+]1Cc1nc(-c2cccc([N+](=O)[O-])c2)no1 ZINC000452015344 241300233 /nfs/dbraw/zinc/30/02/33/241300233.db2.gz VAEFYGVWNIOZTF-NSHDSACASA-N 1 1 316.361 3.408 20 5 DGBDMO O=[N+]([O-])c1ccc2c(c1)C[N@H+](CC1=Cc3ccccc3OC1)CC2 ZINC000093338320 284011071 /nfs/dbraw/zinc/01/10/71/284011071.db2.gz LPUMHYTWIWTLSP-UHFFFAOYSA-N 1 1 322.364 3.429 20 5 DGBDMO O=[N+]([O-])c1cccc(F)c1C[N@@H+]1CC[C@H](Nc2ccccc2)C1 ZINC000103480825 284031703 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305.765 3.318 20 5 DGBDMO O=[N+]([O-])c1ccc(Cl)c(C[N@@H+]2CCC[C@@H](c3ncc[nH]3)C2)c1 ZINC000267382144 206025538 /nfs/dbraw/zinc/02/55/38/206025538.db2.gz AXSGZYRPGYMDAV-LLVKDONJSA-N 1 1 320.780 3.351 20 5 DGBDMO O=[N+]([O-])c1ccc(Cl)c(C[N@H+]2CCC[C@@H](c3ncc[nH]3)C2)c1 ZINC000267382144 206025542 /nfs/dbraw/zinc/02/55/42/206025542.db2.gz AXSGZYRPGYMDAV-LLVKDONJSA-N 1 1 320.780 3.351 20 5 DGBDMO O=[N+]([O-])c1ccc(Cl)cc1C[N@H+]1CCC[C@H](c2ncc[nH]2)C1 ZINC000267456775 206080664 /nfs/dbraw/zinc/08/06/64/206080664.db2.gz TYWFMBZIYUEVTJ-NSHDSACASA-N 1 1 320.780 3.351 20 5 DGBDMO C[C@H]1CCC[N@@H+](Cc2nc(-c3cccc([N+](=O)[O-])c3)no2)[C@H]1C ZINC000246480097 432135969 /nfs/dbraw/zinc/13/59/69/432135969.db2.gz ACFXWADBRUOYOQ-RYUDHWBXSA-N 1 1 316.361 3.265 20 5 DGBDMO O=[N+]([O-])c1ccc(Cl)c(C[N@@H+]2CCC[C@H]2[C@H]2CCCO2)c1 ZINC000284695785 218137346 /nfs/dbraw/zinc/13/73/46/218137346.db2.gz IFAPBQVEDKZTHQ-LSDHHAIUSA-N 1 1 310.781 3.392 20 5 DGBDMO O=[N+]([O-])c1ccc(Cl)c(C[N@H+]2CCC[C@H]2[C@H]2CCCO2)c1 ZINC000284695785 218137349 /nfs/dbraw/zinc/13/73/49/218137349.db2.gz IFAPBQVEDKZTHQ-LSDHHAIUSA-N 1 1 310.781 3.392 20 5 DGBDMO C[C@H](c1cccc(O)c1)[N@@H+](C)CCOc1cccc([N+](=O)[O-])c1 ZINC000109784874 194284366 /nfs/dbraw/zinc/28/43/66/194284366.db2.gz MEKPGJTZZJGVEK-CYBMUJFWSA-N 1 1 316.357 3.372 20 5 DGBDMO C[N@@H+](CCNc1ccc([N+](=O)[O-])c(C(F)(F)F)c1)C1CC1 ZINC000062010284 184201215 /nfs/dbraw/zinc/20/12/15/184201215.db2.gz HCOHQUJIMCYDTA-UHFFFAOYSA-N 1 1 303.284 3.120 20 5 DGBDMO Cc1c([C@@H](C)NC2CC[NH+](C3CC3)CC2)cccc1[N+](=O)[O-] ZINC000119683345 195017667 /nfs/dbraw/zinc/01/76/67/195017667.db2.gz MPMABYVQDMVLQC-CYBMUJFWSA-N 1 1 303.406 3.181 20 5 DGBDMO C[C@@H]1CC[N@@H+](Cc2ccc(-c3cccc([N+](=O)[O-])c3)o2)[C@H]1CO ZINC000249106532 285056230 /nfs/dbraw/zinc/05/62/30/285056230.db2.gz QOKWCGSMJHZUTK-WBMJQRKESA-N 1 1 316.357 3.058 20 5 DGBDMO O=[N+]([O-])c1cccc(Cl)c1C[N@@H+]1CCC[C@@H]1[C@@H]1CCC[C@H]1O ZINC000336860279 253011078 /nfs/dbraw/zinc/01/10/78/253011078.db2.gz PKHFOFZJNCERQB-SGIREYDYSA-N 1 1 324.808 3.374 20 5 DGBDMO CCC1(CC)CC[N@@H+](CCC(=O)Nc2ccccc2[N+](=O)[O-])C1 ZINC000337256919 253071582 /nfs/dbraw/zinc/07/15/82/253071582.db2.gz SUYBVRJYGKHMPD-UHFFFAOYSA-N 1 1 319.405 3.436 20 5 DGBDMO CC[C@@H]1C[C@@]1([NH2+]Cc1c([N+](=O)[O-])ncn1C)c1cccc(C)c1 ZINC000337425954 253113894 /nfs/dbraw/zinc/11/38/94/253113894.db2.gz SLPDIAQJIAZWGS-DYVFJYSZSA-N 1 1 314.389 3.052 20 5 DGBDMO COCc1cccc(C[N@@H+](C)CCc2cccc([N+](=O)[O-])c2)c1 ZINC000338343909 253269805 /nfs/dbraw/zinc/26/98/05/253269805.db2.gz CFSVOPYEUVPMFV-UHFFFAOYSA-N 1 1 314.385 3.416 20 5 DGBDMO C[N@@H+](CCOc1cccc([N+](=O)[O-])c1)Cc1cccc(F)c1 ZINC000338365583 253274146 /nfs/dbraw/zinc/27/41/46/253274146.db2.gz FPLRKNJYDVLTCJ-UHFFFAOYSA-N 1 1 304.321 3.245 20 5 DGBDMO O=[N+]([O-])c1cccc(Cl)c1C[N@@H+]1CC2(CCC2)[C@H]2COC[C@@H]21 ZINC000459773540 285153302 /nfs/dbraw/zinc/15/33/02/285153302.db2.gz PRBOCWKHOWGSED-WFASDCNBSA-N 1 1 322.792 3.249 20 5 DGBDMO O=[N+]([O-])c1cccc(Cl)c1C[N@H+]1CC2(CCC2)[C@H]2COC[C@@H]21 ZINC000459773540 285153306 /nfs/dbraw/zinc/15/33/06/285153306.db2.gz PRBOCWKHOWGSED-WFASDCNBSA-N 1 1 322.792 3.249 20 5 DGBDMO C[C@H](c1cccc(Cl)c1)[N@@H+](C)CCn1cc([N+](=O)[O-])cn1 ZINC000157730062 197211100 /nfs/dbraw/zinc/21/11/00/197211100.db2.gz RYBMYDOZZQLZBR-LLVKDONJSA-N 1 1 308.769 3.138 20 5 DGBDMO Cc1c(C[N@H+](C)[C@@H](CO)c2ccccc2)cccc1[N+](=O)[O-] ZINC000343116002 254101745 /nfs/dbraw/zinc/10/17/45/254101745.db2.gz DBXZDNBZTRHEHX-KRWDZBQOSA-N 1 1 300.358 3.069 20 5 DGBDMO O=[N+]([O-])c1ccsc1N1CCC[N@@H+](Cc2ccccc2)CC1 ZINC000301935391 285170345 /nfs/dbraw/zinc/17/03/45/285170345.db2.gz PFPRDIVPINLJPL-UHFFFAOYSA-N 1 1 317.414 3.369 20 5 DGBDMO CC[N@@H+](CCNc1c(F)cccc1[N+](=O)[O-])CCC(F)(F)F ZINC000343208461 254115013 /nfs/dbraw/zinc/11/50/13/254115013.db2.gz SHLUNRRMEPBZRO-UHFFFAOYSA-N 1 1 323.290 3.420 20 5 DGBDMO C[C@@H](C(=O)Nc1cccc([N+](=O)[O-])c1)[N@@H+](C)C[C@H]1CC=CCC1 ZINC000344032904 254216128 /nfs/dbraw/zinc/21/61/28/254216128.db2.gz FDONCBYYWKMERV-KBPBESRZSA-N 1 1 317.389 3.210 20 5 DGBDMO C[C@@H](C(=O)Nc1ccccc1[N+](=O)[O-])[N@@H+](C)C[C@@H]1CC=CCC1 ZINC000344061831 254219374 /nfs/dbraw/zinc/21/93/74/254219374.db2.gz MUORRQJMYLGXTL-UONOGXRCSA-N 1 1 317.389 3.210 20 5 DGBDMO C[C@@H](C(=O)Nc1ccccc1[N+](=O)[O-])[N@H+]1C[C@@H](C)CC(C)(C)C1 ZINC000344066167 254220151 /nfs/dbraw/zinc/22/01/51/254220151.db2.gz PTDZOSRBZPCUCG-STQMWFEESA-N 1 1 319.405 3.290 20 5 DGBDMO O=[N+]([O-])c1ccc2[nH]c(C[N@H+]3CCC[C@H](C4CC4)C3)nc2c1 ZINC000344093678 254224171 /nfs/dbraw/zinc/22/41/71/254224171.db2.gz KSXHHGQFHLXNRX-LBPRGKRZSA-N 1 1 300.362 3.093 20 5 DGBDMO CCC[C@]1(CO)CC[N@H+](Cc2c(Cl)cccc2[N+](=O)[O-])C1 ZINC000344242155 254243866 /nfs/dbraw/zinc/24/38/66/254243866.db2.gz FEQBFYDJWSRIPS-HNNXBMFYSA-N 1 1 312.797 3.233 20 5 DGBDMO CCC[C@]1(CO)CC[N@@H+](Cc2c(Cl)cccc2[N+](=O)[O-])C1 ZINC000344242155 254243867 /nfs/dbraw/zinc/24/38/67/254243867.db2.gz FEQBFYDJWSRIPS-HNNXBMFYSA-N 1 1 312.797 3.233 20 5 DGBDMO C[C@@H](C(=O)Nc1cccc([N+](=O)[O-])c1)[N@@H+](C)CC1CCCC1 ZINC000344242728 254243979 /nfs/dbraw/zinc/24/39/79/254243979.db2.gz OMECJJFDCQXXOI-LBPRGKRZSA-N 1 1 305.378 3.044 20 5 DGBDMO C[C@H](C(=O)Nc1ccc([N+](=O)[O-])cc1)[N@H+]1CCC[C@H](C2CC2)C1 ZINC000344001332 254211535 /nfs/dbraw/zinc/21/15/35/254211535.db2.gz YLUPZYRCPYNTCH-OCCSQVGLSA-N 1 1 317.389 3.044 20 5 DGBDMO Cc1ccn2cc(C[NH2+][C@@H](C)c3cccc([N+](=O)[O-])c3)nc2c1 ZINC000344021588 254213898 /nfs/dbraw/zinc/21/38/98/254213898.db2.gz PHZGKNJZWWDDCP-ZDUSSCGKSA-N 1 1 310.357 3.402 20 5 DGBDMO CC[N@@H+](Cc1cc([N+](=O)[O-])ccc1OC)[C@@H]1CCOC(C)(C)C1 ZINC000289844078 285243475 /nfs/dbraw/zinc/24/34/75/285243475.db2.gz PGNRNGAZCHYLOB-OAHLLOKOSA-N 1 1 322.405 3.383 20 5 DGBDMO Cc1nn(C(C)C)cc1C[N@@H+](C)CCc1ccccc1[N+](=O)[O-] ZINC000289556380 221065144 /nfs/dbraw/zinc/06/51/44/221065144.db2.gz RLAXYCOAOLOXPN-UHFFFAOYSA-N 1 1 316.405 3.355 20 5 DGBDMO C/C(=C/c1cccc([N+](=O)[O-])c1)C[N@@H+](C)C[C@@H]1CCCOC1 ZINC000470169328 533381577 /nfs/dbraw/zinc/38/15/77/533381577.db2.gz DJSOERQJUWSVHR-MBSJSRAVSA-N 1 1 304.390 3.357 20 5 DGBDMO C/C(=C/c1cccc([N+](=O)[O-])c1)CN(C)C[C@H]1CCC[N@H+](C)C1 ZINC000470169720 533381699 /nfs/dbraw/zinc/38/16/99/533381699.db2.gz IFJGDWHLZYVMCZ-MJSCBBHESA-N 1 1 317.433 3.272 20 5 DGBDMO C/C(=C/c1cccc([N+](=O)[O-])c1)CN(C)C[C@H]1CCC[N@@H+](C)C1 ZINC000470169720 533381703 /nfs/dbraw/zinc/38/17/03/533381703.db2.gz IFJGDWHLZYVMCZ-MJSCBBHESA-N 1 1 317.433 3.272 20 5 DGBDMO C/C(=C/c1cccc([N+](=O)[O-])c1)C[N@@H+](C)C[C@H]1CCCN(C)C1 ZINC000470169720 533381708 /nfs/dbraw/zinc/38/17/08/533381708.db2.gz IFJGDWHLZYVMCZ-MJSCBBHESA-N 1 1 317.433 3.272 20 5 DGBDMO C/C(=C/c1cccc([N+](=O)[O-])c1)C[N@H+](C)C[C@H]1CCCN(C)C1 ZINC000470169720 533381711 /nfs/dbraw/zinc/38/17/11/533381711.db2.gz IFJGDWHLZYVMCZ-MJSCBBHESA-N 1 1 317.433 3.272 20 5 DGBDMO C/C(=C/c1cccc([N+](=O)[O-])c1)C[NH2+]Cc1nn(C)cc1Cl ZINC000449481961 533384515 /nfs/dbraw/zinc/38/45/15/533384515.db2.gz WWXVLXAHJAJOSI-WDZFZDKYSA-N 1 1 320.780 3.175 20 5 DGBDMO C/C(=C\c1cccc([N+](=O)[O-])c1)C[N@H+](C)[C@H](C)c1cnn(C)c1 ZINC000470203260 533406543 /nfs/dbraw/zinc/40/65/43/533406543.db2.gz PMBTZDNZAVEMTE-MAUPQMMJSA-N 1 1 314.389 3.425 20 5 DGBDMO CCn1cc([C@H](C)[NH2+][C@H](C)c2ccc([N+](=O)[O-])cc2OC)cn1 ZINC000595051233 400090624 /nfs/dbraw/zinc/09/06/24/400090624.db2.gz LWOVMMPMJMUIDG-NWDGAFQWSA-N 1 1 318.377 3.232 20 5 DGBDMO CC(C)(C)[N@@H+]1CC[C@H](N[C@@H]2CCCc3ccc([N+](=O)[O-])cc32)C1 ZINC000595056402 400093515 /nfs/dbraw/zinc/09/35/15/400093515.db2.gz GYTLFXZAWNACAI-WMLDXEAASA-N 1 1 317.433 3.435 20 5 DGBDMO CC(C)(C)[N@H+]1CC[C@H](N[C@@H]2CCCc3ccc([N+](=O)[O-])cc32)C1 ZINC000595056402 400093520 /nfs/dbraw/zinc/09/35/20/400093520.db2.gz GYTLFXZAWNACAI-WMLDXEAASA-N 1 1 317.433 3.435 20 5 DGBDMO C[C@H]([NH2+][C@H]1CCCc2ccc([N+](=O)[O-])cc21)c1nccn1C ZINC000595109966 400109256 /nfs/dbraw/zinc/10/92/56/400109256.db2.gz XSTDKNPZUHVEBZ-NHYWBVRUSA-N 1 1 300.362 3.057 20 5 DGBDMO C[N@H+](CCOc1ccccc1F)Cc1ccc(F)cc1[N+](=O)[O-] ZINC000595290646 400119442 /nfs/dbraw/zinc/11/94/42/400119442.db2.gz XWGKPPADUNOIJM-UHFFFAOYSA-N 1 1 322.311 3.384 20 5 DGBDMO C[N@@H+](CCOc1ccccc1F)Cc1ccc(F)cc1[N+](=O)[O-] ZINC000595290646 400119448 /nfs/dbraw/zinc/11/94/48/400119448.db2.gz XWGKPPADUNOIJM-UHFFFAOYSA-N 1 1 322.311 3.384 20 5 DGBDMO O=[N+]([O-])c1ccc(OCCC[N@H+]2CCC[C@@H]2[C@H]2CCCO2)cc1 ZINC000285027341 400079228 /nfs/dbraw/zinc/07/92/28/400079228.db2.gz ZWSHDBADIJOPCY-IAGOWNOFSA-N 1 1 320.389 3.007 20 5 DGBDMO C[C@@H](c1ccccc1[N+](=O)[O-])N1CCC[C@@]2(CC[N@@H+](C)C2)C1 ZINC000595506972 400172383 /nfs/dbraw/zinc/17/23/83/400172383.db2.gz JIMDOWBTNZOGTE-YOEHRIQHSA-N 1 1 303.406 3.074 20 5 DGBDMO Cc1cc(N[C@H]2CC[N@@H+](C3CC3)C2)c2cc([N+](=O)[O-])ccc2n1 ZINC000322354115 400174354 /nfs/dbraw/zinc/17/43/54/400174354.db2.gz FIOONRHUVJSSIJ-LBPRGKRZSA-N 1 1 312.373 3.100 20 5 DGBDMO Cc1cc(N[C@H]2CC[N@H+](C3CC3)C2)c2cc([N+](=O)[O-])ccc2n1 ZINC000322354115 400174358 /nfs/dbraw/zinc/17/43/58/400174358.db2.gz FIOONRHUVJSSIJ-LBPRGKRZSA-N 1 1 312.373 3.100 20 5 DGBDMO C[C@@H](C(=O)Nc1cccc([N+](=O)[O-])c1)[N@H+](C)Cc1cccs1 ZINC000016586874 400176028 /nfs/dbraw/zinc/17/60/28/400176028.db2.gz DPCZENLNZKCBCN-NSHDSACASA-N 1 1 319.386 3.115 20 5 DGBDMO C[C@@H](C(=O)Nc1cccc([N+](=O)[O-])c1)[N@@H+](C)Cc1cccs1 ZINC000016586874 400176031 /nfs/dbraw/zinc/17/60/31/400176031.db2.gz DPCZENLNZKCBCN-NSHDSACASA-N 1 1 319.386 3.115 20 5 DGBDMO C[C@@H]1C[C@H]([N@H+]2CCC[C@H](c3ccc([N+](=O)[O-])cc3)C2)CCO1 ZINC000595525331 400177850 /nfs/dbraw/zinc/17/78/50/400177850.db2.gz RDAJKCOALTWWBT-UKPHBRMFSA-N 1 1 304.390 3.342 20 5 DGBDMO C[C@H]1CCCC[N@H+]1C[C@H]1CCCN(c2cccnc2[N+](=O)[O-])C1 ZINC000609613665 400181150 /nfs/dbraw/zinc/18/11/50/400181150.db2.gz HCWHKMVZYLQRDH-LSDHHAIUSA-N 1 1 318.421 3.081 20 5 DGBDMO Cc1noc(C[N@@H+]2CC[C@H](c3cccc(F)c3)C2)c1[N+](=O)[O-] ZINC000595301180 400121994 /nfs/dbraw/zinc/12/19/94/400121994.db2.gz YAAYNATZWSGPDW-LBPRGKRZSA-N 1 1 305.309 3.020 20 5 DGBDMO Cc1noc(C[N@H+]2CC[C@H](c3cccc(F)c3)C2)c1[N+](=O)[O-] ZINC000595301180 400122000 /nfs/dbraw/zinc/12/20/00/400122000.db2.gz YAAYNATZWSGPDW-LBPRGKRZSA-N 1 1 305.309 3.020 20 5 DGBDMO Cc1noc(C[N@H+](CCc2cccc(F)c2)C2CC2)c1[N+](=O)[O-] ZINC000595320804 400127060 /nfs/dbraw/zinc/12/70/60/400127060.db2.gz GHBZWBBQWWJQRJ-UHFFFAOYSA-N 1 1 319.336 3.237 20 5 DGBDMO Cc1noc(C[N@@H+](CCc2cccc(F)c2)C2CC2)c1[N+](=O)[O-] ZINC000595320804 400127065 /nfs/dbraw/zinc/12/70/65/400127065.db2.gz GHBZWBBQWWJQRJ-UHFFFAOYSA-N 1 1 319.336 3.237 20 5 DGBDMO O=[N+]([O-])c1cc(F)ccc1C[N@@H+]1CCOCC2(CCCC2)C1 ZINC000595440191 400150640 /nfs/dbraw/zinc/15/06/40/400150640.db2.gz CWQKNPUOGJIESP-UHFFFAOYSA-N 1 1 308.353 3.127 20 5 DGBDMO O=[N+]([O-])c1cc(F)ccc1C[N@H+]1CCOCC2(CCCC2)C1 ZINC000595440191 400150644 /nfs/dbraw/zinc/15/06/44/400150644.db2.gz CWQKNPUOGJIESP-UHFFFAOYSA-N 1 1 308.353 3.127 20 5 DGBDMO O=[N+]([O-])c1ccccc1/C=C/C[N@H+]1CCC[C@H](c2ncc[nH]2)C1 ZINC000092071710 400152108 /nfs/dbraw/zinc/15/21/08/400152108.db2.gz NILRWRHVABHAKL-VFQAQYNWSA-N 1 1 312.373 3.211 20 5 DGBDMO O=[N+]([O-])c1cc(F)ccc1C[N@H+]1CC[C@H](c2cccnc2)C1 ZINC000595561262 400187350 /nfs/dbraw/zinc/18/73/50/400187350.db2.gz DMCLWYIFTZJAMW-ZDUSSCGKSA-N 1 1 301.321 3.118 20 5 DGBDMO CC(C)Oc1ccc([N+](=O)[O-])cc1C[N@@H+](CCO)CC(C)(C)C ZINC000609317311 400159213 /nfs/dbraw/zinc/15/92/13/400159213.db2.gz TZMUOHTXKURNKV-UHFFFAOYSA-N 1 1 324.421 3.222 20 5 DGBDMO Cc1n[nH]cc1C1CC[NH+](Cc2ccc(F)cc2[N+](=O)[O-])CC1 ZINC000595478989 400163981 /nfs/dbraw/zinc/16/39/81/400163981.db2.gz YRJGCYKLGXUUGA-UHFFFAOYSA-N 1 1 318.352 3.145 20 5 DGBDMO Cc1cc([C@@H]2CCC[N@H+]2CCOc2ccc([N+](=O)[O-])cc2)on1 ZINC000067387183 400167247 /nfs/dbraw/zinc/16/72/47/400167247.db2.gz PTMNUSIXPQHSGW-HNNXBMFYSA-N 1 1 317.345 3.107 20 5 DGBDMO Cc1noc(C[N@H+]2CCC[C@H](c3ccccc3)C2)c1[N+](=O)[O-] ZINC000595503399 400170385 /nfs/dbraw/zinc/17/03/85/400170385.db2.gz UKILWXAFZFIKGY-AWEZNQCLSA-N 1 1 301.346 3.271 20 5 DGBDMO CN(CCC1CCOCC1)c1cc[nH+]c2ccc([N+](=O)[O-])cc21 ZINC000601129697 400243003 /nfs/dbraw/zinc/24/30/03/400243003.db2.gz WQMYAUONEGMASR-UHFFFAOYSA-N 1 1 315.373 3.396 20 5 DGBDMO Cc1noc(C[NH2+][C@@H]2C[C@@H](OC(C)(C)C)C23CCC3)c1[N+](=O)[O-] ZINC000595777831 400256827 /nfs/dbraw/zinc/25/68/27/400256827.db2.gz KNLVOLKFIQEZGG-CHWSQXEVSA-N 1 1 323.393 3.107 20 5 DGBDMO CCOc1ccc([N+](=O)[O-])cc1C[NH2+][C@@H]1C[C@H]1C(F)(F)F ZINC000601160069 400252089 /nfs/dbraw/zinc/25/20/89/400252089.db2.gz RDBHDMMDXUAIKC-GHMZBOCLSA-N 1 1 304.268 3.034 20 5 DGBDMO CC[N@@H+](CCOc1ccc(OC)cc1[N+](=O)[O-])Cc1ccoc1 ZINC000610368547 400252199 /nfs/dbraw/zinc/25/21/99/400252199.db2.gz KWQZOFZFSDSWQY-UHFFFAOYSA-N 1 1 320.345 3.097 20 5 DGBDMO C[C@H](c1ccccc1[N+](=O)[O-])[N@H+]1CCC[C@H](n2ccnc2)C1 ZINC000610368836 400252232 /nfs/dbraw/zinc/25/22/32/400252232.db2.gz UTMVGBJSIMHDBD-KGLIPLIRSA-N 1 1 300.362 3.189 20 5 DGBDMO CCOc1cc(N[C@@H]2C[C@@H](C)[N@H+](C3CC3)C2)ccc1[N+](=O)[O-] ZINC000092672297 400192322 /nfs/dbraw/zinc/19/23/22/400192322.db2.gz MQUHHNKKEVJERL-DGCLKSJQSA-N 1 1 305.378 3.031 20 5 DGBDMO CCOc1cc(N[C@H]2C[C@@H](C)[N@H+](C3CC3)C2)ccc1[N+](=O)[O-] ZINC000092672303 400192448 /nfs/dbraw/zinc/19/24/48/400192448.db2.gz MQUHHNKKEVJERL-YPMHNXCESA-N 1 1 305.378 3.031 20 5 DGBDMO CC(C)C[N@@H+](C)[C@@H](C)C(=O)Nc1cc([N+](=O)[O-])ccc1Cl ZINC000068334979 400253618 /nfs/dbraw/zinc/25/36/18/400253618.db2.gz NAHQQZRXDMELIS-JTQLQIEISA-N 1 1 313.785 3.163 20 5 DGBDMO CC[C@H](C)[N@@H+](CC)CCC(=O)Nc1ccc([N+](=O)[O-])cc1OC ZINC000595599425 400198353 /nfs/dbraw/zinc/19/83/53/400198353.db2.gz LJTOHKSSVCTASN-LBPRGKRZSA-N 1 1 323.393 3.052 20 5 DGBDMO CC[C@H](C)[N@@H+](CC)CCC(=O)Nc1ccc([N+](=O)[O-])cc1C ZINC000595597851 400198942 /nfs/dbraw/zinc/19/89/42/400198942.db2.gz BKTLIKRFNBFKAI-ZDUSSCGKSA-N 1 1 307.394 3.352 20 5 DGBDMO Cc1cccc(C)c1[C@H]1CCC[N@H+]1CCn1cc([N+](=O)[O-])cn1 ZINC000595601696 400199808 /nfs/dbraw/zinc/19/98/08/400199808.db2.gz QKVGICFTAPNWJK-MRXNPFEDSA-N 1 1 314.389 3.245 20 5 DGBDMO CC[C@@H](C)[N@@H+](CC)CCC(=O)Nc1cc([N+](=O)[O-])ccc1C ZINC000595602518 400199922 /nfs/dbraw/zinc/19/99/22/400199922.db2.gz VYUOXUCZWCMARD-CYBMUJFWSA-N 1 1 307.394 3.352 20 5 DGBDMO CCc1noc(C)c1CNc1cc[nH+]c2ccc([N+](=O)[O-])cc12 ZINC000601169602 400255042 /nfs/dbraw/zinc/25/50/42/400255042.db2.gz MVVVWTVCKFMLRW-UHFFFAOYSA-N 1 1 312.329 3.036 20 5 DGBDMO O=[N+]([O-])c1ccc(CC[N@H+]2CCC[C@@H]([C@@H]3CCCCO3)C2)cc1 ZINC000595792266 400262724 /nfs/dbraw/zinc/26/27/24/400262724.db2.gz ZBLDAVMPSVOOPN-AEFFLSMTSA-N 1 1 318.417 3.418 20 5 DGBDMO CCCCC[C@@H]1CCCC[N@H+]1CCn1cc([N+](=O)[O-])ccc1=O ZINC000595869537 400283108 /nfs/dbraw/zinc/28/31/08/400283108.db2.gz BHGLYCOGRQQWLW-OAHLLOKOSA-N 1 1 321.421 3.191 20 5 DGBDMO COC(=O)c1ccc([N+](=O)[O-])c(C[N@H+]2CC[C@H](C)C[C@@H](C)C2)c1 ZINC000589501636 400301870 /nfs/dbraw/zinc/30/18/70/400301870.db2.gz UQZAZGNPAGZKJM-QWHCGFSZSA-N 1 1 320.389 3.249 20 5 DGBDMO Cc1cc(N[C@@H]2CC[N@H+](C3CC3)C2)c2cccc([N+](=O)[O-])c2n1 ZINC000596092985 400314817 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C[N@H+](Cc1ccc(-c2ccccc2[N+](=O)[O-])o1)CC1CC(O)C1 ZINC000191160674 432229682 /nfs/dbraw/zinc/22/96/82/432229682.db2.gz USOCFZHNUNAFBQ-UHFFFAOYSA-N 1 1 316.357 3.058 20 5 DGBDMO Cc1ccc([N+](=O)[O-])c(C(=O)Nc2cc(C)c3[nH+]ccn3c2)c1 ZINC000355454239 266078737 /nfs/dbraw/zinc/07/87/37/266078737.db2.gz VVQXOUAXCZGULJ-UHFFFAOYSA-N 1 1 310.313 3.112 20 5 DGBDMO Cc1cc(NC(=O)Cc2cccc([N+](=O)[O-])c2C)cn2cc[nH+]c12 ZINC000355487479 266090538 /nfs/dbraw/zinc/09/05/38/266090538.db2.gz TXPGBYBFZAMNTR-UHFFFAOYSA-N 1 1 324.340 3.041 20 5 DGBDMO CCC[N@H+](Cc1c([N+](=O)[O-])ncn1C)[C@@H]1CCc2ccccc21 ZINC000355544196 266109705 /nfs/dbraw/zinc/10/97/05/266109705.db2.gz MRBUESQUOPAWFV-OAHLLOKOSA-N 1 1 314.389 3.228 20 5 DGBDMO CCC[N@@H+](Cc1c([N+](=O)[O-])ncn1C)[C@@H]1CCc2ccccc21 ZINC000355544196 266109706 /nfs/dbraw/zinc/10/97/06/266109706.db2.gz MRBUESQUOPAWFV-OAHLLOKOSA-N 1 1 314.389 3.228 20 5 DGBDMO C[C@@H]1[C@@H](C)CCC[N@H+]1Cc1nc(-c2cccc([N+](=O)[O-])c2)no1 ZINC000172858413 432240095 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3.355 20 5 DGBDMO CO[C@H](C)C[N@@H+](C)Cc1cc([N+](=O)[O-])ccc1C(F)(F)F ZINC000293734056 274074198 /nfs/dbraw/zinc/07/41/98/274074198.db2.gz ZOKGSFCAXFYXTB-SECBINFHSA-N 1 1 306.284 3.080 20 5 DGBDMO C[C@@H]([NH2+][C@@H]1CC(C)(C)c2ccc([N+](=O)[O-])cc21)c1ccn(C)n1 ZINC000414182445 274256081 /nfs/dbraw/zinc/25/60/81/274256081.db2.gz NGFBJGDHZIPDKU-BDJLRTHQSA-N 1 1 314.389 3.402 20 5 DGBDMO C[C@@H]1CCC[C@H](C)C[N@@H+]1Cc1nc2cc([N+](=O)[O-])ccc2[nH]1 ZINC000444638758 274295464 /nfs/dbraw/zinc/29/54/64/274295464.db2.gz LVBNBXQTKYKHRR-NWDGAFQWSA-N 1 1 302.378 3.482 20 5 DGBDMO O=[N+]([O-])c1cc(F)ccc1N1CC[NH+](Cc2cccs2)CC1 ZINC000060847376 275033955 /nfs/dbraw/zinc/03/39/55/275033955.db2.gz CMWVXLNQGGWSGE-UHFFFAOYSA-N 1 1 321.377 3.118 20 5 DGBDMO CCN(C/C=C/c1ccccc1[N+](=O)[O-])[C@@H]1CCC[NH2+]CC1 ZINC000435389974 276079050 /nfs/dbraw/zinc/07/90/50/276079050.db2.gz NRBZIAXWYXSQLY-IQIBNGDESA-N 1 1 303.406 3.072 20 5 DGBDMO Cc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@H+]1CCCC(C)(C)C1 ZINC000112702072 431299372 /nfs/dbraw/zinc/29/93/72/431299372.db2.gz UFWRZFBHTLGODK-UHFFFAOYSA-N 1 1 319.405 3.354 20 5 DGBDMO CC[N@H+](CC(=O)Nc1ccccc1[N+](=O)[O-])Cc1cccs1 ZINC000007613782 431357810 /nfs/dbraw/zinc/35/78/10/431357810.db2.gz YVBXNSHOZOMNMN-UHFFFAOYSA-N 1 1 319.386 3.117 20 5 DGBDMO CC[N@@H+](CC(=O)Nc1ccccc1[N+](=O)[O-])Cc1cccs1 ZINC000007613782 431357812 /nfs/dbraw/zinc/35/78/12/431357812.db2.gz YVBXNSHOZOMNMN-UHFFFAOYSA-N 1 1 319.386 3.117 20 5 DGBDMO CC(C)C[C@H]1CC[N@@H+](Cc2cc([N+](=O)[O-])cc3c2OCOC3)C1 ZINC000074994098 431448254 /nfs/dbraw/zinc/44/82/54/431448254.db2.gz NMKOZOMLOPUPFL-CYBMUJFWSA-N 1 1 320.389 3.329 20 5 DGBDMO CC(C)CO[C@@H]1CC[N@@H+](CCCOc2ccc([N+](=O)[O-])cc2)C1 ZINC000119551343 431707736 /nfs/dbraw/zinc/70/77/36/431707736.db2.gz GWRGXFIKKSLRPD-QGZVFWFLSA-N 1 1 322.405 3.111 20 5 DGBDMO Cc1ccc([C@@H](C)NC2CC[NH+](C3CC3)CC2)cc1[N+](=O)[O-] ZINC000122839132 431846538 /nfs/dbraw/zinc/84/65/38/431846538.db2.gz SNAUZOHTZMPHAH-CYBMUJFWSA-N 1 1 303.406 3.181 20 5 DGBDMO C[C@@H]1CN(c2cccc(F)c2[N+](=O)[O-])CC[N@H+](C2CCC2)C1 ZINC000292359436 288264848 /nfs/dbraw/zinc/26/48/48/288264848.db2.gz RHAOHWREQZBERZ-LBPRGKRZSA-N 1 1 307.369 3.045 20 5 DGBDMO O=[N+]([O-])c1ccccc1C[NH2+][C@@H]1CCOc2ccc(F)cc21 ZINC000089512184 431868559 /nfs/dbraw/zinc/86/85/59/431868559.db2.gz CHSRBUCZLHNNSK-CQSZACIVSA-N 1 1 302.305 3.347 20 5 DGBDMO O=[N+]([O-])c1cc(C[NH+]2CCC(n3ccnc3)CC2)ccc1Cl ZINC000122595206 431838968 /nfs/dbraw/zinc/83/89/68/431838968.db2.gz NMGNYEJRHUWDEF-UHFFFAOYSA-N 1 1 320.780 3.282 20 5 DGBDMO CC[N@H+](Cc1coc(-c2ccc([N+](=O)[O-])cc2)n1)CC1CC1 ZINC000089897613 431884680 /nfs/dbraw/zinc/88/46/80/431884680.db2.gz GBMNHOFMZBOWHC-UHFFFAOYSA-N 1 1 301.346 3.482 20 5 DGBDMO C[C@H](c1ccncc1)[N@@H+](C)CCOc1ccccc1[N+](=O)[O-] ZINC000127529004 431975133 /nfs/dbraw/zinc/97/51/33/431975133.db2.gz HCHDHERRFOJEAU-CYBMUJFWSA-N 1 1 301.346 3.062 20 5 DGBDMO C[C@@H]1[C@H](C)OCC[N@@H+]1Cc1ccc(-c2ccc([N+](=O)[O-])cc2)o1 ZINC000126527298 431952008 /nfs/dbraw/zinc/95/20/08/431952008.db2.gz GWFFJRPURKOFJH-OLZOCXBDSA-N 1 1 316.357 3.464 20 5 DGBDMO C[C@@H]1[C@H](C)OCC[N@H+]1Cc1ccc(-c2ccc([N+](=O)[O-])cc2)o1 ZINC000126527298 431952011 /nfs/dbraw/zinc/95/20/11/431952011.db2.gz GWFFJRPURKOFJH-OLZOCXBDSA-N 1 1 316.357 3.464 20 5 DGBDMO Cc1cccc([N+](=O)[O-])c1N1CC[C@@H]2[C@@H](CCC[N@H+]2C2CC2)C1 ZINC000301770009 281260518 /nfs/dbraw/zinc/26/05/18/281260518.db2.gz IWIQNBZDOPKMQH-GOEBONIOSA-N 1 1 315.417 3.356 20 5 DGBDMO Cc1c([C@H](C)N[C@H](C)C[NH+]2CCCCC2)cccc1[N+](=O)[O-] ZINC000151863366 432284024 /nfs/dbraw/zinc/28/40/24/432284024.db2.gz GFUCBUFJDNCJQF-HIFRSBDPSA-N 1 1 305.422 3.428 20 5 DGBDMO O=C(CC[N@H+]1CCC2(CCCC2)C1)Nc1ccccc1[N+](=O)[O-] ZINC000173830326 432302871 /nfs/dbraw/zinc/30/28/71/432302871.db2.gz QMOGFUJTSHLAOR-UHFFFAOYSA-N 1 1 317.389 3.190 20 5 DGBDMO CCCC1CCC([N@@H+](C)CCn2cc([N+](=O)[O-])ccc2=O)CC1 ZINC000191425877 432263528 /nfs/dbraw/zinc/26/35/28/432263528.db2.gz IDDIZLYWEZNIBR-UHFFFAOYSA-N 1 1 321.421 3.047 20 5 DGBDMO CC[C@H](CN[C@H](C)c1cc([N+](=O)[O-])ccc1C)[NH+]1CCCC1 ZINC000151686718 432267133 /nfs/dbraw/zinc/26/71/33/432267133.db2.gz AYAXTBXKZNGBMY-HUUCEWRRSA-N 1 1 305.422 3.428 20 5 DGBDMO CC[C@@H]1C[N@@H+](Cc2ccc(-c3ccc([N+](=O)[O-])cc3)o2)C[C@H]1O ZINC000271332192 432375822 /nfs/dbraw/zinc/37/58/22/432375822.db2.gz NDOIQPLCYYJKSP-MLGOLLRUSA-N 1 1 316.357 3.058 20 5 DGBDMO CC[C@H]1CC[C@H](C)[N@H+]1Cc1nnc(-c2ccc([N+](=O)[O-])cc2)o1 ZINC000271438273 432395366 /nfs/dbraw/zinc/39/53/66/432395366.db2.gz BPDQRMQRFBZNIO-AAEUAGOBSA-N 1 1 316.361 3.408 20 5 DGBDMO Cc1c(CN[C@@H]2CCC[C@H]2[C@H]2CCCC[NH2+]2)cccc1[N+](=O)[O-] ZINC000261812629 432452300 /nfs/dbraw/zinc/45/23/00/432452300.db2.gz GPGASGMXXKKPDE-GVDBMIGSSA-N 1 1 317.433 3.304 20 5 DGBDMO CCSCC[C@H](C)[N@@H+](C)C[C@H](O)c1cccc([N+](=O)[O-])c1 ZINC000154600630 432509531 /nfs/dbraw/zinc/50/95/31/432509531.db2.gz QYUZPLSRSAEGIU-WFASDCNBSA-N 1 1 312.435 3.092 20 5 DGBDMO CC[C@H]1[C@@H](C)CC[N@H+]1Cc1cc([N+](=O)[O-])cc2c1OCOC2 ZINC000185611055 432514268 /nfs/dbraw/zinc/51/42/68/432514268.db2.gz JKTHOIUMUNZHNB-NHYWBVRUSA-N 1 1 306.362 3.082 20 5 DGBDMO Cc1c([C@@H](C)[NH2+]Cc2cc(Cl)ccc2[N+](=O)[O-])cnn1C ZINC000273265277 432575627 /nfs/dbraw/zinc/57/56/27/432575627.db2.gz AIFOSKYQGWROHQ-SECBINFHSA-N 1 1 308.769 3.141 20 5 DGBDMO CC[C@@H]([NH2+][C@@H](CCO)c1ccco1)c1cccc([N+](=O)[O-])c1 ZINC000186520357 432604100 /nfs/dbraw/zinc/60/41/00/432604100.db2.gz UYNQHCFAMCKSLX-CABCVRRESA-N 1 1 304.346 3.352 20 5 DGBDMO CC[C@@H](C)C[N@@H+](CC)Cc1cc([N+](=O)[O-])cc2c1OCOC2 ZINC000177860986 432667954 /nfs/dbraw/zinc/66/79/54/432667954.db2.gz MLVQIZDTWIXXSY-GFCCVEGCSA-N 1 1 308.378 3.329 20 5 DGBDMO O=[N+]([O-])c1ccccc1C[N@@H+]1CCO[C@]2(CCc3ccccc32)C1 ZINC000159452191 432683166 /nfs/dbraw/zinc/68/31/66/432683166.db2.gz ZXHYIFAWMQQRJD-LJQANCHMSA-N 1 1 324.380 3.269 20 5 DGBDMO O=[N+]([O-])c1ccccc1C[N@H+]1CCO[C@]2(CCc3ccccc32)C1 ZINC000159452191 432683172 /nfs/dbraw/zinc/68/31/72/432683172.db2.gz ZXHYIFAWMQQRJD-LJQANCHMSA-N 1 1 324.380 3.269 20 5 DGBDMO Cc1[nH+]ccn1-c1ncccc1NCc1ccc(C)c([N+](=O)[O-])c1 ZINC000237807950 432799947 /nfs/dbraw/zinc/79/99/47/432799947.db2.gz LURSGGJNPQDVLZ-UHFFFAOYSA-N 1 1 323.356 3.404 20 5 DGBDMO C[C@H]1CC[N@@H+](Cc2nnc(-c3ccc([N+](=O)[O-])cc3)o2)C[C@H]1C ZINC000245941776 432871036 /nfs/dbraw/zinc/87/10/36/432871036.db2.gz RBJXYNHUSOMHDS-NWDGAFQWSA-N 1 1 316.361 3.123 20 5 DGBDMO CCOc1cc(C[N@H+]2CC[C@H](OC)C(C)(C)C2)ccc1[N+](=O)[O-] ZINC000296297833 432894336 /nfs/dbraw/zinc/89/43/36/432894336.db2.gz ZOJLIBNYRHDJNF-INIZCTEOSA-N 1 1 322.405 3.240 20 5 DGBDMO COCCO[C@@H]1CCC[N@H+]([C@H](C)c2cc([N+](=O)[O-])ccc2C)C1 ZINC000245525695 432840257 /nfs/dbraw/zinc/84/02/57/432840257.db2.gz OPKBYJLXQUHIPR-GDBMZVCRSA-N 1 1 322.405 3.092 20 5 DGBDMO CCOc1cc(C[N@@H+]2CCS[C@H](CC)C2)ccc1[N+](=O)[O-] ZINC000331142781 432932757 /nfs/dbraw/zinc/93/27/57/432932757.db2.gz FYAVDGKESQSWHF-CYBMUJFWSA-N 1 1 310.419 3.321 20 5 DGBDMO CCOc1cc(C[N@H+]2CCS[C@H](CC)C2)ccc1[N+](=O)[O-] ZINC000331142781 432932760 /nfs/dbraw/zinc/93/27/60/432932760.db2.gz FYAVDGKESQSWHF-CYBMUJFWSA-N 1 1 310.419 3.321 20 5 DGBDMO C[C@@H](O)[C@H]1C[C@H](C)CC[N@H+]1Cc1ccc([N+](=O)[O-])cc1Cl ZINC000331292509 432938187 /nfs/dbraw/zinc/93/81/87/432938187.db2.gz QJKDCMMQJAXRPX-UEKVPHQBSA-N 1 1 312.797 3.230 20 5 DGBDMO O=[N+]([O-])c1ccc(CC[N@H+]2CCC[C@H](c3ccncc3)C2)cc1 ZINC000289280805 432941076 /nfs/dbraw/zinc/94/10/76/432941076.db2.gz GCQDBNBJPGWVLE-KRWDZBQOSA-N 1 1 311.385 3.412 20 5 DGBDMO Cc1ccncc1CCC[N@H+](C)CCc1ccccc1[N+](=O)[O-] ZINC000289342885 432947133 /nfs/dbraw/zinc/94/71/33/432947133.db2.gz ICNPGIPTGKZSLR-UHFFFAOYSA-N 1 1 313.401 3.405 20 5 DGBDMO CCC[C@@]1(CO)CC[N@@H+](Cc2ccc([N+](=O)[O-])cc2Cl)C1 ZINC000288769570 432896714 /nfs/dbraw/zinc/89/67/14/432896714.db2.gz JMNJIGZEMDZLFK-OAHLLOKOSA-N 1 1 312.797 3.233 20 5 DGBDMO CCC[C@@]1(CO)CC[N@H+](Cc2cc([N+](=O)[O-])ccc2Cl)C1 ZINC000288939353 432907843 /nfs/dbraw/zinc/90/78/43/432907843.db2.gz WRBNMUWTKVEHKW-OAHLLOKOSA-N 1 1 312.797 3.233 20 5 DGBDMO CCC[C@@]1(CO)CC[N@@H+](Cc2cc([N+](=O)[O-])ccc2Cl)C1 ZINC000288939353 432907849 /nfs/dbraw/zinc/90/78/49/432907849.db2.gz WRBNMUWTKVEHKW-OAHLLOKOSA-N 1 1 312.797 3.233 20 5 DGBDMO C[C@@H]1C[C@H](c2ccccc2)[C@@H](C)[N@H+]1CCn1cc([N+](=O)[O-])cn1 ZINC000296554347 432921828 /nfs/dbraw/zinc/92/18/28/432921828.db2.gz CBWXHOZJDUHJRO-CPUCHLNUSA-N 1 1 314.389 3.058 20 5 DGBDMO CCCC[N@@H+](C)C[C@H](C)Nc1ncnc2sc([N+](=O)[O-])cc21 ZINC000341132992 432971202 /nfs/dbraw/zinc/97/12/02/432971202.db2.gz WLVNZCNHJVKPSF-JTQLQIEISA-N 1 1 323.422 3.132 20 5 DGBDMO Cc1cnn([C@H]2CC[N@H+]([C@H](C)c3cc([N+](=O)[O-])ccc3C)C2)c1 ZINC000290033938 432982128 /nfs/dbraw/zinc/98/21/28/432982128.db2.gz VZLVHGWRQSCZLK-ZBFHGGJFSA-N 1 1 314.389 3.416 20 5 DGBDMO C[C@@H]1C[N@@H+](Cc2cc([N+](=O)[O-])cc3c2OCOC3)CC(C)(C)C1 ZINC000332253562 432992140 /nfs/dbraw/zinc/99/21/40/432992140.db2.gz YHDAQSFUWLUVCX-LBPRGKRZSA-N 1 1 320.389 3.329 20 5 DGBDMO Cc1c(C[N@@H+]2CCC[C@@H](c3ccnn3C)C2)cccc1[N+](=O)[O-] ZINC000332352091 433000340 /nfs/dbraw/zinc/00/03/40/433000340.db2.gz SSKKIOCBYNMLHL-OAHLLOKOSA-N 1 1 314.389 3.016 20 5 DGBDMO O=[N+]([O-])c1cc(C[N@@H+]2CCC[C@H](c3ccncc3)C2)cs1 ZINC000331658617 432956943 /nfs/dbraw/zinc/95/69/43/432956943.db2.gz WUWLYUWEMIZNRL-AWEZNQCLSA-N 1 1 303.387 3.431 20 5 DGBDMO O=[N+]([O-])c1cc(C[N@H+]2CCC[C@H](c3ccncc3)C2)cs1 ZINC000331658617 432956945 /nfs/dbraw/zinc/95/69/45/432956945.db2.gz WUWLYUWEMIZNRL-AWEZNQCLSA-N 1 1 303.387 3.431 20 5 DGBDMO O=[N+]([O-])c1ccccc1C=CC[NH2+]CCc1ccc2cn[nH]c2c1 ZINC000341277078 433014530 /nfs/dbraw/zinc/01/45/30/433014530.db2.gz SQMBZVDFASRBGR-HYXAFXHYSA-N 1 1 322.368 3.317 20 5 DGBDMO CCC[C@H](C)[N@@H+](C)CCC(=O)Nc1ccc([N+](=O)[O-])cc1OC ZINC000297841717 433023404 /nfs/dbraw/zinc/02/34/04/433023404.db2.gz KPFKLJJCYKJVFP-LBPRGKRZSA-N 1 1 323.393 3.052 20 5 DGBDMO CCC[C@]1(CO)CCC[N@H+]1C/C=C/c1ccccc1[N+](=O)[O-] ZINC000446904458 433127635 /nfs/dbraw/zinc/12/76/35/433127635.db2.gz APPPSUPKOXIYAV-ZGRWHYIRSA-N 1 1 304.390 3.235 20 5 DGBDMO Cc1c([C@H](C)[NH2+][C@@H]2C[C@H](C)n3ccnc32)cccc1[N+](=O)[O-] ZINC000453370675 433128754 /nfs/dbraw/zinc/12/87/54/433128754.db2.gz VRNNBKBBRANBTD-VHRBIJSZSA-N 1 1 300.362 3.456 20 5 DGBDMO COc1cccc2c1CC[N@H+](Cc1ccc(C)c([N+](=O)[O-])c1)C2 ZINC000341568562 433138654 /nfs/dbraw/zinc/13/86/54/433138654.db2.gz UGHJKXJNLUJIBO-UHFFFAOYSA-N 1 1 312.369 3.470 20 5 DGBDMO COc1cccc2c1CC[N@@H+](Cc1ccc(C)c([N+](=O)[O-])c1)C2 ZINC000341568562 433138660 /nfs/dbraw/zinc/13/86/60/433138660.db2.gz UGHJKXJNLUJIBO-UHFFFAOYSA-N 1 1 312.369 3.470 20 5 DGBDMO CC(C)n1nccc1C[NH2+]Cc1ccc([N+](=O)[O-])cc1Cl ZINC000354596068 433172318 /nfs/dbraw/zinc/17/23/18/433172318.db2.gz FJUGSQNDWAQXGQ-UHFFFAOYSA-N 1 1 308.769 3.315 20 5 DGBDMO CCC[C@H]([NH2+][C@@H]1CCc2cn[nH]c2C1)c1cccc([N+](=O)[O-])c1 ZINC000374445205 433191914 /nfs/dbraw/zinc/19/19/14/433191914.db2.gz XVZDOTIBQPZWRK-ZBFHGGJFSA-N 1 1 314.389 3.306 20 5 DGBDMO C[N@@H+](Cc1nc2cc([N+](=O)[O-])ccc2[nH]1)[C@@H]1CCC(C)(C)C1 ZINC000361471839 433193132 /nfs/dbraw/zinc/19/31/32/433193132.db2.gz VHIOJXWGOFWPCG-GFCCVEGCSA-N 1 1 302.378 3.482 20 5 DGBDMO O=C(C[N@@H+](CC1CC1)CC1CCC1)Nc1ccccc1[N+](=O)[O-] ZINC000361570451 433255026 /nfs/dbraw/zinc/25/50/26/433255026.db2.gz CFJUYHIXBGKOIY-UHFFFAOYSA-N 1 1 317.389 3.045 20 5 DGBDMO Cc1cc([N+](=O)[O-])ccc1NC(=O)C[N@@H+](CC1CC1)C1CCC1 ZINC000361571211 433255774 /nfs/dbraw/zinc/25/57/74/433255774.db2.gz IOKPOLSUIJONBG-UHFFFAOYSA-N 1 1 317.389 3.106 20 5 DGBDMO Cc1ccc([C@@H](C)[N@@H+](C)CCn2cc([N+](=O)[O-])cn2)c(C)c1 ZINC000350724570 433266104 /nfs/dbraw/zinc/26/61/04/433266104.db2.gz LWWPPVARUCSXTJ-CQSZACIVSA-N 1 1 302.378 3.101 20 5 DGBDMO CC1(C)C[C@@H](c2ccccc2)[N@@H+](CCn2ccc([N+](=O)[O-])n2)C1 ZINC000425538329 433290526 /nfs/dbraw/zinc/29/05/26/433290526.db2.gz IPBUHYJXSNTQEM-HNNXBMFYSA-N 1 1 314.389 3.265 20 5 DGBDMO COCC[N@@H+](Cc1ccc(OC)c([N+](=O)[O-])c1)[C@H]1CC[C@H](C)C1 ZINC000361645401 433311152 /nfs/dbraw/zinc/31/11/52/433311152.db2.gz RRCSASNDEMGDIR-ZFWWWQNUSA-N 1 1 322.405 3.240 20 5 DGBDMO COCC[N@H+](Cc1cccc([N+](=O)[O-])c1)C[C@@H]1CC=CCC1 ZINC000361674238 433333817 /nfs/dbraw/zinc/33/38/17/433333817.db2.gz CSKIAULAJDBQQE-OAHLLOKOSA-N 1 1 304.390 3.400 20 5 DGBDMO COc1cc(C)nc(C[NH2+][C@H](C)c2ccc(C)c([N+](=O)[O-])c2)c1 ZINC000299176548 433343499 /nfs/dbraw/zinc/34/34/99/433343499.db2.gz YQERAPCMHLIZRL-CYBMUJFWSA-N 1 1 315.373 3.466 20 5 DGBDMO CC1(C)[C@@H](c2ccccc2)CC[N@H+]1CCn1cc([N+](=O)[O-])cn1 ZINC000421022534 433389775 /nfs/dbraw/zinc/38/97/75/433389775.db2.gz QMSRLTMBNRFUSQ-MRXNPFEDSA-N 1 1 314.389 3.059 20 5 DGBDMO O=[N+]([O-])c1ccc2[nH]c(C[NH2+]Cc3cc(Cl)cs3)nc2c1 ZINC000425995458 433393997 /nfs/dbraw/zinc/39/39/97/433393997.db2.gz LIXOIBFCVOYGQB-UHFFFAOYSA-N 1 1 322.777 3.476 20 5 DGBDMO C[N@@H+](CCOCc1ccccc1)Cc1cccc([N+](=O)[O-])c1 ZINC000354994687 433398823 /nfs/dbraw/zinc/39/88/23/433398823.db2.gz SFTZHLZXGNFUQZ-UHFFFAOYSA-N 1 1 300.358 3.243 20 5 DGBDMO C[N@H+]1CCC[C@H](CNc2ccc([N+](=O)[O-])cc2C(F)(F)F)C1 ZINC000301084476 433404416 /nfs/dbraw/zinc/40/44/16/433404416.db2.gz DGULWPLKNRHQIF-SNVBAGLBSA-N 1 1 317.311 3.367 20 5 DGBDMO Cc1n[nH]cc1C1CC[NH+](Cc2cc(F)ccc2[N+](=O)[O-])CC1 ZINC000375384518 433448373 /nfs/dbraw/zinc/44/83/73/433448373.db2.gz OAGZRPBKHOHKHA-UHFFFAOYSA-N 1 1 318.352 3.145 20 5 DGBDMO Cc1c(C[N@H+]2CCOC[C@@H](C3CCC3)C2)cccc1[N+](=O)[O-] ZINC000292080340 433453442 /nfs/dbraw/zinc/45/34/42/433453442.db2.gz FPQBNHRKWPMZBL-INIZCTEOSA-N 1 1 304.390 3.152 20 5 DGBDMO C[C@H]1CCC(C)(C)[N@H+]1Cc1cc([N+](=O)[O-])cc2c1OCOC2 ZINC000332026369 290368375 /nfs/dbraw/zinc/36/83/75/290368375.db2.gz UCFNJXZTLFDIJR-NSHDSACASA-N 1 1 306.362 3.224 20 5 DGBDMO CC[C@@H]1CCCC[N@H+]1CCNc1ccc([N+](=O)[O-])c(C(C)=O)c1 ZINC000342130315 433488055 /nfs/dbraw/zinc/48/80/55/433488055.db2.gz NXJRQXYOGUTEGW-OAHLLOKOSA-N 1 1 319.405 3.474 20 5 DGBDMO Cc1c(NC(=O)CC[N@H+]2CC[C@H]3CCC[C@@H]32)cccc1[N+](=O)[O-] ZINC000426467607 433508938 /nfs/dbraw/zinc/50/89/38/433508938.db2.gz HIWHRIUIVVVAHR-CJNGLKHVSA-N 1 1 317.389 3.106 20 5 DGBDMO Cc1cc(NCCC[N@H+](C)C2CCCCC2)ncc1[N+](=O)[O-] ZINC000301429681 433550410 /nfs/dbraw/zinc/55/04/10/433550410.db2.gz NUVJKQZHHZHTSL-UHFFFAOYSA-N 1 1 306.410 3.365 20 5 DGBDMO COCC[N@@H+](Cc1cc([N+](=O)[O-])ccc1OC)[C@@H]1CC[C@H](C)C1 ZINC000362157528 433553872 /nfs/dbraw/zinc/55/38/72/433553872.db2.gz PTZJJTXWRQWFDX-DZGCQCFKSA-N 1 1 322.405 3.240 20 5 DGBDMO O=[N+]([O-])c1ccccc1/C=C\C[N@@H+]1CCC[C@@H](CCO)CC1 ZINC000421399039 433542213 /nfs/dbraw/zinc/54/22/13/433542213.db2.gz PHVHFCNORCGSEU-IJVDHGTGSA-N 1 1 304.390 3.093 20 5 DGBDMO CC[N@@H+](C)C[C@H]1CCN(c2cc(C)c([N+](=O)[O-])cc2Cl)C1 ZINC000301524340 433596490 /nfs/dbraw/zinc/59/64/90/433596490.db2.gz IHXIFUXOXCXFJK-GFCCVEGCSA-N 1 1 311.813 3.335 20 5 DGBDMO C[N@@H+](CCNc1ccccc1[N+](=O)[O-])Cc1ccc(F)cc1 ZINC000301571443 433619408 /nfs/dbraw/zinc/61/94/08/433619408.db2.gz XBSLHZWDGMOFQZ-UHFFFAOYSA-N 1 1 303.337 3.278 20 5 DGBDMO O=[N+]([O-])c1ccc(C[N@@H+](CCCO)Cc2ccccc2)cc1F ZINC000283112235 433668815 /nfs/dbraw/zinc/66/88/15/433668815.db2.gz MLFUAOXROOCYBY-UHFFFAOYSA-N 1 1 318.348 3.119 20 5 DGBDMO C[N@H+]1CCC[C@@H]2CN(c3ccc([N+](=O)[O-])cc3Cl)CC[C@H]21 ZINC000301720855 433696037 /nfs/dbraw/zinc/69/60/37/433696037.db2.gz QBSMDZVHCLJBMR-BXUZGUMPSA-N 1 1 309.797 3.169 20 5 DGBDMO O=[N+]([O-])c1ccc(Cl)c(C[NH+]2CCC([C@@H]3CCOC3)CC2)c1 ZINC000368265027 293112192 /nfs/dbraw/zinc/11/21/92/293112192.db2.gz RBSNLROJPLUVRG-CYBMUJFWSA-N 1 1 324.808 3.497 20 5 DGBDMO CC(C)[C@H]1[N@H+](Cc2csc([N+](=O)[O-])c2)CC12CCOCC2 ZINC000414534923 433703264 /nfs/dbraw/zinc/70/32/64/433703264.db2.gz VOZWAOUQVSXLSO-CQSZACIVSA-N 1 1 310.419 3.293 20 5 DGBDMO CC(C)[C@H]1[N@@H+](Cc2csc([N+](=O)[O-])c2)CC12CCOCC2 ZINC000414534923 433703273 /nfs/dbraw/zinc/70/32/73/433703273.db2.gz VOZWAOUQVSXLSO-CQSZACIVSA-N 1 1 310.419 3.293 20 5 DGBDMO C[C@@H](C[N@H+]1CCC[C@H](C)C1)Nc1ncc(Cl)cc1[N+](=O)[O-] ZINC000301748827 433708940 /nfs/dbraw/zinc/70/89/40/433708940.db2.gz SPBHTQMSGCAZET-QWRGUYRKSA-N 1 1 312.801 3.176 20 5 DGBDMO CCSCC[C@H](C)[N@@H+](C)CCOc1cccc([N+](=O)[O-])c1 ZINC000362455709 433727320 /nfs/dbraw/zinc/72/73/20/433727320.db2.gz SWFXKICWHKTABX-ZDUSSCGKSA-N 1 1 312.435 3.437 20 5 DGBDMO CCc1cccnc1[C@H](C)[NH2+]Cc1cc([N+](=O)[O-])ccc1OC ZINC000356852354 433732274 /nfs/dbraw/zinc/73/22/74/433732274.db2.gz RLAAXVNMQWYPGB-LBPRGKRZSA-N 1 1 315.373 3.412 20 5 DGBDMO CC(C)[N@H+]1CC[C@@H](N(C)Cc2ccc([N+](=O)[O-])cc2Cl)C1 ZINC000449784978 433798017 /nfs/dbraw/zinc/79/80/17/433798017.db2.gz DEFFRQFWSAVDMM-CQSZACIVSA-N 1 1 311.813 3.163 20 5 DGBDMO O=[N+]([O-])c1cccc(OCC[N@@H+]2CCc3cc(F)ccc3C2)c1 ZINC000351937682 433803906 /nfs/dbraw/zinc/80/39/06/433803906.db2.gz VCVGRGZMSCHTHU-UHFFFAOYSA-N 1 1 316.332 3.171 20 5 DGBDMO O=[N+]([O-])c1cccc(OCC[N@H+]2CCc3cc(F)ccc3C2)c1 ZINC000351937682 433803916 /nfs/dbraw/zinc/80/39/16/433803916.db2.gz VCVGRGZMSCHTHU-UHFFFAOYSA-N 1 1 316.332 3.171 20 5 DGBDMO C/C(=C\c1cccc([N+](=O)[O-])c1)CN(C)[C@H]1CC[N@H+](C(C)C)C1 ZINC000449789492 433805599 /nfs/dbraw/zinc/80/55/99/433805599.db2.gz ZYSUUTZBLWKVCV-KAPURRDVSA-N 1 1 317.433 3.413 20 5 DGBDMO CC(C)(C)C[N@H+](CCCO)Cc1c(F)cc([N+](=O)[O-])cc1F ZINC000352027135 433870428 /nfs/dbraw/zinc/87/04/28/433870428.db2.gz NSZXJSCAWUBBSE-UHFFFAOYSA-N 1 1 316.348 3.104 20 5 DGBDMO CC(C)(C)C[N@@H+](CCCO)Cc1c(F)cc([N+](=O)[O-])cc1F ZINC000352027135 433870432 /nfs/dbraw/zinc/87/04/32/433870432.db2.gz NSZXJSCAWUBBSE-UHFFFAOYSA-N 1 1 316.348 3.104 20 5 DGBDMO CC(C)c1ccc(C[N@@H+](C)CCc2cnccn2)cc1[N+](=O)[O-] ZINC000357211136 433911954 /nfs/dbraw/zinc/91/19/54/433911954.db2.gz FENAAVWSGPSHBT-UHFFFAOYSA-N 1 1 314.389 3.183 20 5 DGBDMO O=[N+]([O-])c1ccc(CC[N@H+](CCCO)Cc2ccccc2)cc1 ZINC000362951940 433925165 /nfs/dbraw/zinc/92/51/65/433925165.db2.gz OXSFHSWQJWKSSG-UHFFFAOYSA-N 1 1 314.385 3.022 20 5 DGBDMO Cn1cnc([N+](=O)[O-])c1C[N@H+]1CCC[C@H]1CCC1CCCC1 ZINC000362959788 433931263 /nfs/dbraw/zinc/93/12/63/433931263.db2.gz FBYHBLORMQGLGB-AWEZNQCLSA-N 1 1 306.410 3.263 20 5 DGBDMO C[C@@H]1[C@H](C)SCC[N@H+]1CCCOc1ccc([N+](=O)[O-])cc1 ZINC000303725665 433963921 /nfs/dbraw/zinc/96/39/21/433963921.db2.gz STHFZFAPKNDQHH-OLZOCXBDSA-N 1 1 310.419 3.190 20 5 DGBDMO O=[N+]([O-])c1ccc(-c2ccc(C[N@@H+]3CCC[C@@H](O)CC3)o2)cc1 ZINC000294034571 433972397 /nfs/dbraw/zinc/97/23/97/433972397.db2.gz OOBNHOLNBWYDHB-OAHLLOKOSA-N 1 1 316.357 3.202 20 5 DGBDMO COc1ccc(C[NH2+]C(C)(C)c2c(C)noc2C)cc1[N+](=O)[O-] ZINC000285635854 434023312 /nfs/dbraw/zinc/02/33/12/434023312.db2.gz YWPLTIKYIOQUEG-UHFFFAOYSA-N 1 1 319.361 3.233 20 5 DGBDMO CC[N@H+]1CCC[C@@H]1CNc1nccc2c1cccc2[N+](=O)[O-] ZINC000450216754 434033882 /nfs/dbraw/zinc/03/38/82/434033882.db2.gz NYJQHWXNCLOGDA-GFCCVEGCSA-N 1 1 300.362 3.039 20 5 DGBDMO C[C@@H](c1ccccc1)[C@H](O)C[N@@H+](C)Cc1ccccc1[N+](=O)[O-] ZINC000450226409 434038139 /nfs/dbraw/zinc/03/81/39/434038139.db2.gz LHVRDUOVGHXWNT-KBXCAEBGSA-N 1 1 314.385 3.191 20 5 DGBDMO O=[N+]([O-])c1ccccc1OCC[N@H+]1CC[C@H](c2ccco2)C1 ZINC000363503271 434074885 /nfs/dbraw/zinc/07/48/85/434074885.db2.gz BJTAFKCXQKOLAA-ZDUSSCGKSA-N 1 1 302.330 3.056 20 5 DGBDMO C[C@H](CNc1nccc2c1cccc2[N+](=O)[O-])[N@@H+](C)C1CC1 ZINC000450306801 434093806 /nfs/dbraw/zinc/09/38/06/434093806.db2.gz DSDYUUYTXBQUNI-LLVKDONJSA-N 1 1 300.362 3.038 20 5 DGBDMO CC(C)CCC[NH2+][C@@H](c1nccn1C)c1cccc([N+](=O)[O-])c1 ZINC000353398255 434107577 /nfs/dbraw/zinc/10/75/77/434107577.db2.gz ZQQXZNGUXRRQJZ-MRXNPFEDSA-N 1 1 316.405 3.444 20 5 DGBDMO C[C@@H](O)C[C@@H]1CCCCC[N@H+]1Cc1ccc([N+](=O)[O-])c(F)c1 ZINC000285942774 434114532 /nfs/dbraw/zinc/11/45/32/434114532.db2.gz MFWWCMHKQFTXSB-OCCSQVGLSA-N 1 1 310.369 3.249 20 5 DGBDMO COC1CCC([N@@H+](C)C/C=C\c2ccccc2[N+](=O)[O-])CC1 ZINC000353467743 434154940 /nfs/dbraw/zinc/15/49/40/434154940.db2.gz CVYHQPGUNXQGQQ-ALCCZGGFSA-N 1 1 304.390 3.497 20 5 DGBDMO CCO[C@H]1C[C@H]([N@@H+](C)CCc2ccc([N+](=O)[O-])cc2)C12CCC2 ZINC000357814921 434196404 /nfs/dbraw/zinc/19/64/04/434196404.db2.gz UXPLTLICFBVODW-IRXDYDNUSA-N 1 1 318.417 3.417 20 5 DGBDMO COc1ccc(Cn2c[nH+]c3c2C[C@H](C)[C@@H](C)C3)cc1[N+](=O)[O-] ZINC000323871842 434266149 /nfs/dbraw/zinc/26/61/49/434266149.db2.gz LSGWMLDGCLDZFW-RYUDHWBXSA-N 1 1 315.373 3.219 20 5 DGBDMO CC(C)[N@@H+](C)C[C@@H](C)Nc1ccc([N+](=O)[O-])c2ncccc12 ZINC000319987236 434232251 /nfs/dbraw/zinc/23/22/51/434232251.db2.gz SPTQEKNBWPCTAT-GFCCVEGCSA-N 1 1 302.378 3.284 20 5 DGBDMO C[C@H](Cc1ccccc1[N+](=O)[O-])NCC1([NH3+])CCCCCC1 ZINC000423203302 434281138 /nfs/dbraw/zinc/28/11/38/434281138.db2.gz SJTRBWHDNMWSOI-CQSZACIVSA-N 1 1 305.422 3.167 20 5 DGBDMO CCOc1ccc([C@H](C)N[C@@H](C)[C@H]2CCC[NH2+]C2)cc1[N+](=O)[O-] ZINC000423213891 434291786 /nfs/dbraw/zinc/29/17/86/434291786.db2.gz KMGDNEBAAAPCHI-YDHLFZDLSA-N 1 1 321.421 3.032 20 5 DGBDMO O=[N+]([O-])c1ccc(OCC[N@H+]2CC[C@@H]2Cc2ccccc2)cc1 ZINC000437846550 434353843 /nfs/dbraw/zinc/35/38/43/434353843.db2.gz LLVOTOBIQUUUDQ-QGZVFWFLSA-N 1 1 312.369 3.291 20 5 DGBDMO O=[N+]([O-])c1ccc(Cl)c(C[N@H+]2CC[C@H]([C@H]3CCOC3)C2)c1 ZINC000366648159 434474639 /nfs/dbraw/zinc/47/46/39/434474639.db2.gz ACBUKOFRMHDSKA-RYUDHWBXSA-N 1 1 310.781 3.107 20 5 DGBDMO COC(=O)CC[N@@H+](Cc1ccc([N+](=O)[O-])cc1Cl)C(C)C ZINC000360027642 434484359 /nfs/dbraw/zinc/48/43/59/434484359.db2.gz MVORPYAWQYSXSL-UHFFFAOYSA-N 1 1 314.769 3.022 20 5 DGBDMO CC(C)c1ccc(CN2CC[C@@]3(CC[N@@H+](C)C3)C2)cc1[N+](=O)[O-] ZINC000366571589 434451522 /nfs/dbraw/zinc/45/15/22/434451522.db2.gz XVIFLMPACYDIAE-GOSISDBHSA-N 1 1 317.433 3.246 20 5 DGBDMO Cc1c([C@H](C)[NH2+][C@H](c2nccn2C)C2CC2)cccc1[N+](=O)[O-] ZINC000353893226 434507402 /nfs/dbraw/zinc/50/74/02/434507402.db2.gz ZSTLPJJFNASZMM-LRDDRELGSA-N 1 1 314.389 3.439 20 5 DGBDMO CC[N@H+]1CC[C@H]2CC[C@@H](C1)N2c1cc(C)c([N+](=O)[O-])cc1F ZINC000360086432 434510184 /nfs/dbraw/zinc/51/01/84/434510184.db2.gz YSICGWAVAPPQNI-OLZOCXBDSA-N 1 1 307.369 3.105 20 5 DGBDMO CCC[N@@H+]1CCC[C@H]1CN[C@@H]1CCCc2ccc([N+](=O)[O-])cc21 ZINC000353970486 434549947 /nfs/dbraw/zinc/54/99/47/434549947.db2.gz FAFTZBQNQIKVBB-FUHWJXTLSA-N 1 1 317.433 3.436 20 5 DGBDMO CCC[N@H+]1CCC[C@H]1CN[C@@H]1CCCc2ccc([N+](=O)[O-])cc21 ZINC000353970486 434549950 /nfs/dbraw/zinc/54/99/50/434549950.db2.gz FAFTZBQNQIKVBB-FUHWJXTLSA-N 1 1 317.433 3.436 20 5 DGBDMO C[C@@H]1Cc2ccccc2C[N@H+]1CCOc1ccccc1[N+](=O)[O-] ZINC000525637840 295023149 /nfs/dbraw/zinc/02/31/49/295023149.db2.gz HCJACBXTXDLTED-CQSZACIVSA-N 1 1 312.369 3.420 20 5 DGBDMO Cc1[nH+]ccn1-c1ccccc1CNc1nccc(C)c1[N+](=O)[O-] ZINC000360266381 434562702 /nfs/dbraw/zinc/56/27/02/434562702.db2.gz QEZHQBASOZKKJU-UHFFFAOYSA-N 1 1 323.356 3.404 20 5 DGBDMO CCn1cncc1C[N@H+]1CCC[C@H](c2ccc([N+](=O)[O-])cc2)C1 ZINC000418070124 434579592 /nfs/dbraw/zinc/57/95/92/434579592.db2.gz GICSLYDWLWATEC-HNNXBMFYSA-N 1 1 314.389 3.191 20 5 DGBDMO COC1(C(F)(F)F)CC[NH+](Cc2ccccc2[N+](=O)[O-])CC1 ZINC000418095675 434586440 /nfs/dbraw/zinc/58/64/40/434586440.db2.gz UISMYPUYHKWCTN-UHFFFAOYSA-N 1 1 318.295 3.138 20 5 DGBDMO Cc1cc([N+](=O)[O-])ccc1C[NH+]1CC(COc2ccccc2)C1 ZINC000459630110 434637997 /nfs/dbraw/zinc/63/79/97/434637997.db2.gz IEPCATDGAONZQU-UHFFFAOYSA-N 1 1 312.369 3.414 20 5 DGBDMO C[C@H]1CC[N@@H+](C)CCN1c1ccc(C(F)(F)F)cc1[N+](=O)[O-] ZINC000354082945 434610444 /nfs/dbraw/zinc/61/04/44/434610444.db2.gz AGHSDUGNQZAIGN-JTQLQIEISA-N 1 1 317.311 3.144 20 5 DGBDMO Cc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@H+](C)C1CC(C)(C)C1 ZINC000459745441 434691179 /nfs/dbraw/zinc/69/11/79/434691179.db2.gz SRDLGGSEAKYUMG-UHFFFAOYSA-N 1 1 319.405 3.352 20 5 DGBDMO CCOc1ccc([C@H](C)N[C@H]2CC[N@@H+](C)[C@H](C)C2)cc1[N+](=O)[O-] ZINC000349245954 434650185 /nfs/dbraw/zinc/65/01/85/434650185.db2.gz IWYOEKGWFSDMCY-IPYPFGDCSA-N 1 1 321.421 3.127 20 5 DGBDMO CCOc1ccc([C@H](C)[NH2+][C@H]2CCN(C)[C@H](C)C2)cc1[N+](=O)[O-] ZINC000349245954 434650190 /nfs/dbraw/zinc/65/01/90/434650190.db2.gz IWYOEKGWFSDMCY-IPYPFGDCSA-N 1 1 321.421 3.127 20 5 DGBDMO Cc1cccc(NCCNc2ccc(Cl)cc2[N+](=O)[O-])[nH+]1 ZINC000349269802 434655296 /nfs/dbraw/zinc/65/52/96/434655296.db2.gz WBQAVGFGBWEJKR-UHFFFAOYSA-N 1 1 306.753 3.476 20 5 DGBDMO COc1cc([N+](=O)[O-])ccc1C[NH+]1CCC(OC2CCC2)CC1 ZINC000419306073 434768942 /nfs/dbraw/zinc/76/89/42/434768942.db2.gz SFKKJIBJUPNKKE-UHFFFAOYSA-N 1 1 320.389 3.137 20 5 DGBDMO O=[N+]([O-])c1cccc(C[N@H+]2CCC[C@H](C[C@H]3CCOC3)C2)c1 ZINC000361026512 434770001 /nfs/dbraw/zinc/77/00/01/434770001.db2.gz BCJKMIVNFQFFPA-GDBMZVCRSA-N 1 1 304.390 3.233 20 5 DGBDMO CC1(C)C[N@@H+](CCc2ccc([N+](=O)[O-])cc2)[C@@H]2CCC[C@H]2O1 ZINC000440943953 434757183 /nfs/dbraw/zinc/75/71/83/434757183.db2.gz SDRWUYHTVVHGAW-HZPDHXFCSA-N 1 1 304.390 3.169 20 5 DGBDMO Cc1cc(C)n(CC[N@H+](Cc2ccccc2[N+](=O)[O-])C2CC2)n1 ZINC000441249281 434762116 /nfs/dbraw/zinc/76/21/16/434762116.db2.gz CEMRUXNYVZALST-UHFFFAOYSA-N 1 1 314.389 3.073 20 5 DGBDMO Cc1cc(C)n(CC[N@@H+](Cc2ccccc2[N+](=O)[O-])C2CC2)n1 ZINC000441249281 434762119 /nfs/dbraw/zinc/76/21/19/434762119.db2.gz CEMRUXNYVZALST-UHFFFAOYSA-N 1 1 314.389 3.073 20 5 DGBDMO O=[N+]([O-])c1cccc(F)c1C[N@@H+]1CCSC[C@@H]1C1CCC1 ZINC000419354351 434776740 /nfs/dbraw/zinc/77/67/40/434776740.db2.gz CWORSMXCBAHZPV-OAHLLOKOSA-N 1 1 310.394 3.451 20 5 DGBDMO O=[N+]([O-])c1cccc(F)c1C[N@H+]1CCSC[C@@H]1C1CCC1 ZINC000419354351 434776744 /nfs/dbraw/zinc/77/67/44/434776744.db2.gz CWORSMXCBAHZPV-OAHLLOKOSA-N 1 1 310.394 3.451 20 5 DGBDMO CCn1c(C)nc([N+](=O)[O-])c1NC[C@@H]1CCCC[N@H+]1CC(C)C ZINC000361056016 434781881 /nfs/dbraw/zinc/78/18/81/434781881.db2.gz GRCINLJDPFHUGT-AWEZNQCLSA-N 1 1 323.441 3.042 20 5 DGBDMO CC(C)c1ccc(CN2C[C@@H](C)[N@@H+](C)C[C@@H]2C)cc1[N+](=O)[O-] ZINC000361155385 434814916 /nfs/dbraw/zinc/81/49/16/434814916.db2.gz PHUNHDHMHMHHOK-KGLIPLIRSA-N 1 1 305.422 3.243 20 5 DGBDMO C/C(=C/c1cccc([N+](=O)[O-])c1)C[N@H+]1CC[C@@H](n2cccn2)C1 ZINC000361239743 434838329 /nfs/dbraw/zinc/83/83/29/434838329.db2.gz XQSMNHJVKXUTNE-OOXMNIKJSA-N 1 1 312.373 3.142 20 5 DGBDMO Cc1cc([N+](=O)[O-])ccc1NC(=O)C[N@H+]1CCCCC(C)(C)C1 ZINC000446074118 434846251 /nfs/dbraw/zinc/84/62/51/434846251.db2.gz QRMAQSVJDYPGAR-UHFFFAOYSA-N 1 1 319.405 3.354 20 5 DGBDMO Cc1nn(C)cc1[C@H]1CCC[N@H+]1CCc1ccc([N+](=O)[O-])cc1 ZINC000372737045 434850619 /nfs/dbraw/zinc/85/06/19/434850619.db2.gz DDFLGGNMQSJLBN-QGZVFWFLSA-N 1 1 314.389 3.016 20 5 DGBDMO Cc1c(NC(=O)[C@H](C)[N@H+]2CC(C)(C)C[C@H]2C)cccc1[N+](=O)[O-] ZINC000412041496 434859078 /nfs/dbraw/zinc/85/90/78/434859078.db2.gz LMNVYZOKYAYGGI-YPMHNXCESA-N 1 1 319.405 3.351 20 5 DGBDMO Cc1cc(N[C@H]2CC[N@H+](C3CCCC3)C2)c(F)cc1[N+](=O)[O-] ZINC000461968687 434895254 /nfs/dbraw/zinc/89/52/54/434895254.db2.gz BMOBYNKTIQJJSW-LBPRGKRZSA-N 1 1 307.369 3.471 20 5 DGBDMO C[N@@H+](CCc1cccc([N+](=O)[O-])c1)Cc1nc2ccccc2o1 ZINC000554847738 434947237 /nfs/dbraw/zinc/94/72/37/434947237.db2.gz DOKZNDZYOYJHLQ-UHFFFAOYSA-N 1 1 311.341 3.411 20 5 DGBDMO O=[N+]([O-])c1ccc2c(c1)C[N@@H+](C[C@@H]1CCC3(CCCC3)O1)CC2 ZINC000554825510 434947574 /nfs/dbraw/zinc/94/75/74/434947574.db2.gz TUFJGWBAKHOGIL-KRWDZBQOSA-N 1 1 316.401 3.445 20 5 DGBDMO O=[N+]([O-])c1ccc2c(c1)C[N@H+](C[C@@H]1CCC3(CCCC3)O1)CC2 ZINC000554825510 434947577 /nfs/dbraw/zinc/94/75/77/434947577.db2.gz TUFJGWBAKHOGIL-KRWDZBQOSA-N 1 1 316.401 3.445 20 5 DGBDMO O=[N+]([O-])c1ccc(CC[N@@H+]2CCO[C@@H](c3ccccc3)C2)cc1 ZINC000524424531 434976911 /nfs/dbraw/zinc/97/69/11/434976911.db2.gz NSPHDONZIFCVAU-GOSISDBHSA-N 1 1 312.369 3.211 20 5 DGBDMO O=[N+]([O-])c1ccc(CC[N@H+]2CCO[C@@H](c3ccccc3)C2)cc1 ZINC000524424531 434976914 /nfs/dbraw/zinc/97/69/14/434976914.db2.gz NSPHDONZIFCVAU-GOSISDBHSA-N 1 1 312.369 3.211 20 5 DGBDMO CC[C@]1(C)CCC[N@H+](CC(=O)Nc2cc([N+](=O)[O-])ccc2C)C1 ZINC000464775873 434999136 /nfs/dbraw/zinc/99/91/36/434999136.db2.gz MGMOPLQBQXINMR-QGZVFWFLSA-N 1 1 319.405 3.354 20 5 DGBDMO CC[C@]1(C)CCC[N@@H+](CC(=O)Nc2cc([N+](=O)[O-])ccc2C)C1 ZINC000464775873 434999139 /nfs/dbraw/zinc/99/91/39/434999139.db2.gz MGMOPLQBQXINMR-QGZVFWFLSA-N 1 1 319.405 3.354 20 5 DGBDMO CCC[C@H]1CCC[N@H+]([C@H](C)C(=O)Nc2ccccc2[N+](=O)[O-])C1 ZINC000466489262 435078377 /nfs/dbraw/zinc/07/83/77/435078377.db2.gz AJHGAGAMHMURIX-KGLIPLIRSA-N 1 1 319.405 3.434 20 5 DGBDMO CCC[N@H+](Cc1c([N+](=O)[O-])ncn1C)Cc1ccc(C)cc1 ZINC000531342578 435086713 /nfs/dbraw/zinc/08/67/13/435086713.db2.gz FLRPSQOXDMKCKD-UHFFFAOYSA-N 1 1 302.378 3.049 20 5 DGBDMO CCC[N@@H+](Cc1c([N+](=O)[O-])ncn1C)Cc1ccc(C)cc1 ZINC000531342578 435086716 /nfs/dbraw/zinc/08/67/16/435086716.db2.gz FLRPSQOXDMKCKD-UHFFFAOYSA-N 1 1 302.378 3.049 20 5 DGBDMO CC[C@H]1C[C@H](C)C[N@H+]1Cc1nc(-c2cccc([N+](=O)[O-])c2)no1 ZINC000466928545 435102307 /nfs/dbraw/zinc/10/23/07/435102307.db2.gz FIRGWNVBWITAKU-AAEUAGOBSA-N 1 1 316.361 3.265 20 5 DGBDMO CC(C)C[C@H]1CC[N@H+]([C@@H](C)C(=O)Nc2cccc([N+](=O)[O-])c2)C1 ZINC000467173506 435110685 /nfs/dbraw/zinc/11/06/85/435110685.db2.gz CWJMNOLNQSRGSO-UONOGXRCSA-N 1 1 319.405 3.290 20 5 DGBDMO CCC[N@H+]1CC[C@H](CN[C@H](C)c2cc([N+](=O)[O-])ccc2C)C1 ZINC000531956865 435128877 /nfs/dbraw/zinc/12/88/77/435128877.db2.gz NORPLVBVRLWTDO-HUUCEWRRSA-N 1 1 305.422 3.286 20 5 DGBDMO C[N@H+]1CCN(Cc2c(F)cccc2[N+](=O)[O-])C2(CCCCC2)C1 ZINC000471038402 435135604 /nfs/dbraw/zinc/13/56/04/435135604.db2.gz KZEIMHPSLDBEDY-UHFFFAOYSA-N 1 1 321.396 3.184 20 5 DGBDMO CCOC(=O)C1([N@H+](C)Cc2ccc([N+](=O)[O-])cc2)CCCCC1 ZINC000533077816 435209749 /nfs/dbraw/zinc/20/97/49/435209749.db2.gz GTYSYDOEBRIZIC-UHFFFAOYSA-N 1 1 320.389 3.293 20 5 DGBDMO CCOC(=O)C1([N@@H+](C)Cc2ccc([N+](=O)[O-])cc2)CCCCC1 ZINC000533077816 435209755 /nfs/dbraw/zinc/20/97/55/435209755.db2.gz GTYSYDOEBRIZIC-UHFFFAOYSA-N 1 1 320.389 3.293 20 5 DGBDMO O=[N+]([O-])c1ccccc1OCC[N@H+]1CC[C@@H](c2ccccc2)C1 ZINC000477245090 435265545 /nfs/dbraw/zinc/26/55/45/435265545.db2.gz WLGOHUVSLLQETE-MRXNPFEDSA-N 1 1 312.369 3.463 20 5 DGBDMO COc1cc(C[N@@H+](C)[C@@H](C)C(C)(C)C)c([N+](=O)[O-])cc1OC ZINC000534349883 435284983 /nfs/dbraw/zinc/28/49/83/435284983.db2.gz NOXPAHQTKVFHPM-NSHDSACASA-N 1 1 310.394 3.478 20 5 DGBDMO O=[N+]([O-])c1cccc(OCC[N@H+]2CC[C@@H](c3ccccc3)C2)c1 ZINC000477288270 435263331 /nfs/dbraw/zinc/26/33/31/435263331.db2.gz DHKLVSDDDOXLTO-MRXNPFEDSA-N 1 1 312.369 3.463 20 5 DGBDMO O=[N+]([O-])c1cccc(OCC[N@H+]2CC[C@H]2Cc2ccccc2)c1 ZINC000479127978 435319928 /nfs/dbraw/zinc/31/99/28/435319928.db2.gz MPKDBZXWULHKHG-INIZCTEOSA-N 1 1 312.369 3.291 20 5 DGBDMO C[C@H](CCN(C)C)[NH2+][C@@H]1CCC[C@H]1Cc1ccccc1[N+](=O)[O-] ZINC000513789840 435403339 /nfs/dbraw/zinc/40/33/39/435403339.db2.gz ODJUVBBCKAAJHC-HLLBOEOZSA-N 1 1 319.449 3.236 20 5 DGBDMO CC[C@H]1CC[C@@H](C)[N@H+]1CCOc1ccc(OC)cc1[N+](=O)[O-] ZINC000536745147 435409792 /nfs/dbraw/zinc/40/97/92/435409792.db2.gz GXVZNFLBEBDMKU-OLZOCXBDSA-N 1 1 308.378 3.245 20 5 DGBDMO COc1cc(C[N@@H+](CC2CC2)C(C)C)c([N+](=O)[O-])cc1OC ZINC000536639980 435396064 /nfs/dbraw/zinc/39/60/64/435396064.db2.gz DOJHFGSYOYXEQE-UHFFFAOYSA-N 1 1 308.378 3.232 20 5 DGBDMO C[C@@H]1C[C@H](C)[N@@H+](Cc2cc([N+](=O)[O-])ccc2OC(F)F)C1 ZINC000536661694 435398499 /nfs/dbraw/zinc/39/84/99/435398499.db2.gz CHKHWZLIBYVXMZ-ZJUUUORDSA-N 1 1 300.305 3.427 20 5 DGBDMO Cc1cc(N2CC[C@@H](C[N@@H+](C)CC3CC3)C2)ccc1[N+](=O)[O-] ZINC000537828675 435468251 /nfs/dbraw/zinc/46/82/51/435468251.db2.gz ZDUGSGNNTOOZNG-HNNXBMFYSA-N 1 1 303.406 3.071 20 5 DGBDMO CC(C)[N@H+]1CCC[C@@H](CN[C@H]2CCc3c2cccc3[N+](=O)[O-])C1 ZINC000568767984 435471072 /nfs/dbraw/zinc/47/10/72/435471072.db2.gz CHLCGRAGNWDABH-YOEHRIQHSA-N 1 1 317.433 3.292 20 5 DGBDMO O=[N+]([O-])c1ccccc1/C=C/C[N@@H+]1CCOC[C@H]1C1CCC1 ZINC000516927870 435562723 /nfs/dbraw/zinc/56/27/23/435562723.db2.gz PJGCBKWXEBIASD-AUNFYEFLSA-N 1 1 302.374 3.109 20 5 DGBDMO O=[N+]([O-])c1ccccc1/C=C/C[N@H+]1CCOC[C@H]1C1CCC1 ZINC000516927870 435562728 /nfs/dbraw/zinc/56/27/28/435562728.db2.gz PJGCBKWXEBIASD-AUNFYEFLSA-N 1 1 302.374 3.109 20 5 DGBDMO Cc1ccc([N+](=O)[O-])cc1[C@H](C)N1CC[N@@H+](C)[C@@H](C(C)C)C1 ZINC000487989657 435631943 /nfs/dbraw/zinc/63/19/43/435631943.db2.gz AMOQDTFOLZKSST-WMLDXEAASA-N 1 1 305.422 3.236 20 5 DGBDMO CCCC[N@@H+](C)C[C@H](C)NC(=O)Nc1ccc(C)c([N+](=O)[O-])c1 ZINC000571121378 435678535 /nfs/dbraw/zinc/67/85/35/435678535.db2.gz KEUUWJQTKXNJQA-ZDUSSCGKSA-N 1 1 322.409 3.145 20 5 DGBDMO COc1cccc(C[N@@H+](C)CCc2cccc([N+](=O)[O-])c2)c1 ZINC000548934598 435728522 /nfs/dbraw/zinc/72/85/22/435728522.db2.gz LJBHLWIZRZGOSE-UHFFFAOYSA-N 1 1 300.358 3.278 20 5 DGBDMO CC[C@@H](CSc1ccccc1[N+](=O)[O-])[NH2+]Cc1ncccn1 ZINC000572857164 435875416 /nfs/dbraw/zinc/87/54/16/435875416.db2.gz OSDLACLXJLVJFI-LBPRGKRZSA-N 1 1 318.402 3.045 20 5 DGBDMO C/C(=C/c1cccc([N+](=O)[O-])c1)C[N@H+]1CCc2nc(C)ncc2C1 ZINC000530341832 313359665 /nfs/dbraw/zinc/35/96/65/313359665.db2.gz LHQDYDSFIIXAFK-JYRVWZFOSA-N 1 1 324.384 3.155 20 5 DGBDMO CC(C)(C)Oc1cc(NCC[N@@H+]2CC=CCC2)ccc1[N+](=O)[O-] ZINC000530482496 313374770 /nfs/dbraw/zinc/37/47/70/313374770.db2.gz QKRMSBZQHBJYOP-UHFFFAOYSA-N 1 1 319.405 3.446 20 5 DGBDMO C[C@@H](C(=O)Nc1cccc([N+](=O)[O-])c1)[N@H+]1CC[C@H](C(C)(C)C)C1 ZINC000543249558 314123844 /nfs/dbraw/zinc/12/38/44/314123844.db2.gz JPENDIZIJOGJCP-STQMWFEESA-N 1 1 319.405 3.290 20 5 DGBDMO Cc1ccc([N+](=O)[O-])cc1[C@H](C)N[C@@H]1CC[N@H+]2CCCC[C@H]12 ZINC000564508146 315179734 /nfs/dbraw/zinc/17/97/34/315179734.db2.gz BJXQWNIUQAHQLH-IAOVAPTHSA-N 1 1 303.406 3.181 20 5 DGBDMO Cc1ccc([N+](=O)[O-])cc1[C@H](C)[NH2+][C@@H]1CCN2CCCC[C@H]12 ZINC000564508146 315179735 /nfs/dbraw/zinc/17/97/35/315179735.db2.gz BJXQWNIUQAHQLH-IAOVAPTHSA-N 1 1 303.406 3.181 20 5 DGBDMO COc1cc(F)c(C[NH2+]Cc2ccc([N+](=O)[O-])cc2)cc1OC ZINC000564574927 315183943 /nfs/dbraw/zinc/18/39/43/315183943.db2.gz GCHIKKNSUYTHCR-UHFFFAOYSA-N 1 1 320.320 3.041 20 5 DGBDMO CCCC[N@@H+](C)C[C@@H](C)N[C@H]1CCc2c1cccc2[N+](=O)[O-] ZINC000566019444 315305356 /nfs/dbraw/zinc/30/53/56/315305356.db2.gz ILNHPVXAFCURRB-CJNGLKHVSA-N 1 1 305.422 3.292 20 5 DGBDMO CCCCN(C)C[C@@H](C)[NH2+][C@H]1CCc2c1cccc2[N+](=O)[O-] ZINC000566019444 315305357 /nfs/dbraw/zinc/30/53/57/315305357.db2.gz ILNHPVXAFCURRB-CJNGLKHVSA-N 1 1 305.422 3.292 20 5 DGBDMO O=[N+]([O-])c1cccc2c1CC[C@@H]2[NH2+][C@H]1COc2ccc(F)cc21 ZINC000572661309 315808991 /nfs/dbraw/zinc/80/89/91/315808991.db2.gz DBUUOLSEHSDNTA-GJZGRUSLSA-N 1 1 314.316 3.445 20 5 DGBDMO O=[N+]([O-])c1ccc([C@H]2CCC[N@H+](Cc3ncccc3O)C2)cc1 ZINC000578113308 316303976 /nfs/dbraw/zinc/30/39/76/316303976.db2.gz FKAMUGGSHKIQDM-AWEZNQCLSA-N 1 1 313.357 3.075 20 5 DGBDMO CC[C@H]([NH2+]Cc1cc([N+](=O)[O-])ccc1OC)c1c(C)noc1C ZINC000182400478 323296975 /nfs/dbraw/zinc/29/69/75/323296975.db2.gz ZRUHPRGKEHCBHO-AWEZNQCLSA-N 1 1 319.361 3.449 20 5 DGBDMO C[C@@H]1C[N@@H+](CC(=O)Nc2ccccc2[N+](=O)[O-])[C@H]2CCCC[C@H]12 ZINC000182503115 323302427 /nfs/dbraw/zinc/30/24/27/323302427.db2.gz SLQVKGQSXLXZST-NFAWXSAZSA-N 1 1 317.389 3.044 20 5 DGBDMO C[N@@H+](CCN[C@@H]1CCCc2ccc([N+](=O)[O-])cc21)C1CCCC1 ZINC000582944076 324294122 /nfs/dbraw/zinc/29/41/22/324294122.db2.gz FBHOAUQMSDQVQS-GOSISDBHSA-N 1 1 317.433 3.436 20 5 DGBDMO CN(CC[NH2+][C@@H]1CCCc2ccc([N+](=O)[O-])cc21)C1CCCC1 ZINC000582944076 324294125 /nfs/dbraw/zinc/29/41/25/324294125.db2.gz FBHOAUQMSDQVQS-GOSISDBHSA-N 1 1 317.433 3.436 20 5 DGBDMO Cc1ccc(CN2CC[N@H+]([C@@H]3C[C@H]3C)C[C@@H](C)C2)cc1[N+](=O)[O-] ZINC000430119377 533931779 /nfs/dbraw/zinc/93/17/79/533931779.db2.gz GFVBRQYYOMIYPK-YSVLISHTSA-N 1 1 317.433 3.065 20 5 DGBDMO C[C@@H]1Cc2[nH+]cn(Cc3ccc([N+](=O)[O-])c(F)c3)c2C[C@H]1C ZINC000295672048 534089344 /nfs/dbraw/zinc/08/93/44/534089344.db2.gz BJZQXOFKCKVPGD-GHMZBOCLSA-N 1 1 303.337 3.350 20 5 DGBDMO C[C@@H]1CC[C@@H]([N@@H+](CCO)Cc2ccc([N+](=O)[O-])cc2Cl)C1 ZINC000330867226 534175239 /nfs/dbraw/zinc/17/52/39/534175239.db2.gz VODYGPABHJSQOQ-DGCLKSJQSA-N 1 1 312.797 3.231 20 5 DGBDMO Cc1ccc(-c2noc(C[N@@H+]3[C@H](C)CC[C@@H]3C)n2)cc1[N+](=O)[O-] ZINC000443207107 534232252 /nfs/dbraw/zinc/23/22/52/534232252.db2.gz YOILXIHGQPQMJH-TXEJJXNPSA-N 1 1 316.361 3.326 20 5 DGBDMO CC(C)[C@@H]1C[N@H+](Cc2nc3cc([N+](=O)[O-])ccc3o2)CCS1 ZINC000177164135 528750724 /nfs/dbraw/zinc/75/07/24/528750724.db2.gz UZPANDWKVJPDAQ-AWEZNQCLSA-N 1 1 321.402 3.309 20 5 DGBDMO CC(C)[C@@H]1C[N@@H+](Cc2nc3cc([N+](=O)[O-])ccc3o2)CCS1 ZINC000177164135 528750726 /nfs/dbraw/zinc/75/07/26/528750726.db2.gz UZPANDWKVJPDAQ-AWEZNQCLSA-N 1 1 321.402 3.309 20 5 DGBDMO CC[C@@H]1CCC[N@@H+](Cc2nc3cc([N+](=O)[O-])ccc3[nH]2)CC1 ZINC000444640852 529298828 /nfs/dbraw/zinc/29/88/28/529298828.db2.gz OLYVDCDHEHCHIT-GFCCVEGCSA-N 1 1 302.378 3.483 20 5 DGBDMO CC[C@@H](C)[N@@H+](C)CCNc1ccc([N+](=O)[O-])c2ncccc12 ZINC000318697365 529343865 /nfs/dbraw/zinc/34/38/65/529343865.db2.gz CRZUJKXUJCWITL-GFCCVEGCSA-N 1 1 302.378 3.285 20 5 DGBDMO CC[C@@H]1CO[C@H](C)C[N@@H+]1C/C(C)=C/c1cccc([N+](=O)[O-])c1 ZINC000470174829 535851098 /nfs/dbraw/zinc/85/10/98/535851098.db2.gz WHJCAXIEPWUWJZ-PZLHCRFSSA-N 1 1 304.390 3.497 20 5 DGBDMO CC[C@@H]1CO[C@H](C)C[N@H+]1C/C(C)=C/c1cccc([N+](=O)[O-])c1 ZINC000470174829 535851099 /nfs/dbraw/zinc/85/10/99/535851099.db2.gz WHJCAXIEPWUWJZ-PZLHCRFSSA-N 1 1 304.390 3.497 20 5 DGBDMO CC(C)[C@@H](C)[N@@H+](C)Cn1cc(-c2ccc([N+](=O)[O-])cc2)cn1 ZINC000728898089 575192552 /nfs/dbraw/zinc/19/25/52/575192552.db2.gz WSFOVCWNGBUIBC-CYBMUJFWSA-N 1 1 302.378 3.392 20 5 DGBDMO O=[N+]([O-])c1ccc2nc(N[C@H]3CC[N@H+]4CCC[C@@H]4C3)sc2c1 ZINC000731206702 574545222 /nfs/dbraw/zinc/54/52/22/574545222.db2.gz PDMBAYJCPORCGG-WDEREUQCSA-N 1 1 318.402 3.243 20 5 DGBDMO COc1ccc([N+](=O)[O-])cc1C[N@@H+](C)CCc1ccccc1F ZINC000731669139 574554935 /nfs/dbraw/zinc/55/49/35/574554935.db2.gz BRHGHKDYLOZNMH-UHFFFAOYSA-N 1 1 318.348 3.417 20 5 DGBDMO CCCCC[N@H+](CCO)Cc1cc([N+](=O)[O-])ccc1Cl ZINC000735561677 574706149 /nfs/dbraw/zinc/70/61/49/574706149.db2.gz CBPDHMLNUSKWEO-UHFFFAOYSA-N 1 1 300.786 3.233 20 5 DGBDMO CCCCC[N@@H+](CCO)Cc1cc([N+](=O)[O-])ccc1Cl ZINC000735561677 574706151 /nfs/dbraw/zinc/70/61/51/574706151.db2.gz CBPDHMLNUSKWEO-UHFFFAOYSA-N 1 1 300.786 3.233 20 5 DGBDMO CC[C@@]1(C)CCC[N@@H+](Cn2ncc3ccc([N+](=O)[O-])cc32)C1 ZINC000743386831 575048295 /nfs/dbraw/zinc/04/82/95/575048295.db2.gz ZZJYQMDWWRNKGQ-INIZCTEOSA-N 1 1 302.378 3.414 20 5 DGBDMO CC[N@@H+](CC(C)C)Cn1cc(-c2ccc([N+](=O)[O-])cc2)cn1 ZINC000728895863 575192509 /nfs/dbraw/zinc/19/25/09/575192509.db2.gz CSELOTSZDDHBEP-UHFFFAOYSA-N 1 1 302.378 3.394 20 5 DGBDMO CC(C)[C@H]1CCC[N@@H+](C[C@@H](O)c2cccc([N+](=O)[O-])c2)CC1 ZINC000750075562 575702156 /nfs/dbraw/zinc/70/21/56/575702156.db2.gz KQCIRMJIJVIXLF-WMLDXEAASA-N 1 1 306.406 3.386 20 5 DGBDMO C[C@@H]1CC[N@@H+](Cn2cc(-c3ccc([N+](=O)[O-])cc3)cn2)[C@H]1C ZINC000751939479 575813247 /nfs/dbraw/zinc/81/32/47/575813247.db2.gz FTCVXKQYACLUHG-OLZOCXBDSA-N 1 1 300.362 3.146 20 5 DGBDMO CC[N@H+]1CC[C@@H](N(C)c2c(F)cc([N+](=O)[O-])cc2F)C[C@@H]1C ZINC000749319709 576093381 /nfs/dbraw/zinc/09/33/81/576093381.db2.gz AIGQXUNQQQBFCM-WDEREUQCSA-N 1 1 313.348 3.182 20 5 DGBDMO CC[N@H+]1CC[C@@H](N(C)c2c(F)cc([N+](=O)[O-])cc2F)C[C@H]1C ZINC000749319697 576093404 /nfs/dbraw/zinc/09/34/04/576093404.db2.gz AIGQXUNQQQBFCM-GHMZBOCLSA-N 1 1 313.348 3.182 20 5 DGBDMO O=[N+]([O-])c1ccc([C@@H](O)C[N@@H+](CCC2CC2)CC2CC2)cc1 ZINC000852717379 620642647 /nfs/dbraw/zinc/64/26/47/620642647.db2.gz IOWIDQCECWDKNP-KRWDZBQOSA-N 1 1 304.390 3.140 20 5 DGBDMO CN(C[C@H]1CCC[N@@H+](C)C1)c1ccc(C(F)F)cc1[N+](=O)[O-] ZINC000853339728 620688106 /nfs/dbraw/zinc/68/81/06/620688106.db2.gz YYOHRDLHRVPMDU-NSHDSACASA-N 1 1 313.348 3.310 20 5 DGBDMO CCc1[nH+]c(C)cn1Cc1cc([N+](=O)[O-])ccc1Br ZINC000918554002 620715157 /nfs/dbraw/zinc/71/51/57/620715157.db2.gz SEOJYAJKIPLVQN-UHFFFAOYSA-N 1 1 324.178 3.473 20 5 DGBDMO CN(c1ccc([N+](=O)[O-])cc1Cl)C1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC000804815701 617675274 /nfs/dbraw/zinc/67/52/74/617675274.db2.gz YEJSYBGMVAIVOZ-QYJAPNMZSA-N 1 1 309.797 3.310 20 5 DGBDMO CCn1cc(C[N@H+](Cc2cccc([N+](=O)[O-])c2)C2CC2)c(C)n1 ZINC000891623927 617855506 /nfs/dbraw/zinc/85/55/06/617855506.db2.gz SGTDQSCPYRTBRC-UHFFFAOYSA-N 1 1 314.389 3.284 20 5 DGBDMO CCn1cc(C[N@@H+](Cc2cccc([N+](=O)[O-])c2)C2CC2)c(C)n1 ZINC000891623927 617855514 /nfs/dbraw/zinc/85/55/14/617855514.db2.gz SGTDQSCPYRTBRC-UHFFFAOYSA-N 1 1 314.389 3.284 20 5 DGBDMO CSC[C@@H]1CCC[N@H+]1Cn1nc(C)c2ccc([N+](=O)[O-])cc21 ZINC000121267426 617941229 /nfs/dbraw/zinc/94/12/29/617941229.db2.gz FRVIRUZYPDTDQN-ZDUSSCGKSA-N 1 1 320.418 3.038 20 5 DGBDMO COc1c(O)ccc(C[N@H+]2CCC3(CCCC3)C2)c1[N+](=O)[O-] ZINC000892025771 617946607 /nfs/dbraw/zinc/94/66/07/617946607.db2.gz WDIRPNZJSQOGNB-UHFFFAOYSA-N 1 1 306.362 3.075 20 5 DGBDMO COc1c(O)ccc(C[N@@H+]2CC3(CCC3)[C@@H]2C2CC2)c1[N+](=O)[O-] ZINC000894543772 618377693 /nfs/dbraw/zinc/37/76/93/618377693.db2.gz DCQRWQDZIHASEY-INIZCTEOSA-N 1 1 318.373 3.074 20 5 DGBDMO COc1c(O)ccc(C[N@H+]2CC3(CCC3)[C@@H]2C2CC2)c1[N+](=O)[O-] ZINC000894543772 618377696 /nfs/dbraw/zinc/37/76/96/618377696.db2.gz DCQRWQDZIHASEY-INIZCTEOSA-N 1 1 318.373 3.074 20 5 DGBDMO C[C@H]([NH2+]Cc1cnn(C)c1C1CC1)c1ccccc1[N+](=O)[O-] ZINC000893279826 618495120 /nfs/dbraw/zinc/49/51/20/618495120.db2.gz RNJRJHKSMXNPAA-NSHDSACASA-N 1 1 300.362 3.057 20 5 DGBDMO Cc1ccnc(N)c1C[N@H+](Cc1ccc([N+](=O)[O-])cc1)C1CC1 ZINC000893946031 618681524 /nfs/dbraw/zinc/68/15/24/618681524.db2.gz UUDRDYKOVHVQDI-UHFFFAOYSA-N 1 1 312.373 3.045 20 5 DGBDMO Cc1ccnc(N)c1C[N@@H+](Cc1ccc([N+](=O)[O-])cc1)C1CC1 ZINC000893946031 618681525 /nfs/dbraw/zinc/68/15/25/618681525.db2.gz UUDRDYKOVHVQDI-UHFFFAOYSA-N 1 1 312.373 3.045 20 5 DGBDMO C/C(=C\c1cccc([N+](=O)[O-])c1)C[N@H+]1CC[C@H]([C@H]2CCCO2)C1 ZINC000895843288 618837803 /nfs/dbraw/zinc/83/78/03/618837803.db2.gz ATIXFEQVTUIWQK-JRIYGVKESA-N 1 1 316.401 3.499 20 5 DGBDMO O=[N+]([O-])c1ccc(C[N@H+]2CC[C@H]([C@@H]3CCCO3)C2)cc1Cl ZINC000895845740 618840742 /nfs/dbraw/zinc/84/07/42/618840742.db2.gz IDXYQPULVJVJDI-WFASDCNBSA-N 1 1 310.781 3.249 20 5 DGBDMO C[C@]12CSC[C@H]1C[N@@H+](C/C=C\c1ccccc1[N+](=O)[O-])C2 ZINC000898422979 619274554 /nfs/dbraw/zinc/27/45/54/619274554.db2.gz PSHBFJLVICRGLU-DURLZJIISA-N 1 1 304.415 3.293 20 5 DGBDMO Cc1cc(C)c([N+](=O)[O-])cc1NC(=O)[C@H]1CC[C@H]2CCCC[N@H+]21 ZINC000899936965 619384558 /nfs/dbraw/zinc/38/45/58/619384558.db2.gz KOCVAOHHQIZNDM-UKRRQHHQSA-N 1 1 317.389 3.167 20 5 DGBDMO COc1cc([C@@H](C)[NH2+][C@@H](C)c2ccns2)cc([N+](=O)[O-])c1 ZINC000903209490 619738824 /nfs/dbraw/zinc/73/88/24/619738824.db2.gz LRYFGKWNTPZJKV-ZJUUUORDSA-N 1 1 307.375 3.472 20 5 DGBDMO COc1cc([C@H](C)[NH2+][C@H](C)c2ccns2)cc([N+](=O)[O-])c1 ZINC000903209489 619738915 /nfs/dbraw/zinc/73/89/15/619738915.db2.gz LRYFGKWNTPZJKV-VHSXEESVSA-N 1 1 307.375 3.472 20 5 DGBDMO Cc1nn(CC[C@H]2CCCC[N@@H+]2C)c2ccc([N+](=O)[O-])cc12 ZINC000906502083 620103245 /nfs/dbraw/zinc/10/32/45/620103245.db2.gz FCXSREXBCAKJTM-CYBMUJFWSA-N 1 1 302.378 3.127 20 5 DGBDMO Cc1ccc([N+](=O)[O-])c(C)c1NC(=O)[C@H]1CC[C@H]2CCCC[N@H+]21 ZINC000908268959 620197298 /nfs/dbraw/zinc/19/72/98/620197298.db2.gz RYPLFHNXGDAIMI-UKRRQHHQSA-N 1 1 317.389 3.167 20 5 DGBDMO CC(C)CC[N@@H+](Cn1ncc2cc([N+](=O)[O-])ccc21)C1CC1 ZINC000914566659 620542419 /nfs/dbraw/zinc/54/24/19/620542419.db2.gz KNMWXVKURJAHAL-UHFFFAOYSA-N 1 1 302.378 3.413 20 5 DGBDMO COc1ccc(C[NH2+]Cc2cc(C)cnc2Cl)cc1[N+](=O)[O-] ZINC000921611845 620913926 /nfs/dbraw/zinc/91/39/26/620913926.db2.gz LJVMVSYEFWCXEI-UHFFFAOYSA-N 1 1 321.764 3.250 20 5 DGBDMO C[C@@H]([NH2+]Cc1cnn(C2CCC2)c1)c1ccccc1[N+](=O)[O-] ZINC000921968084 620974818 /nfs/dbraw/zinc/97/48/18/620974818.db2.gz XENZNPWJWLOCKI-GFCCVEGCSA-N 1 1 300.362 3.367 20 5 DGBDMO Cc1ccc(C[NH2+]Cc2c(Cl)n[nH]c2C2CC2)cc1[N+](=O)[O-] ZINC000922316713 621022804 /nfs/dbraw/zinc/02/28/04/621022804.db2.gz RTANFNRKUHUYID-UHFFFAOYSA-N 1 1 320.780 3.447 20 5 DGBDMO Cc1ccc([N+](=O)[O-])c(C)c1C[NH2+]Cc1nc2c(s1)CCC2 ZINC000922470978 621040874 /nfs/dbraw/zinc/04/08/74/621040874.db2.gz DEWINYMQXFMBFM-UHFFFAOYSA-N 1 1 317.414 3.447 20 5 DGBDMO O=[N+]([O-])c1ccccc1/C=C/C[NH2+][C@H](c1ncccn1)C1CC1 ZINC000922581230 621060936 /nfs/dbraw/zinc/06/09/36/621060936.db2.gz SIAYYLUCEHIOAO-GIZXNFQBSA-N 1 1 310.357 3.139 20 5 DGBDMO CC(C)C[N@H+](Cc1cnn(C)c1)Cc1cc(F)ccc1[N+](=O)[O-] ZINC000839133544 621339036 /nfs/dbraw/zinc/33/90/36/621339036.db2.gz UUKRCTLQYFZCPO-UHFFFAOYSA-N 1 1 320.368 3.126 20 5 DGBDMO CC(C)C[N@@H+](Cc1cnn(C)c1)Cc1cc(F)ccc1[N+](=O)[O-] ZINC000839133544 621339037 /nfs/dbraw/zinc/33/90/37/621339037.db2.gz UUKRCTLQYFZCPO-UHFFFAOYSA-N 1 1 320.368 3.126 20 5 DGBDMO O=[N+]([O-])c1ccc(Cl)c(C[N@H+]2CCCC[C@H]2C2(O)CC2)c1 ZINC000839141081 621340076 /nfs/dbraw/zinc/34/00/76/621340076.db2.gz XWHXZTQZYQIPOU-AWEZNQCLSA-N 1 1 310.781 3.128 20 5 DGBDMO O=[N+]([O-])c1ccc(Cl)c(C[N@@H+]2CCCC[C@H]2C2(O)CC2)c1 ZINC000839141081 621340079 /nfs/dbraw/zinc/34/00/79/621340079.db2.gz XWHXZTQZYQIPOU-AWEZNQCLSA-N 1 1 310.781 3.128 20 5 DGBDMO CCC1CCC([N@@H+](CCO)Cc2cc(F)ccc2[N+](=O)[O-])CC1 ZINC000753814608 621466806 /nfs/dbraw/zinc/46/68/06/621466806.db2.gz HGTXHRSLNNXNNS-UHFFFAOYSA-N 1 1 324.396 3.497 20 5 DGBDMO COCC(C)(C)C[N@@H+](C)Cc1cc([N+](=O)[O-])ccc1Cl ZINC000756076476 621613496 /nfs/dbraw/zinc/61/34/96/621613496.db2.gz MOGSEPYORVEXLA-UHFFFAOYSA-N 1 1 300.786 3.353 20 5 DGBDMO Cc1cc(C)c(COc2ccc([N+](=O)[O-])cc2C=O)c(C)[nH+]1 ZINC000865345879 621898222 /nfs/dbraw/zinc/89/82/22/621898222.db2.gz BEZBSRYKLDXHMI-UHFFFAOYSA-N 1 1 300.314 3.307 20 5 DGBDMO O=C(C[NH+]1CCC2(CC2)CC1)Nc1cc(Cl)ccc1[N+](=O)[O-] ZINC000761061789 621983566 /nfs/dbraw/zinc/98/35/66/621983566.db2.gz GVOCFQGVSHHVLH-UHFFFAOYSA-N 1 1 323.780 3.063 20 5 DGBDMO O=[N+]([O-])c1ccc(N[C@H]2CCc3c[nH+]cn3C2)c(C(F)F)c1 ZINC000865794783 621997088 /nfs/dbraw/zinc/99/70/88/621997088.db2.gz YDNJQSCTXIXSAB-VIFPVBQESA-N 1 1 308.288 3.156 20 5 DGBDMO Cc1nn(C[N@@H+]2CCC[C@H]2C(C)C)c2cc([N+](=O)[O-])ccc12 ZINC000761287732 621998996 /nfs/dbraw/zinc/99/89/96/621998996.db2.gz AYWYUNDSAJAGMX-HNNXBMFYSA-N 1 1 302.378 3.331 20 5 DGBDMO CC[C@@H]1C[N@@H+](C)CCCN1c1nc2ccc([N+](=O)[O-])cc2s1 ZINC000865925633 622021371 /nfs/dbraw/zinc/02/13/71/622021371.db2.gz KKVKBZDIODOEPO-LLVKDONJSA-N 1 1 320.418 3.125 20 5 DGBDMO CC(C)N1CCC([NH2+][C@H](C)Cc2ccc(F)cc2[N+](=O)[O-])CC1 ZINC000866290419 622086108 /nfs/dbraw/zinc/08/61/08/622086108.db2.gz XPNPGFDCKHNVGN-CYBMUJFWSA-N 1 1 323.412 3.127 20 5 DGBDMO Cc1c([C@@H](C)[NH2+]Cc2nn(C)cc2C(F)F)cccc1[N+](=O)[O-] ZINC000866568200 622140336 /nfs/dbraw/zinc/14/03/36/622140336.db2.gz WTURMQYFDQELSL-SNVBAGLBSA-N 1 1 324.331 3.425 20 5 DGBDMO Cc1c(CN2CC[C@](C[NH3+])(C(C)(C)C)C2)cccc1[N+](=O)[O-] ZINC000866702986 622158220 /nfs/dbraw/zinc/15/82/20/622158220.db2.gz FZVBEOLITDKDRE-QGZVFWFLSA-N 1 1 305.422 3.100 20 5 DGBDMO C[C@H](c1cccc([N+](=O)[O-])c1)N1CC[C@@](C[NH3+])(C(C)(C)C)C1 ZINC000866704658 622158304 /nfs/dbraw/zinc/15/83/04/622158304.db2.gz PYJRNJONWACTPX-DYVFJYSZSA-N 1 1 305.422 3.353 20 5 DGBDMO Cc1nn(C[N@@H+]2CCC[C@H]2C(C)C)c2ccc([N+](=O)[O-])cc12 ZINC000764914624 622232507 /nfs/dbraw/zinc/23/25/07/622232507.db2.gz IVXVIXCXFFDUJZ-HNNXBMFYSA-N 1 1 302.378 3.331 20 5 DGBDMO C[C@H](C[C@H]1CCCC[N@H+]1C)OC(=O)c1ccccc1[N+](=O)[O-] ZINC000870789908 622511195 /nfs/dbraw/zinc/51/11/95/622511195.db2.gz ZMTBAPHTNPBSBS-CHWSQXEVSA-N 1 1 306.362 3.015 20 5 DGBDMO CC[N@@H+](C)Cc1cccc(CNc2ccnc(F)c2[N+](=O)[O-])c1 ZINC000881837437 625575438 /nfs/dbraw/zinc/57/54/38/625575438.db2.gz SQOVRVRDUBKDPM-UHFFFAOYSA-N 1 1 318.352 3.193 20 5 DGBDMO C[C@H]([NH2+]C[C@H](O)c1ccccc1F)c1c(F)cccc1[N+](=O)[O-] ZINC000872024471 622757954 /nfs/dbraw/zinc/75/79/54/622757954.db2.gz SGVXDBXCUOZZTM-BONVTDFDSA-N 1 1 322.311 3.257 20 5 DGBDMO CCC[N@H+]1CC[C@@H](CN[C@H](C)c2c(F)cccc2[N+](=O)[O-])C1 ZINC000872024935 622759027 /nfs/dbraw/zinc/75/90/27/622759027.db2.gz XNBJIKFMHKMESS-OLZOCXBDSA-N 1 1 309.385 3.116 20 5 DGBDMO C[C@@H]([NH2+]C[C@@H](O)c1ccsc1)c1c(F)cccc1[N+](=O)[O-] ZINC000872038009 622767637 /nfs/dbraw/zinc/76/76/37/622767637.db2.gz JSESKZIUGOTGGX-NOZJJQNGSA-N 1 1 310.350 3.180 20 5 DGBDMO Cc1cc(C[C@@H](C)[NH2+][C@@H](C)c2c(F)cccc2[N+](=O)[O-])n[nH]1 ZINC000872049960 622775654 /nfs/dbraw/zinc/77/56/54/622775654.db2.gz XNVGYKKPOGMAMT-KOLCDFICSA-N 1 1 306.341 3.047 20 5 DGBDMO Cc1cc(C[C@H](C)[NH2+][C@@H](C)c2c(F)cccc2[N+](=O)[O-])n[nH]1 ZINC000872049962 622775935 /nfs/dbraw/zinc/77/59/35/622775935.db2.gz XNVGYKKPOGMAMT-ONGXEEELSA-N 1 1 306.341 3.047 20 5 DGBDMO C[C@@H](NC[C@H]1CC[N@H+]1C(C)(C)C)c1c(F)cccc1[N+](=O)[O-] ZINC000872086238 622796975 /nfs/dbraw/zinc/79/69/75/622796975.db2.gz VPOXABAVMYBKTH-VXGBXAGGSA-N 1 1 309.385 3.257 20 5 DGBDMO C[C@@H]([NH2+]C[C@H]1CCN1C(C)(C)C)c1c(F)cccc1[N+](=O)[O-] ZINC000872086238 622796979 /nfs/dbraw/zinc/79/69/79/622796979.db2.gz VPOXABAVMYBKTH-VXGBXAGGSA-N 1 1 309.385 3.257 20 5 DGBDMO Cc1ccc([N+](=O)[O-])cc1[C@@H](C)[NH2+][C@@H](C)c1nccnc1C ZINC000872135875 622827439 /nfs/dbraw/zinc/82/74/39/622827439.db2.gz YLWZLHZTALBQGA-YPMHNXCESA-N 1 1 300.362 3.413 20 5 DGBDMO Cc1ccc([N+](=O)[O-])c(C)c1C[NH2+]Cc1nccn1C(F)F ZINC000873028682 623021677 /nfs/dbraw/zinc/02/16/77/623021677.db2.gz XQYOJGJVRAGKHS-UHFFFAOYSA-N 1 1 310.304 3.093 20 5 DGBDMO Cc1ccc([N+](=O)[O-])c(C)c1C[NH2+][C@H]1C[C@H](C)n2ccnc21 ZINC000873129911 623042738 /nfs/dbraw/zinc/04/27/38/623042738.db2.gz UAIAHTGBPDUHJV-FZMZJTMJSA-N 1 1 300.362 3.204 20 5 DGBDMO CCn1ccnc1[C@H](C)[NH2+]Cc1c(C)ccc([N+](=O)[O-])c1C ZINC000873130046 623043093 /nfs/dbraw/zinc/04/30/93/623043093.db2.gz WRUDMVUMJDVOGV-ZDUSSCGKSA-N 1 1 302.378 3.279 20 5 DGBDMO C[C@@H]1CCC[N@H+](Cn2ncc3cc([N+](=O)[O-])cc(Cl)c32)C1 ZINC000774636694 623168915 /nfs/dbraw/zinc/16/89/15/623168915.db2.gz WRFBRQODBYATRY-SNVBAGLBSA-N 1 1 308.769 3.287 20 5 DGBDMO C[C@@H]1CCC[N@@H+](Cn2ncc3cc([N+](=O)[O-])cc(Cl)c32)C1 ZINC000774636694 623168918 /nfs/dbraw/zinc/16/89/18/623168918.db2.gz WRFBRQODBYATRY-SNVBAGLBSA-N 1 1 308.769 3.287 20 5 DGBDMO CN(CC[C@@H]1CCC[N@H+]1C)Cc1cc([N+](=O)[O-])ccc1Cl ZINC000124842976 623244606 /nfs/dbraw/zinc/24/46/06/623244606.db2.gz KTOKZFCRACNJHB-ZDUSSCGKSA-N 1 1 311.813 3.164 20 5 DGBDMO C[N@H+](Cc1ccccc1Cl)C[C@H](O)c1ccc([N+](=O)[O-])cc1 ZINC000776272493 623405082 /nfs/dbraw/zinc/40/50/82/623405082.db2.gz UIWSXQMIZSANET-INIZCTEOSA-N 1 1 320.776 3.414 20 5 DGBDMO CC[N@H+](Cc1cccs1)C[C@@H](O)c1ccc([N+](=O)[O-])cc1 ZINC000776271351 623405234 /nfs/dbraw/zinc/40/52/34/623405234.db2.gz LGBUDXNGLOMXAR-OAHLLOKOSA-N 1 1 306.387 3.212 20 5 DGBDMO C[C@H]1c2ccsc2CC[N@@H+]1C[C@H](O)c1ccc([N+](=O)[O-])cc1 ZINC000776275172 623405292 /nfs/dbraw/zinc/40/52/92/623405292.db2.gz JMHVKWAELABVMX-NHYWBVRUSA-N 1 1 318.398 3.309 20 5 DGBDMO Cc1cccc(C[N@@H+](C)C[C@H](O)c2ccc([N+](=O)[O-])cc2)c1 ZINC000776276412 623406226 /nfs/dbraw/zinc/40/62/26/623406226.db2.gz JQEITHBFLQQPSV-KRWDZBQOSA-N 1 1 300.358 3.069 20 5 DGBDMO O=[N+]([O-])c1ccc([C@H](O)C[N@H+]2CC[C@@H](c3ccccc3)C2)cc1 ZINC000776578164 623442199 /nfs/dbraw/zinc/44/21/99/623442199.db2.gz DRTIXCGBOQJWIQ-SJLPKXTDSA-N 1 1 312.369 3.118 20 5 DGBDMO CC(C)[C@@H]1CCC[N@@H+](C[C@H](O)c2ccc([N+](=O)[O-])cc2)CC1 ZINC000776584294 623443370 /nfs/dbraw/zinc/44/33/70/623443370.db2.gz KJMOSKXPLBIJJO-PBHICJAKSA-N 1 1 306.406 3.386 20 5 DGBDMO C[C@@H](C[N@@H+](C)C[C@H](O)c1ccc([N+](=O)[O-])cc1)c1ccccc1 ZINC000776581887 623443443 /nfs/dbraw/zinc/44/34/43/623443443.db2.gz OINDBKKVYOWWMA-KSSFIOAISA-N 1 1 314.385 3.364 20 5 DGBDMO CCSCC[C@@H](C)[N@@H+](C)C[C@@H](O)c1ccc([N+](=O)[O-])cc1 ZINC000776590067 623443962 /nfs/dbraw/zinc/44/39/62/623443962.db2.gz BAYKZRFVNGSTEF-IUODEOHRSA-N 1 1 312.435 3.092 20 5 DGBDMO C[C@@H](c1cccc(O)c1)[N@@H+](C)C[C@H](O)c1ccc([N+](=O)[O-])cc1 ZINC000776593117 623445214 /nfs/dbraw/zinc/44/52/14/623445214.db2.gz PDAZGSYXSDQFSZ-SJCJKPOMSA-N 1 1 316.357 3.027 20 5 DGBDMO CC[C@H](C)C[N@@H+](C)Cn1cc(-c2cccc([N+](=O)[O-])c2)cn1 ZINC000777955574 623590171 /nfs/dbraw/zinc/59/01/71/623590171.db2.gz PHWDJVDJUMYCIW-ZDUSSCGKSA-N 1 1 302.378 3.394 20 5 DGBDMO CC(C)CC[N@@H+](C)Cn1cc(-c2cccc([N+](=O)[O-])c2)cn1 ZINC000777953144 623590214 /nfs/dbraw/zinc/59/02/14/623590214.db2.gz APLBZIVUIFYDBE-UHFFFAOYSA-N 1 1 302.378 3.394 20 5 DGBDMO Cc1ccc([N+](=O)[O-])c(C)c1C[N@H+]1CCC[C@]1(C)CCCO ZINC000877528609 623925924 /nfs/dbraw/zinc/92/59/24/623925924.db2.gz FRGDBYDMPXRTOK-QGZVFWFLSA-N 1 1 306.406 3.339 20 5 DGBDMO CC(C)[C@H]1CCC[N@@H+](Cn2ncc3cc([N+](=O)[O-])ccc32)C1 ZINC000780497550 623939512 /nfs/dbraw/zinc/93/95/12/623939512.db2.gz LJJYASQVMJHNEF-ZDUSSCGKSA-N 1 1 302.378 3.270 20 5 DGBDMO Cn1ccnc1[C@H]([NH2+]CCC1CCC1)c1cccc([N+](=O)[O-])c1 ZINC000780769050 623981453 /nfs/dbraw/zinc/98/14/53/623981453.db2.gz WQAWLTLXMOOUBX-MRXNPFEDSA-N 1 1 314.389 3.198 20 5 DGBDMO CC(C)[C@@H]1C[N@@H+](C)CCN1Cc1ccc(Cl)c([N+](=O)[O-])c1 ZINC000780901989 623995072 /nfs/dbraw/zinc/99/50/72/623995072.db2.gz KFWOIIARDLHTPY-HNNXBMFYSA-N 1 1 311.813 3.020 20 5 DGBDMO O=[N+]([O-])c1ccc(Cl)c(C[N@H+]2CC[C@H]3CSC[C@@H]3C2)c1 ZINC000877739598 624012152 /nfs/dbraw/zinc/01/21/52/624012152.db2.gz ORAKWRIHMJTAIC-JQWIXIFHSA-N 1 1 312.822 3.433 20 5 DGBDMO OC[C@H]1C[N@@H+](Cc2c3ccccc3cc3ccccc32)C[C@H]1CO ZINC000877764784 624027526 /nfs/dbraw/zinc/02/75/26/624027526.db2.gz PBXPLVKWQAISAA-HDICACEKSA-N 1 1 321.420 3.026 20 5 DGBDMO Cc1csc([C@H]2CC[N@@H+](Cc3cccc([N+](=O)[O-])c3)C2)n1 ZINC000877813596 624046389 /nfs/dbraw/zinc/04/63/89/624046389.db2.gz MUHSWOOLQOKWQD-ZDUSSCGKSA-N 1 1 303.387 3.349 20 5 DGBDMO C[C@H]1C[N@H+](Cc2ccccc2[N+](=O)[O-])CC[C@H](C(F)(F)F)O1 ZINC000877824689 624058110 /nfs/dbraw/zinc/05/81/10/624058110.db2.gz UNDSUSAYVKWLAQ-GXFFZTMASA-N 1 1 318.295 3.137 20 5 DGBDMO C[C@H]1C[N@@H+](Cc2ccccc2[N+](=O)[O-])CC[C@H](C(F)(F)F)O1 ZINC000877824689 624058115 /nfs/dbraw/zinc/05/81/15/624058115.db2.gz UNDSUSAYVKWLAQ-GXFFZTMASA-N 1 1 318.295 3.137 20 5 DGBDMO CC(C)C[N@@H+](Cc1nnc(-c2ccccc2[N+](=O)[O-])o1)C1CC1 ZINC000877958771 624111054 /nfs/dbraw/zinc/11/10/54/624111054.db2.gz XFGBJDPIOLOLQT-UHFFFAOYSA-N 1 1 316.361 3.265 20 5 DGBDMO C[C@@H]1CCC[N@@H+](Cc2nnc(-c3ccccc3[N+](=O)[O-])o2)CC1 ZINC000878002305 624131458 /nfs/dbraw/zinc/13/14/58/624131458.db2.gz UOSOBXKYQAGFGC-GFCCVEGCSA-N 1 1 316.361 3.267 20 5 DGBDMO Cn1cc(C[N@@H+]2CCCC[C@@H]2c2ccccc2)c([N+](=O)[O-])n1 ZINC000878433510 624276508 /nfs/dbraw/zinc/27/65/08/624276508.db2.gz FTXHLYKAKXWDNY-OAHLLOKOSA-N 1 1 300.362 3.056 20 5 DGBDMO Cn1cc(C[N@H+]2CCCC[C@@H]2c2ccccc2)c([N+](=O)[O-])n1 ZINC000878433510 624276509 /nfs/dbraw/zinc/27/65/09/624276509.db2.gz FTXHLYKAKXWDNY-OAHLLOKOSA-N 1 1 300.362 3.056 20 5 DGBDMO CC[C@]1(CO)CCC[N@H+](Cc2ccc([N+](=O)[O-])c(Cl)c2)C1 ZINC000783680582 624382824 /nfs/dbraw/zinc/38/28/24/624382824.db2.gz RZKNKFQQXCVAQH-HNNXBMFYSA-N 1 1 312.797 3.233 20 5 DGBDMO CC[C@]1(CO)CCC[N@@H+](Cc2ccc([N+](=O)[O-])c(Cl)c2)C1 ZINC000783680582 624382826 /nfs/dbraw/zinc/38/28/26/624382826.db2.gz RZKNKFQQXCVAQH-HNNXBMFYSA-N 1 1 312.797 3.233 20 5 DGBDMO C[C@H](C(=O)OCc1ccc([N+](=O)[O-])c(F)c1)[N@@H+]1[C@H](C)CC[C@@H]1C ZINC000783778796 624395126 /nfs/dbraw/zinc/39/51/26/624395126.db2.gz SCENKCQWTINOSB-GRYCIOLGSA-N 1 1 324.352 3.038 20 5 DGBDMO C[C@H](OC(=O)C[NH+]1[C@H](C)CC[C@H]1C)c1ccccc1[N+](=O)[O-] ZINC000785733205 624720137 /nfs/dbraw/zinc/72/01/37/624720137.db2.gz OJVDERSYUVDYDJ-UPJWGTAASA-N 1 1 306.362 3.072 20 5 DGBDMO O=[N+]([O-])c1cccc(C[N@@H+]2C[C@@H]3C[C@H]2CN3c2ccccc2)c1 ZINC000880191286 624829705 /nfs/dbraw/zinc/82/97/05/624829705.db2.gz ZBBSVWPHYIEIST-ROUUACIJSA-N 1 1 309.369 3.058 20 5 DGBDMO O=[N+]([O-])c1cccc(C[N@H+]2C[C@@H]3C[C@H]2CN3c2ccccc2)c1 ZINC000880191286 624829708 /nfs/dbraw/zinc/82/97/08/624829708.db2.gz ZBBSVWPHYIEIST-ROUUACIJSA-N 1 1 309.369 3.058 20 5 DGBDMO CO[C@]1(C(F)(F)F)CC[N@@H+]([C@H](C)c2cccc([N+](=O)[O-])c2)C1 ZINC000880301853 624902652 /nfs/dbraw/zinc/90/26/52/624902652.db2.gz AEDXGZDCKIJSNG-ZWNOBZJWSA-N 1 1 318.295 3.309 20 5 DGBDMO CO[C@]1(C(F)(F)F)CC[N@H+]([C@H](C)c2cccc([N+](=O)[O-])c2)C1 ZINC000880301853 624902654 /nfs/dbraw/zinc/90/26/54/624902654.db2.gz AEDXGZDCKIJSNG-ZWNOBZJWSA-N 1 1 318.295 3.309 20 5 DGBDMO Cc1c(C[N@H+]2CC[C@@H](c3nccs3)C2)cccc1[N+](=O)[O-] ZINC000880316158 624912491 /nfs/dbraw/zinc/91/24/91/624912491.db2.gz DQXHDUNICITIJC-CYBMUJFWSA-N 1 1 303.387 3.349 20 5 DGBDMO Cc1ncc([N+](=O)[O-])n1CC[N@H+]1CCC[C@@]1(C)c1ccccc1 ZINC000880371649 624939102 /nfs/dbraw/zinc/93/91/02/624939102.db2.gz MUUWBVVVQMUWPX-KRWDZBQOSA-N 1 1 314.389 3.111 20 5 DGBDMO CC[N@@H+](Cc1cccc([N+](=O)[O-])c1)[C@H](CO)c1ccccc1 ZINC000880459217 624960134 /nfs/dbraw/zinc/96/01/34/624960134.db2.gz DCRYCKDTBFBSHM-QGZVFWFLSA-N 1 1 300.358 3.150 20 5 DGBDMO O=C(OCc1ccccc1[N+](=O)[O-])[C@H]1CCC[N@H+]1C1CCCC1 ZINC000786877313 624960681 /nfs/dbraw/zinc/96/06/81/624960681.db2.gz CWJYFKCXGOSZEO-MRXNPFEDSA-N 1 1 318.373 3.045 20 5 DGBDMO CC[N@@H+](Cc1ccc([N+](=O)[O-])c(F)c1)[C@H](CO)c1ccccc1 ZINC000880461776 624961356 /nfs/dbraw/zinc/96/13/56/624961356.db2.gz JJKIXSDRAOVDAG-QGZVFWFLSA-N 1 1 318.348 3.289 20 5 DGBDMO COCC[N@@H+](Cc1cc(F)ccc1[N+](=O)[O-])[C@H]1CC[C@@H](C)C1 ZINC000792464050 625947975 /nfs/dbraw/zinc/94/79/75/625947975.db2.gz KRSDHLJWRVBOOQ-DOMZBBRYSA-N 1 1 310.369 3.371 20 5 DGBDMO O=[N+]([O-])c1ccc(C[N@@H+]2CCc3ccc(O)cc3CC2)cc1F ZINC000801521922 626407522 /nfs/dbraw/zinc/40/75/22/626407522.db2.gz NGIRKSDEDVKMLG-UHFFFAOYSA-N 1 1 316.332 3.040 20 5 DGBDMO C[C@@H](OC(=O)CC[C@H]1CCCC[N@H+]1C)c1cccc([N+](=O)[O-])c1 ZINC000803858872 626645065 /nfs/dbraw/zinc/64/50/65/626645065.db2.gz KHKXOZQXMXNSMN-UKRRQHHQSA-N 1 1 320.389 3.464 20 5 DGBDMO CC(=O)c1cc([N+](=O)[O-])ccc1NC[C@@H](C)[N@H+]1CCC[C@@H](C)C1 ZINC000804349172 626672379 /nfs/dbraw/zinc/67/23/79/626672379.db2.gz JTZIGEIIYXECBY-CHWSQXEVSA-N 1 1 319.405 3.330 20 5 DGBDMO CC(=O)c1ccc([N+](=O)[O-])cc1NCC[N@@H+]1CCCC[C@H]1C ZINC000807926041 626778268 /nfs/dbraw/zinc/77/82/68/626778268.db2.gz FEQPWJXSSWLJSN-GFCCVEGCSA-N 1 1 305.378 3.084 20 5 DGBDMO C[N@@H+](CCCCNc1ncc([N+](=O)[O-])c2ccccc21)C1CC1 ZINC000884526457 626896154 /nfs/dbraw/zinc/89/61/54/626896154.db2.gz VDOYVVOCYHTIOJ-UHFFFAOYSA-N 1 1 314.389 3.429 20 5 DGBDMO CC[N@@H+](C)C[C@H]1CCN(c2ccc(C(F)F)cc2[N+](=O)[O-])C1 ZINC000809354811 626906364 /nfs/dbraw/zinc/90/63/64/626906364.db2.gz DYANQIIZATUFSL-LLVKDONJSA-N 1 1 313.348 3.310 20 5 DGBDMO O=[N+]([O-])c1ccnn1C[N@H+]1C[C@@H](c2ccccc2)C2(CCC2)C1 ZINC000840177192 626913699 /nfs/dbraw/zinc/91/36/99/626913699.db2.gz GZRZKOHCIVUXAL-HNNXBMFYSA-N 1 1 312.373 3.019 20 5 DGBDMO C[N@H+]1CC[C@@H]2[C@H](CCCN2Cc2cc([N+](=O)[O-])ccc2Cl)C1 ZINC000809767798 626949923 /nfs/dbraw/zinc/94/99/23/626949923.db2.gz UMRWEURBJLKJFY-MLGOLLRUSA-N 1 1 323.824 3.164 20 5 DGBDMO CC(C)[N@H+](Cc1ccc([N+](=O)[O-])cc1)C[C@@H]1C[C@]12CCOC2 ZINC000885965905 627072143 /nfs/dbraw/zinc/07/21/43/627072143.db2.gz YAXLLUKKQSHDKT-RDJZCZTQSA-N 1 1 304.390 3.232 20 5 DGBDMO C[C@H]([NH2+]Cc1cccnc1[N+](=O)[O-])c1cccc(OC(F)F)c1 ZINC000886107396 627106540 /nfs/dbraw/zinc/10/65/40/627106540.db2.gz QOUBSMGRZGZPPO-JTQLQIEISA-N 1 1 323.299 3.442 20 5 DGBDMO Cc1ccccc1[C@@H](CO)[N@H+](C)Cc1cc(F)ccc1[N+](=O)[O-] ZINC000886432396 627148610 /nfs/dbraw/zinc/14/86/10/627148610.db2.gz XIICWWAZRSRTFD-QGZVFWFLSA-N 1 1 318.348 3.208 20 5 DGBDMO Cc1ccccc1[C@@H](CO)[N@@H+](C)Cc1cc(F)ccc1[N+](=O)[O-] ZINC000886432396 627148611 /nfs/dbraw/zinc/14/86/11/627148611.db2.gz XIICWWAZRSRTFD-QGZVFWFLSA-N 1 1 318.348 3.208 20 5 DGBDMO Cc1ncc([N+](=O)[O-])n1CC[N@@H+]1CC[C@@H](C)[C@@H]1c1ccccc1 ZINC000886540161 627159534 /nfs/dbraw/zinc/15/95/34/627159534.db2.gz ABUIPLUSLQMOEF-CXAGYDPISA-N 1 1 314.389 3.183 20 5 DGBDMO Cc1ccc([N+](=O)[O-])cc1[C@H](C)[N@H+]1CC[C@H]([C@@H]2CCCO2)C1 ZINC000886822203 627208479 /nfs/dbraw/zinc/20/84/79/627208479.db2.gz NPMNSCSUCOCLDV-ZQIUZPCESA-N 1 1 304.390 3.465 20 5 DGBDMO CCC[N@@H+](CC)C[C@H](C)NCc1ccc([N+](=O)[O-])c(Cl)c1 ZINC000811520250 627287042 /nfs/dbraw/zinc/28/70/42/627287042.db2.gz MLZWRABNWLZOOL-LBPRGKRZSA-N 1 1 313.829 3.458 20 5 DGBDMO Cc1cnn([C@@H]2CC[N@H+](Cc3ccc([N+](=O)[O-])c(Cl)c3)C2)c1 ZINC000811519744 627287076 /nfs/dbraw/zinc/28/70/76/627287076.db2.gz DFMNAAUBQKZBGC-CYBMUJFWSA-N 1 1 320.780 3.200 20 5 DGBDMO Cc1cnn([C@@H]2CC[N@@H+](Cc3ccc([N+](=O)[O-])c(Cl)c3)C2)c1 ZINC000811519744 627287079 /nfs/dbraw/zinc/28/70/79/627287079.db2.gz DFMNAAUBQKZBGC-CYBMUJFWSA-N 1 1 320.780 3.200 20 5 DGBDMO C[C@H]1CN(c2ccc([N+](=O)[O-])cc2F)CC[N@H+](C2CCC2)C1 ZINC000813630783 627504429 /nfs/dbraw/zinc/50/44/29/627504429.db2.gz QZAFEHCHDFEFTL-GFCCVEGCSA-N 1 1 307.369 3.045 20 5 DGBDMO Cc1cc([N+](=O)[O-])cc(Cl)c1N1CC[C@@]2(C1)CCC[N@H+](C)C2 ZINC000814909236 627606391 /nfs/dbraw/zinc/60/63/91/627606391.db2.gz IYVFZFOVPRRIGP-INIZCTEOSA-N 1 1 323.824 3.479 20 5 DGBDMO COc1ccnc([C@@H](C)[NH2+]Cc2ccc(C)c([N+](=O)[O-])c2)c1 ZINC000926797224 627956539 /nfs/dbraw/zinc/95/65/39/627956539.db2.gz RNOBUQBUYLAULX-GFCCVEGCSA-N 1 1 301.346 3.158 20 5 DGBDMO CC(C)n1cncc1C[NH2+]Cc1cc([N+](=O)[O-])ccc1Cl ZINC000818194570 628002872 /nfs/dbraw/zinc/00/28/72/628002872.db2.gz KQLYRYGGQXUXTH-UHFFFAOYSA-N 1 1 308.769 3.315 20 5 DGBDMO C[C@@H]([NH2+]Cc1cc(C2CC2)n(C)n1)c1ccc([N+](=O)[O-])cc1 ZINC000927112096 628018186 /nfs/dbraw/zinc/01/81/86/628018186.db2.gz GEXMNRKQBHVDME-LLVKDONJSA-N 1 1 300.362 3.057 20 5 DGBDMO CCc1onc(C)c1C[NH2+][C@H](C)c1ccc([N+](=O)[O-])cc1OC ZINC000927136414 628024037 /nfs/dbraw/zinc/02/40/37/628024037.db2.gz ZWDSYGYJDNDMJS-SNVBAGLBSA-N 1 1 319.361 3.313 20 5 DGBDMO Cc1c(C[N@H+](C)C[C@](C)(O)c2ccccc2)cccc1[N+](=O)[O-] ZINC000823590394 628577496 /nfs/dbraw/zinc/57/74/96/628577496.db2.gz COAHNWUEJVHMGS-SFHVURJKSA-N 1 1 314.385 3.243 20 5 DGBDMO Cc1ccc([C@@H](C)[NH2+]Cc2cc(F)ncc2F)cc1[N+](=O)[O-] ZINC000823960690 628614188 /nfs/dbraw/zinc/61/41/88/628614188.db2.gz COGJMZUERIASKD-SNVBAGLBSA-N 1 1 307.300 3.427 20 5 DGBDMO C[N@H+](CCc1ccccc1[N+](=O)[O-])Cc1ccnc(Cl)c1F ZINC000824364200 628654980 /nfs/dbraw/zinc/65/49/80/628654980.db2.gz WEACQWRMYNWCKQ-UHFFFAOYSA-N 1 1 323.755 3.457 20 5 DGBDMO C[N@@H+](CCc1ccccc1[N+](=O)[O-])Cc1ccnc(Cl)c1F ZINC000824364200 628654983 /nfs/dbraw/zinc/65/49/83/628654983.db2.gz WEACQWRMYNWCKQ-UHFFFAOYSA-N 1 1 323.755 3.457 20 5 DGBDMO C[C@H]1CN(Cc2cc([N+](=O)[O-])ccc2Cl)CC[N@H+](C2CC2)C1 ZINC000824446484 628661160 /nfs/dbraw/zinc/66/11/60/628661160.db2.gz XTBBXXIOYNQUOY-LBPRGKRZSA-N 1 1 323.824 3.164 20 5 DGBDMO O=[N+]([O-])c1ccc(Cl)c(C[N@@H+]2CCC[C@@H]2[C@@H]2CCC[C@H]2O)c1 ZINC000824716701 628686906 /nfs/dbraw/zinc/68/69/06/628686906.db2.gz XVMGKJYVUYVNQU-NUEKZKHPSA-N 1 1 324.808 3.374 20 5 DGBDMO C[N@@H+](Cc1ccc(Cl)c([N+](=O)[O-])c1)[C@H](CO)CC(C)(C)C ZINC000825040372 628719425 /nfs/dbraw/zinc/71/94/25/628719425.db2.gz IZHTVLUQGSRQCD-LBPRGKRZSA-N 1 1 314.813 3.477 20 5 DGBDMO O=[N+]([O-])c1ccc(Cl)cc1C[N@@H+]1CCC[C@@]2(CCOC2)C1 ZINC000825134448 628731405 /nfs/dbraw/zinc/73/14/05/628731405.db2.gz ZJQGGIMXZXLPEV-OAHLLOKOSA-N 1 1 310.781 3.251 20 5 DGBDMO O=[N+]([O-])c1ccc(Cl)cc1C[N@H+]1CCC[C@@]2(CCOC2)C1 ZINC000825134448 628731407 /nfs/dbraw/zinc/73/14/07/628731407.db2.gz ZJQGGIMXZXLPEV-OAHLLOKOSA-N 1 1 310.781 3.251 20 5 DGBDMO O=[N+]([O-])c1cc(C[N@@H+]2CCC[C@]3(CCOC3)C2)ccc1Cl ZINC000825133254 628731413 /nfs/dbraw/zinc/73/14/13/628731413.db2.gz AQYBCPCCVATOMC-HNNXBMFYSA-N 1 1 310.781 3.251 20 5 DGBDMO O=[N+]([O-])c1cc(C[N@H+]2CCC[C@]3(CCOC3)C2)ccc1Cl ZINC000825133254 628731414 /nfs/dbraw/zinc/73/14/14/628731414.db2.gz AQYBCPCCVATOMC-HNNXBMFYSA-N 1 1 310.781 3.251 20 5 DGBDMO CC1(C)CCC[N@H+]1CCNCc1ccc([N+](=O)[O-])c(Cl)c1 ZINC000825332457 628751061 /nfs/dbraw/zinc/75/10/61/628751061.db2.gz XPQSENAGOPMDPX-UHFFFAOYSA-N 1 1 311.813 3.212 20 5 DGBDMO CC1(C)CCCN1CC[NH2+]Cc1ccc([N+](=O)[O-])c(Cl)c1 ZINC000825332457 628751064 /nfs/dbraw/zinc/75/10/64/628751064.db2.gz XPQSENAGOPMDPX-UHFFFAOYSA-N 1 1 311.813 3.212 20 5 DGBDMO CCC(=O)c1ccc(N(C)[C@@H]2CC[N@H+](C(C)C)C2)c([N+](=O)[O-])c1 ZINC000829571874 629170157 /nfs/dbraw/zinc/17/01/57/629170157.db2.gz AEAWRSDMSUAWFA-CQSZACIVSA-N 1 1 319.405 3.106 20 5 DGBDMO O=[N+]([O-])c1cccc([C@H](O)C[N@H+]2CCCC[C@H]2C2CCC2)c1 ZINC000830988282 629327176 /nfs/dbraw/zinc/32/71/76/629327176.db2.gz JNBNGWALXYASIY-DLBZAZTESA-N 1 1 304.390 3.283 20 5 DGBDMO C[C@@H]1CCC(C)(C)[N@H+]1CCC(=O)Nc1cc([N+](=O)[O-])ccc1F ZINC000832566093 629497342 /nfs/dbraw/zinc/49/73/42/629497342.db2.gz ZJFNFNWPLKNWSV-LLVKDONJSA-N 1 1 323.368 3.325 20 5 DGBDMO CC(C)[N@H+]1CCCC[C@@H]1COC(=O)c1ccc([N+](=O)[O-])c(F)c1 ZINC000837501806 630267548 /nfs/dbraw/zinc/26/75/48/630267548.db2.gz WVMKRFPTLGBOMQ-CYBMUJFWSA-N 1 1 324.352 3.154 20 5 DGBDMO Cc1cc(C(=O)OC[C@@H]2CCC[N@H+](C(C)C)C2)cc([N+](=O)[O-])c1 ZINC000842834071 630582155 /nfs/dbraw/zinc/58/21/55/630582155.db2.gz QJHCQXNMPRQLAF-CQSZACIVSA-N 1 1 320.389 3.180 20 5 DGBDMO O=[N+]([O-])c1ccc(C[N@@H+]2CCC[C@]3(CC3(F)F)C2)cc1F ZINC000844439013 630729697 /nfs/dbraw/zinc/72/96/97/630729697.db2.gz HGBDMFHOFLTPOJ-ZDUSSCGKSA-N 1 1 300.280 3.355 20 5 DGBDMO O=[N+]([O-])c1ccc(C[N@H+]2CCC[C@]3(CC3(F)F)C2)cc1F ZINC000844439013 630729698 /nfs/dbraw/zinc/72/96/98/630729698.db2.gz HGBDMFHOFLTPOJ-ZDUSSCGKSA-N 1 1 300.280 3.355 20 5 DGBDMO O=[N+]([O-])c1ccc(C[N@@H+]2CCC[C@@]3(CC3(F)F)C2)cc1F ZINC000844439012 630729761 /nfs/dbraw/zinc/72/97/61/630729761.db2.gz HGBDMFHOFLTPOJ-CYBMUJFWSA-N 1 1 300.280 3.355 20 5 DGBDMO O=[N+]([O-])c1ccc(C[N@H+]2CCC[C@@]3(CC3(F)F)C2)cc1F ZINC000844439012 630729762 /nfs/dbraw/zinc/72/97/62/630729762.db2.gz HGBDMFHOFLTPOJ-CYBMUJFWSA-N 1 1 300.280 3.355 20 5 DGBDMO O=[N+]([O-])c1ccc(Cl)cc1C[N@@H+]1CC[C@]2(CC2(F)F)C1 ZINC000844469967 630732894 /nfs/dbraw/zinc/73/28/94/630732894.db2.gz FOPZCFWVNHEOSI-LBPRGKRZSA-N 1 1 302.708 3.479 20 5 DGBDMO O=[N+]([O-])c1ccc(Cl)cc1C[N@H+]1CC[C@]2(CC2(F)F)C1 ZINC000844469967 630732895 /nfs/dbraw/zinc/73/28/95/630732895.db2.gz FOPZCFWVNHEOSI-LBPRGKRZSA-N 1 1 302.708 3.479 20 5 DGBDMO O=[N+]([O-])c1cc(C[N@@H+]2CC[C@]3(CC3(F)F)C2)ccc1Cl ZINC000844471825 630733178 /nfs/dbraw/zinc/73/31/78/630733178.db2.gz RTWFJWDYUZBYQJ-LBPRGKRZSA-N 1 1 302.708 3.479 20 5 DGBDMO O=[N+]([O-])c1cc(C[N@H+]2CC[C@]3(CC3(F)F)C2)ccc1Cl ZINC000844471825 630733180 /nfs/dbraw/zinc/73/31/80/630733180.db2.gz RTWFJWDYUZBYQJ-LBPRGKRZSA-N 1 1 302.708 3.479 20 5 DGBDMO C[C@H]1C[N@H+](Cn2nccc2[N+](=O)[O-])CCc2ccc(Cl)cc21 ZINC000844729442 630815559 /nfs/dbraw/zinc/81/55/59/630815559.db2.gz MUYHKNHSBPZZCN-NSHDSACASA-N 1 1 320.780 3.064 20 5 DGBDMO C[C@H]1C[N@@H+](Cn2nccc2[N+](=O)[O-])CCc2ccc(Cl)cc21 ZINC000844729442 630815564 /nfs/dbraw/zinc/81/55/64/630815564.db2.gz MUYHKNHSBPZZCN-NSHDSACASA-N 1 1 320.780 3.064 20 5 DGBDMO CCOC(C[N@@H+](CC)Cc1cccc([N+](=O)[O-])c1C)OCC ZINC000846970946 631369658 /nfs/dbraw/zinc/36/96/58/631369658.db2.gz NTWRBOIAEHKJFE-UHFFFAOYSA-N 1 1 310.394 3.124 20 5 DGBDMO CCC[N@@H+](Cn1cc(-c2ccccc2[N+](=O)[O-])cn1)C1CC1 ZINC000848478570 631667269 /nfs/dbraw/zinc/66/72/69/631667269.db2.gz OTSAJHWXHKQAKX-UHFFFAOYSA-N 1 1 300.362 3.290 20 5 DGBDMO C[C@@H](CN[C@H]1CCc2c1cccc2[N+](=O)[O-])[NH+]1CCCCC1 ZINC000848521415 631675573 /nfs/dbraw/zinc/67/55/73/631675573.db2.gz OFFHVHVBUWJHFE-BBRMVZONSA-N 1 1 303.406 3.046 20 5 DGBDMO C[C@H](CN[C@@H]1CCc2c1cccc2[N+](=O)[O-])[NH+]1CCCCC1 ZINC000848521417 631675683 /nfs/dbraw/zinc/67/56/83/631675683.db2.gz OFFHVHVBUWJHFE-CZUORRHYSA-N 1 1 303.406 3.046 20 5 DGBDMO O=[N+]([O-])c1ccc(Cl)c(CN[C@H]2CCC[N@H+]3CCCC[C@@H]23)c1 ZINC000848575491 631701845 /nfs/dbraw/zinc/70/18/45/631701845.db2.gz RILYNIAUIDYFJR-HOTGVXAUSA-N 1 1 323.824 3.355 20 5 DGBDMO O=[N+]([O-])c1ccc(Cl)c(C[NH2+][C@H]2CCCN3CCCC[C@@H]23)c1 ZINC000848575491 631701850 /nfs/dbraw/zinc/70/18/50/631701850.db2.gz RILYNIAUIDYFJR-HOTGVXAUSA-N 1 1 323.824 3.355 20 5 DGBDMO COc1cc(F)c([N+](=O)[O-])c(N[C@@H]2CCC[N@H+]3CCCC[C@H]23)c1 ZINC000848783985 631748349 /nfs/dbraw/zinc/74/83/49/631748349.db2.gz JLZRCSQCKDFWDP-UKRRQHHQSA-N 1 1 323.368 3.171 20 5 DGBDMO CCC[N@@H+](CC)Cc1ccc(C(=O)OCC(C)(C)[N+](=O)[O-])cc1 ZINC000851130445 632318395 /nfs/dbraw/zinc/31/83/95/632318395.db2.gz WRMOYDKEPOXANF-UHFFFAOYSA-N 1 1 322.405 3.131 20 5 DGBDMO O=[N+]([O-])c1ccc(C[N@H+](Cc2cccc(F)n2)C2CC2)cc1 ZINC000851883584 632513202 /nfs/dbraw/zinc/51/32/02/632513202.db2.gz VEULGRYWRFAJQE-UHFFFAOYSA-N 1 1 301.321 3.294 20 5 DGBDMO O=[N+]([O-])c1ccc(C[N@@H+](Cc2cccc(F)n2)C2CC2)cc1 ZINC000851883584 632513205 /nfs/dbraw/zinc/51/32/05/632513205.db2.gz VEULGRYWRFAJQE-UHFFFAOYSA-N 1 1 301.321 3.294 20 5 DGBDMO C[C@H]1CCC[N@@H+](Cc2cc([N+](=O)[O-])ccc2Cl)[C@H]1CCO ZINC000852457412 632605904 /nfs/dbraw/zinc/60/59/04/632605904.db2.gz RJUZQQXKRSYDAM-NHYWBVRUSA-N 1 1 312.797 3.231 20 5 DGBDMO O=[N+]([O-])c1ccc(C[N@@H+](C2CC2)C2CCCC2)c([N+](=O)[O-])c1 ZINC000792866514 660989640 /nfs/dbraw/zinc/98/96/40/660989640.db2.gz IFPVSFOKGYUEOG-UHFFFAOYSA-N 1 1 305.334 3.410 20 5 DGBDMO CC(C)[N@H+]1CC[C@@H](CNCc2ccc(Cl)cc2[N+](=O)[O-])C1 ZINC000050444028 655658955 /nfs/dbraw/zinc/65/89/55/655658955.db2.gz SNMLGVMFVSKPLZ-LBPRGKRZSA-N 1 1 311.813 3.068 20 5 DGBDMO CCOc1cc(C[NH2+][C@H](C)c2cncs2)ccc1[N+](=O)[O-] ZINC000934193290 655754575 /nfs/dbraw/zinc/75/45/75/655754575.db2.gz GBVVCWNXADQIJG-SNVBAGLBSA-N 1 1 307.375 3.301 20 5 DGBDMO C[C@@H]1C[C@H](Nc2cc(Cl)c(F)cc2[N+](=O)[O-])CC[N@H+]1C ZINC000235390938 655888791 /nfs/dbraw/zinc/88/87/91/655888791.db2.gz NXWHICIKQCDUNF-RKDXNWHRSA-N 1 1 301.749 3.282 20 5 DGBDMO C[N@@H+](Cc1cc([N+](=O)[O-])ccc1Cl)[C@H](CO)C(C)(C)C ZINC000179083264 657692396 /nfs/dbraw/zinc/69/23/96/657692396.db2.gz WOVLNXVZIIJDFA-CYBMUJFWSA-N 1 1 300.786 3.087 20 5 DGBDMO O=[N+]([O-])c1ccc2c(cnn2C[N@H+]2CCC3(CCCC3)C2)c1 ZINC000173443218 659386854 /nfs/dbraw/zinc/38/68/54/659386854.db2.gz KSEKNOKZZXCLGM-UHFFFAOYSA-N 1 1 300.362 3.168 20 5 DGBDMO CC[C@H](c1ccccc1)[C@H]1CCC[N@H+]1Cn1cc([N+](=O)[O-])cn1 ZINC000069689621 660015507 /nfs/dbraw/zinc/01/55/07/660015507.db2.gz SEHWHNPABPDDCT-IAGOWNOFSA-N 1 1 314.389 3.407 20 5 DGBDMO Cc1c(C[N@@H+]2CCC[C@H](c3ccn(C)n3)C2)cccc1[N+](=O)[O-] ZINC000932140206 661541455 /nfs/dbraw/zinc/54/14/55/661541455.db2.gz YKDGLHMJMZJINF-HNNXBMFYSA-N 1 1 314.389 3.016 20 5 DGBDMO C[C@@H](c1cccc([N+](=O)[O-])c1)[N@H+]1CCC[C@@H](c2ccn(C)n2)C1 ZINC000932140072 661541632 /nfs/dbraw/zinc/54/16/32/661541632.db2.gz VABMSCUUHFIUEI-DZGCQCFKSA-N 1 1 314.389 3.269 20 5 DGBDMO C[C@H](c1ccccc1)[C@@H]1CCC[N@H+]1CCn1cc([N+](=O)[O-])cn1 ZINC000932277523 661555924 /nfs/dbraw/zinc/55/59/24/661555924.db2.gz VODDGSRULFSVRH-PBHICJAKSA-N 1 1 314.389 3.059 20 5 DGBDMO COc1cc([N+](=O)[O-])ccc1C[NH2+][C@@H](c1ccccn1)C1CC1 ZINC000932382884 661564740 /nfs/dbraw/zinc/56/47/40/661564740.db2.gz CVYBESUDEMWFCE-QGZVFWFLSA-N 1 1 313.357 3.239 20 5 DGBDMO O=[N+]([O-])c1ccc2[nH]c(C[NH2+][C@@H](c3ccccn3)C3CC3)nc2c1 ZINC000932384280 661564935 /nfs/dbraw/zinc/56/49/35/661564935.db2.gz QPQDWYOKBVKMAT-QGZVFWFLSA-N 1 1 323.356 3.107 20 5 DGBDMO O=[N+]([O-])c1cccc(C[N@H+]2CCC[C@H](C3CCOCC3)C2)c1 ZINC000933081457 661616647 /nfs/dbraw/zinc/61/66/47/661616647.db2.gz IQATXYFYRKTDPO-INIZCTEOSA-N 1 1 304.390 3.233 20 5 DGBDMO Cc1c(C[N@H+]2CC[C@H](Cc3nccs3)C2)cccc1[N+](=O)[O-] ZINC000934336356 661698667 /nfs/dbraw/zinc/69/86/67/661698667.db2.gz ZVFQLMYRSHFXFU-CYBMUJFWSA-N 1 1 317.414 3.424 20 5 DGBDMO COc1ccc([C@H]2CCC[N@@H+]2Cc2ccccc2[N+](=O)[O-])nc1 ZINC000934341635 661699799 /nfs/dbraw/zinc/69/97/99/661699799.db2.gz OODJTNUUHXVSOG-QGZVFWFLSA-N 1 1 313.357 3.336 20 5 DGBDMO COc1ccc([C@H]2CCC[N@H+]2Cc2ccccc2[N+](=O)[O-])nc1 ZINC000934341635 661699801 /nfs/dbraw/zinc/69/98/01/661699801.db2.gz OODJTNUUHXVSOG-QGZVFWFLSA-N 1 1 313.357 3.336 20 5 DGBDMO Cc1nn(C[N@H+](C)CCCCc2ccccc2)c(C)c1[N+](=O)[O-] ZINC000193421818 662133605 /nfs/dbraw/zinc/13/36/05/662133605.db2.gz XBPKDXQYHKJJFY-UHFFFAOYSA-N 1 1 316.405 3.320 20 5 DGBDMO Cc1nn(C[N@@H+](C)CCCCc2ccccc2)c(C)c1[N+](=O)[O-] ZINC000193421818 662133606 /nfs/dbraw/zinc/13/36/06/662133606.db2.gz XBPKDXQYHKJJFY-UHFFFAOYSA-N 1 1 316.405 3.320 20 5 DGBDMO Cc1ccn2cc(C[NH2+]Cc3cccc([N+](=O)[O-])c3C)nc2c1 ZINC001620778411 1191849745 /nfs/dbraw/zinc/84/97/45/1191849745.db2.gz RPXXLWUXJIECJD-UHFFFAOYSA-N 1 1 310.357 3.149 20 5 DGBDMO C[NH2+]Cc1ccccc1CNCc1ccc(Cl)cc1[N+](=O)[O-] ZINC001578741409 1191953970 /nfs/dbraw/zinc/95/39/70/1191953970.db2.gz NTCYVMRMYGLUQS-UHFFFAOYSA-N 1 1 319.792 3.257 20 5 DGBDMO Cc1cc(Cl)c([N+](=O)[O-])cc1OC(=O)C1([NH3+])CC2(CCC2)C1 ZINC001579605345 1191981678 /nfs/dbraw/zinc/98/16/78/1191981678.db2.gz QUMXKCPEDABFMM-UHFFFAOYSA-N 1 1 324.764 3.124 20 5 DGBDMO Cc1ccc(C)c(NC(=O)[C@@](C)([NH3+])c2cccc([N+](=O)[O-])c2)c1 ZINC001579672772 1191985821 /nfs/dbraw/zinc/98/58/21/1191985821.db2.gz MUKAKVVBJUNFPH-KRWDZBQOSA-N 1 1 313.357 3.024 20 5 DGBDMO COc1cc([N+](=O)[O-])ccc1[C@@H](C)[NH2+][C@H](C)c1cnn(C)c1C ZINC001333320601 1178587791 /nfs/dbraw/zinc/58/77/91/1178587791.db2.gz DRSYMMJHTWQJLG-GHMZBOCLSA-N 1 1 318.377 3.057 20 5 DGBDMO COc1cc([N+](=O)[O-])ccc1[C@@H](C)[NH2+][C@@H](C)c1cnn(C)c1C ZINC001333320604 1178587830 /nfs/dbraw/zinc/58/78/30/1178587830.db2.gz DRSYMMJHTWQJLG-MNOVXSKESA-N 1 1 318.377 3.057 20 5 DGBDMO CN(C)[C@@H]1CCCC[C@H]1[NH2+]Cc1ccc([N+](=O)[O-])cc1Cl ZINC001342323272 1179130025 /nfs/dbraw/zinc/13/00/25/1179130025.db2.gz APDDTMLFMLNHBN-HUUCEWRRSA-N 1 1 311.813 3.211 20 5 DGBDMO CC1(C)C[N@@H+](CCC(=O)Nc2cc([N+](=O)[O-])ccc2F)C1(C)C ZINC001342337518 1179131616 /nfs/dbraw/zinc/13/16/16/1179131616.db2.gz IKRJLBUZRWKWRR-UHFFFAOYSA-N 1 1 323.368 3.183 20 5 DGBDMO Cc1[nH+]ccn1CCCSCCOc1ccccc1[N+](=O)[O-] ZINC001345152428 1179533679 /nfs/dbraw/zinc/53/36/79/1179533679.db2.gz ACOJKYDBUOBNOS-UHFFFAOYSA-N 1 1 321.402 3.302 20 5 DGBDMO O=[N+]([O-])c1ccc2c(c1)C[N@H+](C[C@H]1C[C@@H]3[C@H](C1)C3(F)F)CC2 ZINC001351144791 1180179846 /nfs/dbraw/zinc/17/98/46/1180179846.db2.gz UAYVCUXEUZFMRK-UVGIYENGSA-N 1 1 308.328 3.244 20 5 DGBDMO C[C@H](Nc1ccnc(F)c1[N+](=O)[O-])[C@H]1CCC[N@H+](C2CCC2)C1 ZINC001354158512 1180733516 /nfs/dbraw/zinc/73/35/16/1180733516.db2.gz ZKROEULNMZKWEB-RYUDHWBXSA-N 1 1 322.384 3.194 20 5 DGBDMO C[C@H]1CN(c2ccc(F)cc2[N+](=O)[O-])CC[N@H+]1C1CCCC1 ZINC001458604144 1182543627 /nfs/dbraw/zinc/54/36/27/1182543627.db2.gz PEXBUYKGDLWQIW-LBPRGKRZSA-N 1 1 307.369 3.187 20 5 DGBDMO O=[N+]([O-])c1ccc2c(c1)C[N@@H+](CCc1c(F)cccc1F)CC2 ZINC001459653233 1182601952 /nfs/dbraw/zinc/60/19/52/1182601952.db2.gz HKNYFEHRVSKZJL-UHFFFAOYSA-N 1 1 318.323 3.474 20 5 DGBDMO O=[N+]([O-])c1ccc2c(c1)C[N@H+](CCc1c(F)cccc1F)CC2 ZINC001459653233 1182601956 /nfs/dbraw/zinc/60/19/56/1182601956.db2.gz HKNYFEHRVSKZJL-UHFFFAOYSA-N 1 1 318.323 3.474 20 5 DGBDMO Cc1cc(NC(=O)c2c(C)c(C)ccc2[N+](=O)[O-])cn2cc[nH+]c12 ZINC001460478268 1182690558 /nfs/dbraw/zinc/69/05/58/1182690558.db2.gz AIWPPIIVIZKDSO-UHFFFAOYSA-N 1 1 324.340 3.420 20 5 DGBDMO O=[N+]([O-])c1ccc(OCC[N@H+]2CCCC[C@H]2[C@@H]2CCCO2)cc1 ZINC001460957403 1182746022 /nfs/dbraw/zinc/74/60/22/1182746022.db2.gz ZQEHLDGJGZMQEN-IRXDYDNUSA-N 1 1 320.389 3.007 20 5 DGBDMO COc1c(O)ccc(C[N@@H+](C)C2CCC(C)CC2)c1[N+](=O)[O-] ZINC001461931193 1182879963 /nfs/dbraw/zinc/87/99/63/1182879963.db2.gz DHONNRRVIAXTFM-UHFFFAOYSA-N 1 1 308.378 3.320 20 5 DGBDMO CCc1c[nH]c2nc[nH+]c(NCCc3ccccc3[N+](=O)[O-])c12 ZINC001472772998 1183679106 /nfs/dbraw/zinc/67/91/06/1183679106.db2.gz IUDWXIZFPCRJJS-UHFFFAOYSA-N 1 1 311.345 3.035 20 5 DGBDMO O=[N+]([O-])c1ccc(C[NH2+][C@H](CCCO)c2ccccc2)c(F)c1 ZINC001473322935 1183743222 /nfs/dbraw/zinc/74/32/22/1183743222.db2.gz CHRVOGMQIOUCSN-QGZVFWFLSA-N 1 1 318.348 3.337 20 5 DGBDMO C[C@H](C(=O)Nc1ccc([N+](=O)[O-])cc1)[N@H+]1CC[C@@H](C)C(C)(C)C1 ZINC001473365343 1183748693 /nfs/dbraw/zinc/74/86/93/1183748693.db2.gz NDXVIMZBEAXSKC-CHWSQXEVSA-N 1 1 319.405 3.290 20 5 DGBDMO CC[C@@H]1CC[C@H](C)[N@@H+](CC(=O)Nc2ccc([N+](=O)[O-])cc2C)C1 ZINC001473472162 1183760880 /nfs/dbraw/zinc/76/08/80/1183760880.db2.gz MLJTXOAJUGUFNL-UONOGXRCSA-N 1 1 319.405 3.352 20 5 DGBDMO C[C@@H]([NH2+]Cc1nc2ccccc2n1C)c1ccc([N+](=O)[O-])cc1 ZINC001473783126 1183801207 /nfs/dbraw/zinc/80/12/07/1183801207.db2.gz DMHWEBKWEMJEAX-GFCCVEGCSA-N 1 1 310.357 3.332 20 5 DGBDMO Cc1ccccc1[C@H](CO)[N@@H+](C)Cc1ccc(C)c([N+](=O)[O-])c1 ZINC001473799541 1183804605 /nfs/dbraw/zinc/80/46/05/1183804605.db2.gz DPJXGSFKWKSDSG-SFHVURJKSA-N 1 1 314.385 3.377 20 5 DGBDMO C[N@@H+](Cc1ccc([N+](=O)[O-])c(F)c1)C[C@]12CCC[C@H]1OCC2 ZINC001473896560 1183822681 /nfs/dbraw/zinc/82/26/81/1183822681.db2.gz DSPQPJCUDNCDSH-HZPDHXFCSA-N 1 1 308.353 3.125 20 5 DGBDMO COc1c(O)ccc(C[N@@H+](C)[C@@H]2CCC[C@@H](C)C2)c1[N+](=O)[O-] ZINC001474401060 1183915521 /nfs/dbraw/zinc/91/55/21/1183915521.db2.gz DJFZKGJMHRPEEF-DGCLKSJQSA-N 1 1 308.378 3.320 20 5 DGBDMO C[C@H]1CN(c2ccc([N+](=O)[O-])cc2F)CC[N@H+]1C1CCCC1 ZINC001612913448 1193464221 /nfs/dbraw/zinc/46/42/21/1193464221.db2.gz VQEUTBUOSNXHLF-LBPRGKRZSA-N 1 1 307.369 3.187 20 5 DGBDMO CCOC(=O)[C@@H]1C[C@H]1C[N@@H+](Cc1ccc([N+](=O)[O-])cc1)C(C)C ZINC001615272552 1193519345 /nfs/dbraw/zinc/51/93/45/1193519345.db2.gz PELFUXQLTDEVEM-GOEBONIOSA-N 1 1 320.389 3.004 20 5 DGBDMO Cc1ccc([N+](=O)[O-])c(C)c1COC(=O)[C@H]1CCC[N@H+]1C(C)C ZINC001535403466 1187957791 /nfs/dbraw/zinc/95/77/91/1187957791.db2.gz PSPBWKJIOMXATR-MRXNPFEDSA-N 1 1 320.389 3.128 20 5 DGBDMO Cc1ccc([N+](=O)[O-])c(C)c1COC(=O)[C@H]1CCC[N@@H+]1C(C)C ZINC001535403466 1187957797 /nfs/dbraw/zinc/95/77/97/1187957797.db2.gz PSPBWKJIOMXATR-MRXNPFEDSA-N 1 1 320.389 3.128 20 5 DGBDMO CC[C@@H]1CC[N@@H+]([C@H](C)C(=O)Nc2cccc([N+](=O)[O-])c2)[C@@H]1C ZINC001559768530 1189240808 /nfs/dbraw/zinc/24/08/08/1189240808.db2.gz GTRQVJDYFXDQEU-JHJVBQTASA-N 1 1 305.378 3.042 20 5 DGBDMO O=[N+]([O-])c1ccccc1OCC[N@H+]1CCC[C@@H](C2CCC2)C1 ZINC001560011683 1189268858 /nfs/dbraw/zinc/26/88/58/1189268858.db2.gz NHLKNTCQINIFFP-OAHLLOKOSA-N 1 1 304.390 3.486 20 5 DGBDMO Cc1c(CNC[C@@H](C)[N@@H+]2CCC[C@@H](C)C2)cccc1[N+](=O)[O-] ZINC001560265849 1189302901 /nfs/dbraw/zinc/30/29/01/1189302901.db2.gz HGLDHIOUURDTNX-ZIAGYGMSSA-N 1 1 305.422 3.113 20 5 DGBDMO Cc1c(CNC[C@@H](C)[N@H+]2CCC[C@@H](C)C2)cccc1[N+](=O)[O-] ZINC001560265849 1189302907 /nfs/dbraw/zinc/30/29/07/1189302907.db2.gz HGLDHIOUURDTNX-ZIAGYGMSSA-N 1 1 305.422 3.113 20 5 DGBDMO COc1ccc([N+](=O)[O-])cc1C[NH2+]Cc1cccc(Cl)c1N ZINC001560413787 1189325477 /nfs/dbraw/zinc/32/54/77/1189325477.db2.gz VOFWPBOCGVCHAA-UHFFFAOYSA-N 1 1 321.764 3.129 20 5 DGBDMO O=[N+]([O-])c1cccc(CNC[C@@H]2CC[N@H+]2C2CCCCCC2)c1 ZINC001560562535 1189339933 /nfs/dbraw/zinc/33/99/33/1189339933.db2.gz ZRDIQPZTVYNBLA-SFHVURJKSA-N 1 1 317.433 3.482 20 5 DGBDMO O=[N+]([O-])c1cccc(C[NH2+]C[C@@H]2CCN2C2CCCCCC2)c1 ZINC001560562535 1189339936 /nfs/dbraw/zinc/33/99/36/1189339936.db2.gz ZRDIQPZTVYNBLA-SFHVURJKSA-N 1 1 317.433 3.482 20 5 DGBDMO Cc1ccc(CN2CC[N@H+](C)C3(CCCCC3)C2)cc1[N+](=O)[O-] ZINC001618029114 1193722286 /nfs/dbraw/zinc/72/22/86/1193722286.db2.gz YTGJZMOFZLXMHM-UHFFFAOYSA-N 1 1 317.433 3.354 20 5 DGBDMO COc1c(O)ccc(C[N@H+]2CC[C@@H](C)C(C)(C)C2)c1[N+](=O)[O-] ZINC001621233149 1193819643 /nfs/dbraw/zinc/81/96/43/1193819643.db2.gz HCZUNPKYBGYSCY-LLVKDONJSA-N 1 1 308.378 3.177 20 5 DGBDMO CCC[N@@H+](CC)CCNc1cc(OC)c([N+](=O)[O-])cc1Cl ZINC001639561650 1194771786 /nfs/dbraw/zinc/77/17/86/1194771786.db2.gz GYPTUCYDSORARB-UHFFFAOYSA-N 1 1 315.801 3.401 20 5 DGBDMO O=[N+]([O-])c1cc(Cl)cnc1NC[C@H]1CC[N@H+]1C1CCCCC1 ZINC001640164869 1194799706 /nfs/dbraw/zinc/79/97/06/1194799706.db2.gz CZXULVQCDKLGRT-CYBMUJFWSA-N 1 1 324.812 3.462 20 5 DGBDMO CC[C@@H]1CC[N@@H+](Cc2nc(-c3ccc([N+](=O)[O-])cc3)no2)[C@@H]1C ZINC001642792006 1194939772 /nfs/dbraw/zinc/93/97/72/1194939772.db2.gz WMDALIXOWSNLCJ-VXGBXAGGSA-N 1 1 316.361 3.265 20 5 DGBDMO COCC[N@@H+](CCOc1cccc([N+](=O)[O-])c1)[C@H]1CC[C@H](C)C1 ZINC001642938077 1194955906 /nfs/dbraw/zinc/95/59/06/1194955906.db2.gz JQMXIGPSKMEOAF-GJZGRUSLSA-N 1 1 322.405 3.111 20 5 DGBDMO CCNc1nc(C[N@H+](C)CCc2cccc([N+](=O)[O-])c2)cs1 ZINC001645397355 1195181154 /nfs/dbraw/zinc/18/11/54/1195181154.db2.gz HIMASKWVTNTQIG-UHFFFAOYSA-N 1 1 320.418 3.158 20 5 DGBDMO CCNc1nc(C[N@@H+](C)CCc2cccc([N+](=O)[O-])c2)cs1 ZINC001645397355 1195181157 /nfs/dbraw/zinc/18/11/57/1195181157.db2.gz HIMASKWVTNTQIG-UHFFFAOYSA-N 1 1 320.418 3.158 20 5 DGBDMO C[N@@H+](CCc1cccc(Nc2cccnc2[N+](=O)[O-])c1)C1CC1 ZINC001650921579 1195395058 /nfs/dbraw/zinc/39/50/58/1195395058.db2.gz MQGFSAJPYCKLFM-UHFFFAOYSA-N 1 1 312.373 3.370 20 5 DGBDMO Cc1c(CNC[C@@H]2CC[N@@H+]2C2CCCCC2)cccc1[N+](=O)[O-] ZINC001651335988 1195445626 /nfs/dbraw/zinc/44/56/26/1195445626.db2.gz WRVSLELJMPXVFO-KRWDZBQOSA-N 1 1 317.433 3.400 20 5 DGBDMO Cc1c(CNC[C@@H]2CC[N@H+]2C2CCCCC2)cccc1[N+](=O)[O-] ZINC001651335988 1195445629 /nfs/dbraw/zinc/44/56/29/1195445629.db2.gz WRVSLELJMPXVFO-KRWDZBQOSA-N 1 1 317.433 3.400 20 5 DGBDMO CC(C)[N@@H+](C)CCCNc1nc2c(cc1[N+](=O)[O-])CCCC2 ZINC001651362849 1195450356 /nfs/dbraw/zinc/45/03/56/1195450356.db2.gz PMXCVIDQHZLYOR-UHFFFAOYSA-N 1 1 306.410 3.011 20 5 DGBDMO CN(C)c1cc[nH+]c(CNc2ccc([N+](=O)[O-])c3cccnc23)c1 ZINC001651421350 1195459528 /nfs/dbraw/zinc/45/95/28/1195459528.db2.gz ZDOXLSDRPJVNCB-UHFFFAOYSA-N 1 1 323.356 3.216 20 5 DGBDMO CC[C@@H](C)[N@@H+](C)CCNc1nc2c(cc1[N+](=O)[O-])CCCC2 ZINC001651475585 1195467892 /nfs/dbraw/zinc/46/78/92/1195467892.db2.gz PBUFVMAHOKFORN-GFCCVEGCSA-N 1 1 306.410 3.011 20 5 DGBDMO CCC(=O)c1ccc(NC[C@@H]2CCCC[N@H+]2C)c([N+](=O)[O-])c1 ZINC001651490882 1195470899 /nfs/dbraw/zinc/47/08/99/1195470899.db2.gz VPRKZUKAWHRWRW-ZDUSSCGKSA-N 1 1 305.378 3.084 20 5 DGBDMO C[C@@H]1CCC[C@H](C)C[N@@H+]1CCC(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC001652526043 1195611419 /nfs/dbraw/zinc/61/14/19/1195611419.db2.gz FHPIEKFVJODWOV-UONOGXRCSA-N 1 1 319.405 3.434 20 5 DGBDMO CCC1(CC)CC[N@H+]([C@@H](C)C(=O)Nc2ccc([N+](=O)[O-])cc2)C1 ZINC001653562050 1195734611 /nfs/dbraw/zinc/73/46/11/1195734611.db2.gz ZLRGBJULNYCIQB-ZDUSSCGKSA-N 1 1 319.405 3.434 20 5 DGBDMO C[N@@H+](CCSC(F)(F)F)CCc1ccccc1[N+](=O)[O-] ZINC001653577371 1195736369 /nfs/dbraw/zinc/73/63/69/1195736369.db2.gz AMIUQWCROVORGR-UHFFFAOYSA-N 1 1 308.325 3.322 20 5 DGBDMO COc1cccc2c1C[N@H+](Cc1ccc(C)c([N+](=O)[O-])c1)CC2 ZINC001653626989 1195739948 /nfs/dbraw/zinc/73/99/48/1195739948.db2.gz XPECTAVOLPWHRU-UHFFFAOYSA-N 1 1 312.369 3.470 20 5 DGBDMO COc1cccc2c1C[N@@H+](Cc1ccc(C)c([N+](=O)[O-])c1)CC2 ZINC001653626989 1195739951 /nfs/dbraw/zinc/73/99/51/1195739951.db2.gz XPECTAVOLPWHRU-UHFFFAOYSA-N 1 1 312.369 3.470 20 5 DGBDMO C[N@@H+](CCc1ccccc1[N+](=O)[O-])C[C@@H]1CCC2(CCC2)CO1 ZINC001654425362 1195802727 /nfs/dbraw/zinc/80/27/27/1195802727.db2.gz RRMBJKPCZFJIRI-INIZCTEOSA-N 1 1 318.417 3.418 20 5 DGBDMO CC(C)(C)OC[C@H]1CCC[N@H+]1CCOc1cccc([N+](=O)[O-])c1 ZINC001654744596 1195835195 /nfs/dbraw/zinc/83/51/95/1195835195.db2.gz ZOFZBYYDCJKKRW-OAHLLOKOSA-N 1 1 322.405 3.253 20 5 DGBDMO O=[N+]([O-])c1ccc(F)cc1C[N@@H+]1CCCC[C@]12CCCOC2 ZINC001655142208 1195882723 /nfs/dbraw/zinc/88/27/23/1195882723.db2.gz SGEMLFGYJFCNHQ-MRXNPFEDSA-N 1 1 308.353 3.269 20 5 DGBDMO O=[N+]([O-])c1ccc(F)cc1C[N@H+]1CCCC[C@]12CCCOC2 ZINC001655142208 1195882726 /nfs/dbraw/zinc/88/27/26/1195882726.db2.gz SGEMLFGYJFCNHQ-MRXNPFEDSA-N 1 1 308.353 3.269 20 5 DGBDMO Cc1cc(N2CC([N@@H+](C)Cc3ccccc3)C2)c([N+](=O)[O-])s1 ZINC001655467825 1195921340 /nfs/dbraw/zinc/92/13/40/1195921340.db2.gz VHUQCAIFFDEXIE-UHFFFAOYSA-N 1 1 317.414 3.285 20 5 DGBDMO O=[N+]([O-])c1cnc(Nc2ccc3[nH+]ccn3c2)c(C(F)(F)F)c1 ZINC001655694124 1195951860 /nfs/dbraw/zinc/95/18/60/1195951860.db2.gz RUGILQYEAFLLAG-UHFFFAOYSA-N 1 1 323.234 3.400 20 5 DGBDMO O=[N+]([O-])c1ccc([C@H](O)C[N@H+]2CC=CC23CCCCC3)cc1 ZINC001656562150 1196050772 /nfs/dbraw/zinc/05/07/72/1196050772.db2.gz KTYVIWULODNLSO-MRXNPFEDSA-N 1 1 302.374 3.203 20 5 DGBDMO Cc1c(CNC[C@@H](C)[N@@H+]2CCCC[C@H]2C)cccc1[N+](=O)[O-] ZINC001656774068 1196070582 /nfs/dbraw/zinc/07/05/82/1196070582.db2.gz IWLLLWYAGWZCOJ-ZIAGYGMSSA-N 1 1 305.422 3.256 20 5 DGBDMO Cc1c(CNC[C@@H](C)[N@H+]2CCCC[C@H]2C)cccc1[N+](=O)[O-] ZINC001656774068 1196070584 /nfs/dbraw/zinc/07/05/84/1196070584.db2.gz IWLLLWYAGWZCOJ-ZIAGYGMSSA-N 1 1 305.422 3.256 20 5 DGBDMO COc1c(O)ccc(C[N@H+]2C[C@H](C)[C@@H]3CCCC[C@H]32)c1[N+](=O)[O-] ZINC001657525653 1196151204 /nfs/dbraw/zinc/15/12/04/1196151204.db2.gz DDEYXRQNEIWMRD-FPMFFAJLSA-N 1 1 320.389 3.320 20 5 DGBDMO O=[N+]([O-])c1ccc(N[C@@H]2CC[N@@H+](CC3CC4(CCC4)C3)C2)nc1 ZINC001657625207 1196162396 /nfs/dbraw/zinc/16/23/96/1196162396.db2.gz JBEFFEXVEAYLRF-CQSZACIVSA-N 1 1 316.405 3.056 20 5 DGBDMO Cc1ncc([N+](=O)[O-])n1CC[N@@H+](Cc1ccccc1)C(C)(C)C ZINC001657740500 1196174038 /nfs/dbraw/zinc/17/40/38/1196174038.db2.gz YJEIIGRVBQTLKQ-UHFFFAOYSA-N 1 1 316.405 3.400 20 5 DGBDMO C[N@H+]1CCN(CCc2ccc([N+](=O)[O-])cc2)c2ccccc2C1 ZINC001658174669 1196221638 /nfs/dbraw/zinc/22/16/38/1196221638.db2.gz USLCMPUUSZOEKN-UHFFFAOYSA-N 1 1 311.385 3.089 20 5 DGBDMO Cc1ccc([N+](=O)[O-])c(C)c1C[N@H+]1CC[C@H]2CSC[C@@H]2C1 ZINC001658738383 1196294151 /nfs/dbraw/zinc/29/41/51/1196294151.db2.gz WPXHZRRLVVIXLR-KBPBESRZSA-N 1 1 306.431 3.397 20 5 DGBDMO COc1c(O)ccc(C[N@H+]2CC[C@H](C)C3(CCC3)C2)c1[N+](=O)[O-] ZINC001658796020 1196302225 /nfs/dbraw/zinc/30/22/25/1196302225.db2.gz XNYVYUXLQHIILP-LBPRGKRZSA-N 1 1 320.389 3.321 20 5 DGBDMO COc1ccc(C[C@@H](C)[N@@H+](C)Cc2ccncc2)c([N+](=O)[O-])c1 ZINC001170326692 1082346410 /nfs/dbraw/zinc/34/64/10/1082346410.db2.gz BPZZSKYEXAEUNG-CYBMUJFWSA-N 1 1 315.373 3.061 20 5 DGBDMO COc1ccc(C[C@H](C)[N@H+]2CCC[C@H](OC)CC2)c([N+](=O)[O-])c1 ZINC001170351008 1082358268 /nfs/dbraw/zinc/35/82/68/1082358268.db2.gz DGDVXFYSKUVXKW-ZFWWWQNUSA-N 1 1 322.405 3.035 20 5 DGBDMO CC(C)(C)C[N@@H+](CCO)Cc1cc([N+](=O)[O-])ccc1Cl ZINC000689905935 1083452749 /nfs/dbraw/zinc/45/27/49/1083452749.db2.gz MDUFRDNENYOLRC-UHFFFAOYSA-N 1 1 300.786 3.089 20 5 DGBDMO C[C@@H]1CCCC[N@H+]1CCCNc1ccc(N(C)C)cc1[N+](=O)[O-] ZINC001167751974 1083626403 /nfs/dbraw/zinc/62/64/03/1083626403.db2.gz AEMAJOOBLXSUNL-CQSZACIVSA-N 1 1 320.437 3.337 20 5 DGBDMO Cc1[nH+]c(N)ccc1CNc1ccc([N+](=O)[O-])c2cnccc12 ZINC001167786458 1083940852 /nfs/dbraw/zinc/94/08/52/1083940852.db2.gz OUEUYQGERVJWKH-UHFFFAOYSA-N 1 1 309.329 3.041 20 5 DGBDMO C[N@H+]1CCCC(C)(C)[C@H]1CNc1c(F)cc([N+](=O)[O-])cc1F ZINC001186367872 1084635812 /nfs/dbraw/zinc/63/58/12/1084635812.db2.gz KMNAHHNIMUNDAC-CYBMUJFWSA-N 1 1 313.348 3.405 20 5 DGBDMO C[N@H+]1C[C@@H](CNc2ccccc2[N+](=O)[O-])[C@H](c2ccccc2)C1 ZINC001186803821 1084697966 /nfs/dbraw/zinc/69/79/66/1084697966.db2.gz IWLJUUAABLUWBJ-CVEARBPZSA-N 1 1 311.385 3.352 20 5 DGBDMO CN(C[C@@H]1CCC[N@H+]1C)c1cc(C(F)(F)F)ccc1[N+](=O)[O-] ZINC001186763870 1084699030 /nfs/dbraw/zinc/69/90/30/1084699030.db2.gz JSNJKJFDQBVOIY-NSHDSACASA-N 1 1 317.311 3.144 20 5 DGBDMO CC[N@H+]1CCN(c2nc3ccccc3cc2[N+](=O)[O-])C(C)(C)C1 ZINC001158561918 1087913326 /nfs/dbraw/zinc/91/33/26/1087913326.db2.gz SSZSJJHFJJWQPP-UHFFFAOYSA-N 1 1 314.389 3.064 20 5 DGBDMO C[N@H+]1CCC[C@@H]1CCNc1nccc2ccc([N+](=O)[O-])cc21 ZINC001160970993 1089050383 /nfs/dbraw/zinc/05/03/83/1089050383.db2.gz UWQAQYQSBUKCJL-CYBMUJFWSA-N 1 1 300.362 3.039 20 5 DGBDMO C[N@H+]1CCC[C@@H]1CCNc1nc2ccccc2cc1[N+](=O)[O-] ZINC001160970678 1089051299 /nfs/dbraw/zinc/05/12/99/1089051299.db2.gz OCHAAVNTCMMPNP-CYBMUJFWSA-N 1 1 300.362 3.039 20 5 DGBDMO C[N@H+]1CCC[C@@](C)(Nc2ncc([N+](=O)[O-])c3ccccc32)C1 ZINC001162342270 1089683370 /nfs/dbraw/zinc/68/33/70/1089683370.db2.gz SZEOQLSSSYDHRZ-MRXNPFEDSA-N 1 1 300.362 3.039 20 5 DGBDMO Cc1cc(N[C@@]2(C)CCC[N@H+](C)C2)nc2ccc([N+](=O)[O-])cc12 ZINC001162341892 1089684069 /nfs/dbraw/zinc/68/40/69/1089684069.db2.gz QAGABOCPAPGZJO-KRWDZBQOSA-N 1 1 314.389 3.348 20 5 DGBDMO Cc1[nH+]c(N)ccc1CNc1ccc2cccc([N+](=O)[O-])c2n1 ZINC001156980458 1089773453 /nfs/dbraw/zinc/77/34/53/1089773453.db2.gz HCNSGSOBJPIDOL-UHFFFAOYSA-N 1 1 309.329 3.041 20 5 DGBDMO CC1(C)CCC[N@H+]1CCNc1nccc2c1cccc2[N+](=O)[O-] ZINC001163480490 1090196434 /nfs/dbraw/zinc/19/64/34/1090196434.db2.gz IBWSOBIZRVKEMD-UHFFFAOYSA-N 1 1 314.389 3.429 20 5 DGBDMO C[N@H+]1CCC[C@H](CCNc2ccc3cc([N+](=O)[O-])ccc3n2)C1 ZINC001165260832 1090491692 /nfs/dbraw/zinc/49/16/92/1090491692.db2.gz JPHYDPQIOHIWPE-CYBMUJFWSA-N 1 1 314.389 3.287 20 5 DGBDMO Cc1ccc([N+](=O)[O-])c(C)c1C[NH2+]Cc1nc2ccccc2n1C ZINC001649106286 1090598496 /nfs/dbraw/zinc/59/84/96/1090598496.db2.gz AVKOFKRBEYEHHU-UHFFFAOYSA-N 1 1 324.384 3.388 20 5 DGBDMO CN(Cc1ccsc1)c1cc(/C=C/[NH+](C)C)c([N+](=O)[O-])cn1 ZINC001166828661 1090665330 /nfs/dbraw/zinc/66/53/30/1090665330.db2.gz DTBBTWOBJUIBIF-GQCTYLIASA-N 1 1 318.402 3.220 20 5 DGBDMO CCC1(CC)CC[N@@H+](Cc2ccc(O)c(OC)c2[N+](=O)[O-])C1 ZINC001204880827 1091053397 /nfs/dbraw/zinc/05/33/97/1091053397.db2.gz HYPMSMLDEKPBCD-UHFFFAOYSA-N 1 1 308.378 3.321 20 5 DGBDMO C[N@@H+](Cc1nc2ccccc2s1)[C@@H]1CC[C@@H](C[N+](=O)[O-])C1 ZINC001169013397 1092487818 /nfs/dbraw/zinc/48/78/18/1092487818.db2.gz UUQGPIGGWINDJG-VXGBXAGGSA-N 1 1 305.403 3.174 20 5 DGBDMO Cc1ccccc1O[C@@H]1CCC[N@H+]([C@H]2CC[C@H](C[N+](=O)[O-])C2)C1 ZINC001169029707 1092494775 /nfs/dbraw/zinc/49/47/75/1092494775.db2.gz VJDSIVPTOCVSDM-YESZJQIVSA-N 1 1 318.417 3.284 20 5 DGBDMO O=[N+]([O-])C[C@@H]1CC[C@@H]([N@H+]2CCSC[C@H]2c2ccccc2)C1 ZINC001169034941 1092496728 /nfs/dbraw/zinc/49/67/28/1092496728.db2.gz ISYBGGVWCVQLMR-BMFZPTHFSA-N 1 1 306.431 3.222 20 5 DGBDMO O=[N+]([O-])C[C@@H]1CC[C@H]([N@H+]2CCSC[C@H]2c2ccc(F)cc2)C1 ZINC001169032985 1092497388 /nfs/dbraw/zinc/49/73/88/1092497388.db2.gz AMYUMWROQVTVIU-KCXAZCMYSA-N 1 1 324.421 3.361 20 5 DGBDMO O=[N+]([O-])C[C@H]1CC[C@H]([N@H+]2CCc3c4ccccc4oc3C2)C1 ZINC001169038660 1092500541 /nfs/dbraw/zinc/50/05/41/1092500541.db2.gz JYSYMHWJRDXGBX-STQMWFEESA-N 1 1 300.358 3.236 20 5 DGBDMO COc1ccccc1C[C@H](C)[N@@H+](C)[C@H]1CC[C@H](C[N+](=O)[O-])C1 ZINC001169047454 1092507195 /nfs/dbraw/zinc/50/71/95/1092507195.db2.gz RCSNQRFXEUBZSE-DZKIICNBSA-N 1 1 306.406 3.003 20 5 DGBDMO C=C(N)C(=O)Nc1cc2[nH+]c3cc(N(C)C)ccc3cc2cc1C ZINC001219211222 1094950708 /nfs/dbraw/zinc/95/07/08/1094950708.db2.gz ZQHWRXJDDNOPPL-UHFFFAOYSA-N 1 1 320.396 3.173 20 5 DGBDMO C[N@H+]1C[C@@H]2CC[C@@H](Nc3ccc([N+](=O)[O-])cc3C(F)F)[C@@H]2C1 ZINC001340000448 1095807668 /nfs/dbraw/zinc/80/76/68/1095807668.db2.gz WVAKQUVFZBNNQH-MRCXROJRSA-N 1 1 311.332 3.285 20 5 DGBDMO C[N@@H+]1CCO[C@@H](COCc2c3ccccc3nc3ccccc32)C1 ZINC001223336904 1095939830 /nfs/dbraw/zinc/93/98/30/1095939830.db2.gz UCCNAHRMYLMGOL-OAHLLOKOSA-N 1 1 322.408 3.235 20 5 DGBDMO C[N@H+]1CCO[C@@H](COCc2c3ccccc3nc3ccccc32)C1 ZINC001223336904 1095939840 /nfs/dbraw/zinc/93/98/40/1095939840.db2.gz UCCNAHRMYLMGOL-OAHLLOKOSA-N 1 1 322.408 3.235 20 5 DGBDMO O=[N+]([O-])c1ccccc1-c1cnn(C[N@H+]2CCC[C@@H](CF)C2)c1 ZINC001119329332 1096169242 /nfs/dbraw/zinc/16/92/42/1096169242.db2.gz LPGUGRATURCWCU-ZDUSSCGKSA-N 1 1 318.352 3.097 20 5 DGBDMO CC(C)[N@H+]1CC[C@@H](Oc2ccc(C(F)(F)F)cc2[N+](=O)[O-])C1 ZINC001225952326 1096572884 /nfs/dbraw/zinc/57/28/84/1096572884.db2.gz BRHIPPZMVFWJTJ-LLVKDONJSA-N 1 1 318.295 3.475 20 5 DGBDMO Cc1ccc(N2CCC[C@H](Oc3ccc([N+](=O)[O-])cc3)C2)[nH+]c1 ZINC001227523980 1096944305 /nfs/dbraw/zinc/94/43/05/1096944305.db2.gz VDSRTDVILITSIS-INIZCTEOSA-N 1 1 313.357 3.346 20 5 DGBDMO O=[N+]([O-])c1cncc(O[C@H]2CCC[N@@H+](Cc3ccccc3)C2)c1 ZINC001227988590 1097025892 /nfs/dbraw/zinc/02/58/92/1097025892.db2.gz STYPJHSHMYMWBY-INIZCTEOSA-N 1 1 313.357 3.033 20 5 DGBDMO CC[N@H+]1CC[C@H](Oc2ccc3c(c2)oc2ccccc2c3=O)C1 ZINC001228179203 1097068740 /nfs/dbraw/zinc/06/87/40/1097068740.db2.gz BOECKOFOTZXTQE-AWEZNQCLSA-N 1 1 309.365 3.419 20 5 DGBDMO C[N@H+]1CCC[C@@H](Oc2nc3ccc([N+](=O)[O-])cc3s2)CC1 ZINC001228209415 1097074195 /nfs/dbraw/zinc/07/41/95/1097074195.db2.gz PYAAIFIVLGNSRN-LLVKDONJSA-N 1 1 307.375 3.068 20 5 DGBDMO CC(=O)c1cc(C)cc([N+](=O)[O-])c1O[C@@H]1CCC[N@H+](C(C)C)C1 ZINC001228450171 1097123735 /nfs/dbraw/zinc/12/37/35/1097123735.db2.gz IBONWFFNGVMSOC-CQSZACIVSA-N 1 1 320.389 3.357 20 5 DGBDMO CC(C)[N@H+]1CC[C@@H](Oc2nccc3ccc([N+](=O)[O-])cc32)C1 ZINC001229007369 1097235333 /nfs/dbraw/zinc/23/53/33/1097235333.db2.gz HIANMNFDGXVQJY-CQSZACIVSA-N 1 1 301.346 3.005 20 5 DGBDMO CC[N@H+]1CCC[C@H](Oc2nccc3ccc([N+](=O)[O-])cc32)C1 ZINC001229007502 1097236046 /nfs/dbraw/zinc/23/60/46/1097236046.db2.gz IXBVJZJZKDYWFJ-AWEZNQCLSA-N 1 1 301.346 3.006 20 5 DGBDMO CC(C)[N@H+]1CCC[C@@H](Oc2nccc3ccc([N+](=O)[O-])cc32)C1 ZINC001229009972 1097236196 /nfs/dbraw/zinc/23/61/96/1097236196.db2.gz XZGPYPDGSGCBQX-OAHLLOKOSA-N 1 1 315.373 3.395 20 5 DGBDMO O=[N+]([O-])c1ccc2c(c1)CC[C@H]([N@@H+]1C[C@@H](F)C[C@H]1CF)CC2 ZINC001172907506 1097269168 /nfs/dbraw/zinc/26/91/68/1097269168.db2.gz GBORKSLARIAJEM-LZWOXQAQSA-N 1 1 310.344 3.224 20 5 DGBDMO O=[N+]([O-])c1ccc2c(c1)CC[C@H]([N@H+]1C[C@@H](F)C[C@H]1CF)CC2 ZINC001172907506 1097269172 /nfs/dbraw/zinc/26/91/72/1097269172.db2.gz GBORKSLARIAJEM-LZWOXQAQSA-N 1 1 310.344 3.224 20 5 DGBDMO CNCC[N@H+]([C@H]1CCc2ccc([N+](=O)[O-])cc2CC1)C(C)(C)C ZINC001172913701 1097278335 /nfs/dbraw/zinc/27/83/35/1097278335.db2.gz UKDJZFISDCFHRR-INIZCTEOSA-N 1 1 319.449 3.162 20 5 DGBDMO CNCC[N@@H+]([C@H]1CCc2ccc([N+](=O)[O-])cc2CC1)C(C)(C)C ZINC001172913701 1097278339 /nfs/dbraw/zinc/27/83/39/1097278339.db2.gz UKDJZFISDCFHRR-INIZCTEOSA-N 1 1 319.449 3.162 20 5 DGBDMO CC(C)[C@@H]1COCC[N@H+]1[C@H]1CCc2ccc([N+](=O)[O-])cc2CC1 ZINC001172920207 1097281060 /nfs/dbraw/zinc/28/10/60/1097281060.db2.gz IXICHHIQIDZXHI-WMZOPIPTSA-N 1 1 318.417 3.199 20 5 DGBDMO O=[N+]([O-])c1ccc2c(c1)CC[C@H]([N@H+]1CCC[C@]13CCOC3)CC2 ZINC001172920084 1097281115 /nfs/dbraw/zinc/28/11/15/1097281115.db2.gz IHWPYKJWMMVPTJ-SJLPKXTDSA-N 1 1 316.401 3.097 20 5 DGBDMO CC(=O)[C@@H]1CCC[N@H+]([C@H]2CCc3ccc([N+](=O)[O-])cc3CC2)C1 ZINC001172920031 1097281122 /nfs/dbraw/zinc/28/11/22/1097281122.db2.gz HUMOZLIOURBIHE-SJORKVTESA-N 1 1 316.401 3.143 20 5 DGBDMO CC(C)[N@H+]1CC[C@H](Oc2cc([N+](=O)[O-])cc3cccnc32)C1 ZINC001229344215 1097301905 /nfs/dbraw/zinc/30/19/05/1097301905.db2.gz SNNNOXIXDVZNKU-AWEZNQCLSA-N 1 1 301.346 3.005 20 5 DGBDMO C[C@H](Cc1ccc([N+](=O)[O-])cc1)[N@@H+](C)Cc1cnc2ccccn12 ZINC001173221764 1097371902 /nfs/dbraw/zinc/37/19/02/1097371902.db2.gz LZAHMAQEXHRJHS-CQSZACIVSA-N 1 1 324.384 3.306 20 5 DGBDMO C[C@@H](Cc1ccc([N+](=O)[O-])cc1)[N@H+]1CCC[C@@]2(CCOC2)C1 ZINC001173220759 1097372454 /nfs/dbraw/zinc/37/24/54/1097372454.db2.gz CDDZAIVSXSZKMZ-WMLDXEAASA-N 1 1 304.390 3.028 20 5 DGBDMO COCC[C@@H]1CCCC[N@H+]1[C@@H](C)Cc1ccc([N+](=O)[O-])cc1 ZINC001173225715 1097374741 /nfs/dbraw/zinc/37/47/41/1097374741.db2.gz FNZXMTHCGGVIBN-HOCLYGCPSA-N 1 1 306.406 3.417 20 5 DGBDMO C[C@H](Cc1ccc([N+](=O)[O-])cc1)[N@H+]1CC[C@H](C)[C@@](C)(O)CC1 ZINC001173226691 1097375159 /nfs/dbraw/zinc/37/51/59/1097375159.db2.gz NLPSTOZCALWHBR-VBQJREDUSA-N 1 1 306.406 3.009 20 5 DGBDMO C[C@H](Cc1ccc([N+](=O)[O-])cc1)[NH+]1CC(Oc2ccccc2)C1 ZINC001173228479 1097376065 /nfs/dbraw/zinc/37/60/65/1097376065.db2.gz XLIYBLRAVJARLG-CQSZACIVSA-N 1 1 312.369 3.289 20 5 DGBDMO C[C@@H](Cc1ccc([N+](=O)[O-])cc1)[N@H+]1CCc2c(O)cccc2C1 ZINC001173229000 1097376160 /nfs/dbraw/zinc/37/61/60/1097376160.db2.gz POAQJNKJKXIFSX-ZDUSSCGKSA-N 1 1 312.369 3.290 20 5 DGBDMO Cc1cnc2c(c1)C[N@@H+]([C@@H](C)Cc1ccc([N+](=O)[O-])cc1)CC2 ZINC001173233826 1097378176 /nfs/dbraw/zinc/37/81/76/1097378176.db2.gz ZHNPZCTVOICJFO-AWEZNQCLSA-N 1 1 311.385 3.288 20 5 DGBDMO C[C@@H](Cc1ccc([N+](=O)[O-])cc1)[N@H+]1CC[C@@H](COCC2CC2)C1 ZINC001173235464 1097378438 /nfs/dbraw/zinc/37/84/38/1097378438.db2.gz XKOAFSMGKRPELD-WMLDXEAASA-N 1 1 318.417 3.274 20 5 DGBDMO C[C@@H](Cc1ccc([N+](=O)[O-])cc1)[N@H+]1CCC[C@@H]1c1ncccn1 ZINC001173237789 1097392671 /nfs/dbraw/zinc/39/26/71/1097392671.db2.gz MSIZHWVYIXWWRT-XJKSGUPXSA-N 1 1 312.373 3.153 20 5 DGBDMO C[N@H+]1CCC[C@H](Oc2ccc3nc4ccc(=O)cc-4oc3c2)CC1 ZINC001231330465 1097722637 /nfs/dbraw/zinc/72/26/37/1097722637.db2.gz ABMJMNHOJVRMSG-AWEZNQCLSA-N 1 1 324.380 3.156 20 5 DGBDMO c1cnc2c(c1)ccc1ccc(C[N@H+]3CC[C@@H]4COC[C@@H]4C3)nc12 ZINC001232218568 1097969714 /nfs/dbraw/zinc/96/97/14/1097969714.db2.gz IOOXEZKJMQVBST-SJORKVTESA-N 1 1 319.408 3.251 20 5 DGBDMO C[C@@H]1CC[C@@H](CO)C[N@H+]1Cc1ccc2ccc3cccnc3c2n1 ZINC001232219090 1097972153 /nfs/dbraw/zinc/97/21/53/1097972153.db2.gz QNBMLIHRCRXTGS-HUUCEWRRSA-N 1 1 321.424 3.376 20 5 DGBDMO C[C@H]1C[C@H](O)CC[N@H+]1Cc1ccc2ccc3cccnc3c2n1 ZINC001232223676 1097972752 /nfs/dbraw/zinc/97/27/52/1097972752.db2.gz RZXGTPGUTZQZEK-SUMWQHHRSA-N 1 1 307.397 3.128 20 5 DGBDMO O=[N+]([O-])c1ccc(OCC[N@H+]2CCCSC[C@H]2C2CC2)cc1 ZINC001176641587 1098395802 /nfs/dbraw/zinc/39/58/02/1098395802.db2.gz SHYPFSRAPJQKIO-INIZCTEOSA-N 1 1 322.430 3.191 20 5 DGBDMO Cc1cc(F)c(O[C@@H]2[C@@H]3CCC[C@H]2C[N@H+](C)C3)cc1[N+](=O)[O-] ZINC001234059988 1098487303 /nfs/dbraw/zinc/48/73/03/1098487303.db2.gz MVBRCGGSVMUTPH-DRXBFXEBSA-N 1 1 308.353 3.151 20 5 DGBDMO Cc1nccc([N+](=O)[O-])c1O[C@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2C(C)C ZINC001234901891 1098701887 /nfs/dbraw/zinc/70/18/87/1098701887.db2.gz SXBWTBQNUYPAPK-WDNDVIMCSA-N 1 1 305.378 3.081 20 5 DGBDMO C[N@H+](Cc1c2ccccc2cc2ccccc21)C[C@@H]1COCCN1 ZINC001235962662 1099294728 /nfs/dbraw/zinc/29/47/28/1099294728.db2.gz NZGPPWZAGJDDGK-GOSISDBHSA-N 1 1 320.436 3.413 20 5 DGBDMO Cc1cc(N2CC[N@H+](C)C[C@@H]2CC(C)C)c(F)cc1[N+](=O)[O-] ZINC001187709168 1099581891 /nfs/dbraw/zinc/58/18/91/1099581891.db2.gz QERMZIWWCWCABX-ZDUSSCGKSA-N 1 1 309.385 3.209 20 5 DGBDMO CC1(C)C[C@@H]([N@@H+](CC[N+](=O)[O-])Cc2ccccc2)C(C)(C)O1 ZINC001192832334 1100667059 /nfs/dbraw/zinc/66/70/59/1100667059.db2.gz GZQFFZMQVKMCTJ-OAHLLOKOSA-N 1 1 306.406 3.111 20 5 DGBDMO C[C@@H](NCc1cccc([N+](=O)[O-])c1)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC001193251010 1100721594 /nfs/dbraw/zinc/72/15/94/1100721594.db2.gz SYXPGMGODIFBBJ-GDBMZVCRSA-N 1 1 317.433 3.337 20 5 DGBDMO O=[N+]([O-])c1cccc(OCC[N@H+]2CCSC[C@@H]2C2CCC2)c1 ZINC001195316017 1101121793 /nfs/dbraw/zinc/12/17/93/1101121793.db2.gz WNOWGCJPYYCISL-MRXNPFEDSA-N 1 1 322.430 3.191 20 5 DGBDMO C[C@H](C(=O)Nc1cccc([N+](=O)[O-])c1)[N@@H+](C)CCC(C)(C)C ZINC001195496571 1101150477 /nfs/dbraw/zinc/15/04/77/1101150477.db2.gz DPGYKZDVFGJPMN-GFCCVEGCSA-N 1 1 307.394 3.290 20 5 DGBDMO Cc1ccc(C[N@@H+](CCn2cc([N+](=O)[O-])cn2)C(C)(C)C)cc1 ZINC001196338279 1101287602 /nfs/dbraw/zinc/28/76/02/1101287602.db2.gz LCOYWUKJYIINKE-UHFFFAOYSA-N 1 1 316.405 3.400 20 5 DGBDMO C[C@@H]([NH2+]CCN1C[C@H](C)C[C@@H](C)C1)c1ccc([N+](=O)[O-])cc1 ZINC001197646332 1101621671 /nfs/dbraw/zinc/62/16/71/1101621671.db2.gz DWZZDNWGEQUUIN-RBSFLKMASA-N 1 1 305.422 3.223 20 5 DGBDMO O=[N+]([O-])c1ccc(CC[N@H+]2C[C@H]3C[C@@]3(c3ccccc3)C2)cc1 ZINC001197719162 1101641613 /nfs/dbraw/zinc/64/16/13/1101641613.db2.gz FRAKMRNQOINUEL-MJGOQNOKSA-N 1 1 308.381 3.411 20 5 DGBDMO COc1ccc([N+](=O)[O-])cc1C[N@@H+]1CCO[C@@H](C(C)(C)C)CC1 ZINC001198799509 1101992499 /nfs/dbraw/zinc/99/24/99/1101992499.db2.gz AKMMTOYULRBKAN-MRXNPFEDSA-N 1 1 322.405 3.240 20 5 DGBDMO COc1ccc([N+](=O)[O-])cc1C[N@H+]1CCO[C@@H](C(C)(C)C)CC1 ZINC001198799509 1101992507 /nfs/dbraw/zinc/99/25/07/1101992507.db2.gz AKMMTOYULRBKAN-MRXNPFEDSA-N 1 1 322.405 3.240 20 5 DGBDMO O=[N+]([O-])c1ccc2[nH+]ccc(N3CC[C@@H]4OCCC[C@@H]4C3)c2c1 ZINC001329286929 1104212065 /nfs/dbraw/zinc/21/20/65/1104212065.db2.gz INSDHAWFJAURAH-PXAZEXFGSA-N 1 1 313.357 3.148 20 5 DGBDMO C[NH+](C)Cc1ccc2nc(-c3cc(F)cc([N+](=O)[O-])c3)[nH]c2c1 ZINC001250899188 1105601684 /nfs/dbraw/zinc/60/16/84/1105601684.db2.gz JLTQVDVGMBVJSC-UHFFFAOYSA-N 1 1 314.320 3.339 20 5 DGBDMO CC[N@H+]1CCC[C@H](CN[C@@H](C)c2cc([N+](=O)[O-])ccc2C)C1 ZINC001253094262 1105887051 /nfs/dbraw/zinc/88/70/51/1105887051.db2.gz BANZXHJUWLMEJH-LSDHHAIUSA-N 1 1 305.422 3.286 20 5 DGBDMO Cc1[nH+]ccn1-c1ccc([N+](=O)[O-])c(-c2nnc(C3CC3)o2)c1 ZINC001254119923 1106019849 /nfs/dbraw/zinc/01/98/49/1106019849.db2.gz CRKCOLHUTFGVTB-UHFFFAOYSA-N 1 1 311.301 3.016 20 5 DGBDMO CO[C@H]1CCC[C@@H]2C[N@H+]([C@H](C)Cc3ccccc3[N+](=O)[O-])C[C@@H]21 ZINC001254556410 1106103543 /nfs/dbraw/zinc/10/35/43/1106103543.db2.gz KVTXMSILOWPRIY-KBEGMRNHSA-N 1 1 318.417 3.273 20 5 DGBDMO Cc1nc2c(s1)C[N@@H+]([C@@H](C)Cc1ccccc1[N+](=O)[O-])CC2 ZINC001254560150 1106103877 /nfs/dbraw/zinc/10/38/77/1106103877.db2.gz PQDAOXKGNRONHU-NSHDSACASA-N 1 1 317.414 3.349 20 5 DGBDMO COC(C)(C)[C@H]1CCC[N@H+]1[C@@H](C)Cc1ccccc1[N+](=O)[O-] ZINC001254560869 1106103933 /nfs/dbraw/zinc/10/39/33/1106103933.db2.gz YQTKUDAHIBJACS-XJKSGUPXSA-N 1 1 306.406 3.415 20 5 DGBDMO COCC[C@@H]1CCCC[N@H+]1[C@H](C)Cc1ccccc1[N+](=O)[O-] ZINC001254561682 1106104487 /nfs/dbraw/zinc/10/44/87/1106104487.db2.gz IERXFWJSDHGIPK-ZBFHGGJFSA-N 1 1 306.406 3.417 20 5 DGBDMO COC1C[C@H]2CC[C@@H](C1)[N@@H+]2[C@H](C)Cc1ccccc1[N+](=O)[O-] ZINC001254565350 1106105159 /nfs/dbraw/zinc/10/51/59/1106105159.db2.gz OLLDQJWHAIZOKC-SLHHOWHOSA-N 1 1 304.390 3.168 20 5 DGBDMO O=[N+]([O-])c1ccc2c(c1)C[C@H]([N@H+]1CCc3sccc3C1)C2 ZINC001254593259 1106109903 /nfs/dbraw/zinc/10/99/03/1106109903.db2.gz KPYFVAQRYQWQQP-OAHLLOKOSA-N 1 1 300.383 3.182 20 5 DGBDMO C[N@@H+](Cc1ccc(F)cc1)[C@H]1Cc2ccc([N+](=O)[O-])cc2C1 ZINC001254597304 1106110492 /nfs/dbraw/zinc/11/04/92/1106110492.db2.gz HBCBMTGQVFUBOQ-KRWDZBQOSA-N 1 1 300.333 3.333 20 5 DGBDMO Cc1[nH+]ccn1CCCSCCc1ccc([N+](=O)[O-])cc1 ZINC001261381753 1107425914 /nfs/dbraw/zinc/42/59/14/1107425914.db2.gz QXHMPBLMNUCEGZ-UHFFFAOYSA-N 1 1 305.403 3.466 20 5 DGBDMO CC[C@@H](NC[C@H]1CCC[N@H+](CC)C1)c1cccc([N+](=O)[O-])c1 ZINC001319382644 1108438454 /nfs/dbraw/zinc/43/84/54/1108438454.db2.gz HYMHNUGTKQKADK-RHSMWYFYSA-N 1 1 305.422 3.367 20 5 DGBDMO CC[C@@H](NC[C@H]1CCC[N@@H+](CC)C1)c1cccc([N+](=O)[O-])c1 ZINC001319382644 1108438461 /nfs/dbraw/zinc/43/84/61/1108438461.db2.gz HYMHNUGTKQKADK-RHSMWYFYSA-N 1 1 305.422 3.367 20 5 DGBDMO O=[N+]([O-])c1ccc(Cl)cc1C[N@H+]1CC[C@H]2OCCC[C@H]2C1 ZINC001319822288 1108651765 /nfs/dbraw/zinc/65/17/65/1108651765.db2.gz BARWBLRKMUVPLL-XHDPSFHLSA-N 1 1 310.781 3.249 20 5 DGBDMO C[NH+](C)[C@@H]1CCCC[C@H]1NC/C=C\c1ccccc1[N+](=O)[O-] ZINC001319832856 1108655751 /nfs/dbraw/zinc/65/57/51/1108655751.db2.gz UTLLOTFPHLGDCL-ZKVFWIFDSA-N 1 1 303.406 3.070 20 5 DGBDMO O=[N+]([O-])c1ccc(C(F)(F)F)cc1N[C@@H]1CC[N@H+](C2CC2)C1 ZINC001306943753 1111253297 /nfs/dbraw/zinc/25/32/97/1111253297.db2.gz QBOJRYXFCBUCCH-SNVBAGLBSA-N 1 1 315.295 3.262 20 5 DGBDMO CC[N@H+]1CCCC[C@@H]1CNc1nccc2c1cccc2[N+](=O)[O-] ZINC001306966120 1111255593 /nfs/dbraw/zinc/25/55/93/1111255593.db2.gz CTVBLSLPLLFWDU-CYBMUJFWSA-N 1 1 314.389 3.429 20 5 DGBDMO Cc1c([C@H](C)[NH2+]Cc2ccc([N+](=O)[O-])cc2Cl)cnn1C ZINC001307656254 1111324242 /nfs/dbraw/zinc/32/42/42/1111324242.db2.gz FRDLZZZLISJRSK-VIFPVBQESA-N 1 1 308.769 3.141 20 5 DGBDMO C/C(=C\c1cccc([N+](=O)[O-])c1)CNCC[N@@H+]1CCC(C)(C)C1 ZINC001308547077 1111440779 /nfs/dbraw/zinc/44/07/79/1111440779.db2.gz ILUJZJPJCNJWDJ-RVDMUPIBSA-N 1 1 317.433 3.320 20 5 DGBDMO C/C(=C\c1cccc([N+](=O)[O-])c1)CNCC[N@H+]1CCC(C)(C)C1 ZINC001308547077 1111440781 /nfs/dbraw/zinc/44/07/81/1111440781.db2.gz ILUJZJPJCNJWDJ-RVDMUPIBSA-N 1 1 317.433 3.320 20 5 DGBDMO C[N@H+](Cc1cc([N+](=O)[O-])ccc1Cl)C[C@@H]1CCSC1 ZINC000278432497 214149327 /nfs/dbraw/zinc/14/93/27/214149327.db2.gz KDFRSVSHSGJSFX-JTQLQIEISA-N 1 1 300.811 3.433 20 5 DGBDMO O=[N+]([O-])c1cccc2c(N[C@H]3CC[N@H+]4CCC[C@H]4C3)ccnc21 ZINC000322148670 231208809 /nfs/dbraw/zinc/20/88/09/231208809.db2.gz KUGBRCBTTLGTRT-STQMWFEESA-N 1 1 312.373 3.182 20 5 DGBDMO Cc1cc(C[C@@H](C)[NH2+][C@@H](C)c2ccc(C)c([N+](=O)[O-])c2)n[nH]1 ZINC000090528884 185300651 /nfs/dbraw/zinc/30/06/51/185300651.db2.gz GXUGIYIDQANVAK-YPMHNXCESA-N 1 1 302.378 3.217 20 5 DGBDMO CC[C@H](C)[N@@H+](C)CCNc1cc(C(F)(F)F)ncc1[N+](=O)[O-] ZINC000319105674 529690480 /nfs/dbraw/zinc/69/04/80/529690480.db2.gz LINQVVHJCNYYDP-VIFPVBQESA-N 1 1 320.315 3.151 20 5 DGBDMO O=[N+]([O-])c1ccc(C[N@H+]2CCC3(C2)CCOCC3)c(Cl)c1 ZINC000272828192 210228221 /nfs/dbraw/zinc/22/82/21/210228221.db2.gz QMXMYFVYIYKFFH-UHFFFAOYSA-N 1 1 310.781 3.251 20 5 DGBDMO Cc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@@H+]1C[C@@H](C)CC1(C)C ZINC000331020632 232357071 /nfs/dbraw/zinc/35/70/71/232357071.db2.gz XTSKYGRETPKGJX-LBPRGKRZSA-N 1 1 319.405 3.352 20 5 DGBDMO Cc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@@H+]1CCC[C@@H](C)CC1 ZINC000068838152 190786386 /nfs/dbraw/zinc/78/63/86/190786386.db2.gz WFGHGSYPBZNOFG-CYBMUJFWSA-N 1 1 319.405 3.354 20 5 DGBDMO C[C@@H]1[C@@H](C)CCC[N@H+]1Cc1nc(-c2ccc([N+](=O)[O-])cc2)no1 ZINC000172865260 198160293 /nfs/dbraw/zinc/16/02/93/198160293.db2.gz JGLAHVJWYZKMHZ-NWDGAFQWSA-N 1 1 316.361 3.265 20 5 DGBDMO CCC[C@H]1[C@H](C)CCC[N@H+]1Cc1ccc(C(N)=O)cc1[N+](=O)[O-] ZINC000072775178 191226993 /nfs/dbraw/zinc/22/69/93/191226993.db2.gz AFPAXHRSSCEARP-DOMZBBRYSA-N 1 1 319.405 3.094 20 5 DGBDMO Cc1ccc([N+](=O)[O-])cc1NC(=O)C[NH+]1CCC(C(C)C)CC1 ZINC000072717811 191221231 /nfs/dbraw/zinc/22/12/31/191221231.db2.gz JPTYWFCUFBVOIH-UHFFFAOYSA-N 1 1 319.405 3.210 20 5 DGBDMO CCOC[C@H]1CCC[N@@H+](Cc2cc(Cl)ccc2[N+](=O)[O-])C1 ZINC000174862563 198394615 /nfs/dbraw/zinc/39/46/15/198394615.db2.gz NAUQOEBXMXEIBC-LBPRGKRZSA-N 1 1 312.797 3.497 20 5 DGBDMO Cc1c([C@@H](C)NCC[N@@H+](C)C2CCCC2)cccc1[N+](=O)[O-] ZINC000133252772 432059483 /nfs/dbraw/zinc/05/94/83/432059483.db2.gz YVRDYOJYBWKXFO-CQSZACIVSA-N 1 1 305.422 3.428 20 5 DGBDMO Cc1c([C@@H](C)[NH2+]CCN(C)C2CCCC2)cccc1[N+](=O)[O-] ZINC000133252772 432059484 /nfs/dbraw/zinc/05/94/84/432059484.db2.gz YVRDYOJYBWKXFO-CQSZACIVSA-N 1 1 305.422 3.428 20 5 DGBDMO Cc1c([C@H](C)N[C@H]2C[C@H](C)[N@@H+](C3CC3)C2)cccc1[N+](=O)[O-] ZINC000166281625 432059984 /nfs/dbraw/zinc/05/99/84/432059984.db2.gz ZHINZWBZWUOYPJ-UBHSHLNASA-N 1 1 303.406 3.179 20 5 DGBDMO Cc1c([C@H](C)N[C@H]2C[C@H](C)[N@H+](C3CC3)C2)cccc1[N+](=O)[O-] ZINC000166281625 432059987 /nfs/dbraw/zinc/05/99/87/432059987.db2.gz ZHINZWBZWUOYPJ-UBHSHLNASA-N 1 1 303.406 3.179 20 5 DGBDMO COC(=O)C[C@@H]1CCC[N@H+]1Cc1ccc(C(C)C)c([N+](=O)[O-])c1 ZINC000179892748 432073819 /nfs/dbraw/zinc/07/38/19/432073819.db2.gz OKNICBHYZLLAAW-AWEZNQCLSA-N 1 1 320.389 3.246 20 5 DGBDMO C[C@@H](O)[C@H]1CC[N@@H+](Cc2ccc(-c3cccc([N+](=O)[O-])c3)o2)C1 ZINC000180857989 199219504 /nfs/dbraw/zinc/21/95/04/199219504.db2.gz HCHDZUXZMGHZND-OCCSQVGLSA-N 1 1 316.357 3.058 20 5 DGBDMO C[C@@H]1CN(Cc2c(F)cccc2[N+](=O)[O-])CC[N@H+](C2CCC2)C1 ZINC000429368311 238049653 /nfs/dbraw/zinc/04/96/53/238049653.db2.gz XWQORSDRWDFUGO-CYBMUJFWSA-N 1 1 321.396 3.040 20 5 DGBDMO C[C@@H]1C[N@@H+](CCc2ccc([N+](=O)[O-])cc2)Cc2ccccc2O1 ZINC000429115335 238040810 /nfs/dbraw/zinc/04/08/10/238040810.db2.gz OAWLFGBGXHOUMR-CQSZACIVSA-N 1 1 312.369 3.420 20 5 DGBDMO C[N@@H+](Cc1ccc([N+](=O)[O-])cc1[N+](=O)[O-])C(C1CC1)C1CC1 ZINC000193821823 201129575 /nfs/dbraw/zinc/12/95/75/201129575.db2.gz IRUYSCSYAQTJAM-UHFFFAOYSA-N 1 1 305.334 3.123 20 5 DGBDMO COc1ccc(OCC[N@@H+](C)[C@H]2CCC[C@H](C)C2)c([N+](=O)[O-])c1 ZINC000441184685 239017792 /nfs/dbraw/zinc/01/77/92/239017792.db2.gz WQEAYPCATBGIOS-KBPBESRZSA-N 1 1 322.405 3.493 20 5 DGBDMO COc1ccc(OCC[N@H+]2CCCC[C@H]2C(C)C)c([N+](=O)[O-])c1 ZINC000441387334 239046356 /nfs/dbraw/zinc/04/63/56/239046356.db2.gz VVGPXWBBMCGKRC-HNNXBMFYSA-N 1 1 322.405 3.493 20 5 DGBDMO COc1ccc(OCC[N@H+]2CCC[C@@H]2C2CCC2)c([N+](=O)[O-])c1 ZINC000441488579 239058173 /nfs/dbraw/zinc/05/81/73/239058173.db2.gz NDNOLEWLYNLBBR-OAHLLOKOSA-N 1 1 320.389 3.247 20 5 DGBDMO C[C@@H]1CC[N@@H+](Cc2nc3cc([N+](=O)[O-])ccc3[nH]2)C[C@@H](C)C1 ZINC000444659901 239316042 /nfs/dbraw/zinc/31/60/42/239316042.db2.gz FJVUWXMWVJPVIJ-NEPJUHHUSA-N 1 1 302.378 3.339 20 5 DGBDMO C[C@@H](Cc1ccccc1[N+](=O)[O-])[NH2+][C@@H](CCN(C)C)C(C)(C)C ZINC000449138096 240035569 /nfs/dbraw/zinc/03/55/69/240035569.db2.gz AUACWUULSCOECB-YOEHRIQHSA-N 1 1 321.465 3.482 20 5 DGBDMO CCC[N@H+](CC)C[C@H](C)N[C@@H](C)Cc1ccccc1[N+](=O)[O-] ZINC000449337287 240138951 /nfs/dbraw/zinc/13/89/51/240138951.db2.gz PIGHKEJIWOWOEL-GJZGRUSLSA-N 1 1 307.438 3.236 20 5 DGBDMO CCC[N@@H+](CC)C[C@H](C)N[C@@H](C)Cc1ccccc1[N+](=O)[O-] ZINC000449337287 240138957 /nfs/dbraw/zinc/13/89/57/240138957.db2.gz PIGHKEJIWOWOEL-GJZGRUSLSA-N 1 1 307.438 3.236 20 5 DGBDMO Cc1ccc(C[N@H+]2CCC[C@@H]2[C@H]2CCC[C@@H]2O)cc1[N+](=O)[O-] ZINC000449463828 240222360 /nfs/dbraw/zinc/22/23/60/240222360.db2.gz WXXXCULGNXIGJX-INMHGKMJSA-N 1 1 304.390 3.029 20 5 DGBDMO O=[N+]([O-])c1ccc([C@H]2CCC[N@@H+](CC[C@@H]3CCOC3)C2)cc1 ZINC000449504864 240254215 /nfs/dbraw/zinc/25/42/15/240254215.db2.gz WJBGRLIRQDZBBK-ZBFHGGJFSA-N 1 1 304.390 3.201 20 5 DGBDMO O=[N+]([O-])c1ccccc1/C=C/C[N@H+]1CC[C@@H]2C[C@H](O)CC[C@@H]2C1 ZINC000449557066 240288693 /nfs/dbraw/zinc/28/86/93/240288693.db2.gz UETIWQGXUWGIEH-KTGDWTQYSA-N 1 1 316.401 3.091 20 5 DGBDMO Cc1ccc(C[N@@H+]2CC[C@@H](C)[C@H](n3ccnc3)C2)cc1[N+](=O)[O-] ZINC000091960207 193131895 /nfs/dbraw/zinc/13/18/95/193131895.db2.gz WXNUCEVRTQDLOK-RHSMWYFYSA-N 1 1 314.389 3.183 20 5 DGBDMO O=[N+]([O-])c1ccc([C@H]2CCC[N@@H+](CCc3ccccn3)C2)cc1 ZINC000451550127 241167880 /nfs/dbraw/zinc/16/78/80/241167880.db2.gz RETYTMYCNBBKPJ-INIZCTEOSA-N 1 1 311.385 3.412 20 5 DGBDMO O=[N+]([O-])c1ccc([C@H]2CCC[N@@H+](CCOC3CCC3)C2)cc1 ZINC000451549580 241169182 /nfs/dbraw/zinc/16/91/82/241169182.db2.gz PNTDWSIINKNLHR-HNNXBMFYSA-N 1 1 304.390 3.343 20 5 DGBDMO O=[N+]([O-])c1ccc([C@H]2CCC[N@@H+](C[C@@H]3CCCCO3)C2)cc1 ZINC000451559593 241173682 /nfs/dbraw/zinc/17/36/82/241173682.db2.gz HHKWTVDJBMPVLV-RDJZCZTQSA-N 1 1 304.390 3.343 20 5 DGBDMO C[C@@H](c1nnc(-c2ccc([N+](=O)[O-])cc2)o1)[N@@H+](C)CCC1CC1 ZINC000135287668 432109811 /nfs/dbraw/zinc/10/98/11/432109811.db2.gz CQRNDWKGIKVOQI-NSHDSACASA-N 1 1 316.361 3.438 20 5 DGBDMO C[C@H]1C[N@@H+](Cc2ccc(-c3cccc([N+](=O)[O-])c3)o2)CC[C@@H]1O ZINC000190047453 432117469 /nfs/dbraw/zinc/11/74/69/432117469.db2.gz PFMHNSLPRXTFNE-LRDDRELGSA-N 1 1 316.357 3.058 20 5 DGBDMO C/C(=C/c1cccc([N+](=O)[O-])c1)CNCC(C)(C)C[NH+](C)C ZINC000468635948 244056305 /nfs/dbraw/zinc/05/63/05/244056305.db2.gz VMMFJHVKBQTWHZ-ZROIWOOFSA-N 1 1 305.422 3.176 20 5 DGBDMO C/C(=C/c1cccc([N+](=O)[O-])c1)C[NH2+]CC(C)(C)CN(C)C ZINC000468635948 244056310 /nfs/dbraw/zinc/05/63/10/244056310.db2.gz VMMFJHVKBQTWHZ-ZROIWOOFSA-N 1 1 305.422 3.176 20 5 DGBDMO C[C@H]1C[C@H](O)C[N@H+]1Cc1ccc(-c2ccc([N+](=O)[O-])cc2)s1 ZINC000471804841 244251206 /nfs/dbraw/zinc/25/12/06/244251206.db2.gz OXHWVWLCEXKDOM-FZMZJTMJSA-N 1 1 318.398 3.278 20 5 DGBDMO O=[N+]([O-])c1cccc(Cl)c1C[NH2+][C@H](CCO)c1ccccc1 ZINC000119650226 284147818 /nfs/dbraw/zinc/14/78/18/284147818.db2.gz NLLJDHOORJYWIL-OAHLLOKOSA-N 1 1 320.776 3.462 20 5 DGBDMO Cn1cc(C[N@H+]2CCC(C)(C)C2)c(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000093339787 193234573 /nfs/dbraw/zinc/23/45/73/193234573.db2.gz PRXWZOQDCSMRLL-UHFFFAOYSA-N 1 1 314.389 3.227 20 5 DGBDMO COc1cc(C[N@H+]2CC[C@H](C)[C@@H](C)C2)c([N+](=O)[O-])cc1OC ZINC000093480870 193257678 /nfs/dbraw/zinc/25/76/78/193257678.db2.gz DOKGPQADMHOKFY-RYUDHWBXSA-N 1 1 308.378 3.090 20 5 DGBDMO C[C@@H](O)CC[N@@H+](C)Cc1ccc(-c2ccccc2[N+](=O)[O-])o1 ZINC000093481436 193258128 /nfs/dbraw/zinc/25/81/28/193258128.db2.gz CECOGTKCUSQFLZ-GFCCVEGCSA-N 1 1 304.346 3.058 20 5 DGBDMO C[N@H+](Cc1cc([N+](=O)[O-])ccc1OC(F)F)CC1CCC1 ZINC000127753742 284350789 /nfs/dbraw/zinc/35/07/89/284350789.db2.gz DVPQOBIGLBLGBO-UHFFFAOYSA-N 1 1 300.305 3.428 20 5 DGBDMO C[C@@H](c1ccco1)[N@@H+](C)CCC(=O)Nc1ccccc1[N+](=O)[O-] ZINC000282823373 217275169 /nfs/dbraw/zinc/27/51/69/217275169.db2.gz YSQZETIAHQBMKP-LBPRGKRZSA-N 1 1 317.345 3.209 20 5 DGBDMO C[N@@H+](CCc1cccc([N+](=O)[O-])c1)Cc1cnn(C(C)(C)C)c1 ZINC000282959474 217351224 /nfs/dbraw/zinc/35/12/24/217351224.db2.gz HUSMHNHCIRYRNC-UHFFFAOYSA-N 1 1 316.405 3.221 20 5 DGBDMO CC[C@H](N[C@H]1CC[N@H+]2CCCC[C@@H]12)c1cccc([N+](=O)[O-])c1 ZINC000268775131 432130044 /nfs/dbraw/zinc/13/00/44/432130044.db2.gz NMSSVPCCDBGELC-ULQDDVLXSA-N 1 1 303.406 3.262 20 5 DGBDMO CC[C@H]([NH2+][C@H]1CCN2CCCC[C@@H]12)c1cccc([N+](=O)[O-])c1 ZINC000268775131 432130045 /nfs/dbraw/zinc/13/00/45/432130045.db2.gz NMSSVPCCDBGELC-ULQDDVLXSA-N 1 1 303.406 3.262 20 5 DGBDMO O=[N+]([O-])c1ccc(C[N@@H+]2CCC[C@@H](OCC3CC3)C2)c(F)c1 ZINC000494688702 246181736 /nfs/dbraw/zinc/18/17/36/246181736.db2.gz FZWBPTBCOKOZTM-OAHLLOKOSA-N 1 1 308.353 3.125 20 5 DGBDMO O=[N+]([O-])c1ccc(C[N@H+]2CCC[C@@H](OCC3CC3)C2)c(F)c1 ZINC000494688702 246181738 /nfs/dbraw/zinc/18/17/38/246181738.db2.gz FZWBPTBCOKOZTM-OAHLLOKOSA-N 1 1 308.353 3.125 20 5 DGBDMO O=[N+]([O-])c1cccc(F)c1C[N@@H+]1CCC[C@@H](OCC2CC2)C1 ZINC000494644139 246176005 /nfs/dbraw/zinc/17/60/05/246176005.db2.gz YUHHHEQKWNCIIZ-CYBMUJFWSA-N 1 1 308.353 3.125 20 5 DGBDMO O=[N+]([O-])c1cccc(F)c1C[N@H+]1CCC[C@@H](OCC2CC2)C1 ZINC000494644139 246176008 /nfs/dbraw/zinc/17/60/08/246176008.db2.gz YUHHHEQKWNCIIZ-CYBMUJFWSA-N 1 1 308.353 3.125 20 5 DGBDMO O=[N+]([O-])c1cnc(NC[C@H](c2ccco2)[NH+]2CCCCC2)s1 ZINC000190301890 432142756 /nfs/dbraw/zinc/14/27/56/432142756.db2.gz NYTSDYAQQGGFDZ-LLVKDONJSA-N 1 1 322.390 3.283 20 5 DGBDMO C[N@@H+](CCc1ccccc1[N+](=O)[O-])Cc1ccccc1[N+](=O)[O-] ZINC000285315221 218378023 /nfs/dbraw/zinc/37/80/23/218378023.db2.gz MLGVYHPGKXFTPO-UHFFFAOYSA-N 1 1 315.329 3.178 20 5 DGBDMO Cc1cc([N+](=O)[O-])cnc1NCCC[N@H+](C)C1CCCCC1 ZINC000110042126 194305614 /nfs/dbraw/zinc/30/56/14/194305614.db2.gz BMPFIFOKTZWFAB-UHFFFAOYSA-N 1 1 306.410 3.365 20 5 DGBDMO CN(Cc1cc([N+](=O)[O-])ccc1Cl)CC1CC[NH+](C)CC1 ZINC000063120739 184271879 /nfs/dbraw/zinc/27/18/79/184271879.db2.gz GAYJFNVHVXFZQF-UHFFFAOYSA-N 1 1 311.813 3.022 20 5 DGBDMO Cc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@H+](CC(C)C)C1CC1 ZINC000063493188 184283454 /nfs/dbraw/zinc/28/34/54/184283454.db2.gz LGCJSSCBXFSUJJ-UHFFFAOYSA-N 1 1 319.405 3.352 20 5 DGBDMO C[C@@H]1CCC[C@@H]([N@@H+](C)CCC(=O)Nc2ccccc2[N+](=O)[O-])C1 ZINC000336999646 253033558 /nfs/dbraw/zinc/03/35/58/253033558.db2.gz RFOBTPGIPKQPHT-ZIAGYGMSSA-N 1 1 319.405 3.434 20 5 DGBDMO CC[C@H]1CCC[N@@H+](CCC(=O)Nc2ccccc2[N+](=O)[O-])CC1 ZINC000337252764 253070599 /nfs/dbraw/zinc/07/05/99/253070599.db2.gz OZUHFQMYDHLLBI-AWEZNQCLSA-N 1 1 319.405 3.436 20 5 DGBDMO O=[N+]([O-])c1cc(Cl)cc(Cl)c1N1CC[N@H+]2CCC[C@H]2C1 ZINC000341742448 285088319 /nfs/dbraw/zinc/08/83/19/285088319.db2.gz DTVXBNDQBINARB-JTQLQIEISA-N 1 1 316.188 3.186 20 5 DGBDMO C[N@H+](CCc1cccc([N+](=O)[O-])c1)Cc1nc2ccccc2[nH]1 ZINC000338366389 253274311 /nfs/dbraw/zinc/27/43/11/253274311.db2.gz XKAAXKXQNXZJKP-UHFFFAOYSA-N 1 1 310.357 3.146 20 5 DGBDMO C[N@@H+](CCc1cccc([N+](=O)[O-])c1)Cc1nc2ccccc2[nH]1 ZINC000338366389 253274314 /nfs/dbraw/zinc/27/43/14/253274314.db2.gz XKAAXKXQNXZJKP-UHFFFAOYSA-N 1 1 310.357 3.146 20 5 DGBDMO C[C@@H](c1cccc([N+](=O)[O-])c1)[N@H+]1CCC[C@H](n2cccn2)C1 ZINC000338728656 253342560 /nfs/dbraw/zinc/34/25/60/253342560.db2.gz ZSIUDVHDEGTNNH-BBRMVZONSA-N 1 1 300.362 3.189 20 5 DGBDMO C[C@H](c1ccccc1Cl)[N@H+](C)CCn1cc([N+](=O)[O-])cn1 ZINC000157730986 197210664 /nfs/dbraw/zinc/21/06/64/197210664.db2.gz UGJLATPLKVIZHJ-LLVKDONJSA-N 1 1 308.769 3.138 20 5 DGBDMO C[C@H](c1ccccc1Cl)[N@@H+](C)CCn1cc([N+](=O)[O-])cn1 ZINC000157730986 197210666 /nfs/dbraw/zinc/21/06/66/197210666.db2.gz UGJLATPLKVIZHJ-LLVKDONJSA-N 1 1 308.769 3.138 20 5 DGBDMO CC[C@@H](C)C[N@@H+](CC)[C@@H](C)C(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000343682061 254177616 /nfs/dbraw/zinc/17/76/16/254177616.db2.gz HSVALVJFTACTFC-OLZOCXBDSA-N 1 1 307.394 3.290 20 5 DGBDMO C[C@H](c1ccccc1[N+](=O)[O-])N1CCC2(CCC[N@H+]2C)CC1 ZINC000343750647 254184534 /nfs/dbraw/zinc/18/45/34/254184534.db2.gz OCBRTPCVBZKKRG-CQSZACIVSA-N 1 1 303.406 3.216 20 5 DGBDMO C[C@@H](C(=O)Nc1ccc([N+](=O)[O-])cc1)[N@@H+](C)C[C@H]1CC=CCC1 ZINC000344054586 254218745 /nfs/dbraw/zinc/21/87/45/254218745.db2.gz JGQYTADDWSYSKP-KBPBESRZSA-N 1 1 317.389 3.210 20 5 DGBDMO CCC[N@@H+](C)C[C@@H]1CCN(C/C=C\c2ccccc2[N+](=O)[O-])C1 ZINC000255848676 285182316 /nfs/dbraw/zinc/18/23/16/285182316.db2.gz VKMRFIZLRIGSPS-IOBAAEILSA-N 1 1 317.433 3.272 20 5 DGBDMO CC[C@]1(C)CC[N@H+]([C@@H](C)C(=O)Nc2ccccc2[N+](=O)[O-])C1 ZINC000344283007 254249987 /nfs/dbraw/zinc/24/99/87/254249987.db2.gz WCDFHVSKVZLTFQ-BLLLJJGKSA-N 1 1 305.378 3.044 20 5 DGBDMO C[N@@H+](CCC1CCOCC1)Cc1cc([N+](=O)[O-])ccc1Cl ZINC000120585525 195195794 /nfs/dbraw/zinc/19/57/94/195195794.db2.gz PJAZVXCUCBFZBE-UHFFFAOYSA-N 1 1 312.797 3.497 20 5 DGBDMO CC(=O)Nc1cccc([C@@H](C)[NH2+]Cc2ccccc2[N+](=O)[O-])c1 ZINC000120693223 195218116 /nfs/dbraw/zinc/21/81/16/195218116.db2.gz AVOBPUUQZGNWCO-GFCCVEGCSA-N 1 1 313.357 3.404 20 5 DGBDMO COc1ccc([N+](=O)[O-])cc1C[N@H+]1CCC[C@H](CSC)C1 ZINC000292441155 533218196 /nfs/dbraw/zinc/21/81/96/533218196.db2.gz OLXHWSOZHLWKHA-LBPRGKRZSA-N 1 1 310.419 3.178 20 5 DGBDMO CC[N@@H+](Cc1ccc(OC)c([N+](=O)[O-])c1)[C@@H]1CCOC(C)(C)C1 ZINC000289796114 221231464 /nfs/dbraw/zinc/23/14/64/221231464.db2.gz MQJZBANQYOFVFD-CQSZACIVSA-N 1 1 322.405 3.383 20 5 DGBDMO CC1(C)C[N@@H+](CCc2ccc([N+](=O)[O-])cc2)[C@H]1[C@H]1CCCO1 ZINC000289803762 221236329 /nfs/dbraw/zinc/23/63/29/221236329.db2.gz NWTBPSOBVDRTCC-CVEARBPZSA-N 1 1 304.390 3.027 20 5 DGBDMO COc1cncc(C[N@H+](Cc2cccc([N+](=O)[O-])c2)C2CC2)c1 ZINC000289912212 221311095 /nfs/dbraw/zinc/31/10/95/221311095.db2.gz NLIFXZQEUQZMPT-UHFFFAOYSA-N 1 1 313.357 3.163 20 5 DGBDMO COc1cncc(C[N@@H+](Cc2cccc([N+](=O)[O-])c2)C2CC2)c1 ZINC000289912212 221311099 /nfs/dbraw/zinc/31/10/99/221311099.db2.gz NLIFXZQEUQZMPT-UHFFFAOYSA-N 1 1 313.357 3.163 20 5 DGBDMO CCOc1cc(C[N@@H+]([C@H](C)CO)C2CCCC2)ccc1[N+](=O)[O-] ZINC000347156475 285335779 /nfs/dbraw/zinc/33/57/79/285335779.db2.gz CPSMKLJMYCVWPY-CYBMUJFWSA-N 1 1 322.405 3.119 20 5 DGBDMO C/C(=C/c1cccc([N+](=O)[O-])c1)C[N@@H+](C)CC1(N(C)C)CCC1 ZINC000470212490 533380487 /nfs/dbraw/zinc/38/04/87/533380487.db2.gz VSADWEITZFXIGA-PTNGSMBKSA-N 1 1 317.433 3.414 20 5 DGBDMO C/C(=C/c1cccc([N+](=O)[O-])c1)C[N@H+](C)CC1(N(C)C)CCC1 ZINC000470212490 533380490 /nfs/dbraw/zinc/38/04/90/533380490.db2.gz VSADWEITZFXIGA-PTNGSMBKSA-N 1 1 317.433 3.414 20 5 DGBDMO C/C(=C/c1cccc([N+](=O)[O-])c1)C[N@@H+](C)C[C@@H]1CCC[C@H]1O ZINC000470181500 533381674 /nfs/dbraw/zinc/38/16/74/533381674.db2.gz DEPUVPIOWAVTIU-DZKOEADISA-N 1 1 304.390 3.091 20 5 DGBDMO C/C(=C\c1cccc([N+](=O)[O-])c1)C[N@@H+](C)C[C@H]1CCCCO1 ZINC000470174521 533407938 /nfs/dbraw/zinc/40/79/38/533407938.db2.gz LROMUWLEKAWCLM-IDKBZEPQSA-N 1 1 304.390 3.499 20 5 DGBDMO CC(C)c1ccc([C@@H](C)[NH2+]Cc2c([N+](=O)[O-])ncn2C)cc1 ZINC000356813340 285501342 /nfs/dbraw/zinc/50/13/42/285501342.db2.gz QDDBGOSYQUKSSI-GFCCVEGCSA-N 1 1 302.378 3.303 20 5 DGBDMO COc1cc([N+](=O)[O-])ccc1[C@H](C)[NH2+]Cc1cnccc1C ZINC000595040130 400086196 /nfs/dbraw/zinc/08/61/96/400086196.db2.gz CUQGZKZVYUCBFA-LBPRGKRZSA-N 1 1 301.346 3.158 20 5 DGBDMO Cc1ccc([N+](=O)[O-])cc1[C@@H](C)N[C@H]1CC[N@H+](C(C)(C)C)C1 ZINC000595056531 400092968 /nfs/dbraw/zinc/09/29/68/400092968.db2.gz LFNGNFFVUVDADB-KGLIPLIRSA-N 1 1 305.422 3.427 20 5 DGBDMO Cc1ccc([N+](=O)[O-])cc1[C@@H](C)[NH2+][C@H]1CCN(C(C)(C)C)C1 ZINC000595056531 400092972 /nfs/dbraw/zinc/09/29/72/400092972.db2.gz LFNGNFFVUVDADB-KGLIPLIRSA-N 1 1 305.422 3.427 20 5 DGBDMO COc1cc([N+](=O)[O-])ccc1[C@H](C)N[C@@H]1CC[N@H+](C(C)(C)C)C1 ZINC000595056570 400093317 /nfs/dbraw/zinc/09/33/17/400093317.db2.gz MIBKTMMGCBCJRO-QWHCGFSZSA-N 1 1 321.421 3.127 20 5 DGBDMO COc1cc([N+](=O)[O-])ccc1[C@H](C)[NH2+][C@@H]1CCN(C(C)(C)C)C1 ZINC000595056570 400093327 /nfs/dbraw/zinc/09/33/27/400093327.db2.gz MIBKTMMGCBCJRO-QWHCGFSZSA-N 1 1 321.421 3.127 20 5 DGBDMO C[C@H]([NH2+][C@H]1CC(C)(C)c2ccc([N+](=O)[O-])cc21)c1nccn1C ZINC000595108560 400109062 /nfs/dbraw/zinc/10/90/62/400109062.db2.gz SKWLZLXOPDKUMZ-NHYWBVRUSA-N 1 1 314.389 3.402 20 5 DGBDMO C[N@@H+](Cc1ccc(F)cc1[N+](=O)[O-])C1Cc2ccccc2C1 ZINC000595295760 400120555 /nfs/dbraw/zinc/12/05/55/400120555.db2.gz REZRXZXEYOWEOJ-UHFFFAOYSA-N 1 1 300.333 3.333 20 5 DGBDMO CC[N@@H+](CCCOc1ccc([N+](=O)[O-])cc1)Cc1ccoc1 ZINC000608833392 400127917 /nfs/dbraw/zinc/12/79/17/400127917.db2.gz YXJBUFFWMHGOGO-UHFFFAOYSA-N 1 1 304.346 3.479 20 5 DGBDMO CN(CC[C@H]1CCCC[N@H+]1C)Cc1ccc(F)cc1[N+](=O)[O-] ZINC000595327482 400128718 /nfs/dbraw/zinc/12/87/18/400128718.db2.gz OURVLIKCXFQJKM-OAHLLOKOSA-N 1 1 309.385 3.040 20 5 DGBDMO Cc1c(C[N@H+](C[C@H](C)O)C2CCCCC2)cccc1[N+](=O)[O-] ZINC000608869028 400129513 /nfs/dbraw/zinc/12/95/13/400129513.db2.gz LGEPUMJUESQBNM-ZDUSSCGKSA-N 1 1 306.406 3.419 20 5 DGBDMO O=[N+]([O-])c1cc(F)ccc1C[N@H+]1CCC[C@@]2(CCCOC2)C1 ZINC000595333202 400129954 /nfs/dbraw/zinc/12/99/54/400129954.db2.gz NDSXXOVBOJRDQR-MRXNPFEDSA-N 1 1 308.353 3.127 20 5 DGBDMO COc1ccc([C@@H]([NH2+]Cc2onc(C)c2[N+](=O)[O-])C(C)C)cc1 ZINC000595407268 400140507 /nfs/dbraw/zinc/14/05/07/400140507.db2.gz FSUOZUNYDGEXBM-HNNXBMFYSA-N 1 1 319.361 3.387 20 5 DGBDMO C[C@@H](C(=O)Nc1ccccc1[N+](=O)[O-])[NH+]1CCC2(CCC2)CC1 ZINC000586783006 400154447 /nfs/dbraw/zinc/15/44/47/400154447.db2.gz IJTZBICEGDBYOW-ZDUSSCGKSA-N 1 1 317.389 3.188 20 5 DGBDMO CC(C)[N@@H+](C)C[C@@H](C)Nc1cc(C(F)(F)F)ncc1[N+](=O)[O-] ZINC000319744679 400161262 /nfs/dbraw/zinc/16/12/62/400161262.db2.gz UCDTZUZVBUACEK-SECBINFHSA-N 1 1 320.315 3.149 20 5 DGBDMO C[C@H]1CN(Cc2ccc(F)cc2[N+](=O)[O-])CC[N@H+](C2CCC2)C1 ZINC000595502214 400170674 /nfs/dbraw/zinc/17/06/74/400170674.db2.gz QXFBHAIHBPAYAZ-ZDUSSCGKSA-N 1 1 321.396 3.040 20 5 DGBDMO CC[N@H+]1CCC[C@H]1CNc1ccc([N+](=O)[O-])c2cnccc12 ZINC000067948942 400219201 /nfs/dbraw/zinc/21/92/01/400219201.db2.gz WRWWUMICJDOZEO-LBPRGKRZSA-N 1 1 300.362 3.039 20 5 DGBDMO C[C@H](CO)[C@H]1CCCC[N@H+]1Cc1ccc(Cl)cc1[N+](=O)[O-] ZINC000595676733 400224673 /nfs/dbraw/zinc/22/46/73/400224673.db2.gz NSJWEVMBANSESH-BXUZGUMPSA-N 1 1 312.797 3.231 20 5 DGBDMO CCOc1ccc(NC(=O)C[N@@H+](CC)[C@@H](C)CC)c([N+](=O)[O-])c1 ZINC000595593418 400197168 /nfs/dbraw/zinc/19/71/68/400197168.db2.gz PQWJBFWLRHTUOD-LBPRGKRZSA-N 1 1 323.393 3.052 20 5 DGBDMO CC[C@H](C)[N@@H+](CC)Cc1nnc(-c2ccc([N+](=O)[O-])cc2)o1 ZINC000595593762 400197305 /nfs/dbraw/zinc/19/73/05/400197305.db2.gz UTUFXFHDCVEAFF-NSHDSACASA-N 1 1 304.350 3.265 20 5 DGBDMO O=C1CCCC12CC[NH+](Cc1ccc([N+](=O)[O-])cc1F)CC2 ZINC000595808136 400265001 /nfs/dbraw/zinc/26/50/01/400265001.db2.gz SYZYGPHHZZQAGW-UHFFFAOYSA-N 1 1 306.337 3.069 20 5 DGBDMO O=[N+]([O-])c1cccc(F)c1C[N@@H+]1CC[C@@H](Oc2ccccc2)C1 ZINC000595832429 400274900 /nfs/dbraw/zinc/27/49/00/400274900.db2.gz QKSQKBPTKPQPKE-CQSZACIVSA-N 1 1 316.332 3.387 20 5 DGBDMO O=[N+]([O-])c1cccc(F)c1C[N@H+]1CC[C@@H](Oc2ccccc2)C1 ZINC000595832429 400274902 /nfs/dbraw/zinc/27/49/02/400274902.db2.gz QKSQKBPTKPQPKE-CQSZACIVSA-N 1 1 316.332 3.387 20 5 DGBDMO C[C@H](c1nnc(-c2ccc([N+](=O)[O-])cc2)o1)[N@@H+]1C[C@@H]2CCC[C@@H]21 ZINC000610585259 400279497 /nfs/dbraw/zinc/27/94/97/400279497.db2.gz HTBHKRCWLLZGSH-OSMZGAPFSA-N 1 1 314.345 3.190 20 5 DGBDMO C[C@H](c1nnc(-c2ccc([N+](=O)[O-])cc2)o1)[N@H+]1C[C@@H]2CCC[C@@H]21 ZINC000610585259 400279504 /nfs/dbraw/zinc/27/95/04/400279504.db2.gz HTBHKRCWLLZGSH-OSMZGAPFSA-N 1 1 314.345 3.190 20 5 DGBDMO Cc1c(C[NH2+][C@@H](CO)c2ccc(F)cc2F)cccc1[N+](=O)[O-] ZINC000595868226 400283817 /nfs/dbraw/zinc/28/38/17/400283817.db2.gz UNZUFTYZJQMEJT-HNNXBMFYSA-N 1 1 322.311 3.005 20 5 DGBDMO Cc1c(NC(=O)[C@H](C)[N@@H+](C)C[C@H]2CC2(C)C)cccc1[N+](=O)[O-] ZINC000595910853 400292425 /nfs/dbraw/zinc/29/24/25/400292425.db2.gz SWSVVQPSUUGWIU-QWHCGFSZSA-N 1 1 319.405 3.208 20 5 DGBDMO Cc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@H+](C)C[C@@H]1CC1(C)C ZINC000595911572 400293558 /nfs/dbraw/zinc/29/35/58/400293558.db2.gz YPOHALAAYJWWOX-ZDUSSCGKSA-N 1 1 319.405 3.210 20 5 DGBDMO COC(=O)c1ccc([N+](=O)[O-])c(C[N@H+](C)Cc2ccccc2)c1 ZINC000589493741 400300342 /nfs/dbraw/zinc/30/03/42/400300342.db2.gz YWJGZFBRYGNTAF-UHFFFAOYSA-N 1 1 314.341 3.013 20 5 DGBDMO COC(=O)c1ccc([N+](=O)[O-])c(C[N@@H+](C)Cc2ccccc2)c1 ZINC000589493741 400300349 /nfs/dbraw/zinc/30/03/49/400300349.db2.gz YWJGZFBRYGNTAF-UHFFFAOYSA-N 1 1 314.341 3.013 20 5 DGBDMO CC(C)[C@H]([NH3+])CCNCc1ccc(-c2ccccc2[N+](=O)[O-])o1 ZINC000596106087 400318426 /nfs/dbraw/zinc/31/84/26/400318426.db2.gz PHJLLPRHOHXXQW-OAHLLOKOSA-N 1 1 317.389 3.318 20 5 DGBDMO CC[N@@H+](CCNc1ccc([N+](=O)[O-])s1)CCC(F)(F)F ZINC000617210307 400330522 /nfs/dbraw/zinc/33/05/22/400330522.db2.gz ZOBPZSKCAVWOLN-UHFFFAOYSA-N 1 1 311.329 3.343 20 5 DGBDMO CCOc1ccc(C[NH2+]C(C)(C)c2ccccc2[N+](=O)[O-])nc1 ZINC000589938065 400339519 /nfs/dbraw/zinc/33/95/19/400339519.db2.gz WAAUYINFCZENBL-UHFFFAOYSA-N 1 1 315.373 3.413 20 5 DGBDMO COc1cc(NCCCC[N@@H+](C)C2CC2)c([N+](=O)[O-])cc1C ZINC000596261829 400364690 /nfs/dbraw/zinc/36/46/90/400364690.db2.gz XFGWCIDNGWMDDI-UHFFFAOYSA-N 1 1 307.394 3.198 20 5 DGBDMO CC[N@H+]1CCCN(c2nc3ccccc3cc2[N+](=O)[O-])[C@H](C)C1 ZINC000596268126 400367114 /nfs/dbraw/zinc/36/71/14/400367114.db2.gz DWOLXOZKLBGUNW-CYBMUJFWSA-N 1 1 314.389 3.064 20 5 DGBDMO O=[N+]([O-])c1ccccc1/C=C\C[N@@H+]1CCc2ccc(O)cc2CC1 ZINC000611266572 400368584 /nfs/dbraw/zinc/36/85/84/400368584.db2.gz AHMXLIUIXWHMEX-HYXAFXHYSA-N 1 1 324.380 3.414 20 5 DGBDMO O=[N+]([O-])c1cc2c(cc1C[N@H+]1CCC[C@H]1C1CCC1)OCCO2 ZINC000611267342 400369384 /nfs/dbraw/zinc/36/93/84/400369384.db2.gz QHBMCPPPMQUULT-AWEZNQCLSA-N 1 1 318.373 3.131 20 5 DGBDMO CC(C)[C@H]1C[N@@H+](CCCOc2ccc([N+](=O)[O-])cc2)CCCO1 ZINC000590211011 400370074 /nfs/dbraw/zinc/37/00/74/400370074.db2.gz QKQHXAJSLFOKHF-QGZVFWFLSA-N 1 1 322.405 3.111 20 5 DGBDMO C[C@@H]1COCCC[N@H+]1Cc1ccc(-c2ccccc2[N+](=O)[O-])o1 ZINC000611272346 400371372 /nfs/dbraw/zinc/37/13/72/400371372.db2.gz ANEBNYVQLZNMPZ-CYBMUJFWSA-N 1 1 316.357 3.466 20 5 DGBDMO CC(C)(C)[N@H+]1CC[C@@H]1CNc1ccc([N+](=O)[O-])c2cnccc12 ZINC000596305787 400374604 /nfs/dbraw/zinc/37/46/04/400374604.db2.gz ALTOTNIGAVGGKD-GFCCVEGCSA-N 1 1 314.389 3.428 20 5 DGBDMO CC(C)(C)[N@H+]1CC[C@@H](CNc2ncc(Cl)cc2[N+](=O)[O-])C1 ZINC000596305814 400374687 /nfs/dbraw/zinc/37/46/87/400374687.db2.gz APPUDKWYRHZBSN-JTQLQIEISA-N 1 1 312.801 3.176 20 5 DGBDMO COc1cc(NC[C@H]2CC[N@H+]2C(C)(C)C)c(F)cc1[N+](=O)[O-] ZINC000596305902 400374802 /nfs/dbraw/zinc/37/48/02/400374802.db2.gz COEVRHNBGYRCMS-SNVBAGLBSA-N 1 1 311.357 3.027 20 5 DGBDMO CC(C)(C)[N@H+]1CC[C@H]1CNc1ccc([N+](=O)[O-])c2cccnc12 ZINC000596308796 400376898 /nfs/dbraw/zinc/37/68/98/400376898.db2.gz VHGLIXAGEJWHKI-LBPRGKRZSA-N 1 1 314.389 3.428 20 5 DGBDMO O=[N+]([O-])c1cnc(N[C@@H]2CC[N@H+](C3CCCCC3)C2)c(Cl)c1 ZINC000596477894 400424175 /nfs/dbraw/zinc/42/41/75/400424175.db2.gz LNZSSRIRRHHCGV-LLVKDONJSA-N 1 1 324.812 3.462 20 5 DGBDMO Cc1cc(N[C@@H]2CC[N@H+](C3CCCCC3)C2)ncc1[N+](=O)[O-] ZINC000596480944 400425705 /nfs/dbraw/zinc/42/57/05/400425705.db2.gz VGARSBUSONCZAP-CYBMUJFWSA-N 1 1 304.394 3.117 20 5 DGBDMO CCC[N@H+]1CC[C@@H](Nc2ccc(C(=O)CC)cc2[N+](=O)[O-])C1 ZINC000596518011 400435697 /nfs/dbraw/zinc/43/56/97/400435697.db2.gz SIVYZKRIEBMBMO-CYBMUJFWSA-N 1 1 305.378 3.084 20 5 DGBDMO CCC[N@H+]1CC[C@@H](Nc2nccc3c2cccc3[N+](=O)[O-])C1 ZINC000596518548 400436397 /nfs/dbraw/zinc/43/63/97/400436397.db2.gz WJJPOBAJPQWZBC-GFCCVEGCSA-N 1 1 300.362 3.039 20 5 DGBDMO CC(C)CCO[C@@H]1CC[N@H+](Cc2ccc(F)cc2[N+](=O)[O-])C1 ZINC000596618693 400460204 /nfs/dbraw/zinc/46/02/04/400460204.db2.gz WWEBWPYDSCHFAT-OAHLLOKOSA-N 1 1 310.369 3.371 20 5 DGBDMO CC(C)CCO[C@@H]1CC[N@@H+](Cc2ccc(F)cc2[N+](=O)[O-])C1 ZINC000596618693 400460210 /nfs/dbraw/zinc/46/02/10/400460210.db2.gz WWEBWPYDSCHFAT-OAHLLOKOSA-N 1 1 310.369 3.371 20 5 DGBDMO C[N@@H+](CCC(=O)Nc1ccccc1[N+](=O)[O-])CC1CCCCC1 ZINC000044715110 400500106 /nfs/dbraw/zinc/50/01/06/400500106.db2.gz AXAJTQWYFKADGQ-UHFFFAOYSA-N 1 1 319.405 3.436 20 5 DGBDMO Cc1ccc([N+](=O)[O-])cc1NC(=O)C[N@H+](CCC(C)C)C1CC1 ZINC000044898445 400505455 /nfs/dbraw/zinc/50/54/55/400505455.db2.gz BACCIWPNYCWVBF-UHFFFAOYSA-N 1 1 319.405 3.352 20 5 DGBDMO CO[C@@H]1CCC[N@H+](Cc2ccc(C(F)(F)F)cc2[N+](=O)[O-])C1 ZINC000602451138 400466911 /nfs/dbraw/zinc/46/69/11/400466911.db2.gz YEBNCJCWXPMPPW-GFCCVEGCSA-N 1 1 318.295 3.224 20 5 DGBDMO CO[C@@H]1CCC[N@@H+](Cc2ccc(C(F)(F)F)cc2[N+](=O)[O-])C1 ZINC000602451138 400466912 /nfs/dbraw/zinc/46/69/12/400466912.db2.gz YEBNCJCWXPMPPW-GFCCVEGCSA-N 1 1 318.295 3.224 20 5 DGBDMO C[C@@H]1C[N@H+](Cc2ccc(C(F)(F)F)cc2[N+](=O)[O-])CCCO1 ZINC000602459400 400467968 /nfs/dbraw/zinc/46/79/68/400467968.db2.gz OPIVXTADCLJCLJ-SNVBAGLBSA-N 1 1 318.295 3.224 20 5 DGBDMO C[C@@H]1C[N@@H+](Cc2ccc(C(F)(F)F)cc2[N+](=O)[O-])CCCO1 ZINC000602459400 400467971 /nfs/dbraw/zinc/46/79/71/400467971.db2.gz OPIVXTADCLJCLJ-SNVBAGLBSA-N 1 1 318.295 3.224 20 5 DGBDMO CC[C@@H](CSc1ccccc1[N+](=O)[O-])NCC1([NH3+])CCCC1 ZINC000596649318 400472190 /nfs/dbraw/zinc/47/21/90/400472190.db2.gz YPDJRTPSKSKEQR-ZDUSSCGKSA-N 1 1 323.462 3.327 20 5 DGBDMO O=[N+]([O-])c1cc(C[N@H+]2CC[C@@H](C3CCC3)C2)c2c(c1)COCO2 ZINC000591061809 400480533 /nfs/dbraw/zinc/48/05/33/400480533.db2.gz JFKUTHOPNGKBFB-CYBMUJFWSA-N 1 1 318.373 3.083 20 5 DGBDMO CCCC[N@@H+](Cc1cc([N+](=O)[O-])cc2c1OCOC2)C1CC1 ZINC000046602872 400571217 /nfs/dbraw/zinc/57/12/17/400571217.db2.gz YFDWYSZPYWTWSM-UHFFFAOYSA-N 1 1 306.362 3.226 20 5 DGBDMO CC[C@@H]1c2ccccc2CC[N@@H+]1CCn1c(C)ncc1[N+](=O)[O-] ZINC000602788104 400574723 /nfs/dbraw/zinc/57/47/23/400574723.db2.gz ROYQOYNQOBPXQQ-MRXNPFEDSA-N 1 1 314.389 3.109 20 5 DGBDMO C[C@H]1CCCC[N@H+]1Cc1nc(-c2ccc([N+](=O)[O-])cc2)no1 ZINC000047406600 400613908 /nfs/dbraw/zinc/61/39/08/400613908.db2.gz JGCRKFKZFAHKGZ-NSHDSACASA-N 1 1 302.334 3.019 20 5 DGBDMO O=[N+]([O-])c1cccc(N2CC[NH+](Cc3ccccc3F)CC2)c1 ZINC000047744190 400630068 /nfs/dbraw/zinc/63/00/68/400630068.db2.gz DMBZWQSOUZTISA-UHFFFAOYSA-N 1 1 315.348 3.056 20 5 DGBDMO CSC[C@@H]1CCC[N@H+]1Cc1nc2cc([N+](=O)[O-])ccc2o1 ZINC000135442079 400586680 /nfs/dbraw/zinc/58/66/80/400586680.db2.gz RATLVSHCIQZXKQ-NSHDSACASA-N 1 1 307.375 3.063 20 5 DGBDMO CSC[C@H]1CCC[N@H+]1Cc1nc2cc([N+](=O)[O-])ccc2o1 ZINC000135442098 400586757 /nfs/dbraw/zinc/58/67/57/400586757.db2.gz RATLVSHCIQZXKQ-LLVKDONJSA-N 1 1 307.375 3.063 20 5 DGBDMO CC(C)c1ccc(C[N@H+]2C[C@@H]3COC[C@]3(C)C2)cc1[N+](=O)[O-] ZINC000597211681 400589455 /nfs/dbraw/zinc/58/94/55/400589455.db2.gz NOAGNAMSLIWNJJ-PBHICJAKSA-N 1 1 304.390 3.187 20 5 DGBDMO Cc1ccc(C[NH2+][C@@H](CCO)c2ccccc2F)cc1[N+](=O)[O-] ZINC000592376343 400640904 /nfs/dbraw/zinc/64/09/04/400640904.db2.gz AEDCHUGVVBVMEQ-INIZCTEOSA-N 1 1 318.348 3.256 20 5 DGBDMO C[C@@H]1C[C@H](C)C[N@H+](CCCCNc2ccc([N+](=O)[O-])nc2)C1 ZINC000076799062 400672574 /nfs/dbraw/zinc/67/25/74/400672574.db2.gz NAPWETYAGQGXEV-OKILXGFUSA-N 1 1 306.410 3.160 20 5 DGBDMO CC(C)CC[N@@H+](C)Cc1nnc(-c2ccc([N+](=O)[O-])cc2)o1 ZINC000076794537 400673132 /nfs/dbraw/zinc/67/31/32/400673132.db2.gz FTZKUKQTGATMPK-UHFFFAOYSA-N 1 1 304.350 3.123 20 5 DGBDMO C[C@@H]1CC[N@@H+](CCn2ccc([N+](=O)[O-])n2)CC12CCCCC2 ZINC000613188901 400669779 /nfs/dbraw/zinc/66/97/79/400669779.db2.gz NCRGTHVMNXMZAO-CQSZACIVSA-N 1 1 306.410 3.084 20 5 DGBDMO O=[N+]([O-])c1ccc(C[N@H+]2CCCN(c3ccccc3)CC2)cc1 ZINC000603869647 400727835 /nfs/dbraw/zinc/72/78/35/400727835.db2.gz QJACOIPNRSQUAF-UHFFFAOYSA-N 1 1 311.385 3.307 20 5 DGBDMO Cc1ccsc1C[N@@H+](C)CCOc1ccccc1[N+](=O)[O-] ZINC000051233685 400697486 /nfs/dbraw/zinc/69/74/86/400697486.db2.gz BAOZFTYSMIPWKC-UHFFFAOYSA-N 1 1 306.387 3.476 20 5 DGBDMO C[N@@H+](Cc1ccccc1)[C@H]1CCN(c2ccc([N+](=O)[O-])s2)C1 ZINC000078506856 400806004 /nfs/dbraw/zinc/80/60/04/400806004.db2.gz HAHZHNPUAOZXLP-AWEZNQCLSA-N 1 1 317.414 3.367 20 5 DGBDMO CC(=O)c1ccc(N(C)CC[C@@H]2CCCC[N@H+]2C)c([N+](=O)[O-])c1 ZINC000078455669 400802046 /nfs/dbraw/zinc/80/20/46/400802046.db2.gz LWWBUQAMCULTEG-HNNXBMFYSA-N 1 1 319.405 3.108 20 5 DGBDMO O=[N+]([O-])c1cccc(F)c1CN1CCC[N@H+](C2CCCC2)CC1 ZINC000172579246 400832852 /nfs/dbraw/zinc/83/28/52/400832852.db2.gz WAUZKPJJKOUNHF-UHFFFAOYSA-N 1 1 321.396 3.184 20 5 DGBDMO O=[N+]([O-])c1cc(C[N@@H+](CC2CC2)C2CCC2)c2c(c1)COCO2 ZINC000619434465 400848248 /nfs/dbraw/zinc/84/82/48/400848248.db2.gz DXRIIEPWWGTJEY-UHFFFAOYSA-N 1 1 318.373 3.226 20 5 DGBDMO CC(C)Oc1ccc([N+](=O)[O-])cc1C[N@H+]1CCCCC[C@H]1CO ZINC000594015219 400949276 /nfs/dbraw/zinc/94/92/76/400949276.db2.gz XXKTUVBWBBQUKE-INIZCTEOSA-N 1 1 322.405 3.119 20 5 DGBDMO C[C@@H](CCc1ccccc1[N+](=O)[O-])[NH2+]C[C@H]1CCCC[N@@H+](C)C1 ZINC000599071790 400950921 /nfs/dbraw/zinc/95/09/21/400950921.db2.gz SWIZXRNBOVTKAJ-JKSUJKDBSA-N 1 1 319.449 3.237 20 5 DGBDMO C[C@@H](NC[C@@H]1CC[N@@H+]1C1CCCC1)c1cccc([N+](=O)[O-])c1 ZINC000599073956 400951813 /nfs/dbraw/zinc/95/18/13/400951813.db2.gz ODQQIYYFMPAQIX-DYVFJYSZSA-N 1 1 303.406 3.262 20 5 DGBDMO C[C@H]([NH2+]Cc1cc([N+](=O)[O-])cc2c1OCOC2)c1ccsc1 ZINC000619747819 400898280 /nfs/dbraw/zinc/89/82/80/400898280.db2.gz BLYCRBHJKRJUGC-JTQLQIEISA-N 1 1 320.370 3.374 20 5 DGBDMO C[C@@H]([NH2+]Cc1cc([N+](=O)[O-])cc2c1OCOC2)c1ccsc1 ZINC000619747820 400898532 /nfs/dbraw/zinc/89/85/32/400898532.db2.gz BLYCRBHJKRJUGC-SNVBAGLBSA-N 1 1 320.370 3.374 20 5 DGBDMO CCC[N@H+]1CC[C@H](CNc2ccc3cnccc3c2[N+](=O)[O-])C1 ZINC000599025926 400930990 /nfs/dbraw/zinc/93/09/90/400930990.db2.gz FHFHQMNLUGKKHD-CYBMUJFWSA-N 1 1 314.389 3.287 20 5 DGBDMO Cc1cccc([N+](=O)[O-])c1NC(=O)C[N@H+](C)C1CCCCC1 ZINC000198623264 400934126 /nfs/dbraw/zinc/93/41/26/400934126.db2.gz DVRFDGBBDWNDHD-UHFFFAOYSA-N 1 1 305.378 3.106 20 5 DGBDMO Cc1cc(C)c([N+](=O)[O-])c(NC[C@H]2CC[N@H+]2C2CCCC2)n1 ZINC000599166384 400983464 /nfs/dbraw/zinc/98/34/64/400983464.db2.gz UTWBJRUXXFWRRS-CQSZACIVSA-N 1 1 304.394 3.035 20 5 DGBDMO C[N@H+]1CCCC[C@H](CNc2ccc([N+](=O)[O-])c3cccnc23)C1 ZINC000599140199 400973573 /nfs/dbraw/zinc/97/35/73/400973573.db2.gz SIWXGPILHOTYMG-CYBMUJFWSA-N 1 1 314.389 3.287 20 5 DGBDMO C[C@@H]1C[NH+](Cc2ccc([N+](=O)[O-])cc2F)C[C@@H](C)C1(F)F ZINC000599513369 401064982 /nfs/dbraw/zinc/06/49/82/401064982.db2.gz SSDWBFAFZWFGRS-NXEZZACHSA-N 1 1 302.296 3.457 20 5 DGBDMO O=[N+]([O-])c1ccc(OCCC[N@H+]2CC[C@H]3CC[C@@H](C2)S3)cc1 ZINC000599552648 401075487 /nfs/dbraw/zinc/07/54/87/401075487.db2.gz HNOYIOPBGZYDAE-CVEARBPZSA-N 1 1 322.430 3.334 20 5 DGBDMO COC[C@@H]([NH2+][C@H]1CCc2c1cccc2[N+](=O)[O-])c1ccc(C)o1 ZINC000594495528 401079846 /nfs/dbraw/zinc/07/98/46/401079846.db2.gz BCIYLOBAZYEUHX-LSDHHAIUSA-N 1 1 316.357 3.461 20 5 DGBDMO Cc1ccc([C@@H](C)[NH2+][C@@H]2CCCn3ccnc32)cc1[N+](=O)[O-] ZINC000594498855 401081369 /nfs/dbraw/zinc/08/13/69/401081369.db2.gz LXZYSVCLJDOUTA-TZMCWYRMSA-N 1 1 300.362 3.285 20 5 DGBDMO C[C@H]([NH2+]Cc1cc(CO)ccc1F)c1cccc([N+](=O)[O-])c1 ZINC000599349197 401029261 /nfs/dbraw/zinc/02/92/61/401029261.db2.gz GBDNXEVYEZPRIR-NSHDSACASA-N 1 1 304.321 3.077 20 5 DGBDMO C[C@@H]([NH2+]Cc1cc(CO)ccc1F)c1ccccc1[N+](=O)[O-] ZINC000599354245 401031037 /nfs/dbraw/zinc/03/10/37/401031037.db2.gz OLOCTOASIAYPOX-LLVKDONJSA-N 1 1 304.321 3.077 20 5 DGBDMO Cc1ccc([N+](=O)[O-])cc1NC(=O)C[N@H+]1CCCC2(CC2)CC1 ZINC000599673785 401107460 /nfs/dbraw/zinc/10/74/60/401107460.db2.gz YXIBHSSUZOGZTD-UHFFFAOYSA-N 1 1 317.389 3.108 20 5 DGBDMO C/C=C\C[C@H]1CCC[N@H+](CC(=O)Nc2ccccc2[N+](=O)[O-])C1 ZINC000599688362 401115818 /nfs/dbraw/zinc/11/58/18/401115818.db2.gz DFQUSHYGTWIRML-SFAKSCPVSA-N 1 1 317.389 3.212 20 5 DGBDMO C/C=C\C[C@H]1CCC[N@@H+](CC(=O)Nc2ccccc2[N+](=O)[O-])C1 ZINC000599688362 401115827 /nfs/dbraw/zinc/11/58/27/401115827.db2.gz DFQUSHYGTWIRML-SFAKSCPVSA-N 1 1 317.389 3.212 20 5 DGBDMO COc1cccc(N[C@H]2CCC[N@H+]3CCCC[C@@H]23)c1[N+](=O)[O-] ZINC000594603899 401128453 /nfs/dbraw/zinc/12/84/53/401128453.db2.gz WIQZQZRGXPAYLE-JSGCOSHPSA-N 1 1 305.378 3.032 20 5 DGBDMO C[C@H](O)C[N@@H+](Cc1ccc(-c2ccc([N+](=O)[O-])cc2)o1)C1CC1 ZINC000594615412 401137600 /nfs/dbraw/zinc/13/76/00/401137600.db2.gz OHRMZYXTTOOGAX-LBPRGKRZSA-N 1 1 316.357 3.200 20 5 DGBDMO O=[N+]([O-])c1ccc(CN[C@@H]2CCC[N@H+]3CCCC[C@H]23)c(Cl)c1 ZINC000594518581 401095443 /nfs/dbraw/zinc/09/54/43/401095443.db2.gz IEWLWTTXXBDXMP-HZPDHXFCSA-N 1 1 323.824 3.355 20 5 DGBDMO O=[N+]([O-])c1ccc(C[NH2+][C@@H]2CCCN3CCCC[C@H]23)c(Cl)c1 ZINC000594518581 401095448 /nfs/dbraw/zinc/09/54/48/401095448.db2.gz IEWLWTTXXBDXMP-HZPDHXFCSA-N 1 1 323.824 3.355 20 5 DGBDMO CCC[N@@H+](CCn1ccc([N+](=O)[O-])n1)[C@@H]1CCc2ccccc21 ZINC000358272464 286017396 /nfs/dbraw/zinc/01/73/96/286017396.db2.gz YQIXIEMZWADZLG-MRXNPFEDSA-N 1 1 314.389 3.191 20 5 DGBDMO CC(C)(C)[N@H+]1CC[C@H](NCc2ccc([N+](=O)[O-])cc2Cl)C1 ZINC000594957516 401206904 /nfs/dbraw/zinc/20/69/04/401206904.db2.gz SDLKEWURJJLMFZ-LBPRGKRZSA-N 1 1 311.813 3.211 20 5 DGBDMO C[C@H](C(=O)Nc1cccc([N+](=O)[O-])c1)[N@H+]1CCC[C@@H](C)CC1 ZINC000063309312 401188418 /nfs/dbraw/zinc/18/84/18/401188418.db2.gz OHFVQGVUQNWOCJ-CHWSQXEVSA-N 1 1 305.378 3.044 20 5 DGBDMO C[C@H](C(=O)Nc1ccc([N+](=O)[O-])cc1)[N@@H+](C)CC1CCCC1 ZINC000064021314 401226678 /nfs/dbraw/zinc/22/66/78/401226678.db2.gz VAAZYUITOMAOCL-GFCCVEGCSA-N 1 1 305.378 3.044 20 5 DGBDMO COc1cc([N+](=O)[O-])ccc1[C@H](C)[NH2+]C[C@H](CC(C)C)N(C)C ZINC000595005950 401227149 /nfs/dbraw/zinc/22/71/49/401227149.db2.gz CBTRJONRLKXPOU-ZFWWWQNUSA-N 1 1 323.437 3.230 20 5 DGBDMO CCC(=O)c1ccc(NCCC[N@@H+](C)C(C)C)c([N+](=O)[O-])c1 ZINC000359443648 286309824 /nfs/dbraw/zinc/30/98/24/286309824.db2.gz ROTVLURNHMHAMH-UHFFFAOYSA-N 1 1 307.394 3.330 20 5 DGBDMO CCC(=O)c1ccc(NCC[N@H+](CC)C2CC2)c([N+](=O)[O-])c1 ZINC000359479329 286316978 /nfs/dbraw/zinc/31/69/78/286316978.db2.gz DFWKAVUYHYXZNQ-UHFFFAOYSA-N 1 1 305.378 3.084 20 5 DGBDMO Cc1ccc([N+](=O)[O-])cc1[C@@H](C)[N@H+]1CCOCC2(CCC2)C1 ZINC000408213638 292295464 /nfs/dbraw/zinc/29/54/64/292295464.db2.gz CQCRODWGHPUESX-CQSZACIVSA-N 1 1 304.390 3.467 20 5 DGBDMO COc1ncccc1C[N@H+](Cc1ccc([N+](=O)[O-])cc1)C(C)C ZINC000193316954 165322688 /nfs/dbraw/zinc/32/26/88/165322688.db2.gz XVIJMLJZQDKNCU-UHFFFAOYSA-N 1 1 315.373 3.409 20 5 DGBDMO COc1ncccc1C[N@@H+](Cc1ccc([N+](=O)[O-])cc1)C(C)C ZINC000193316954 165322689 /nfs/dbraw/zinc/32/26/89/165322689.db2.gz XVIJMLJZQDKNCU-UHFFFAOYSA-N 1 1 315.373 3.409 20 5 DGBDMO C[N@@H+]1Cc2ccc(NC(=O)Nc3cccc([N+](=O)[O-])c3)cc2C1 ZINC000193596456 165328835 /nfs/dbraw/zinc/32/88/35/165328835.db2.gz XSFABAJHHPXQQY-UHFFFAOYSA-N 1 1 312.329 3.184 20 5 DGBDMO C[N@H+]1Cc2ccc(NC(=O)Nc3cccc([N+](=O)[O-])c3)cc2C1 ZINC000193596456 165328839 /nfs/dbraw/zinc/32/88/39/165328839.db2.gz XSFABAJHHPXQQY-UHFFFAOYSA-N 1 1 312.329 3.184 20 5 DGBDMO CCC[N@@H+](Cc1nc(-c2ccc([N+](=O)[O-])cc2)no1)C1CC1 ZINC000171679741 432159355 /nfs/dbraw/zinc/15/93/55/432159355.db2.gz NLZLKVCUTFZPAY-UHFFFAOYSA-N 1 1 302.334 3.019 20 5 DGBDMO C[C@H](c1ccc(F)cc1)[N@@H+](C)C[C@H](O)c1cccc([N+](=O)[O-])c1 ZINC000136895804 432165080 /nfs/dbraw/zinc/16/50/80/432165080.db2.gz NNHCPXDJUCVTKM-PXAZEXFGSA-N 1 1 318.348 3.460 20 5 DGBDMO C[N@H+]1CC[C@@H](CNC(=O)c2cc3ccccc3c3cccnc23)C1 ZINC000171954650 432185674 /nfs/dbraw/zinc/18/56/74/432185674.db2.gz LVTAAUSMSWVAGX-AWEZNQCLSA-N 1 1 319.408 3.070 20 5 DGBDMO CC[C@@H](C)C[N@@H+](C)CCC(=O)Nc1cccc([N+](=O)[O-])c1C ZINC000171949195 432186198 /nfs/dbraw/zinc/18/61/98/432186198.db2.gz DLXWFJWLHUQHJQ-GFCCVEGCSA-N 1 1 307.394 3.210 20 5 DGBDMO C[C@@H](c1nnc(-c2ccc([N+](=O)[O-])cc2)o1)[N@H+]1CC[C@H](C)C1 ZINC000299666195 229315704 /nfs/dbraw/zinc/31/57/04/229315704.db2.gz RFWHXCPHCCOGRC-QWRGUYRKSA-N 1 1 302.334 3.048 20 5 DGBDMO C[C@H]1C[C@H](Nc2nccc3ccc([N+](=O)[O-])cc32)C[N@H+]1C1CC1 ZINC000413187545 230149992 /nfs/dbraw/zinc/14/99/92/230149992.db2.gz RNKICHPOAWDGQB-AAEUAGOBSA-N 1 1 312.373 3.180 20 5 DGBDMO O=[N+]([O-])c1ccn(CC[N@H+]2CCCC3(CCCCC3)CC2)n1 ZINC000346685470 264079272 /nfs/dbraw/zinc/07/92/72/264079272.db2.gz SJANGUASOODIQF-UHFFFAOYSA-N 1 1 306.410 3.228 20 5 DGBDMO C[C@@H]1C[C@@H](C[NH3+])CN1Cc1ccc(-c2cccc([N+](=O)[O-])c2)o1 ZINC000346693035 264080246 /nfs/dbraw/zinc/08/02/46/264080246.db2.gz KMGIFNUEYPWQTO-OLZOCXBDSA-N 1 1 315.373 3.024 20 5 DGBDMO C[C@@H](C(=O)Nc1ccccc1[N+](=O)[O-])[N@@H+]1CCCC2(CCC2)C1 ZINC000348166709 264355691 /nfs/dbraw/zinc/35/56/91/264355691.db2.gz IGAYWVPASJVTHO-ZDUSSCGKSA-N 1 1 317.389 3.188 20 5 DGBDMO C[C@@H](C(=O)Nc1ccccc1[N+](=O)[O-])[N@H+]1CCCC2(CCC2)C1 ZINC000348166709 264355692 /nfs/dbraw/zinc/35/56/92/264355692.db2.gz IGAYWVPASJVTHO-ZDUSSCGKSA-N 1 1 317.389 3.188 20 5 DGBDMO C[C@@H]1C[N@H+](C2CC2)C[C@@H]1Nc1nc2ccccc2cc1[N+](=O)[O-] ZINC000352366249 265018026 /nfs/dbraw/zinc/01/80/26/265018026.db2.gz CNXVUCSOBBZTIV-ABAIWWIYSA-N 1 1 312.373 3.038 20 5 DGBDMO CC[C@@H]([NH2+]Cc1cc([N+](=O)[O-])ccc1OC)c1ccc(F)cn1 ZINC000352683867 265127426 /nfs/dbraw/zinc/12/74/26/265127426.db2.gz LTMIWSQXKDOISW-CQSZACIVSA-N 1 1 319.336 3.378 20 5 DGBDMO C[C@@H](c1ccccc1[N+](=O)[O-])[N@H+]1CC[C@@H](COC(F)F)C1 ZINC000353031571 265272741 /nfs/dbraw/zinc/27/27/41/265272741.db2.gz VTGVRHHFBHXRBB-WDEREUQCSA-N 1 1 300.305 3.217 20 5 DGBDMO C[C@@H]([NH2+]Cc1c([N+](=O)[O-])ncn1C)c1cc2cccc(F)c2o1 ZINC000355720659 266164808 /nfs/dbraw/zinc/16/48/08/266164808.db2.gz ANGAQMGXQPKOFP-SECBINFHSA-N 1 1 318.308 3.064 20 5 DGBDMO C[C@@H]1CCC[N@@H+](Cc2cc([N+](=O)[O-])cc3c2OCOC3)[C@@H]1C ZINC000172863308 432240873 /nfs/dbraw/zinc/24/08/73/432240873.db2.gz IIURCGCEVILPDR-VXGBXAGGSA-N 1 1 306.362 3.082 20 5 DGBDMO Cc1ccc([N+](=O)[O-])cc1[C@@H](C)[N@@H+](C)CCCn1ccnc1 ZINC000182970475 432246448 /nfs/dbraw/zinc/24/64/48/432246448.db2.gz AFKYWZZEMMEIAI-CQSZACIVSA-N 1 1 302.378 3.183 20 5 DGBDMO C[N@H+]1CCCC12CCN(c1c(Cl)cccc1[N+](=O)[O-])CC2 ZINC000367935936 271100240 /nfs/dbraw/zinc/10/02/40/271100240.db2.gz QYKMDHSKKYPYRC-UHFFFAOYSA-N 1 1 309.797 3.313 20 5 DGBDMO O=[N+]([O-])c1ccc(C[N@@H+]2CCC[C@H](OCC3CC3)C2)cc1F ZINC000368481051 271163396 /nfs/dbraw/zinc/16/33/96/271163396.db2.gz DOKALMABUKJKLS-AWEZNQCLSA-N 1 1 308.353 3.125 20 5 DGBDMO O=[N+]([O-])c1ccc(C[N@H+]2CCC[C@H](OCC3CC3)C2)cc1F ZINC000368481051 271163400 /nfs/dbraw/zinc/16/34/00/271163400.db2.gz DOKALMABUKJKLS-AWEZNQCLSA-N 1 1 308.353 3.125 20 5 DGBDMO Cc1cc(N2CCC[C@H](c3[nH+]ccn3C)C2)ccc1[N+](=O)[O-] ZINC000369357001 271266867 /nfs/dbraw/zinc/26/68/67/271266867.db2.gz DYJPJUVQHQDMOA-ZDUSSCGKSA-N 1 1 300.362 3.021 20 5 DGBDMO C[C@@H](c1ccccc1[N+](=O)[O-])[NH+]1CCC(O)(C(F)(F)F)CC1 ZINC000270502325 432253286 /nfs/dbraw/zinc/25/32/86/432253286.db2.gz BWXZCXPKDBXZAX-JTQLQIEISA-N 1 1 318.295 3.045 20 5 DGBDMO C[C@@H](CNc1c2c(ccc1[N+](=O)[O-])NCC2)[N@H+]1CCC[C@H](C)C1 ZINC000302855902 274226457 /nfs/dbraw/zinc/22/64/57/274226457.db2.gz RXCNUQLWUBJTHU-STQMWFEESA-N 1 1 318.421 3.095 20 5 DGBDMO C[C@@H]1CCCC[C@@H]1[N@@H+](C)Cc1nc2cc([N+](=O)[O-])ccc2[nH]1 ZINC000332159282 274286997 /nfs/dbraw/zinc/28/69/97/274286997.db2.gz KIKBSDVKIKMPEV-ABAIWWIYSA-N 1 1 302.378 3.482 20 5 DGBDMO Cc1cc([N+](=O)[O-])cc(Cl)c1N1CC[C@H]([NH+]2CC=CC2)C1 ZINC000302810458 274723039 /nfs/dbraw/zinc/72/30/39/274723039.db2.gz GVNHDRMWEYAXSG-LBPRGKRZSA-N 1 1 307.781 3.007 20 5 DGBDMO O=[N+]([O-])c1cccc(Cl)c1C[N@H+]1CC[C@@H](C2CCOCC2)C1 ZINC000492290933 275039333 /nfs/dbraw/zinc/03/93/33/275039333.db2.gz HICTYTWPJGKLQQ-CYBMUJFWSA-N 1 1 324.808 3.497 20 5 DGBDMO O=[N+]([O-])c1cccc(Cl)c1C[N@H+]1CC[C@@H]([C@H]2CCOC2)C1 ZINC000492299378 275039340 /nfs/dbraw/zinc/03/93/40/275039340.db2.gz ZUZPGOHTXPLAGP-NEPJUHHUSA-N 1 1 310.781 3.107 20 5 DGBDMO O=[N+]([O-])c1cccc(Cl)c1C[N@H+]1CCC[C@H]2COCC[C@H]21 ZINC000493332964 275039426 /nfs/dbraw/zinc/03/94/26/275039426.db2.gz DONHXGNXGNEXCE-SMDDNHRTSA-N 1 1 310.781 3.249 20 5 DGBDMO O=[N+]([O-])c1ccccc1C[N@H+]1CC[C@]2(C1)OCc1ccccc12 ZINC000186435772 275039897 /nfs/dbraw/zinc/03/98/97/275039897.db2.gz QRBYITFSBAHRSB-GOSISDBHSA-N 1 1 310.353 3.226 20 5 DGBDMO C[C@@H](NCC[N@@H+]1CCCC(C)(C)C1)c1ccc([N+](=O)[O-])cc1 ZINC000447560794 278347137 /nfs/dbraw/zinc/34/71/37/278347137.db2.gz ASBQAJOIBFRFLZ-CQSZACIVSA-N 1 1 305.422 3.367 20 5 DGBDMO C[C@@H](NCC[N@H+]1CCCC(C)(C)C1)c1ccc([N+](=O)[O-])cc1 ZINC000447560794 278347138 /nfs/dbraw/zinc/34/71/38/278347138.db2.gz ASBQAJOIBFRFLZ-CQSZACIVSA-N 1 1 305.422 3.367 20 5 DGBDMO C[C@@H](N[C@H]1CC[N@H+](C2CCCC2)C1)c1ccc([N+](=O)[O-])cc1 ZINC000153783474 278384718 /nfs/dbraw/zinc/38/47/18/278384718.db2.gz ZBMBGYLRLWBHRN-HIFRSBDPSA-N 1 1 303.406 3.262 20 5 DGBDMO C[C@@H]([NH2+][C@H]1CCN(C2CCCC2)C1)c1ccc([N+](=O)[O-])cc1 ZINC000153783474 278384720 /nfs/dbraw/zinc/38/47/20/278384720.db2.gz ZBMBGYLRLWBHRN-HIFRSBDPSA-N 1 1 303.406 3.262 20 5 DGBDMO C[C@H]1CCC[N@@H+](Cc2nc(-c3ccc([N+](=O)[O-])cc3)no2)CC1 ZINC000068828804 431144921 /nfs/dbraw/zinc/14/49/21/431144921.db2.gz NVSNJGKXUFGWNT-LBPRGKRZSA-N 1 1 316.361 3.267 20 5 DGBDMO CC[C@@H](C)C[N@@H+](C)Cc1nnc(-c2ccc([N+](=O)[O-])cc2)o1 ZINC000111255296 431204496 /nfs/dbraw/zinc/20/44/96/431204496.db2.gz OALMKWRFMLBHCI-LLVKDONJSA-N 1 1 304.350 3.123 20 5 DGBDMO C[C@@H](c1nnc(-c2ccc([N+](=O)[O-])cc2)o1)[N@@H+](C)CC1CCC1 ZINC000111297997 431207258 /nfs/dbraw/zinc/20/72/58/431207258.db2.gz NBMVEKLSFXBFOH-NSHDSACASA-N 1 1 316.361 3.438 20 5 DGBDMO C[C@H]([NH2+][C@@H]1CCCc2ccc([N+](=O)[O-])cc21)c1ccn(C)n1 ZINC000414192799 279510374 /nfs/dbraw/zinc/51/03/74/279510374.db2.gz SZMMNTWHEXXVQA-MEDUHNTESA-N 1 1 300.362 3.057 20 5 DGBDMO C[C@H](O)c1ncc(C[NH2+]C(C)(C)c2ccccc2[N+](=O)[O-])s1 ZINC000292696259 279586476 /nfs/dbraw/zinc/58/64/76/279586476.db2.gz BWTJFUPKMQQKAR-JTQLQIEISA-N 1 1 321.402 3.130 20 5 DGBDMO C[C@@H](CNc1ccc([N+](=O)[O-])cc1[N+](=O)[O-])[N@H+]1CCC[C@H](C)C1 ZINC000071954206 431322061 /nfs/dbraw/zinc/32/20/61/431322061.db2.gz HJMLYVYMTYGLNI-RYUDHWBXSA-N 1 1 322.365 3.035 20 5 DGBDMO CC[C@]1(C)CCC[N@@H+](Cc2cc([N+](=O)[O-])cc3c2OCOC3)C1 ZINC000075999234 431515201 /nfs/dbraw/zinc/51/52/01/431515201.db2.gz HTOONKAUOAFYNF-QGZVFWFLSA-N 1 1 320.389 3.473 20 5 DGBDMO CCCC[N@@H+](CC)CCCn1c(=O)oc2ccc([N+](=O)[O-])cc21 ZINC000117335002 431556242 /nfs/dbraw/zinc/55/62/42/431556242.db2.gz IZKWOVJMJOXMFM-UHFFFAOYSA-N 1 1 321.377 3.015 20 5 DGBDMO O=[N+]([O-])c1cccc(OCC[N@H+]2CCC[C@@H]2c2ccc[nH]2)c1 ZINC000077171100 431570972 /nfs/dbraw/zinc/57/09/72/431570972.db2.gz IRFHLZKSCMKEJS-MRXNPFEDSA-N 1 1 301.346 3.139 20 5 DGBDMO CC1(C)C[N@H+](Cc2ccc(-c3cccc([N+](=O)[O-])c3)o2)CCO1 ZINC000119277938 431669942 /nfs/dbraw/zinc/66/99/42/431669942.db2.gz KDIYAJZVCBMJQL-UHFFFAOYSA-N 1 1 316.357 3.466 20 5 DGBDMO CC1(C)C[N@@H+](Cc2ccc(-c3cccc([N+](=O)[O-])c3)o2)CCO1 ZINC000119277938 431669946 /nfs/dbraw/zinc/66/99/46/431669946.db2.gz KDIYAJZVCBMJQL-UHFFFAOYSA-N 1 1 316.357 3.466 20 5 DGBDMO C[C@H]1CCC[C@H]([N@@H+](C)Cc2cc([N+](=O)[O-])cc3c2OCOC3)C1 ZINC000026469770 431676072 /nfs/dbraw/zinc/67/60/72/431676072.db2.gz OTOKBEQAUUECMH-WFASDCNBSA-N 1 1 320.389 3.472 20 5 DGBDMO C[C@@H]1C[N@H+](Cc2ccc(-c3ccc([N+](=O)[O-])cc3)o2)[C@H](C)CO1 ZINC000122575260 431838195 /nfs/dbraw/zinc/83/81/95/431838195.db2.gz KVINKXZGGSGAKK-CHWSQXEVSA-N 1 1 316.357 3.464 20 5 DGBDMO C[C@@H]1C[N@@H+](Cc2ccc(-c3ccc([N+](=O)[O-])cc3)o2)[C@H](C)CO1 ZINC000122575260 431838199 /nfs/dbraw/zinc/83/81/99/431838199.db2.gz KVINKXZGGSGAKK-CHWSQXEVSA-N 1 1 316.357 3.464 20 5 DGBDMO Cc1ccc([C@H]2C[C@@H](C)CC[N@H+]2CCn2cc([N+](=O)[O-])cn2)o1 ZINC000174882001 281004015 /nfs/dbraw/zinc/00/40/15/281004015.db2.gz DDHWJIXXUJFYLQ-SWLSCSKDSA-N 1 1 318.377 3.166 20 5 DGBDMO CC[C@H]1C[N@H+]2CCC[C@@H]2CN1Cc1c(Cl)cccc1[N+](=O)[O-] ZINC000492002018 288311346 /nfs/dbraw/zinc/31/13/46/288311346.db2.gz RIFZHMALXOGCFC-QWHCGFSZSA-N 1 1 323.824 3.307 20 5 DGBDMO CCC1(CO)CC[NH+](Cc2ccc(Cl)cc2[N+](=O)[O-])CC1 ZINC000128369831 431993223 /nfs/dbraw/zinc/99/32/23/431993223.db2.gz PXOAUUBVROETRQ-UHFFFAOYSA-N 1 1 312.797 3.233 20 5 DGBDMO CCCn1ccnc1CCC[N@@H+](C)Cc1cccc([N+](=O)[O-])c1 ZINC000191501405 432271320 /nfs/dbraw/zinc/27/13/20/432271320.db2.gz VIBLAJSAQFQHIK-UHFFFAOYSA-N 1 1 316.405 3.266 20 5 DGBDMO CCOC(=O)CCCC[N@@H+](Cc1ccc([N+](=O)[O-])cc1)C1CC1 ZINC000270719455 432280205 /nfs/dbraw/zinc/28/02/05/432280205.db2.gz DDERFZAMQOPJAN-UHFFFAOYSA-N 1 1 320.389 3.293 20 5 DGBDMO C[N@H+]1CCC[C@@H]2CN(Cc3ccc([N+](=O)[O-])cc3Cl)CC[C@H]21 ZINC000248439128 432292059 /nfs/dbraw/zinc/29/20/59/432292059.db2.gz UBIQHOLNJAJIGU-CZUORRHYSA-N 1 1 323.824 3.164 20 5 DGBDMO CCC[N@@H+](C)C[C@H]1CCN(c2cccc(OCC)c2[N+](=O)[O-])C1 ZINC000183153254 432263020 /nfs/dbraw/zinc/26/30/20/432263020.db2.gz DBYVJMYYUFRMKN-CQSZACIVSA-N 1 1 321.421 3.162 20 5 DGBDMO CC[N@@H+](CCO)Cc1ccc(-c2ccc([N+](=O)[O-])cc2Cl)o1 ZINC000271017681 432316681 /nfs/dbraw/zinc/31/66/81/432316681.db2.gz RVSJXKXXJMUGRW-UHFFFAOYSA-N 1 1 324.764 3.322 20 5 DGBDMO CC(C)[N@@H+]1C[C@@H](C)[C@H](N[C@H]2CCCc3ccc([N+](=O)[O-])cc32)C1 ZINC000248829340 432323017 /nfs/dbraw/zinc/32/30/17/432323017.db2.gz GZXPFINDAJCZQM-JEBQAFNWSA-N 1 1 317.433 3.291 20 5 DGBDMO CC(C)[N@H+]1C[C@@H](C)[C@H](N[C@H]2CCCc3ccc([N+](=O)[O-])cc32)C1 ZINC000248829340 432323020 /nfs/dbraw/zinc/32/30/20/432323020.db2.gz GZXPFINDAJCZQM-JEBQAFNWSA-N 1 1 317.433 3.291 20 5 DGBDMO C[C@H]1CCCC[N@H+]1C[C@H]1CCCN(c2ncc([N+](=O)[O-])s2)C1 ZINC000249272882 432342274 /nfs/dbraw/zinc/34/22/74/432342274.db2.gz JWOGBERNRVEMKN-QWHCGFSZSA-N 1 1 324.450 3.142 20 5 DGBDMO COc1cc(C[N@@H+](C)[C@@H](C)CCSC)c([N+](=O)[O-])cc1F ZINC000184261195 432373017 /nfs/dbraw/zinc/37/30/17/432373017.db2.gz CLJKYZJHPFBCNI-JTQLQIEISA-N 1 1 316.398 3.316 20 5 DGBDMO CC[C@H](C)[N@@H+](CCn1cc([N+](=O)[O-])cn1)Cc1ccccc1 ZINC000174810525 432373387 /nfs/dbraw/zinc/37/33/87/432373387.db2.gz WNHSCEBZTIWRTH-AWEZNQCLSA-N 1 1 302.378 3.092 20 5 DGBDMO COc1ccc([N+](=O)[O-])cc1C[NH2+][C@@H](C)c1cncc(C)c1 ZINC000184344062 432381085 /nfs/dbraw/zinc/38/10/85/432381085.db2.gz VOUDLUKVUYSMFB-LBPRGKRZSA-N 1 1 301.346 3.158 20 5 DGBDMO CCn1nc(C)c([N+](=O)[O-])c1NCCCC[N@H+]1CCCC[C@H]1C ZINC000192499943 432381299 /nfs/dbraw/zinc/38/12/99/432381299.db2.gz BKIJMHBRFBZZKK-CYBMUJFWSA-N 1 1 323.441 3.186 20 5 DGBDMO Cc1ccc([C@@H](C)[NH2+]Cc2cn3ccccc3n2)cc1[N+](=O)[O-] ZINC000175054285 432392657 /nfs/dbraw/zinc/39/26/57/432392657.db2.gz LCYWNVKAVJJKQZ-CYBMUJFWSA-N 1 1 310.357 3.402 20 5 DGBDMO Cc1ccc([N+](=O)[O-])cc1NC(=O)C[N@H+](C)[C@@H]1CCCC[C@@H]1C ZINC000192623566 432394264 /nfs/dbraw/zinc/39/42/64/432394264.db2.gz GGUVLHFIKGZQGA-XJKSGUPXSA-N 1 1 319.405 3.352 20 5 DGBDMO C[N@H+](Cc1ccc(-n2cccn2)cc1)Cc1ccccc1[N+](=O)[O-] ZINC000192638891 432394759 /nfs/dbraw/zinc/39/47/59/432394759.db2.gz NZVUVXAICZWVEY-UHFFFAOYSA-N 1 1 322.368 3.413 20 5 DGBDMO C[N@@H+](Cc1ccc(-n2cccn2)cc1)Cc1ccccc1[N+](=O)[O-] ZINC000192638891 432394762 /nfs/dbraw/zinc/39/47/62/432394762.db2.gz NZVUVXAICZWVEY-UHFFFAOYSA-N 1 1 322.368 3.413 20 5 DGBDMO CC[C@@H]1C[N@@H+](Cc2ccc(-c3ccccc3[N+](=O)[O-])o2)C[C@@H]1O ZINC000271275988 432366495 /nfs/dbraw/zinc/36/64/95/432366495.db2.gz KUWVLCCKIDJMMN-WBMJQRKESA-N 1 1 316.357 3.058 20 5 DGBDMO COc1cc(C[N@@H+]2CCC[C@H]2CSC)c([N+](=O)[O-])cc1F ZINC000184238668 432370605 /nfs/dbraw/zinc/37/06/05/432370605.db2.gz ZCNWBCOQGIUGFX-NSHDSACASA-N 1 1 314.382 3.070 20 5 DGBDMO COc1cc(C[N@H+]2CCC[C@H]2CSC)c([N+](=O)[O-])cc1F ZINC000184238668 432370613 /nfs/dbraw/zinc/37/06/13/432370613.db2.gz ZCNWBCOQGIUGFX-NSHDSACASA-N 1 1 314.382 3.070 20 5 DGBDMO C[C@H](N[C@H]1CC[N@H+](C2CCCC2)C1)c1ccc([N+](=O)[O-])cc1 ZINC000153783393 432443623 /nfs/dbraw/zinc/44/36/23/432443623.db2.gz ZBMBGYLRLWBHRN-ZFWWWQNUSA-N 1 1 303.406 3.262 20 5 DGBDMO C[C@H]([NH2+][C@H]1CCN(C2CCCC2)C1)c1ccc([N+](=O)[O-])cc1 ZINC000153783393 432443626 /nfs/dbraw/zinc/44/36/26/432443626.db2.gz ZBMBGYLRLWBHRN-ZFWWWQNUSA-N 1 1 303.406 3.262 20 5 DGBDMO C[C@H]1C[N@@H+](C[C@H](O)c2cccc([N+](=O)[O-])c2)[C@@H]1c1ccccc1 ZINC000154407322 432495870 /nfs/dbraw/zinc/49/58/70/432495870.db2.gz QZQVFPQAYQJCAT-KKXDTOCCSA-N 1 1 312.369 3.321 20 5 DGBDMO O=[N+]([O-])c1ccn(CC[N@H+]2CCCCC[C@H]2c2ccco2)n1 ZINC000176249701 432503671 /nfs/dbraw/zinc/50/36/71/432503671.db2.gz NZKYXHDKYGIGLQ-ZDUSSCGKSA-N 1 1 304.350 3.002 20 5 DGBDMO O=[N+]([O-])c1ccc(OCC[N@H+]2CCC[C@@H]2c2ccncc2)cc1 ZINC000153997711 432462591 /nfs/dbraw/zinc/46/25/91/432462591.db2.gz UEDRZQSMEMQCTA-QGZVFWFLSA-N 1 1 313.357 3.206 20 5 DGBDMO CC[C@@H]1[C@H](C)CC[N@H+]1Cc1nc(-c2ccc([N+](=O)[O-])cc2)no1 ZINC000185654888 432521091 /nfs/dbraw/zinc/52/10/91/432521091.db2.gz JPDYNKQDPHMWIL-BXUZGUMPSA-N 1 1 316.361 3.265 20 5 DGBDMO CCOc1cccc(N2CCC[C@@H](c3[nH]cc[nH+]3)C2)c1[N+](=O)[O-] ZINC000273849487 432632099 /nfs/dbraw/zinc/63/20/99/432632099.db2.gz JOMSRRTVJRDTLR-GFCCVEGCSA-N 1 1 316.361 3.101 20 5 DGBDMO O=[N+]([O-])c1ccc(OCC[N@H+]2CC[C@H](c3ccccc3)C2)cc1 ZINC000195737223 432634160 /nfs/dbraw/zinc/63/41/60/432634160.db2.gz KOKINJXKWSQXFI-INIZCTEOSA-N 1 1 312.369 3.463 20 5 DGBDMO COc1cnccc1[C@H](C)[NH2+][C@@H](C)c1cccc([N+](=O)[O-])c1 ZINC000187067712 432644470 /nfs/dbraw/zinc/64/44/70/432644470.db2.gz TXGJUZMZIYAULR-RYUDHWBXSA-N 1 1 301.346 3.410 20 5 DGBDMO Cn1c2ccccc2nc1CC[N@@H+](C)Cc1ccccc1[N+](=O)[O-] ZINC000265462176 432701620 /nfs/dbraw/zinc/70/16/20/432701620.db2.gz ACENSUPJSQZRNQ-UHFFFAOYSA-N 1 1 324.384 3.156 20 5 DGBDMO Cc1cnn([C@@H]2CCC[N@H+]([C@H](C)c3ccccc3[N+](=O)[O-])C2)c1 ZINC000266531624 432762316 /nfs/dbraw/zinc/76/23/16/432762316.db2.gz MICGGSVSNDVOKT-HUUCEWRRSA-N 1 1 314.389 3.498 20 5 DGBDMO C[N@H+]1CCC[C@@H]1CNc1ccc([N+](=O)[O-])c(C(F)(F)F)c1 ZINC000160841904 432746258 /nfs/dbraw/zinc/74/62/58/432746258.db2.gz UKYLNBIYHLIIRM-SNVBAGLBSA-N 1 1 303.284 3.120 20 5 DGBDMO Cc1[nH+]ccn1-c1ncccc1NCc1cccc([N+](=O)[O-])c1 ZINC000237640544 432795730 /nfs/dbraw/zinc/79/57/30/432795730.db2.gz FXIHAXVYRDNWHD-UHFFFAOYSA-N 1 1 309.329 3.096 20 5 DGBDMO COc1nc(C)cc(C)c1C[NH2+][C@H](C)c1cccc([N+](=O)[O-])c1 ZINC000266895022 432796020 /nfs/dbraw/zinc/79/60/20/432796020.db2.gz SFDIGIUVAAGXIE-CYBMUJFWSA-N 1 1 315.373 3.466 20 5 DGBDMO C[C@H]1CC[N@@H+](Cc2nc(-c3cccc([N+](=O)[O-])c3)no2)C[C@H]1C ZINC000245911088 432869127 /nfs/dbraw/zinc/86/91/27/432869127.db2.gz MMXDOJPTDYIMFV-NWDGAFQWSA-N 1 1 316.361 3.123 20 5 DGBDMO Cc1ccc([N+](=O)[O-])cc1[C@H](C)N(C)C[C@H]1CCC[N@@H+](C)C1 ZINC000245531611 432840690 /nfs/dbraw/zinc/84/06/90/432840690.db2.gz TZKFFRQCUOWQMY-GJZGRUSLSA-N 1 1 305.422 3.238 20 5 DGBDMO Cc1ccc([N+](=O)[O-])cc1[C@H](C)[N@H+](C)C[C@H]1CCCN(C)C1 ZINC000245531611 432840703 /nfs/dbraw/zinc/84/07/03/432840703.db2.gz TZKFFRQCUOWQMY-GJZGRUSLSA-N 1 1 305.422 3.238 20 5 DGBDMO Cc1ccc([N+](=O)[O-])cc1[C@H](C)[N@@H+](C)C[C@H]1CCCN(C)C1 ZINC000245531611 432840707 /nfs/dbraw/zinc/84/07/07/432840707.db2.gz TZKFFRQCUOWQMY-GJZGRUSLSA-N 1 1 305.422 3.238 20 5 DGBDMO C[C@H](O)[C@@H]1C[C@H](C)CC[N@H+]1Cc1ccc([N+](=O)[O-])cc1Cl ZINC000331292511 432938445 /nfs/dbraw/zinc/93/84/45/432938445.db2.gz QJKDCMMQJAXRPX-ZETOZRRWSA-N 1 1 312.797 3.230 20 5 DGBDMO Cc1cc(C)c([N+](=O)[O-])cc1NC(=O)N[C@H](C)C[N@H+](C)C(C)C ZINC000289668667 432970464 /nfs/dbraw/zinc/97/04/64/432970464.db2.gz JAJLARDJNGTEMD-CYBMUJFWSA-N 1 1 322.409 3.062 20 5 DGBDMO Cc1cccc([N+](=O)[O-])c1NC(=O)C[N@@H+]1CC[C@H](C)C[C@@H](C)C1 ZINC000332335384 432999331 /nfs/dbraw/zinc/99/93/31/432999331.db2.gz MSOHXBQVMJFKKV-QWHCGFSZSA-N 1 1 319.405 3.210 20 5 DGBDMO C[C@@H](c1cccc([N+](=O)[O-])c1)[N@H+]1CCC[C@@H](c2ccnn2C)C1 ZINC000332377459 433004137 /nfs/dbraw/zinc/00/41/37/433004137.db2.gz YAQFJSCKOOTCSN-DZGCQCFKSA-N 1 1 314.389 3.269 20 5 DGBDMO CCOc1cc(C[N@H+](C)Cc2ccccc2[N+](=O)[O-])ccc1O ZINC000297793090 433018624 /nfs/dbraw/zinc/01/86/24/433018624.db2.gz NIJIZPQCOBTZMT-UHFFFAOYSA-N 1 1 316.357 3.331 20 5 DGBDMO CCOc1cc(C[N@@H+](C)Cc2ccccc2[N+](=O)[O-])ccc1O ZINC000297793090 433018628 /nfs/dbraw/zinc/01/86/28/433018628.db2.gz NIJIZPQCOBTZMT-UHFFFAOYSA-N 1 1 316.357 3.331 20 5 DGBDMO CCOc1ccc([N+](=O)[O-])cc1C[N@H+]1CCC[C@@](C)(OC)CC1 ZINC000280368758 433042077 /nfs/dbraw/zinc/04/20/77/433042077.db2.gz VBGUHWBLLUBYGG-QGZVFWFLSA-N 1 1 322.405 3.385 20 5 DGBDMO CC(C)[N@@H+](CCO)Cc1ccc(-c2ccccc2[N+](=O)[O-])o1 ZINC000350100674 433078150 /nfs/dbraw/zinc/07/81/50/433078150.db2.gz UGMRKPWBDIXHIU-UHFFFAOYSA-N 1 1 304.346 3.058 20 5 DGBDMO CN(C)c1ccccc1C[NH2+]Cc1ccc([N+](=O)[O-])cc1F ZINC000350259080 433122602 /nfs/dbraw/zinc/12/26/02/433122602.db2.gz YBTNNTJMMOTTGE-UHFFFAOYSA-N 1 1 303.337 3.090 20 5 DGBDMO Cc1c([C@H](C)[NH2+][C@H]2C[C@H](C)n3ccnc32)cccc1[N+](=O)[O-] ZINC000453370672 433130555 /nfs/dbraw/zinc/13/05/55/433130555.db2.gz VRNNBKBBRANBTD-JKOKRWQUSA-N 1 1 300.362 3.456 20 5 DGBDMO C[C@@H]1CC[C@H](C)[N@@H+]1[C@H]1CCCN(c2ccccc2[N+](=O)[O-])C1 ZINC000350239771 433115850 /nfs/dbraw/zinc/11/58/50/433115850.db2.gz KBRBVUMWASJCTI-ZNMIVQPWSA-N 1 1 303.406 3.436 20 5 DGBDMO CCC(=O)c1ccc(N[C@@H]2CC[N@H+]3CCCC[C@H]23)c([N+](=O)[O-])c1 ZINC000280798033 433177409 /nfs/dbraw/zinc/17/74/09/433177409.db2.gz VMHIZLPQNQRGLC-HUUCEWRRSA-N 1 1 317.389 3.226 20 5 DGBDMO CC1=CCC[N@@H+]([C@H](C)c2nnc(-c3ccc([N+](=O)[O-])cc3)o2)C1 ZINC000280820948 433188338 /nfs/dbraw/zinc/18/83/38/433188338.db2.gz NLUZOXOJRGSNHU-GFCCVEGCSA-N 1 1 314.345 3.358 20 5 DGBDMO CC1=CCC[N@H+]([C@H](C)c2nnc(-c3ccc([N+](=O)[O-])cc3)o2)C1 ZINC000280820948 433188347 /nfs/dbraw/zinc/18/83/47/433188347.db2.gz NLUZOXOJRGSNHU-GFCCVEGCSA-N 1 1 314.345 3.358 20 5 DGBDMO Cc1ccc([C@H](C)N[C@H]2CC[N@H+]3CCC[C@H]3C2)cc1[N+](=O)[O-] ZINC000337594665 433242702 /nfs/dbraw/zinc/24/27/02/433242702.db2.gz OIBVFKBCACNMSQ-BPUTZDHNSA-N 1 1 303.406 3.181 20 5 DGBDMO Cc1ccc([C@H](C)N[C@@H]2CC[N@H+]3CCC[C@H]3C2)cc1[N+](=O)[O-] ZINC000337594667 433244318 /nfs/dbraw/zinc/24/43/18/433244318.db2.gz OIBVFKBCACNMSQ-IMJJTQAJSA-N 1 1 303.406 3.181 20 5 DGBDMO CC(C)[C@H](C)[N@@H+](C)Cc1nc(-c2ccc([N+](=O)[O-])cc2)no1 ZINC000298780308 433244953 /nfs/dbraw/zinc/24/49/53/433244953.db2.gz XIELBYCVXOAGCY-NSHDSACASA-N 1 1 304.350 3.121 20 5 DGBDMO Cc1ccc(CNC[C@H]2[N@H+](C)CCCC2(C)C)cc1[N+](=O)[O-] ZINC000447903675 433318866 /nfs/dbraw/zinc/31/88/66/433318866.db2.gz NXRKUCXNKAHXHY-MRXNPFEDSA-N 1 1 305.422 3.113 20 5 DGBDMO Cc1ccc(CNC[C@H]2[N@@H+](C)CCCC2(C)C)cc1[N+](=O)[O-] ZINC000447903675 433318874 /nfs/dbraw/zinc/31/88/74/433318874.db2.gz NXRKUCXNKAHXHY-MRXNPFEDSA-N 1 1 305.422 3.113 20 5 DGBDMO C[C@@H]1CN(c2ccc(C(F)(F)F)cc2[N+](=O)[O-])C[C@H](C)[N@@H+]1C ZINC000338783921 433323138 /nfs/dbraw/zinc/32/31/38/433323138.db2.gz IHQHSIMZDBFFIC-AOOOYVTPSA-N 1 1 317.311 3.142 20 5 DGBDMO O=[N+]([O-])c1cnn(CC[N@H+]2CCC[C@@H]2CC2CCCCC2)c1 ZINC000350733317 433270277 /nfs/dbraw/zinc/27/02/77/433270277.db2.gz ZSXYAMKSBQBHIQ-OAHLLOKOSA-N 1 1 306.410 3.226 20 5 DGBDMO COCC[N@H+](Cc1ccc([N+](=O)[O-])cc1)C[C@@H]1CC=CCC1 ZINC000361678157 433337314 /nfs/dbraw/zinc/33/73/14/433337314.db2.gz MBRIOSOYWBJNCW-OAHLLOKOSA-N 1 1 304.390 3.400 20 5 DGBDMO CC[N@@H+](CCC1CC1)Cc1nnc(-c2ccc([N+](=O)[O-])cc2)o1 ZINC000355035238 433425384 /nfs/dbraw/zinc/42/53/84/433425384.db2.gz HYNZGHNRQJPNJD-UHFFFAOYSA-N 1 1 316.361 3.267 20 5 DGBDMO CC(C)[C@@H]1[N@@H+](C[C@@H](O)c2cccc([N+](=O)[O-])c2)CC12CCC2 ZINC000291887337 433382015 /nfs/dbraw/zinc/38/20/15/433382015.db2.gz JFCLXBDLMQPYPM-CVEARBPZSA-N 1 1 304.390 3.139 20 5 DGBDMO Cc1ccc([C@H](C)[NH2+][C@H](C)c2cc3n(n2)CCC3)cc1[N+](=O)[O-] ZINC000414089969 433387769 /nfs/dbraw/zinc/38/77/69/433387769.db2.gz KKRXTLAWOIPEGY-QWHCGFSZSA-N 1 1 314.389 3.458 20 5 DGBDMO C[C@@H](c1nc(-c2ccc([N+](=O)[O-])o2)no1)[N@@H+]1[C@H](C)CC[C@@H]1C ZINC000351144856 433388989 /nfs/dbraw/zinc/38/89/89/433388989.db2.gz JCELGBCHBONVPG-AEJSXWLSSA-N 1 1 306.322 3.172 20 5 DGBDMO CC1(C)C[N@@H+](Cc2ccc(-c3cccc([N+](=O)[O-])c3)o2)C[C@H]1O ZINC000448358959 433390987 /nfs/dbraw/zinc/39/09/87/433390987.db2.gz IXZQLSBAPGLFTP-MRXNPFEDSA-N 1 1 316.357 3.058 20 5 DGBDMO COc1cncc(C[NH2+]C(C)(C)c2ccccc2[N+](=O)[O-])c1 ZINC000292047111 433440287 /nfs/dbraw/zinc/44/02/87/433440287.db2.gz BDPXBBPGAFBIGU-UHFFFAOYSA-N 1 1 301.346 3.023 20 5 DGBDMO C[N@@H+](CCc1ccc([N+](=O)[O-])cc1)CC1(O)CCCCCC1 ZINC000426214678 433443500 /nfs/dbraw/zinc/44/35/00/433443500.db2.gz IZBNEGHBLXQYSP-UHFFFAOYSA-N 1 1 306.406 3.154 20 5 DGBDMO Cc1cc([N+](=O)[O-])cnc1NCCCC[N@@H+]1CCCC[C@H]1C ZINC000301184050 433445322 /nfs/dbraw/zinc/44/53/22/433445322.db2.gz JCGBTWGBUFYADN-CQSZACIVSA-N 1 1 306.410 3.365 20 5 DGBDMO CCOc1ccc([C@H](C)[NH2+]Cc2cnc(C)o2)cc1[N+](=O)[O-] ZINC000414184927 433451668 /nfs/dbraw/zinc/45/16/68/433451668.db2.gz OXVDDQWHGIDACI-JTQLQIEISA-N 1 1 305.334 3.141 20 5 DGBDMO C[N@@H+](Cc1cc(Cl)cc(Cl)c1[N+](=O)[O-])C1(CO)CCC1 ZINC000292133483 433476345 /nfs/dbraw/zinc/47/63/45/433476345.db2.gz LOZFDZJOYGGJFX-UHFFFAOYSA-N 1 1 319.188 3.248 20 5 DGBDMO COc1ccc(-c2ccc(C[NH2+][C@@H](C)CF)o2)c([N+](=O)[O-])c1 ZINC000342195688 433532451 /nfs/dbraw/zinc/53/24/51/433532451.db2.gz DODSQDKPMCQGAS-JTQLQIEISA-N 1 1 308.309 3.311 20 5 DGBDMO Cc1ccnc(NCC(C)(C)[N@H+]2CCC[C@@H](C)C2)c1[N+](=O)[O-] ZINC000301306553 433498951 /nfs/dbraw/zinc/49/89/51/433498951.db2.gz VCSJIJGLTLHIPB-GFCCVEGCSA-N 1 1 306.410 3.221 20 5 DGBDMO C/C(=C\c1cccc([N+](=O)[O-])c1)C[N@H+]1CCC[C@H](CCO)CC1 ZINC000421401162 433550287 /nfs/dbraw/zinc/55/02/87/433550287.db2.gz SZJKALNLPZTISE-STTHAQSSSA-N 1 1 318.417 3.483 20 5 DGBDMO C[C@H](c1ccccc1[N+](=O)[O-])[N@@H+](C)C[C@H](O)Cc1ccccc1 ZINC000293145302 433635771 /nfs/dbraw/zinc/63/57/71/433635771.db2.gz BHQSRYRIEMKNLK-GDBMZVCRSA-N 1 1 314.385 3.191 20 5 DGBDMO CC(=O)c1cc(N(C)CC[C@H]2CCCC[N@H+]2C)ccc1[N+](=O)[O-] ZINC000342296094 433597596 /nfs/dbraw/zinc/59/75/96/433597596.db2.gz RDFSCLYRAWTBJS-CQSZACIVSA-N 1 1 319.405 3.108 20 5 DGBDMO O=[N+]([O-])c1ccc(Cl)cc1C[N@@H+]1CC[C@@H](O)C12CCCC2 ZINC000292826936 433598496 /nfs/dbraw/zinc/59/84/96/433598496.db2.gz TXJOLVSRMCNBNX-CQSZACIVSA-N 1 1 310.781 3.128 20 5 DGBDMO C[C@@H]1CC[C@@H]([N@H+](CCO)Cc2c(Cl)cccc2[N+](=O)[O-])C1 ZINC000351628139 433626183 /nfs/dbraw/zinc/62/61/83/433626183.db2.gz LMYWGKCGZJWMLQ-VXGBXAGGSA-N 1 1 312.797 3.231 20 5 DGBDMO C[C@@H]1CC[C@@H]([N@@H+](CCO)Cc2c(Cl)cccc2[N+](=O)[O-])C1 ZINC000351628139 433626190 /nfs/dbraw/zinc/62/61/90/433626190.db2.gz LMYWGKCGZJWMLQ-VXGBXAGGSA-N 1 1 312.797 3.231 20 5 DGBDMO Cc1nc(NCC(C)(C)[N@H+]2CCC[C@@H](C)C2)ccc1[N+](=O)[O-] ZINC000301650424 433656857 /nfs/dbraw/zinc/65/68/57/433656857.db2.gz PRBRUIHLMGPTSJ-GFCCVEGCSA-N 1 1 306.410 3.221 20 5 DGBDMO Cc1cc([N+](=O)[O-])cc(Cl)c1N1CC[C@H](c2[nH+]ccn2C)C1 ZINC000376114940 433670972 /nfs/dbraw/zinc/67/09/72/433670972.db2.gz NMXUNHRNVFOPCH-NSHDSACASA-N 1 1 320.780 3.284 20 5 DGBDMO CC[C@@H]1CC[C@@H](C)[N@H+]1CCC(=O)Nc1ccccc1[N+](=O)[O-] ZINC000283151206 433677118 /nfs/dbraw/zinc/67/71/18/433677118.db2.gz CJKJPZQGUNRCOX-CHWSQXEVSA-N 1 1 305.378 3.186 20 5 DGBDMO CC[C@]1(C)CCC[N@@H+](CCC(=O)Nc2ccc([N+](=O)[O-])cc2)C1 ZINC000362384772 433678153 /nfs/dbraw/zinc/67/81/53/433678153.db2.gz LKBIVQOZCDVXBM-QGZVFWFLSA-N 1 1 319.405 3.436 20 5 DGBDMO COCC[C@H]([NH2+]Cc1ccc([N+](=O)[O-])c(F)c1)c1ccco1 ZINC000283060283 433651633 /nfs/dbraw/zinc/65/16/33/433651633.db2.gz JMEXOEJLJQRSTI-ZDUSSCGKSA-N 1 1 308.309 3.194 20 5 DGBDMO Cc1cc(N2CC[C@H]3[C@@H](CCC[N@@H+]3C)C2)c(Cl)cc1[N+](=O)[O-] ZINC000301727448 433694573 /nfs/dbraw/zinc/69/45/73/433694573.db2.gz VTWOEKOTEGAMSA-JSGCOSHPSA-N 1 1 323.824 3.477 20 5 DGBDMO O=[N+]([O-])c1cc(F)c(N[C@H]2CC[N@H+](C3CCCC3)C2)c(F)c1 ZINC000301759704 433710960 /nfs/dbraw/zinc/71/09/60/433710960.db2.gz AXMINCMJACQXDO-JTQLQIEISA-N 1 1 311.332 3.302 20 5 DGBDMO O=C(CC[N@H+]1CC[C@@H](CC2CC2)C1)Nc1ccc([N+](=O)[O-])cc1 ZINC000339673988 433721464 /nfs/dbraw/zinc/72/14/64/433721464.db2.gz IDVVXXQKLYMVCG-AWEZNQCLSA-N 1 1 317.389 3.045 20 5 DGBDMO Cc1ccc(N2CC[C@@H]3[C@H](CCC[N@H+]3C3CC3)C2)c([N+](=O)[O-])c1 ZINC000301800307 433727574 /nfs/dbraw/zinc/72/75/74/433727574.db2.gz VNDDHGGOTHIBAH-GDBMZVCRSA-N 1 1 315.417 3.356 20 5 DGBDMO CCc1cccnc1[C@@H](C)[NH2+]Cc1cc([N+](=O)[O-])ccc1OC ZINC000356852352 433731180 /nfs/dbraw/zinc/73/11/80/433731180.db2.gz RLAAXVNMQWYPGB-GFCCVEGCSA-N 1 1 315.373 3.412 20 5 DGBDMO C[C@H](Cc1ccccc1[N+](=O)[O-])[NH2+]C1CCN(C(C)(C)C)CC1 ZINC000449091278 433722796 /nfs/dbraw/zinc/72/27/96/433722796.db2.gz POVQOOQRWSLEAG-CQSZACIVSA-N 1 1 319.449 3.378 20 5 DGBDMO C[N@H+]1CCC[C@@H]2CN(c3c(Cl)cccc3[N+](=O)[O-])CC[C@H]21 ZINC000432333664 433824920 /nfs/dbraw/zinc/82/49/20/433824920.db2.gz CWYYWZZKGMMLFE-DGCLKSJQSA-N 1 1 309.797 3.169 20 5 DGBDMO C[C@H]1C[C@@H]1[N@H+]1CCN(c2c(Cl)cccc2[N+](=O)[O-])C[C@@H](C)C1 ZINC000432146582 433820351 /nfs/dbraw/zinc/82/03/51/433820351.db2.gz CAUKXDACXNLABM-HUBLWGQQSA-N 1 1 323.824 3.415 20 5 DGBDMO CC[N@H+]1C[C@H](C)N(c2ccnc3c2cccc3[N+](=O)[O-])C[C@@H]1C ZINC000432345028 433822271 /nfs/dbraw/zinc/82/22/71/433822271.db2.gz FQOIVLLYQICHPT-STQMWFEESA-N 1 1 314.389 3.062 20 5 DGBDMO COc1cc(C[N@@H+](C)CCc2ccccc2)ccc1[N+](=O)[O-] ZINC000351971085 433826992 /nfs/dbraw/zinc/82/69/92/433826992.db2.gz OIPUJPJKDXLBMK-UHFFFAOYSA-N 1 1 300.358 3.278 20 5 DGBDMO Cc1cc(N2CCC[C@H]3C[N@@H+](C)CC[C@@H]32)c(Cl)cc1[N+](=O)[O-] ZINC000302715832 433834780 /nfs/dbraw/zinc/83/47/80/433834780.db2.gz FUOFKWOPRBALDJ-JSGCOSHPSA-N 1 1 323.824 3.477 20 5 DGBDMO C[N@H+](CCc1ccccc1[N+](=O)[O-])Cc1cccnc1Cl ZINC000285435640 433947592 /nfs/dbraw/zinc/94/75/92/433947592.db2.gz XBHCXDJHCUABKG-UHFFFAOYSA-N 1 1 305.765 3.318 20 5 DGBDMO C[N@@H+](CCc1ccccc1[N+](=O)[O-])Cc1cccnc1Cl ZINC000285435640 433947602 /nfs/dbraw/zinc/94/76/02/433947602.db2.gz XBHCXDJHCUABKG-UHFFFAOYSA-N 1 1 305.765 3.318 20 5 DGBDMO Cc1cnn([C@@H]2CC[N@H+](Cc3ccc(Cl)cc3[N+](=O)[O-])C2)c1 ZINC000377717381 433975933 /nfs/dbraw/zinc/97/59/33/433975933.db2.gz BSDVYENKDGKQIO-CQSZACIVSA-N 1 1 320.780 3.200 20 5 DGBDMO Cc1cnn([C@@H]2CC[N@@H+](Cc3ccc(Cl)cc3[N+](=O)[O-])C2)c1 ZINC000377717381 433975940 /nfs/dbraw/zinc/97/59/40/433975940.db2.gz BSDVYENKDGKQIO-CQSZACIVSA-N 1 1 320.780 3.200 20 5 DGBDMO C[C@@H](C(=O)Nc1ccc([N+](=O)[O-])cc1)[N@H+]1CCC[C@H](C)CC1 ZINC000357385917 433985421 /nfs/dbraw/zinc/98/54/21/433985421.db2.gz AXJDZYJAPHLHGK-STQMWFEESA-N 1 1 305.378 3.044 20 5 DGBDMO CN(CCC[N@@H+](C)Cc1cccc([N+](=O)[O-])c1)Cc1ccco1 ZINC000285545669 433988674 /nfs/dbraw/zinc/98/86/74/433988674.db2.gz GGVRTPGWRGDZFI-UHFFFAOYSA-N 1 1 317.389 3.142 20 5 DGBDMO CN(CCC[N@H+](C)Cc1ccco1)Cc1cccc([N+](=O)[O-])c1 ZINC000285545669 433988688 /nfs/dbraw/zinc/98/86/88/433988688.db2.gz GGVRTPGWRGDZFI-UHFFFAOYSA-N 1 1 317.389 3.142 20 5 DGBDMO CN(CCC[N@@H+](C)Cc1ccco1)Cc1cccc([N+](=O)[O-])c1 ZINC000285545669 433988701 /nfs/dbraw/zinc/98/87/01/433988701.db2.gz GGVRTPGWRGDZFI-UHFFFAOYSA-N 1 1 317.389 3.142 20 5 DGBDMO CC(=O)c1cc(NC[C@H](c2ccco2)[NH+](C)C)ccc1[N+](=O)[O-] ZINC000285638746 434020718 /nfs/dbraw/zinc/02/07/18/434020718.db2.gz NQTXPOUHENFARM-OAHLLOKOSA-N 1 1 317.345 3.105 20 5 DGBDMO C[N@@H+](CCC(=O)c1ccccc1)CCc1ccccc1[N+](=O)[O-] ZINC000352538260 434042927 /nfs/dbraw/zinc/04/29/27/434042927.db2.gz HNUDSBYHKLUVTC-UHFFFAOYSA-N 1 1 312.369 3.342 20 5 DGBDMO CC[C@@H]1CC[C@H](C)[N@H+]1CCC(=O)Nc1cccc([N+](=O)[O-])c1C ZINC000357524148 434063075 /nfs/dbraw/zinc/06/30/75/434063075.db2.gz AUQCTDRHOILPBX-GXTWGEPZSA-N 1 1 319.405 3.495 20 5 DGBDMO CC[C@@H]1CC[C@H](C)[N@H+]1CCC(=O)Nc1ccc([N+](=O)[O-])cc1C ZINC000357552076 434074438 /nfs/dbraw/zinc/07/44/38/434074438.db2.gz JZYWHUZWROYFPM-UONOGXRCSA-N 1 1 319.405 3.495 20 5 DGBDMO CCCc1nc(C)c(C[NH2+][C@@H](C)c2ccc(N)c([N+](=O)[O-])c2)o1 ZINC000294316861 434082168 /nfs/dbraw/zinc/08/21/68/434082168.db2.gz OCLXREUCKOYOGN-JTQLQIEISA-N 1 1 318.377 3.277 20 5 DGBDMO Cc1cccc([N+](=O)[O-])c1NC(=O)C[N@@H+]1CCC[C@H]1CC(C)C ZINC000500457597 294114135 /nfs/dbraw/zinc/11/41/35/294114135.db2.gz PXQJIYPEVMUNAB-AWEZNQCLSA-N 1 1 319.405 3.352 20 5 DGBDMO C[C@@H]1C[C@@H](Nc2nccc3c2cccc3[N+](=O)[O-])C[N@H+]1C1CC1 ZINC000450377150 434139255 /nfs/dbraw/zinc/13/92/55/434139255.db2.gz KOCNMBPNOVBGHJ-VXGBXAGGSA-N 1 1 312.373 3.180 20 5 DGBDMO Cc1c([C@H](C)N[C@@H]2CC[N@H+]3CCC[C@H]3C2)cccc1[N+](=O)[O-] ZINC000363791585 434148003 /nfs/dbraw/zinc/14/80/03/434148003.db2.gz JWIRHWMUKMFAEY-ZNMIVQPWSA-N 1 1 303.406 3.181 20 5 DGBDMO Cc1ccc([C@@H](C)[NH2+]CC2(N(C)C)CCCC2)cc1[N+](=O)[O-] ZINC000318030555 434209811 /nfs/dbraw/zinc/20/98/11/434209811.db2.gz FJJURXXBFUXUSX-CQSZACIVSA-N 1 1 305.422 3.428 20 5 DGBDMO Cc1nc(C[NH3+])ccc1[C@H](C)N[C@@H](C)c1ccc([N+](=O)[O-])cc1 ZINC000423147416 434247307 /nfs/dbraw/zinc/24/73/07/434247307.db2.gz RZQKSOBATLPKFA-RYUDHWBXSA-N 1 1 314.389 3.169 20 5 DGBDMO Cc1ccc([N+](=O)[O-])cc1[C@H](C)[NH2+][C@H]1C[C@@H](C)n2ccnc21 ZINC000515208010 294545969 /nfs/dbraw/zinc/54/59/69/294545969.db2.gz DOGVJBAXZREYLK-XUJVJEKNSA-N 1 1 300.362 3.456 20 5 DGBDMO COc1ccc(Cn2c[nH+]c3c2C[C@@H](C)[C@H](C)C3)cc1[N+](=O)[O-] ZINC000323871843 434270969 /nfs/dbraw/zinc/27/09/69/434270969.db2.gz LSGWMLDGCLDZFW-VXGBXAGGSA-N 1 1 315.373 3.219 20 5 DGBDMO O=[N+]([O-])c1ccc(NC[C@@H]2CC[N@H+](C3CC3)C2)c2ccncc21 ZINC000319705673 434223166 /nfs/dbraw/zinc/22/31/66/434223166.db2.gz DHNKYXAYFYUAQR-LBPRGKRZSA-N 1 1 312.373 3.039 20 5 DGBDMO O=[N+]([O-])c1ccc(C[NH2+][C@H]2CCc3c2cccc3O)c(F)c1 ZINC000295163599 434237433 /nfs/dbraw/zinc/23/74/33/434237433.db2.gz SLHVAKIXNOTEFD-HNNXBMFYSA-N 1 1 302.305 3.217 20 5 DGBDMO O=[N+]([O-])c1ccn(CC[N@H+]2CCCC3(C2)CCCCCC3)n1 ZINC000357900588 434237952 /nfs/dbraw/zinc/23/79/52/434237952.db2.gz BYXKRRMDMIQIOB-UHFFFAOYSA-N 1 1 306.410 3.228 20 5 DGBDMO COc1ccc([N+](=O)[O-])cc1C[N@H+]1CCS[C@@H]2CCCC[C@H]21 ZINC000437540020 434281336 /nfs/dbraw/zinc/28/13/36/434281336.db2.gz ACODTMJATZSJJW-GDBMZVCRSA-N 1 1 322.430 3.463 20 5 DGBDMO Cc1ccc([C@@H](C)[NH2+][C@H](CN)C2CCCCC2)cc1[N+](=O)[O-] ZINC000423266085 434323020 /nfs/dbraw/zinc/32/30/20/434323020.db2.gz RUTPLPYMAVPRNA-CZUORRHYSA-N 1 1 305.422 3.461 20 5 DGBDMO COCCc1cc[nH+]c(N[C@H](C)c2cccc([N+](=O)[O-])c2)c1 ZINC000287301073 434327898 /nfs/dbraw/zinc/32/78/98/434327898.db2.gz DPTIUSSHPPCNLJ-GFCCVEGCSA-N 1 1 301.346 3.352 20 5 DGBDMO C[C@H](CN[C@@H]1CCCCc2ccc([N+](=O)[O-])cc21)C[NH+](C)C ZINC000417353443 434361448 /nfs/dbraw/zinc/36/14/48/434361448.db2.gz XHALQHYSTOLBJT-CXAGYDPISA-N 1 1 305.422 3.150 20 5 DGBDMO CC[NH+]1CCC(N[C@@H]2CCCCc3ccc([N+](=O)[O-])cc32)CC1 ZINC000417302820 434352430 /nfs/dbraw/zinc/35/24/30/434352430.db2.gz BWBSMLPYMGIGRQ-GOSISDBHSA-N 1 1 317.433 3.436 20 5 DGBDMO C[N@@H+](Cc1ccc(-c2cccc([N+](=O)[O-])c2)o1)[C@H]1CCC[C@@H]1O ZINC000348562491 434402229 /nfs/dbraw/zinc/40/22/29/434402229.db2.gz ZRWJQPPKIXUWTB-HOTGVXAUSA-N 1 1 316.357 3.200 20 5 DGBDMO C[C@H](NC[C@@H]1[NH2+]CCc2ccccc21)c1ccc([N+](=O)[O-])cc1 ZINC000423427197 434421401 /nfs/dbraw/zinc/42/14/01/434421401.db2.gz NMWUAQKYNAMBGY-UGSOOPFHSA-N 1 1 311.385 3.132 20 5 DGBDMO CCO[C@H]1C[C@@H]([N@@H+](C)Cc2ccc(OC)c([N+](=O)[O-])c2)C1(C)C ZINC000353780079 434430386 /nfs/dbraw/zinc/43/03/86/434430386.db2.gz KGIGEGAJSMAXMX-CVEARBPZSA-N 1 1 322.405 3.239 20 5 DGBDMO CCOc1ncccc1C[NH2+][C@H]1CCc2c1cccc2[N+](=O)[O-] ZINC000520609748 294836897 /nfs/dbraw/zinc/83/68/97/294836897.db2.gz LDSQNGSGQMTJJN-HNNXBMFYSA-N 1 1 313.357 3.166 20 5 DGBDMO C[N@@H+](Cc1ccc(-c2cccc([N+](=O)[O-])c2)o1)[C@H]1CCCOC1 ZINC000348714410 434462444 /nfs/dbraw/zinc/46/24/44/434462444.db2.gz NRCHZWSPVPWHHY-HNNXBMFYSA-N 1 1 316.357 3.466 20 5 DGBDMO Cc1nn(C)c(Cl)c1C[NH2+][C@@H](C)c1ccc([N+](=O)[O-])cc1 ZINC000295991946 434464459 /nfs/dbraw/zinc/46/44/59/434464459.db2.gz KGFNMYSKQKJRGT-VIFPVBQESA-N 1 1 308.769 3.141 20 5 DGBDMO COc1ccncc1C[NH2+][C@@H](C)c1ccc(C)c([N+](=O)[O-])c1 ZINC000287880782 434470915 /nfs/dbraw/zinc/47/09/15/434470915.db2.gz SUWZOPKBPDBKBE-LBPRGKRZSA-N 1 1 301.346 3.158 20 5 DGBDMO Cc1ccc([N+](=O)[O-])cc1[C@@H](C)[N@H+]1CC[C@@H](O)CC(C)(C)C1 ZINC000296037374 434486815 /nfs/dbraw/zinc/48/68/15/434486815.db2.gz MUWOYRWCLZYBQI-UKRRQHHQSA-N 1 1 306.406 3.447 20 5 DGBDMO C[C@@H]([NH2+][C@H](c1nccn1C)C1CC1)c1ccc([N+](=O)[O-])cc1 ZINC000353860467 434487290 /nfs/dbraw/zinc/48/72/90/434487290.db2.gz DZYLKCGHIZPCPA-ABAIWWIYSA-N 1 1 300.362 3.130 20 5 DGBDMO CCC1(CC)CC[N@@H+](CC(=O)Nc2ccc([N+](=O)[O-])cc2C)C1 ZINC000438503697 434497335 /nfs/dbraw/zinc/49/73/35/434497335.db2.gz RYMKNGHZTKKBEU-UHFFFAOYSA-N 1 1 319.405 3.354 20 5 DGBDMO CCOc1ccc([N+](=O)[O-])cc1C[N@@H+]1CCS[C@@H](CC)C1 ZINC000353883414 434500282 /nfs/dbraw/zinc/50/02/82/434500282.db2.gz TVIUHHBWQWIPBS-AWEZNQCLSA-N 1 1 310.419 3.321 20 5 DGBDMO CCOc1ccc([N+](=O)[O-])cc1C[N@H+]1CCS[C@@H](CC)C1 ZINC000353883414 434500294 /nfs/dbraw/zinc/50/02/94/434500294.db2.gz TVIUHHBWQWIPBS-AWEZNQCLSA-N 1 1 310.419 3.321 20 5 DGBDMO C[C@@H]1C[C@H](c2ccccc2)CC[N@H+]1CCn1ccc([N+](=O)[O-])n1 ZINC000366877519 434529541 /nfs/dbraw/zinc/52/95/41/434529541.db2.gz CFGATMWJYYSRNL-GDBMZVCRSA-N 1 1 314.389 3.059 20 5 DGBDMO CCC[N@@H+]1CCC[C@@H]1CN[C@@H]1CCCc2ccc([N+](=O)[O-])cc21 ZINC000353970487 434550628 /nfs/dbraw/zinc/55/06/28/434550628.db2.gz FAFTZBQNQIKVBB-SJLPKXTDSA-N 1 1 317.433 3.436 20 5 DGBDMO CCC[N@H+]1CCC[C@@H]1CN[C@@H]1CCCc2ccc([N+](=O)[O-])cc21 ZINC000353970487 434550635 /nfs/dbraw/zinc/55/06/35/434550635.db2.gz FAFTZBQNQIKVBB-SJLPKXTDSA-N 1 1 317.433 3.436 20 5 DGBDMO CCO[C@H]1C[C@@H]([N@@H+](C)CCOc2ccc([N+](=O)[O-])cc2)C1(C)C ZINC000525411595 295015137 /nfs/dbraw/zinc/01/51/37/295015137.db2.gz WIECUBBKGQVXFY-CVEARBPZSA-N 1 1 322.405 3.109 20 5 DGBDMO CN1CCN(Cc2ccc(Cl)cc2[N+](=O)[O-])c2ccc[nH+]c21 ZINC000348951398 434563912 /nfs/dbraw/zinc/56/39/12/434563912.db2.gz RRUPVUZQEJHQCF-UHFFFAOYSA-N 1 1 318.764 3.100 20 5 DGBDMO CO[C@H]1C[C@@H]([N@H+](C)Cc2c(F)cccc2[N+](=O)[O-])C12CCC2 ZINC000451858886 434579728 /nfs/dbraw/zinc/57/97/28/434579728.db2.gz VXCQQZZUMWVSKX-CABCVRRESA-N 1 1 308.353 3.123 20 5 DGBDMO CO[C@H]1C[C@@H]([N@@H+](C)Cc2c(F)cccc2[N+](=O)[O-])C12CCC2 ZINC000451858886 434579735 /nfs/dbraw/zinc/57/97/35/434579735.db2.gz VXCQQZZUMWVSKX-CABCVRRESA-N 1 1 308.353 3.123 20 5 DGBDMO CCOc1ccc([C@H](C)[NH2+]Cc2ccc(F)cn2)cc1[N+](=O)[O-] ZINC000349206981 434635688 /nfs/dbraw/zinc/63/56/88/434635688.db2.gz DVUOVXDNNYTIIR-NSHDSACASA-N 1 1 319.336 3.378 20 5 DGBDMO O=[N+]([O-])c1ccc(C[N@H+]2CCC[C@@H](C[C@H]3CCOC3)C2)cc1 ZINC000371442633 434703062 /nfs/dbraw/zinc/70/30/62/434703062.db2.gz KBWUVKNVTNVGOW-JKSUJKDBSA-N 1 1 304.390 3.233 20 5 DGBDMO CC(C)[C@H]1CCC[N@H+]1CCC(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000411185590 434740430 /nfs/dbraw/zinc/74/04/30/434740430.db2.gz NSQPAOYOXFDWRI-OAHLLOKOSA-N 1 1 305.378 3.044 20 5 DGBDMO CC[C@H]1C[C@@H](C)C[N@H+]1CCC(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000411306877 434760402 /nfs/dbraw/zinc/76/04/02/434760402.db2.gz WUANUWZGAQNLKI-OCCSQVGLSA-N 1 1 305.378 3.044 20 5 DGBDMO O=[N+]([O-])c1cccc(C[N@H+]2Cc3ccc(O)cc3C3(CC3)C2)c1 ZINC000361012455 434765805 /nfs/dbraw/zinc/76/58/05/434765805.db2.gz XAZJEXHXRRTSSC-UHFFFAOYSA-N 1 1 310.353 3.348 20 5 DGBDMO O=[N+]([O-])c1cccc(C[N@@H+]2Cc3ccc(O)cc3C3(CC3)C2)c1 ZINC000361012455 434765808 /nfs/dbraw/zinc/76/58/08/434765808.db2.gz XAZJEXHXRRTSSC-UHFFFAOYSA-N 1 1 310.353 3.348 20 5 DGBDMO Cc1cc([N+](=O)[O-])ccc1C[N@H+]1CC(C)(C)O[C@@H]2CCC[C@H]21 ZINC000442972429 434773319 /nfs/dbraw/zinc/77/33/19/434773319.db2.gz ZTPKJWYZVNYNDF-HZPDHXFCSA-N 1 1 304.390 3.435 20 5 DGBDMO Cc1c(NC(=O)CC[N@@H+]2C[C@H](C)[C@@H](C)[C@H]2C)cccc1[N+](=O)[O-] ZINC000419373863 434782015 /nfs/dbraw/zinc/78/20/15/434782015.db2.gz OUQHZWWJCDRUIN-OUCADQQQSA-N 1 1 319.405 3.208 20 5 DGBDMO CC[C@@H]1[C@H](C)CC[N@H+]1CCC(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000411556362 434801261 /nfs/dbraw/zinc/80/12/61/434801261.db2.gz OSMRQAHYPMUNMG-IUODEOHRSA-N 1 1 305.378 3.044 20 5 DGBDMO CC[C@@H]1[C@@H](C)CC[N@H+]1CCC(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000411556364 434802016 /nfs/dbraw/zinc/80/20/16/434802016.db2.gz OSMRQAHYPMUNMG-SWLSCSKDSA-N 1 1 305.378 3.044 20 5 DGBDMO C[C@@H]1CCC(C)(C)[N@H+]1CCC(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000411799908 434829906 /nfs/dbraw/zinc/82/99/06/434829906.db2.gz BTTXFUCSQBCLSW-GFCCVEGCSA-N 1 1 305.378 3.186 20 5 DGBDMO Cc1c(C[N@H+]2C[C@@H](O)C[C@H]2c2ccccc2)cccc1[N+](=O)[O-] ZINC000411956537 434847882 /nfs/dbraw/zinc/84/78/82/434847882.db2.gz WDPXDZBPQKXEGB-WMZOPIPTSA-N 1 1 312.369 3.211 20 5 DGBDMO Cc1c(NC(=O)[C@H](C)[N@H+]2CC(C)(C)C[C@@H]2C)cccc1[N+](=O)[O-] ZINC000412041489 434860367 /nfs/dbraw/zinc/86/03/67/434860367.db2.gz LMNVYZOKYAYGGI-AAEUAGOBSA-N 1 1 319.405 3.351 20 5 DGBDMO C[C@H](C[NH+]1CCCCC1)N[C@H]1CCc2c1cccc2[N+](=O)[O-] ZINC000573696998 434919321 /nfs/dbraw/zinc/91/93/21/434919321.db2.gz OPYGPMQFSLPVLL-CJNGLKHVSA-N 1 1 303.406 3.046 20 5 DGBDMO O=[N+]([O-])c1ccc2c(c1)C[N@@H+](C[C@H]1CCC3(CCCC3)O1)CC2 ZINC000554825512 434949228 /nfs/dbraw/zinc/94/92/28/434949228.db2.gz TUFJGWBAKHOGIL-QGZVFWFLSA-N 1 1 316.401 3.445 20 5 DGBDMO O=[N+]([O-])c1ccc2c(c1)C[N@H+](C[C@H]1CCC3(CCCC3)O1)CC2 ZINC000554825512 434949231 /nfs/dbraw/zinc/94/92/31/434949231.db2.gz TUFJGWBAKHOGIL-QGZVFWFLSA-N 1 1 316.401 3.445 20 5 DGBDMO CCn1c2cc(F)ccc2[nH+]c1NCc1cccc([N+](=O)[O-])c1 ZINC000463520269 434963549 /nfs/dbraw/zinc/96/35/49/434963549.db2.gz VMAXHNAFBFDITE-UHFFFAOYSA-N 1 1 314.320 3.716 20 5 DGBDMO O=[N+]([O-])c1ccc(CC[N@@H+]2CCOC[C@H]2c2ccccc2)cc1 ZINC000464841526 435006299 /nfs/dbraw/zinc/00/62/99/435006299.db2.gz YBMWRUVOOWLTCD-SFHVURJKSA-N 1 1 312.369 3.211 20 5 DGBDMO O=[N+]([O-])c1ccc(CC[N@H+]2CCOC[C@H]2c2ccccc2)cc1 ZINC000464841526 435006301 /nfs/dbraw/zinc/00/63/01/435006301.db2.gz YBMWRUVOOWLTCD-SFHVURJKSA-N 1 1 312.369 3.211 20 5 DGBDMO C[N@H+]1CCN(Cc2ccc([N+](=O)[O-])cc2)C2(CCCCC2)C1 ZINC000531402204 435091815 /nfs/dbraw/zinc/09/18/15/435091815.db2.gz MDLLREMIDXIVPB-UHFFFAOYSA-N 1 1 303.406 3.045 20 5 DGBDMO O=[N+]([O-])c1ccc(CC[N@H+]2CCC=C(c3ccccn3)C2)cc1 ZINC000578589651 435094003 /nfs/dbraw/zinc/09/40/03/435094003.db2.gz KEZYSZIHNZIETI-UHFFFAOYSA-N 1 1 309.369 3.322 20 5 DGBDMO C[C@H]1C[N@H+]2CCCC[C@@H]2CN1Cc1c(Cl)cccc1[N+](=O)[O-] ZINC000493060041 435101592 /nfs/dbraw/zinc/10/15/92/435101592.db2.gz VMAGYPQPYDQZNG-QWHCGFSZSA-N 1 1 323.824 3.307 20 5 DGBDMO CC[C@@H]1C[C@@H](C)C[N@H+]1CCC(=O)Nc1ccc([N+](=O)[O-])cc1C ZINC000467205092 435110850 /nfs/dbraw/zinc/11/08/50/435110850.db2.gz FYXFBZZXKALHRD-TZMCWYRMSA-N 1 1 319.405 3.352 20 5 DGBDMO Cc1ccc([N+](=O)[O-])cc1[C@H](C)N[C@@H]1C[C@@H](C)[N@H+](C2CC2)C1 ZINC000531721903 435112669 /nfs/dbraw/zinc/11/26/69/435112669.db2.gz XMLWLPXJWVTFPM-HZSPNIEDSA-N 1 1 303.406 3.179 20 5 DGBDMO CO[C@@H](C[N@@H+](C)CCc1cccc([N+](=O)[O-])c1)c1ccccc1 ZINC000558892869 435114772 /nfs/dbraw/zinc/11/47/72/435114772.db2.gz LVZHCZGNAXKOTN-SFHVURJKSA-N 1 1 314.385 3.457 20 5 DGBDMO C[N@@H+](CCc1cccc([N+](=O)[O-])c1)Cc1c[nH]nc1C(C)(C)C ZINC000559072034 435120130 /nfs/dbraw/zinc/12/01/30/435120130.db2.gz PMKXKONEJLLRBO-UHFFFAOYSA-N 1 1 316.405 3.290 20 5 DGBDMO C/C(=C/c1cccc([N+](=O)[O-])c1)CN[C@H](C)C[NH+]1CCCCC1 ZINC000579854304 435188286 /nfs/dbraw/zinc/18/82/86/435188286.db2.gz UJFUZLBTZLTJRK-UVQBRAAOSA-N 1 1 317.433 3.462 20 5 DGBDMO CC(C)C[C@@]1(CO)CCC[N@H+]1C/C=C/c1ccccc1[N+](=O)[O-] ZINC000475377996 435195062 /nfs/dbraw/zinc/19/50/62/435195062.db2.gz CQEAPJBIKYCJSJ-KRZKXXONSA-N 1 1 318.417 3.481 20 5 DGBDMO Cc1cccc([N+](=O)[O-])c1NC(=O)C[N@H+](C)[C@@H]1CCC[C@@H](C)C1 ZINC000532927375 435201150 /nfs/dbraw/zinc/20/11/50/435201150.db2.gz DMYOGLUZAWPIAX-TZMCWYRMSA-N 1 1 319.405 3.352 20 5 DGBDMO CC[N@@H+](Cc1nc(-c2ccc([N+](=O)[O-])cc2)no1)C1CCC1 ZINC000532575787 435177609 /nfs/dbraw/zinc/17/76/09/435177609.db2.gz AUCJSXHOOWEKTM-UHFFFAOYSA-N 1 1 302.334 3.019 20 5 DGBDMO Cc1c(C[N@@H+]2CCC[C@]2(CO)CC(C)C)cccc1[N+](=O)[O-] ZINC000475722800 435210366 /nfs/dbraw/zinc/21/03/66/435210366.db2.gz MFEZLIZOVJPRQW-QGZVFWFLSA-N 1 1 306.406 3.276 20 5 DGBDMO CCC(CC)[N@@H+](CC(=O)Nc1ccc([N+](=O)[O-])cc1C)C1CC1 ZINC000533404366 435233605 /nfs/dbraw/zinc/23/36/05/435233605.db2.gz KRJXTBJEKOZQEU-UHFFFAOYSA-N 1 1 319.405 3.495 20 5 DGBDMO C[N@@H+](C/C=C\c1ccccc1[N+](=O)[O-])C[C@@H]1CCCC[C@H]1O ZINC000497117324 435299195 /nfs/dbraw/zinc/29/91/95/435299195.db2.gz UMUMSBGGJISXID-BQUHIEPJSA-N 1 1 304.390 3.091 20 5 DGBDMO CCOc1cc(N[C@H](C)C2=CC[N@@H+](C)CC2)ccc1[N+](=O)[O-] ZINC000511370259 435320879 /nfs/dbraw/zinc/32/08/79/435320879.db2.gz RLIUESZBODPGRG-GFCCVEGCSA-N 1 1 305.378 3.056 20 5 DGBDMO O=[N+]([O-])c1ccccc1/C=C/C[N@H+]1CCC[C@@H]1[C@H]1CCCOC1 ZINC000567887390 435364565 /nfs/dbraw/zinc/36/45/65/435364565.db2.gz JJDQHORSBZNHHU-LJIZSIIESA-N 1 1 316.401 3.499 20 5 DGBDMO COc1ccc2c(c1)CC[N@H+](Cc1cccc([N+](=O)[O-])c1)CC2 ZINC000535549994 435337299 /nfs/dbraw/zinc/33/72/99/435337299.db2.gz IKVFGTCFQMRQOE-UHFFFAOYSA-N 1 1 312.369 3.204 20 5 DGBDMO CC[C@@H]1C[C@@H](C)C[N@H+]1Cc1cc(OC)c(OC)cc1[N+](=O)[O-] ZINC000538725758 435517348 /nfs/dbraw/zinc/51/73/48/435517348.db2.gz VKUQJYFVYRRINF-DGCLKSJQSA-N 1 1 308.378 3.232 20 5 DGBDMO O=[N+]([O-])c1ccc(CC[N@@H+]2CCc3c(F)cc(F)cc3C2)cc1 ZINC000483513277 435522122 /nfs/dbraw/zinc/52/21/22/435522122.db2.gz MYGOCGHAQSQACM-UHFFFAOYSA-N 1 1 318.323 3.474 20 5 DGBDMO O=[N+]([O-])c1ccc(CC[N@H+]2CCc3c(F)cc(F)cc3C2)cc1 ZINC000483513277 435522125 /nfs/dbraw/zinc/52/21/25/435522125.db2.gz MYGOCGHAQSQACM-UHFFFAOYSA-N 1 1 318.323 3.474 20 5 DGBDMO CC[N@@H+]1CCCC[C@@H]1CN[C@H](C)c1ccc(C)c([N+](=O)[O-])c1 ZINC000482864341 435486615 /nfs/dbraw/zinc/48/66/15/435486615.db2.gz AQXTYVGAJQNWQV-GDBMZVCRSA-N 1 1 305.422 3.428 20 5 DGBDMO CC[N@H+]1CCCC[C@@H]1CN[C@H](C)c1ccc(C)c([N+](=O)[O-])c1 ZINC000482864341 435486617 /nfs/dbraw/zinc/48/66/17/435486617.db2.gz AQXTYVGAJQNWQV-GDBMZVCRSA-N 1 1 305.422 3.428 20 5 DGBDMO Cc1ccc([C@H](C)[NH2+]CC[C@H]2CCCC[N@@H+]2C)cc1[N+](=O)[O-] ZINC000538278049 435490831 /nfs/dbraw/zinc/49/08/31/435490831.db2.gz JGEWMASVDSHLAB-GOEBONIOSA-N 1 1 305.422 3.428 20 5 DGBDMO Cc1cccc([N+](=O)[O-])c1NC(=O)C[N@H+](C)[C@@H]1CCC(C)(C)C1 ZINC000483102039 435495994 /nfs/dbraw/zinc/49/59/94/435495994.db2.gz VWNCYACGRPWGNO-CYBMUJFWSA-N 1 1 319.405 3.352 20 5 DGBDMO CCC[N@@H+](CC(=O)Nc1ccc(OCC)cc1[N+](=O)[O-])C(C)C ZINC000569740281 435557760 /nfs/dbraw/zinc/55/77/60/435557760.db2.gz YKEAVLAWDJNPSG-UHFFFAOYSA-N 1 1 323.393 3.052 20 5 DGBDMO O=[N+]([O-])c1ccc(N[C@@H]2CC[N@@H+](CC3CCCCCC3)C2)nc1 ZINC000539835926 435572785 /nfs/dbraw/zinc/57/27/85/435572785.db2.gz WNFNMLWJUGUBFL-OAHLLOKOSA-N 1 1 318.421 3.446 20 5 DGBDMO CCCC[N@@H+](C)C[C@H](C)NC(=O)Nc1cc([N+](=O)[O-])ccc1C ZINC000570122723 435591692 /nfs/dbraw/zinc/59/16/92/435591692.db2.gz BVACDOPXUKSZNX-ZDUSSCGKSA-N 1 1 322.409 3.145 20 5 DGBDMO O=[N+]([O-])c1ccc(CC[N@H+]2CCC[C@@H]2[C@@H]2CCCOC2)cc1 ZINC000570276842 435604728 /nfs/dbraw/zinc/60/47/28/435604728.db2.gz USTAUSXPWMTUEP-NVXWUHKLSA-N 1 1 304.390 3.028 20 5 DGBDMO CC(C)C[C@@H](CN[C@H]1CCc2c1cccc2[N+](=O)[O-])[NH+](C)C ZINC000571225184 435689170 /nfs/dbraw/zinc/68/91/70/435689170.db2.gz VSTZGLRUAQBCOI-BBRMVZONSA-N 1 1 305.422 3.148 20 5 DGBDMO O=[N+]([O-])c1cccc2c1CC[C@H]2[NH2+]C1CCN(C2CCC2)CC1 ZINC000571415720 435706008 /nfs/dbraw/zinc/70/60/08/435706008.db2.gz BLVOVQVQKAEWMF-QGZVFWFLSA-N 1 1 315.417 3.189 20 5 DGBDMO O=[N+]([O-])c1ccc(C[N@@H+]2CC[C@@H](Nc3ccccc3)C2)c(F)c1 ZINC000491236960 435720217 /nfs/dbraw/zinc/72/02/17/435720217.db2.gz AJFKIFBATZVWGV-OAHLLOKOSA-N 1 1 315.348 3.420 20 5 DGBDMO O=[N+]([O-])c1ccc(C[N@H+]2CC[C@@H](Nc3ccccc3)C2)c(F)c1 ZINC000491236960 435720219 /nfs/dbraw/zinc/72/02/19/435720219.db2.gz AJFKIFBATZVWGV-OAHLLOKOSA-N 1 1 315.348 3.420 20 5 DGBDMO CC1(C)C[N@@H+](Cc2nc3cc([N+](=O)[O-])ccc3[nH]2)[C@@H]2CCC[C@@H]21 ZINC000550063519 435791729 /nfs/dbraw/zinc/79/17/29/435791729.db2.gz NRCSGZNHMVGYAB-SWLSCSKDSA-N 1 1 314.389 3.482 20 5 DGBDMO CC1(C)C[N@@H+](Cc2nc3cc([N+](=O)[O-])ccc3[nH]2)[C@@H]2CCC[C@H]21 ZINC000550063518 435791742 /nfs/dbraw/zinc/79/17/42/435791742.db2.gz NRCSGZNHMVGYAB-IUODEOHRSA-N 1 1 314.389 3.482 20 5 DGBDMO CC[N@@H+](CCNc1ccc([N+](=O)[O-])cc1F)CCC(F)(F)F ZINC000491606035 435780048 /nfs/dbraw/zinc/78/00/48/435780048.db2.gz BATJPOVMNUBQDD-UHFFFAOYSA-N 1 1 323.290 3.420 20 5 DGBDMO C[C@H](O)C[N@H+](Cc1ccccc1)Cc1ccc([N+](=O)[O-])cc1F ZINC000530623709 313390366 /nfs/dbraw/zinc/39/03/66/313390366.db2.gz ZAJJNUJLQSQVSK-ZDUSSCGKSA-N 1 1 318.348 3.117 20 5 DGBDMO C[C@H](O)C[N@@H+](Cc1ccccc1)Cc1ccc([N+](=O)[O-])cc1F ZINC000530623709 313390368 /nfs/dbraw/zinc/39/03/68/313390368.db2.gz ZAJJNUJLQSQVSK-ZDUSSCGKSA-N 1 1 318.348 3.117 20 5 DGBDMO Cc1ccc([N+](=O)[O-])c(N2CC[NH+](Cc3ccsc3)CC2)c1 ZINC000536020820 313745897 /nfs/dbraw/zinc/74/58/97/313745897.db2.gz UMEQSEBPMGVNRV-UHFFFAOYSA-N 1 1 317.414 3.287 20 5 DGBDMO C[C@H](C(=O)Nc1cccc([N+](=O)[O-])c1)[N@H+]1CC[C@@H](C(C)(C)C)C1 ZINC000543249555 314123666 /nfs/dbraw/zinc/12/36/66/314123666.db2.gz JPENDIZIJOGJCP-CHWSQXEVSA-N 1 1 319.405 3.290 20 5 DGBDMO C[C@@H]1C[C@@H](Nc2ccc([N+](=O)[O-])cc2OC(F)F)CC[N@H+]1C ZINC000545474548 314253477 /nfs/dbraw/zinc/25/34/77/314253477.db2.gz LWDBONUVOMQSCS-ZJUUUORDSA-N 1 1 315.320 3.091 20 5 DGBDMO C[C@H]1C[C@H](Nc2ccc([N+](=O)[O-])cc2OC(F)F)CC[N@H+]1C ZINC000545474547 314253538 /nfs/dbraw/zinc/25/35/38/314253538.db2.gz LWDBONUVOMQSCS-VHSXEESVSA-N 1 1 315.320 3.091 20 5 DGBDMO Cc1ccc([N+](=O)[O-])cc1[C@H](C)[NH2+][C@H](CCO)c1ccco1 ZINC000545984958 314282259 /nfs/dbraw/zinc/28/22/59/314282259.db2.gz ZEJAGEQFUCDYOK-SWLSCSKDSA-N 1 1 304.346 3.271 20 5 DGBDMO CCCC[N@@H+](C)C[C@@H](C)NC(=O)Nc1ccc(C)c([N+](=O)[O-])c1 ZINC000563781280 315137052 /nfs/dbraw/zinc/13/70/52/315137052.db2.gz KEUUWJQTKXNJQA-CYBMUJFWSA-N 1 1 322.409 3.145 20 5 DGBDMO Cc1ccc([N+](=O)[O-])cc1[C@H](C)N[C@@H]1CC[N@H+]2CCCC[C@@H]12 ZINC000564508164 315179886 /nfs/dbraw/zinc/17/98/86/315179886.db2.gz BJXQWNIUQAHQLH-XKQJLSEDSA-N 1 1 303.406 3.181 20 5 DGBDMO Cc1ccc([N+](=O)[O-])cc1[C@H](C)[NH2+][C@@H]1CCN2CCCC[C@@H]12 ZINC000564508164 315179887 /nfs/dbraw/zinc/17/98/87/315179887.db2.gz BJXQWNIUQAHQLH-XKQJLSEDSA-N 1 1 303.406 3.181 20 5 DGBDMO Cc1ccc(C[N@H+]2CCC[C@H]2[C@@H]2CCCOC2)cc1[N+](=O)[O-] ZINC000564986556 315217353 /nfs/dbraw/zinc/21/73/53/315217353.db2.gz PFZBZPZODJTJBS-CVEARBPZSA-N 1 1 304.390 3.294 20 5 DGBDMO O=[N+]([O-])c1ccc(C[N@H+](C[C@@H]2CCCC[C@@H]2O)C2CC2)cc1 ZINC000565988847 315302499 /nfs/dbraw/zinc/30/24/99/315302499.db2.gz GKOTTZZSHODCCE-YOEHRIQHSA-N 1 1 304.390 3.110 20 5 DGBDMO O=[N+]([O-])c1ccc2c(c1)C[N@H+](CCCc1ccccc1)CCO2 ZINC000576625495 316150171 /nfs/dbraw/zinc/15/01/71/316150171.db2.gz KLASVFZUKXGGRM-UHFFFAOYSA-N 1 1 312.369 3.422 20 5 DGBDMO C/C(=C\c1cccc([N+](=O)[O-])c1)CNC[C@@H]1CC[N@@H+](C(C)C)C1 ZINC000576742577 316162175 /nfs/dbraw/zinc/16/21/75/316162175.db2.gz VKUCKXQHLJBEFH-FVLHSZHDSA-N 1 1 317.433 3.318 20 5 DGBDMO C/C(=C\c1cccc([N+](=O)[O-])c1)CNC[C@@H]1CC[N@H+](C(C)C)C1 ZINC000576742577 316162180 /nfs/dbraw/zinc/16/21/80/316162180.db2.gz VKUCKXQHLJBEFH-FVLHSZHDSA-N 1 1 317.433 3.318 20 5 DGBDMO COc1ccc([N+](=O)[O-])c(OCC[N@@H+](C)Cc2ccccc2)c1 ZINC000576822574 316171564 /nfs/dbraw/zinc/17/15/64/316171564.db2.gz KTSHQWPPURWNPA-UHFFFAOYSA-N 1 1 316.357 3.114 20 5 DGBDMO CCCC[N@H+](C)CCN[C@@H]1CCCc2ccc([N+](=O)[O-])cc21 ZINC000577050607 316196626 /nfs/dbraw/zinc/19/66/26/316196626.db2.gz CIIYJIXAUWYNGG-QGZVFWFLSA-N 1 1 305.422 3.294 20 5 DGBDMO CCCC[N@@H+](C)CCN[C@@H]1CCCc2ccc([N+](=O)[O-])cc21 ZINC000577050607 316196629 /nfs/dbraw/zinc/19/66/29/316196629.db2.gz CIIYJIXAUWYNGG-QGZVFWFLSA-N 1 1 305.422 3.294 20 5 DGBDMO C[N@@H+](CCOc1ccccc1F)CCc1cccc([N+](=O)[O-])c1 ZINC000580964500 324059145 /nfs/dbraw/zinc/05/91/45/324059145.db2.gz CVGYFJRZIQVRKZ-UHFFFAOYSA-N 1 1 318.348 3.287 20 5 DGBDMO CCCC[N@@H+](C)C[C@@H](C)Nc1c2c(ccc1[N+](=O)[O-])NCC2 ZINC000583236715 324329543 /nfs/dbraw/zinc/32/95/43/324329543.db2.gz WSWXHHWUPZHDJB-GFCCVEGCSA-N 1 1 306.410 3.095 20 5 DGBDMO Cc1nnsc1C[N@H+]1CCC[C@@H](c2ccc([N+](=O)[O-])cc2)C1 ZINC000583502677 324362824 /nfs/dbraw/zinc/36/28/24/324362824.db2.gz AROQMTLWGPKBSC-CYBMUJFWSA-N 1 1 318.402 3.134 20 5 DGBDMO CSC[C@@H]1CCC[N@@H+](CCOc2cccc([N+](=O)[O-])c2)C1 ZINC000292457752 533732945 /nfs/dbraw/zinc/73/29/45/533732945.db2.gz QBXMNDZLXJFKOW-CYBMUJFWSA-N 1 1 310.419 3.049 20 5 DGBDMO Cc1ccc(C[N@@H+](C)CCOc2ccccc2)cc1[N+](=O)[O-] ZINC000434981665 533872199 /nfs/dbraw/zinc/87/21/99/533872199.db2.gz LHKUNIXMXHJYDT-UHFFFAOYSA-N 1 1 300.358 3.414 20 5 DGBDMO C[C@@H]1C[C@H](Nc2ccnc3c2cccc3[N+](=O)[O-])CC[N@H+]1C ZINC000317733370 533971283 /nfs/dbraw/zinc/97/12/83/533971283.db2.gz ROOXVVUISKUKLG-VXGBXAGGSA-N 1 1 300.362 3.038 20 5 DGBDMO C[C@@H]1CC[C@H]([N@@H+](C)Cc2nc(-c3cccc([N+](=O)[O-])c3)no2)C1 ZINC000429568707 534246630 /nfs/dbraw/zinc/24/66/30/534246630.db2.gz OWKPTSUTFMEHRX-YPMHNXCESA-N 1 1 316.361 3.265 20 5 DGBDMO CC(=O)c1ccc(NC[C@@H]2CCCC[N@H+]2C2CC2)c([N+](=O)[O-])c1 ZINC000433802228 527316409 /nfs/dbraw/zinc/31/64/09/527316409.db2.gz OLSJVDWJFWBQLE-HNNXBMFYSA-N 1 1 317.389 3.226 20 5 DGBDMO C/C(=C/c1cccc([N+](=O)[O-])c1)CN1CC[C@@]2(CC[N@H+](C)C2)C1 ZINC000430126944 527501319 /nfs/dbraw/zinc/50/13/19/527501319.db2.gz VWNDTKKSSNRLOH-QWSHFYNQSA-N 1 1 315.417 3.026 20 5 DGBDMO CCN(C/C=C/c1ccccc1[N+](=O)[O-])[C@H]1CCC[NH2+]CC1 ZINC000435389972 527871012 /nfs/dbraw/zinc/87/10/12/527871012.db2.gz NRBZIAXWYXSQLY-BVBGJJFLSA-N 1 1 303.406 3.072 20 5 DGBDMO CCC[N@@H+](CC)Cc1cn(C)nc1-c1ccc([N+](=O)[O-])cc1 ZINC000434985911 528003680 /nfs/dbraw/zinc/00/36/80/528003680.db2.gz LJVGHJUJHJBDBV-UHFFFAOYSA-N 1 1 302.378 3.227 20 5 DGBDMO CC(C)[N@@H+](C)C[C@@H](C)Nc1ncc([N+](=O)[O-])cc1C(F)(F)F ZINC000413310526 528828464 /nfs/dbraw/zinc/82/84/64/528828464.db2.gz NOCYYFMHPGWPDZ-SECBINFHSA-N 1 1 320.315 3.149 20 5 DGBDMO CC1(C)CCC[N@H+](CCNC/C=C/c2ccccc2[N+](=O)[O-])C1 ZINC000444010949 528935856 /nfs/dbraw/zinc/93/58/56/528935856.db2.gz QSJUUWOZACWGBF-VMPITWQZSA-N 1 1 317.433 3.320 20 5 DGBDMO CC1(C)CCC[N@@H+](CCNC/C=C/c2ccccc2[N+](=O)[O-])C1 ZINC000444010949 528935859 /nfs/dbraw/zinc/93/58/59/528935859.db2.gz QSJUUWOZACWGBF-VMPITWQZSA-N 1 1 317.433 3.320 20 5 DGBDMO CCO[C@H]1CC[N@@H+](Cc2ccc([N+](=O)[O-])cc2Cl)C[C@@H]1C ZINC000449500214 535631135 /nfs/dbraw/zinc/63/11/35/535631135.db2.gz MQHLDXBXKQMQQW-NHYWBVRUSA-N 1 1 312.797 3.495 20 5 DGBDMO C[C@H]1Cc2ccccc2C[N@@H+]1Cn1ncc2ccc([N+](=O)[O-])cc21 ZINC000742158510 574982643 /nfs/dbraw/zinc/98/26/43/574982643.db2.gz IVHYKRMHAQMWGE-ZDUSSCGKSA-N 1 1 322.368 3.349 20 5 DGBDMO C[C@H]1Cc2ccccc2C[N@H+]1Cn1ncc2ccc([N+](=O)[O-])cc21 ZINC000742158510 574982644 /nfs/dbraw/zinc/98/26/44/574982644.db2.gz IVHYKRMHAQMWGE-ZDUSSCGKSA-N 1 1 322.368 3.349 20 5 DGBDMO CC[C@@H](O)[C@@H]1CCCC[N@H+]1Cc1cc(Cl)ccc1[N+](=O)[O-] ZINC000746669490 575289204 /nfs/dbraw/zinc/28/92/04/575289204.db2.gz DJSJUJQCPUALQY-LSDHHAIUSA-N 1 1 312.797 3.374 20 5 DGBDMO CC[N@@H+]1CCCC[C@@H]1C(=O)O[C@H](C)c1cccc([N+](=O)[O-])c1 ZINC000745083454 575375023 /nfs/dbraw/zinc/37/50/23/575375023.db2.gz MJZALOONDGMFQQ-IUODEOHRSA-N 1 1 306.362 3.073 20 5 DGBDMO CC[N@H+]1CCCC[C@@H]1C(=O)O[C@H](C)c1cccc([N+](=O)[O-])c1 ZINC000745083454 575375025 /nfs/dbraw/zinc/37/50/25/575375025.db2.gz MJZALOONDGMFQQ-IUODEOHRSA-N 1 1 306.362 3.073 20 5 DGBDMO O=[N+]([O-])c1ccc(Cl)cc1C[N@@H+]1CCC[C@@H](n2ccnc2)C1 ZINC000746666501 575467829 /nfs/dbraw/zinc/46/78/29/575467829.db2.gz OOYFMOLCQALCPG-CQSZACIVSA-N 1 1 320.780 3.282 20 5 DGBDMO O=[N+]([O-])c1ccc(Cl)cc1C[N@H+]1CCC[C@@H](n2ccnc2)C1 ZINC000746666501 575467831 /nfs/dbraw/zinc/46/78/31/575467831.db2.gz OOYFMOLCQALCPG-CQSZACIVSA-N 1 1 320.780 3.282 20 5 DGBDMO O=[N+]([O-])c1ccc(F)cc1C[N@H+]1CCC[C@]2(CCCOC2)C1 ZINC000747531932 575523957 /nfs/dbraw/zinc/52/39/57/575523957.db2.gz GIIUIKZFZUCDNA-INIZCTEOSA-N 1 1 308.353 3.127 20 5 DGBDMO CC(C)C[C@H]1CCC[N@H+]1Cn1ncc2cc([N+](=O)[O-])ccc21 ZINC000748791246 575606601 /nfs/dbraw/zinc/60/66/01/575606601.db2.gz GEBPIXNJQLPZHE-CQSZACIVSA-N 1 1 302.378 3.413 20 5 DGBDMO O=[N+]([O-])c1ccc(Cl)c(C[N@H+]2CCC[C@@H]([C@@H]3CCOC3)C2)c1 ZINC000749558952 575665096 /nfs/dbraw/zinc/66/50/96/575665096.db2.gz KDZXNMOILVDIBI-CHWSQXEVSA-N 1 1 324.808 3.497 20 5 DGBDMO O=[N+]([O-])c1ccc([C@H](O)C[N@@H+](CCC2CC2)CC2CC2)cc1 ZINC000852717382 620642737 /nfs/dbraw/zinc/64/27/37/620642737.db2.gz IOWIDQCECWDKNP-QGZVFWFLSA-N 1 1 304.390 3.140 20 5 DGBDMO C[N@H+]1CC[C@]2(CCN(c3ccc(C(F)F)cc3[N+](=O)[O-])C2)C1 ZINC000853644891 620719500 /nfs/dbraw/zinc/71/95/00/620719500.db2.gz DHIYVUXQPUBGQA-HNNXBMFYSA-N 1 1 311.332 3.064 20 5 DGBDMO CCC(=O)c1ccc(N2CCC[N@H+](CC)C[C@@H]2C)c([N+](=O)[O-])c1 ZINC000853684647 620724840 /nfs/dbraw/zinc/72/48/40/620724840.db2.gz GPRNILSGCDYYPS-ZDUSSCGKSA-N 1 1 319.405 3.108 20 5 DGBDMO Cc1nn(C[N@H+]2CCC3(CCC3)C2)c2cc([N+](=O)[O-])ccc12 ZINC000121255622 617606057 /nfs/dbraw/zinc/60/60/57/617606057.db2.gz JYWBKDSQAHGOJJ-UHFFFAOYSA-N 1 1 300.362 3.086 20 5 DGBDMO C[N@@H+](Cc1ccccc1[N+](=O)[O-])C[C@H]1C[C@@]1(C)Br ZINC000891620469 617854218 /nfs/dbraw/zinc/85/42/18/617854218.db2.gz APJHENUBDJAWLQ-DGCLKSJQSA-N 1 1 313.195 3.200 20 5 DGBDMO C[N@H+](Cc1ccccc1[N+](=O)[O-])C[C@H]1C[C@@]1(C)Br ZINC000891620469 617854226 /nfs/dbraw/zinc/85/42/26/617854226.db2.gz APJHENUBDJAWLQ-DGCLKSJQSA-N 1 1 313.195 3.200 20 5 DGBDMO CSC[C@H]1CCC[N@H+]1Cn1nc(C)c2ccc([N+](=O)[O-])cc21 ZINC000121267250 617941191 /nfs/dbraw/zinc/94/11/91/617941191.db2.gz FRVIRUZYPDTDQN-CYBMUJFWSA-N 1 1 320.418 3.038 20 5 DGBDMO COCCOc1ccc(C[NH2+][C@@H](C)c2ccc([N+](=O)[O-])cc2)o1 ZINC000894656809 618413548 /nfs/dbraw/zinc/41/35/48/618413548.db2.gz HNSHEJPHXVBIQK-LBPRGKRZSA-N 1 1 320.345 3.064 20 5 DGBDMO COC1CCC(C[N@@H+](C)CCc2cccc([N+](=O)[O-])c2)CC1 ZINC000894273761 618748672 /nfs/dbraw/zinc/74/86/72/618748672.db2.gz URSMAFXUCNSFBD-UHFFFAOYSA-N 1 1 306.406 3.274 20 5 DGBDMO CCN1CC[C@H]([NH2+]C[C@H](C)c2ccccc2[N+](=O)[O-])[C@H](C)C1 ZINC000897465720 619130520 /nfs/dbraw/zinc/13/05/20/619130520.db2.gz GZQPHMWGCTZUIR-LZWOXQAQSA-N 1 1 305.422 3.018 20 5 DGBDMO CCCC[N@@H+](C)C[C@H](C)NC(=O)c1c(C)c(C)ccc1[N+](=O)[O-] ZINC000897789918 619182927 /nfs/dbraw/zinc/18/29/27/619182927.db2.gz YDAOSMBVPUVPLQ-ZDUSSCGKSA-N 1 1 321.421 3.062 20 5 DGBDMO Cc1cc([N+](=O)[O-])ccc1-c1noc([C@H]2CCC[N@@H+]2C(C)C)n1 ZINC000923885905 619249968 /nfs/dbraw/zinc/24/99/68/619249968.db2.gz JMEIQMYXSHCMEX-CQSZACIVSA-N 1 1 316.361 3.499 20 5 DGBDMO Cc1c([C@H](C)[NH2+]Cc2cc(C3CC3)n(C)n2)cccc1[N+](=O)[O-] ZINC000927111203 619266908 /nfs/dbraw/zinc/26/69/08/619266908.db2.gz ABRPXXAWWOHNQW-LBPRGKRZSA-N 1 1 314.389 3.365 20 5 DGBDMO CCc1[nH+]c(C)cn1Cc1c(Br)cccc1[N+](=O)[O-] ZINC000901590869 619519694 /nfs/dbraw/zinc/51/96/94/619519694.db2.gz VBZFHHIHPKVCGO-UHFFFAOYSA-N 1 1 324.178 3.473 20 5 DGBDMO C[C@H](C[NH2+][C@H]1C[C@@H](N)c2ccccc21)c1ccccc1[N+](=O)[O-] ZINC000902428322 619634320 /nfs/dbraw/zinc/63/43/20/619634320.db2.gz BULKSIIIEWTMAI-JLZZUVOBSA-N 1 1 311.385 3.433 20 5 DGBDMO C[C@H](CN[C@H]1C[C@@H]([NH3+])c2ccccc21)c1ccccc1[N+](=O)[O-] ZINC000902428322 619634322 /nfs/dbraw/zinc/63/43/22/619634322.db2.gz BULKSIIIEWTMAI-JLZZUVOBSA-N 1 1 311.385 3.433 20 5 DGBDMO Cn1c[nH+]cc1CCOc1cc(Cl)c([N+](=O)[O-])cc1Cl ZINC000902834849 619682259 /nfs/dbraw/zinc/68/22/59/619682259.db2.gz PEMPMVGZYOJSBA-UHFFFAOYSA-N 1 1 316.144 3.257 20 5 DGBDMO Cc1ccc([N+](=O)[O-])cc1[C@@H](C)[NH2+][C@H](c1nncn1C)C(C)C ZINC000903060929 619708414 /nfs/dbraw/zinc/70/84/14/619708414.db2.gz IKXAGMHFUPSAEK-DOMZBBRYSA-N 1 1 317.393 3.080 20 5 DGBDMO COc1cc([C@@H](C)[NH2+]Cc2cccc(C)n2)cc([N+](=O)[O-])c1 ZINC000903075399 619711774 /nfs/dbraw/zinc/71/17/74/619711774.db2.gz VHOLTNNDJRNYGC-GFCCVEGCSA-N 1 1 301.346 3.158 20 5 DGBDMO COc1cc([C@H](C)N[C@@H]2CC[N@H+](C(C)(C)C)C2)cc([N+](=O)[O-])c1 ZINC000903199623 619734876 /nfs/dbraw/zinc/73/48/76/619734876.db2.gz KWYPVUMHBLGKFR-GXTWGEPZSA-N 1 1 321.421 3.127 20 5 DGBDMO COc1cc([C@H](C)[NH2+][C@@H]2CCN(C(C)(C)C)C2)cc([N+](=O)[O-])c1 ZINC000903199623 619734878 /nfs/dbraw/zinc/73/48/78/619734878.db2.gz KWYPVUMHBLGKFR-GXTWGEPZSA-N 1 1 321.421 3.127 20 5 DGBDMO CC[C@@H]([NH2+]Cc1cc(N(C)C)ccn1)c1cccc([N+](=O)[O-])c1 ZINC000903201233 619735385 /nfs/dbraw/zinc/73/53/85/619735385.db2.gz GNBBUPYJDUIGLR-QGZVFWFLSA-N 1 1 314.389 3.297 20 5 DGBDMO COc1cc([C@@H](C)[NH2+][C@@H](C)c2nccnc2C)cc([N+](=O)[O-])c1 ZINC000903216758 619740302 /nfs/dbraw/zinc/74/03/02/619740302.db2.gz HXUCNIBVPURUCZ-PWSUYJOCSA-N 1 1 316.361 3.114 20 5 DGBDMO CCc1onc(C)c1C[NH2+][C@@H](C)c1cc(OC)cc([N+](=O)[O-])c1 ZINC000903227847 619744100 /nfs/dbraw/zinc/74/41/00/619744100.db2.gz RIGJWAHJHKKMQF-JTQLQIEISA-N 1 1 319.361 3.313 20 5 DGBDMO COC(=O)c1coc([C@@H](C)[NH2+][C@H](C)c2ccc([N+](=O)[O-])cc2)c1 ZINC000903286613 619754464 /nfs/dbraw/zinc/75/44/64/619754464.db2.gz CQJVNPDDUCGNRG-GHMZBOCLSA-N 1 1 318.329 3.386 20 5 DGBDMO [NH3+]CC1([C@H]2CCCCN2Cc2ccc([N+](=O)[O-])cc2)CCC1 ZINC000903814148 619814492 /nfs/dbraw/zinc/81/44/92/619814492.db2.gz KOUQUQGRAAFUSM-MRXNPFEDSA-N 1 1 303.406 3.078 20 5 DGBDMO C[N@@H+](Cc1nc(-c2ccc([N+](=O)[O-])s2)no1)CC(C)(C)C ZINC000904051853 619865712 /nfs/dbraw/zinc/86/57/12/619865712.db2.gz XJDIOPAFELIISX-UHFFFAOYSA-N 1 1 310.379 3.184 20 5 DGBDMO CC(C)CC[N@@H+](Cn1ncc2ccc([N+](=O)[O-])cc21)C1CC1 ZINC000914566592 620542674 /nfs/dbraw/zinc/54/26/74/620542674.db2.gz BZFBQFKGMZWKQA-UHFFFAOYSA-N 1 1 302.378 3.413 20 5 DGBDMO COc1ccc(C[NH2+][C@@H](C)c2c(C)noc2C)cc1[N+](=O)[O-] ZINC000113957933 620964956 /nfs/dbraw/zinc/96/49/56/620964956.db2.gz IYTVDPVCPKLKKY-VIFPVBQESA-N 1 1 305.334 3.059 20 5 DGBDMO C[C@@H]([NH2+]Cc1cnn(CC2CCC2)c1)c1ccccc1[N+](=O)[O-] ZINC000921966835 620974609 /nfs/dbraw/zinc/97/46/09/620974609.db2.gz OTMPZHALSGQLQE-CYBMUJFWSA-N 1 1 314.389 3.442 20 5 DGBDMO CCO[C@@H](C[N@H+](C)Cc1cc([N+](=O)[O-])ccc1Cl)C1CC1 ZINC000859168429 621256556 /nfs/dbraw/zinc/25/65/56/621256556.db2.gz ONARTKDRAYWMEL-HNNXBMFYSA-N 1 1 312.797 3.495 20 5 DGBDMO CCO[C@@H](C[N@@H+](C)Cc1cc([N+](=O)[O-])ccc1Cl)C1CC1 ZINC000859168429 621256560 /nfs/dbraw/zinc/25/65/60/621256560.db2.gz ONARTKDRAYWMEL-HNNXBMFYSA-N 1 1 312.797 3.495 20 5 DGBDMO C[C@H]([NH2+]Cc1cc(CO)ccc1F)c1ccc([N+](=O)[O-])cc1 ZINC000859319938 621269587 /nfs/dbraw/zinc/26/95/87/621269587.db2.gz ULZBRBVANRHCQG-NSHDSACASA-N 1 1 304.321 3.077 20 5 DGBDMO C/C=C/C[C@@H]1CCC[N@@H+](C[C@@H](O)c2cccc([N+](=O)[O-])c2)C1 ZINC000860182725 621378522 /nfs/dbraw/zinc/37/85/22/621378522.db2.gz BRJZIUBQKRAVMV-DTPTURRISA-N 1 1 304.390 3.306 20 5 DGBDMO C[C@@H]1CC[C@@H](C)[NH+]1CC(=O)Nc1cc(Cl)ccc1[N+](=O)[O-] ZINC000839506058 621382517 /nfs/dbraw/zinc/38/25/17/621382517.db2.gz SREVHNYYKHCATM-NXEZZACHSA-N 1 1 311.769 3.060 20 5 DGBDMO C[C@H]1C[C@H](Nc2nc3ccc([N+](=O)[O-])cc3s2)C[N@H+]1C1CC1 ZINC000754024412 621480320 /nfs/dbraw/zinc/48/03/20/621480320.db2.gz KPAARNOSZPUOPY-UWVGGRQHSA-N 1 1 318.402 3.242 20 5 DGBDMO CC[N@H+]1CCN(c2ccc([N+](=O)[O-])cc2C(F)(F)F)C[C@H]1C ZINC000754079757 621485659 /nfs/dbraw/zinc/48/56/59/621485659.db2.gz LCMNZHPMYWPVNM-SNVBAGLBSA-N 1 1 317.311 3.144 20 5 DGBDMO O=[N+]([O-])c1cccc(F)c1C[NH2+][C@@H](CCO)c1cccs1 ZINC000754394902 621508806 /nfs/dbraw/zinc/50/88/06/621508806.db2.gz LOCFPDGEYDCLRR-LBPRGKRZSA-N 1 1 310.350 3.009 20 5 DGBDMO O=[N+]([O-])c1ccc(Cl)cc1C[N@H+]1CC[C@@H](C2CCOCC2)C1 ZINC000755056091 621549317 /nfs/dbraw/zinc/54/93/17/621549317.db2.gz CQQGXCDWADLPBD-CYBMUJFWSA-N 1 1 324.808 3.497 20 5 DGBDMO O=[N+]([O-])c1ccc(CNC[C@H]2CC[N@@H+]2C2CCCC2)cc1Cl ZINC000862522752 621596615 /nfs/dbraw/zinc/59/66/15/621596615.db2.gz FVUONAYNEQIUPV-CQSZACIVSA-N 1 1 323.824 3.355 20 5 DGBDMO O=[N+]([O-])c1ccc(CNC[C@H]2CC[N@H+]2C2CCCC2)cc1Cl ZINC000862522752 621596618 /nfs/dbraw/zinc/59/66/18/621596618.db2.gz FVUONAYNEQIUPV-CQSZACIVSA-N 1 1 323.824 3.355 20 5 DGBDMO CCC1(CC)CC[N@@H+](Cn2nc(C)c3cc([N+](=O)[O-])cnc32)C1 ZINC000755929975 621604758 /nfs/dbraw/zinc/60/47/58/621604758.db2.gz FECOVDFSYMSRRK-UHFFFAOYSA-N 1 1 317.393 3.118 20 5 DGBDMO CCc1ccc(C2CC[NH+](Cn3nccc3[N+](=O)[O-])CC2)cc1 ZINC000863326461 621663371 /nfs/dbraw/zinc/66/33/71/621663371.db2.gz QBDHZAOMEHOMDS-UHFFFAOYSA-N 1 1 314.389 3.191 20 5 DGBDMO Cc1ccc(OCC[N@@H+]2CCc3c(cccc3[N+](=O)[O-])C2)cc1 ZINC000757167671 621691394 /nfs/dbraw/zinc/69/13/94/621691394.db2.gz IQBYRRGKRXXRRP-UHFFFAOYSA-N 1 1 312.369 3.340 20 5 DGBDMO Cc1ccc(OCC[N@H+]2CCc3c(cccc3[N+](=O)[O-])C2)cc1 ZINC000757167671 621691396 /nfs/dbraw/zinc/69/13/96/621691396.db2.gz IQBYRRGKRXXRRP-UHFFFAOYSA-N 1 1 312.369 3.340 20 5 DGBDMO Cc1cc(Cc2noc([C@@H]([NH3+])CCC(C)C)n2)ccc1[N+](=O)[O-] ZINC000863663460 621697168 /nfs/dbraw/zinc/69/71/68/621697168.db2.gz CEPKOAQEQNONEB-ZDUSSCGKSA-N 1 1 318.377 3.313 20 5 DGBDMO CCC[C@H]1CCC[N@@H+](Cn2ncc3ccc([N+](=O)[O-])cc32)C1 ZINC000757610375 621727799 /nfs/dbraw/zinc/72/77/99/621727799.db2.gz MKFJAMGKKVIFBX-ZDUSSCGKSA-N 1 1 302.378 3.414 20 5 DGBDMO C[C@@H]1C[N@H+](C2CC2)C[C@H]1Nc1nc2ccc([N+](=O)[O-])cc2s1 ZINC000757797332 621740175 /nfs/dbraw/zinc/74/01/75/621740175.db2.gz VINCTHCUNHZYHP-NOZJJQNGSA-N 1 1 318.402 3.099 20 5 DGBDMO O=[N+]([O-])c1ccc2[nH+]ccc(N3CCC(n4cccn4)CC3)c2c1 ZINC000865475810 621929904 /nfs/dbraw/zinc/92/99/04/621929904.db2.gz GCSFHALVVKSDSX-UHFFFAOYSA-N 1 1 323.356 3.181 20 5 DGBDMO Cc1ccc([C@H](C)[NH2+]Cc2cn(C3CC3)cn2)cc1[N+](=O)[O-] ZINC000865485109 621933064 /nfs/dbraw/zinc/93/30/64/621933064.db2.gz LVHOBFCMWKQWAO-LBPRGKRZSA-N 1 1 300.362 3.285 20 5 DGBDMO CCCC[N@@H+](Cn1nc(C)c2ccc([N+](=O)[O-])cc21)C1CC1 ZINC000761279126 621998624 /nfs/dbraw/zinc/99/86/24/621998624.db2.gz CVDVRUREXOZCBH-UHFFFAOYSA-N 1 1 302.378 3.475 20 5 DGBDMO Cc1cccc2c1C[N@H+](Cn1ncc3ccc([N+](=O)[O-])cc31)CC2 ZINC000762085705 622051619 /nfs/dbraw/zinc/05/16/19/622051619.db2.gz BFXUWXUVZAYNPT-UHFFFAOYSA-N 1 1 322.368 3.269 20 5 DGBDMO Cc1cccc2c1C[N@@H+](Cn1ncc3ccc([N+](=O)[O-])cc31)CC2 ZINC000762085705 622051622 /nfs/dbraw/zinc/05/16/22/622051622.db2.gz BFXUWXUVZAYNPT-UHFFFAOYSA-N 1 1 322.368 3.269 20 5 DGBDMO Cc1c(C[N@H+](CCN(C)C)C2CCCC2)cccc1[N+](=O)[O-] ZINC000762295131 622068200 /nfs/dbraw/zinc/06/82/00/622068200.db2.gz XMTHQOVRKMSHJV-UHFFFAOYSA-N 1 1 305.422 3.209 20 5 DGBDMO Cc1c(CN(CC[NH+](C)C)C2CCCC2)cccc1[N+](=O)[O-] ZINC000762295131 622068202 /nfs/dbraw/zinc/06/82/02/622068202.db2.gz XMTHQOVRKMSHJV-UHFFFAOYSA-N 1 1 305.422 3.209 20 5 DGBDMO C[C@H](Cc1ccc(F)cc1[N+](=O)[O-])[NH2+][C@@H]1CCCC1(F)F ZINC000866355876 622101805 /nfs/dbraw/zinc/10/18/05/622101805.db2.gz GAJSRUMRDBXDOQ-NOZJJQNGSA-N 1 1 302.296 3.442 20 5 DGBDMO Cc1[nH+]ccn1CCCOC(=O)c1ccc(Cl)cc1[N+](=O)[O-] ZINC000763113916 622124493 /nfs/dbraw/zinc/12/44/93/622124493.db2.gz PRMFRLVLJUGRRG-UHFFFAOYSA-N 1 1 323.736 3.000 20 5 DGBDMO CC(C)[C@@H]1c2ccccc2CC[N@H+]1Cn1nccc1[N+](=O)[O-] ZINC000763241663 622133056 /nfs/dbraw/zinc/13/30/56/622133056.db2.gz POKFAUMWIVIOKF-MRXNPFEDSA-N 1 1 300.362 3.004 20 5 DGBDMO CC(C)[C@@H]1c2ccccc2CC[N@@H+]1Cn1nccc1[N+](=O)[O-] ZINC000763241663 622133057 /nfs/dbraw/zinc/13/30/57/622133057.db2.gz POKFAUMWIVIOKF-MRXNPFEDSA-N 1 1 300.362 3.004 20 5 DGBDMO C[C@@H](c1ccccc1[N+](=O)[O-])N1CC[C@](C[NH3+])(C(C)(C)C)C1 ZINC000866705557 622158837 /nfs/dbraw/zinc/15/88/37/622158837.db2.gz CMBGDASQZFUYAM-SUMWQHHRSA-N 1 1 305.422 3.353 20 5 DGBDMO Cc1nn(C[N@H+](C)[C@@H](C)C2(C)CC2)c2ccc([N+](=O)[O-])cc12 ZINC000765069446 622243425 /nfs/dbraw/zinc/24/34/25/622243425.db2.gz YFTSGIHMXQECDX-LBPRGKRZSA-N 1 1 302.378 3.331 20 5 DGBDMO Cc1nn(C[N@@H+]2CC[C@@H](C(C)C)C2)c2ccc([N+](=O)[O-])cc12 ZINC000765083379 622244814 /nfs/dbraw/zinc/24/48/14/622244814.db2.gz ZETVHTUBIVXKJD-CYBMUJFWSA-N 1 1 302.378 3.188 20 5 DGBDMO CC[N@H+]1C[C@@H](C)N(Cc2cc(Cl)ccc2[N+](=O)[O-])C[C@H]1C ZINC000766248914 622315163 /nfs/dbraw/zinc/31/51/63/622315163.db2.gz JGTHFGNDGBEZHM-VXGBXAGGSA-N 1 1 311.813 3.163 20 5 DGBDMO Cc1[nH+]ccn1CCCOC(=O)c1cc(Cl)cc([N+](=O)[O-])c1 ZINC000767640194 622409948 /nfs/dbraw/zinc/40/99/48/622409948.db2.gz CYVHSRQMZSGDGN-UHFFFAOYSA-N 1 1 323.736 3.000 20 5 DGBDMO Cc1cc(C[NH+]2CCN(c3ccc([N+](=O)[O-])cc3)CC2)c(C)o1 ZINC000768150898 622441915 /nfs/dbraw/zinc/44/19/15/622441915.db2.gz MHPUOMYEKDUNKI-UHFFFAOYSA-N 1 1 315.373 3.127 20 5 DGBDMO C[C@H]1CCCC[N@H+]1CCCCNc1ccnc(F)c1[N+](=O)[O-] ZINC000881810387 625568235 /nfs/dbraw/zinc/56/82/35/625568235.db2.gz QSOPVGKHUVBJGM-LBPRGKRZSA-N 1 1 310.373 3.195 20 5 DGBDMO C[C@H](N[C@@H]1CC[N@H+]2CCCC[C@@H]12)c1c(F)cccc1[N+](=O)[O-] ZINC000872023863 622757431 /nfs/dbraw/zinc/75/74/31/622757431.db2.gz WIPFZAFYTSIFGF-YUTCNCBUSA-N 1 1 307.369 3.011 20 5 DGBDMO CSc1ccc([N+](=O)[O-])cc1[C@H](C)NCC[N@@H+](C)C(C)C ZINC000872031504 622762831 /nfs/dbraw/zinc/76/28/31/622762831.db2.gz PRFOTBSOINKTBR-LBPRGKRZSA-N 1 1 311.451 3.308 20 5 DGBDMO CSc1ccc([N+](=O)[O-])cc1[C@H](C)[NH2+]CCN(C)C(C)C ZINC000872031504 622762836 /nfs/dbraw/zinc/76/28/36/622762836.db2.gz PRFOTBSOINKTBR-LBPRGKRZSA-N 1 1 311.451 3.308 20 5 DGBDMO CC[NH+]1CCC(CN[C@@H](C)c2c(F)cccc2[N+](=O)[O-])CC1 ZINC000872033077 622764875 /nfs/dbraw/zinc/76/48/75/622764875.db2.gz DXNUBNYENQKXDN-LBPRGKRZSA-N 1 1 309.385 3.116 20 5 DGBDMO CSc1ccc([N+](=O)[O-])cc1[C@@H](C)[NH2+][C@H](C)c1cnn(C)c1 ZINC000872039110 622768823 /nfs/dbraw/zinc/76/88/23/622768823.db2.gz QNBVKDZZVVPICH-GHMZBOCLSA-N 1 1 320.418 3.462 20 5 DGBDMO CSc1ccc([N+](=O)[O-])cc1[C@H](C)[NH2+][C@@H](C)c1cn[nH]c1 ZINC000872052945 622777982 /nfs/dbraw/zinc/77/79/82/622777982.db2.gz UNCHRSXCPQGPQP-UWVGGRQHSA-N 1 1 306.391 3.452 20 5 DGBDMO C[C@@H](NCC[C@H]1CCC[N@H+](C)C1)c1c(F)cccc1[N+](=O)[O-] ZINC000872077766 622792640 /nfs/dbraw/zinc/79/26/40/622792640.db2.gz AXTBSPZDRBSXJR-CHWSQXEVSA-N 1 1 309.385 3.116 20 5 DGBDMO C[C@@H](NCC[C@H]1CCC[N@@H+](C)C1)c1c(F)cccc1[N+](=O)[O-] ZINC000872077766 622792642 /nfs/dbraw/zinc/79/26/42/622792642.db2.gz AXTBSPZDRBSXJR-CHWSQXEVSA-N 1 1 309.385 3.116 20 5 DGBDMO CSc1ccc([N+](=O)[O-])cc1[C@H](C)NCC1([NH+](C)C)CC1 ZINC000872078690 622792808 /nfs/dbraw/zinc/79/28/08/622792808.db2.gz DDHLJWCRQSDEPE-NSHDSACASA-N 1 1 309.435 3.062 20 5 DGBDMO C[C@H](NCC[C@H]1CCC[N@H+](C)C1)c1c(F)cccc1[N+](=O)[O-] ZINC000872077768 622792905 /nfs/dbraw/zinc/79/29/05/622792905.db2.gz AXTBSPZDRBSXJR-QWHCGFSZSA-N 1 1 309.385 3.116 20 5 DGBDMO C[C@H](NCC[C@H]1CCC[N@@H+](C)C1)c1c(F)cccc1[N+](=O)[O-] ZINC000872077768 622792911 /nfs/dbraw/zinc/79/29/11/622792911.db2.gz AXTBSPZDRBSXJR-QWHCGFSZSA-N 1 1 309.385 3.116 20 5 DGBDMO CC(C)(O)[C@H]1CCCN(c2cc[nH+]c3ccc([N+](=O)[O-])cc32)C1 ZINC000872672972 622951545 /nfs/dbraw/zinc/95/15/45/622951545.db2.gz DFPXTHMCSBHPDA-LBPRGKRZSA-N 1 1 315.373 3.130 20 5 DGBDMO CC[C@@H](CSC)[N@@H+](C)Cn1nc(C)c2cc([N+](=O)[O-])ccc21 ZINC000773257489 623006382 /nfs/dbraw/zinc/00/63/82/623006382.db2.gz YDIUFYVRDUMJMO-LBPRGKRZSA-N 1 1 322.434 3.284 20 5 DGBDMO Cc1c(C[NH2+][C@@H](c2ccccc2F)[C@@H](C)O)cccc1[N+](=O)[O-] ZINC000873133378 623044470 /nfs/dbraw/zinc/04/44/70/623044470.db2.gz GIQROHSMAVZLKR-SJKOYZFVSA-N 1 1 318.348 3.254 20 5 DGBDMO CCOc1cccc(C[NH2+][C@H](C)c2ccccc2[N+](=O)[O-])n1 ZINC000873184573 623064782 /nfs/dbraw/zinc/06/47/82/623064782.db2.gz SBCZHGLRRURWLP-GFCCVEGCSA-N 1 1 301.346 3.239 20 5 DGBDMO CC[N@@H+]1CCCC[C@@H]1C(=O)O[C@H](C)c1ccccc1[N+](=O)[O-] ZINC000774015782 623099802 /nfs/dbraw/zinc/09/98/02/623099802.db2.gz OBNHNMBDTJGVBD-IUODEOHRSA-N 1 1 306.362 3.073 20 5 DGBDMO CC[N@H+]1CCCC[C@@H]1C(=O)O[C@H](C)c1ccccc1[N+](=O)[O-] ZINC000774015782 623099809 /nfs/dbraw/zinc/09/98/09/623099809.db2.gz OBNHNMBDTJGVBD-IUODEOHRSA-N 1 1 306.362 3.073 20 5 DGBDMO CC[N@@H+]1CCCC[C@H]1C(=O)O[C@H](C)c1ccccc1[N+](=O)[O-] ZINC000774015776 623100052 /nfs/dbraw/zinc/10/00/52/623100052.db2.gz OBNHNMBDTJGVBD-DOMZBBRYSA-N 1 1 306.362 3.073 20 5 DGBDMO CC[N@H+]1CCCC[C@H]1C(=O)O[C@H](C)c1ccccc1[N+](=O)[O-] ZINC000774015776 623100057 /nfs/dbraw/zinc/10/00/57/623100057.db2.gz OBNHNMBDTJGVBD-DOMZBBRYSA-N 1 1 306.362 3.073 20 5 DGBDMO C[C@@H]1CCC[N@@H+]1CCN[C@@H]1CCCc2ccc([N+](=O)[O-])cc21 ZINC000774206330 623120049 /nfs/dbraw/zinc/12/00/49/623120049.db2.gz AYEVTWOYHZTWKY-CXAGYDPISA-N 1 1 303.406 3.046 20 5 DGBDMO C[C@@H]1CCC[N@H+]1CCN[C@@H]1CCCc2ccc([N+](=O)[O-])cc21 ZINC000774206330 623120051 /nfs/dbraw/zinc/12/00/51/623120051.db2.gz AYEVTWOYHZTWKY-CXAGYDPISA-N 1 1 303.406 3.046 20 5 DGBDMO C[C@H]1CCC[N@@H+]1CCN[C@H]1CCCc2ccc([N+](=O)[O-])cc21 ZINC000774206332 623120174 /nfs/dbraw/zinc/12/01/74/623120174.db2.gz AYEVTWOYHZTWKY-GUYCJALGSA-N 1 1 303.406 3.046 20 5 DGBDMO C[C@H]1CCC[N@H+]1CCN[C@H]1CCCc2ccc([N+](=O)[O-])cc21 ZINC000774206332 623120176 /nfs/dbraw/zinc/12/01/76/623120176.db2.gz AYEVTWOYHZTWKY-GUYCJALGSA-N 1 1 303.406 3.046 20 5 DGBDMO CN(c1ccc([N+](=O)[O-])cc1)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000774536240 623158388 /nfs/dbraw/zinc/15/83/88/623158388.db2.gz LDLUWYRPRVJPMS-SFHVURJKSA-N 1 1 311.385 3.306 20 5 DGBDMO C[C@@H]1[C@@H](C)CC[N@H+]1Cn1ncc2cc([N+](=O)[O-])cc(Cl)c21 ZINC000774637190 623168882 /nfs/dbraw/zinc/16/88/82/623168882.db2.gz MVOLMZUNUFYBLS-VHSXEESVSA-N 1 1 308.769 3.286 20 5 DGBDMO C[C@H]1C[C@H](C)[N@@H+](Cn2ncc3cc([N+](=O)[O-])cc(Cl)c32)C1 ZINC000774639255 623169203 /nfs/dbraw/zinc/16/92/03/623169203.db2.gz UYHFMAYOFRIYOJ-UWVGGRQHSA-N 1 1 308.769 3.286 20 5 DGBDMO CCC[C@]1(CO)CCC[N@H+]1Cc1ccc([N+](=O)[O-])c(Cl)c1 ZINC000775176940 623238817 /nfs/dbraw/zinc/23/88/17/623238817.db2.gz NRXZAMBNQHOLDI-OAHLLOKOSA-N 1 1 312.797 3.375 20 5 DGBDMO COc1ccc([N+](=O)[O-])cc1C[NH2+][C@@H](c1ccccn1)C(C)C ZINC000775447067 623275944 /nfs/dbraw/zinc/27/59/44/623275944.db2.gz WDZJFCANAWUODB-QGZVFWFLSA-N 1 1 315.373 3.485 20 5 DGBDMO Cc1ccccc1C[N@@H+](C)C[C@H](O)c1ccc([N+](=O)[O-])cc1 ZINC000776272789 623405153 /nfs/dbraw/zinc/40/51/53/623405153.db2.gz WNIPLQCWWGDDJH-KRWDZBQOSA-N 1 1 300.358 3.069 20 5 DGBDMO CC(C)C[C@@H]1CCC[N@@H+](C[C@@H](O)c2ccc([N+](=O)[O-])cc2)C1 ZINC000776278458 623405925 /nfs/dbraw/zinc/40/59/25/623405925.db2.gz SYGUKXUQQPKREA-WMLDXEAASA-N 1 1 306.406 3.386 20 5 DGBDMO C[C@@H]1C[N@@H+](C[C@@H](O)c2ccc([N+](=O)[O-])cc2)[C@H]1c1ccccc1 ZINC000776591240 623445054 /nfs/dbraw/zinc/44/50/54/623445054.db2.gz HZCDDFHBMDEETR-FSPWUOQZSA-N 1 1 312.369 3.321 20 5 DGBDMO O=[N+]([O-])c1ccc([C@@H](O)C[N@H+]2CC[C@@H]2c2cccc(F)c2)cc1 ZINC000776590742 623445372 /nfs/dbraw/zinc/44/53/72/623445372.db2.gz FWENHYWPZFONFB-SJORKVTESA-N 1 1 316.332 3.214 20 5 DGBDMO Cc1ccc([N+](=O)[O-])c(C)c1C[N@H+]1CCC[C@@H](c2ncc[nH]2)C1 ZINC000876620374 623661948 /nfs/dbraw/zinc/66/19/48/623661948.db2.gz MWKNGTZSMYBMQU-CQSZACIVSA-N 1 1 314.389 3.314 20 5 DGBDMO Cc1ccc([N+](=O)[O-])c(C)c1C[N@H+]1CCC[C@H](n2ccnc2)C1 ZINC000876680954 623680246 /nfs/dbraw/zinc/68/02/46/623680246.db2.gz KDCXGPBCAXLYKN-HNNXBMFYSA-N 1 1 314.389 3.245 20 5 DGBDMO CC[N@@H+]1CCCC[C@@H]1C(=O)O[C@H](C)c1cc([N+](=O)[O-])ccc1C ZINC000778808843 623698801 /nfs/dbraw/zinc/69/88/01/623698801.db2.gz UQUYVMGOXWYFIL-CZUORRHYSA-N 1 1 320.389 3.382 20 5 DGBDMO CC[N@H+]1CCCC[C@@H]1C(=O)O[C@H](C)c1cc([N+](=O)[O-])ccc1C ZINC000778808843 623698804 /nfs/dbraw/zinc/69/88/04/623698804.db2.gz UQUYVMGOXWYFIL-CZUORRHYSA-N 1 1 320.389 3.382 20 5 DGBDMO CC(C)[C@@H]1CCC[N@@H+](Cn2ncc3ccc([N+](=O)[O-])cc32)C1 ZINC000780499351 623940469 /nfs/dbraw/zinc/94/04/69/623940469.db2.gz SIGXGKRORVQKRY-CQSZACIVSA-N 1 1 302.378 3.270 20 5 DGBDMO C/C(=C/c1cccc([N+](=O)[O-])c1)CN1CC[N@H+](C)C(C)(C)CC1 ZINC000877701697 623997829 /nfs/dbraw/zinc/99/78/29/623997829.db2.gz VASUHUVIQVBUNR-QINSGFPZSA-N 1 1 317.433 3.414 20 5 DGBDMO C[C@H]1C[N@H+](Cc2cccc([N+](=O)[O-])c2)CC[C@H](C(F)(F)F)O1 ZINC000877823601 624056217 /nfs/dbraw/zinc/05/62/17/624056217.db2.gz MRLAYGCYKZVNQP-GXFFZTMASA-N 1 1 318.295 3.137 20 5 DGBDMO C[C@H]1C[N@@H+](Cc2cccc([N+](=O)[O-])c2)CC[C@H](C(F)(F)F)O1 ZINC000877823601 624056221 /nfs/dbraw/zinc/05/62/21/624056221.db2.gz MRLAYGCYKZVNQP-GXFFZTMASA-N 1 1 318.295 3.137 20 5 DGBDMO CC[C@@H]1[C@H](C)CC[N@H+]1Cc1nnc(-c2ccccc2[N+](=O)[O-])o1 ZINC000878453332 624281539 /nfs/dbraw/zinc/28/15/39/624281539.db2.gz RTPKSECIVOQMCB-DGCLKSJQSA-N 1 1 316.361 3.265 20 5 DGBDMO C[N@@H+](CCc1cccc([N+](=O)[O-])c1)C[C@@H]1CCC2(CCC2)O1 ZINC000878566368 624309738 /nfs/dbraw/zinc/30/97/38/624309738.db2.gz ZOIAPVMDEYUUGA-INIZCTEOSA-N 1 1 304.390 3.171 20 5 DGBDMO C[N@@H+](CCc1ccccc1[N+](=O)[O-])C[C@@H]1C[C@H]2CCC[C@H]2O1 ZINC000878598314 624318403 /nfs/dbraw/zinc/31/84/03/624318403.db2.gz CHMKOSDZACUXSU-HLLBOEOZSA-N 1 1 304.390 3.027 20 5 DGBDMO C[C@H]1CC(C)(C)C[N@H+]1Cc1nnc(-c2ccccc2[N+](=O)[O-])o1 ZINC000878710161 624345088 /nfs/dbraw/zinc/34/50/88/624345088.db2.gz AEWOLGHUHTXZDB-NSHDSACASA-N 1 1 316.361 3.265 20 5 DGBDMO O=[N+]([O-])c1ccc(C[N@H+]2CCC[C@H](c3ncc[nH]3)C2)cc1Cl ZINC000783535173 624363593 /nfs/dbraw/zinc/36/35/93/624363593.db2.gz NLBIXVIRPOXLJA-LBPRGKRZSA-N 1 1 320.780 3.351 20 5 DGBDMO CC(C)[C@H]1C[N@@H+](C)CCN1Cc1ccc([N+](=O)[O-])c(Cl)c1 ZINC000783663648 624380949 /nfs/dbraw/zinc/38/09/49/624380949.db2.gz BZDLPCVPDIGJOU-OAHLLOKOSA-N 1 1 311.813 3.020 20 5 DGBDMO O=[N+]([O-])c1ccc(C[NH2+][C@H](CCO)c2ccco2)cc1Cl ZINC000783677114 624382522 /nfs/dbraw/zinc/38/25/22/624382522.db2.gz TYZPGNQYXYGVJS-GFCCVEGCSA-N 1 1 310.737 3.055 20 5 DGBDMO Cc1nn(C[N@H+]2CC[C@H](c3ccc(C)cc3)C2)c(C)c1[N+](=O)[O-] ZINC000784022869 624423668 /nfs/dbraw/zinc/42/36/68/624423668.db2.gz CRRLNGUXJUOQIR-INIZCTEOSA-N 1 1 314.389 3.164 20 5 DGBDMO O=[N+]([O-])c1cc(C[N@@H+]2CCC[C@H]2[C@H](O)c2ccccc2)cs1 ZINC000879241791 624458126 /nfs/dbraw/zinc/45/81/26/624458126.db2.gz NTAXYSRWTFUOFO-GOEBONIOSA-N 1 1 318.398 3.354 20 5 DGBDMO O=[N+]([O-])c1cc(C[N@@H+]2CCC[C@@H]2[C@@H](O)c2ccccc2)cs1 ZINC000879241796 624458573 /nfs/dbraw/zinc/45/85/73/624458573.db2.gz NTAXYSRWTFUOFO-ZBFHGGJFSA-N 1 1 318.398 3.354 20 5 DGBDMO O=[N+]([O-])c1cc(F)c(C[N@@H+]2CC[C@@H]3CSC[C@H]3C2)c(F)c1 ZINC000879566362 624592617 /nfs/dbraw/zinc/59/26/17/624592617.db2.gz UOAHAKFZBVWFBK-NXEZZACHSA-N 1 1 314.357 3.058 20 5 DGBDMO O=[N+]([O-])c1cc(F)c(C[N@H+]2CC[C@@H]3CSC[C@H]3C2)c(F)c1 ZINC000879566362 624592619 /nfs/dbraw/zinc/59/26/19/624592619.db2.gz UOAHAKFZBVWFBK-NXEZZACHSA-N 1 1 314.357 3.058 20 5 DGBDMO C[C@H](OC(=O)C[N@H+]1[C@H](C)CC[C@@H]1C)c1cccc([N+](=O)[O-])c1 ZINC000785745405 624722723 /nfs/dbraw/zinc/72/27/23/624722723.db2.gz SXMXIIPBBFMMEB-XQQFMLRXSA-N 1 1 306.362 3.072 20 5 DGBDMO C[C@H](OC(=O)C[N@@H+]1[C@H](C)CC[C@@H]1C)c1cccc([N+](=O)[O-])c1 ZINC000785745405 624722729 /nfs/dbraw/zinc/72/27/29/624722729.db2.gz SXMXIIPBBFMMEB-XQQFMLRXSA-N 1 1 306.362 3.072 20 5 DGBDMO COC(=O)[C@]12CCC[C@H]1[N@H+]([C@@H](C)c1cccc([N+](=O)[O-])c1)CC2 ZINC000880179782 624822588 /nfs/dbraw/zinc/82/25/88/624822588.db2.gz PUVPHMCWTRZVFD-MJEQTWJJSA-N 1 1 318.373 3.073 20 5 DGBDMO CO[C@]1(C(F)(F)F)CC[N@H+](Cc2ccc(C)c([N+](=O)[O-])c2)C1 ZINC000880310033 624908581 /nfs/dbraw/zinc/90/85/81/624908581.db2.gz VZGUDVWGYWUVRX-CYBMUJFWSA-N 1 1 318.295 3.056 20 5 DGBDMO CO[C@]1(C(F)(F)F)CC[N@@H+](Cc2ccc(C)c([N+](=O)[O-])c2)C1 ZINC000880310033 624908584 /nfs/dbraw/zinc/90/85/84/624908584.db2.gz VZGUDVWGYWUVRX-CYBMUJFWSA-N 1 1 318.295 3.056 20 5 DGBDMO C[C@H]1c2sccc2CC[N@@H+]1C[C@@H](O)c1ccc([N+](=O)[O-])cc1 ZINC000880377074 624943016 /nfs/dbraw/zinc/94/30/16/624943016.db2.gz NCKOTICJXLEKTN-XHDPSFHLSA-N 1 1 318.398 3.309 20 5 DGBDMO C/C(=C\c1cccc([N+](=O)[O-])c1)CNCC[N@H+]1CCC[C@H]1C ZINC000786818463 624956038 /nfs/dbraw/zinc/95/60/38/624956038.db2.gz YSFUMAXFDSFREA-ATGUSINASA-N 1 1 303.406 3.072 20 5 DGBDMO C/C(=C\c1cccc([N+](=O)[O-])c1)CNCC[N@@H+]1CCC[C@H]1C ZINC000786818463 624956041 /nfs/dbraw/zinc/95/60/41/624956041.db2.gz YSFUMAXFDSFREA-ATGUSINASA-N 1 1 303.406 3.072 20 5 DGBDMO Cc1ncc([N+](=O)[O-])n1CC[N@H+]1C[C@@H]2CC[C@H]1c1ccccc12 ZINC000880538321 624974203 /nfs/dbraw/zinc/97/42/03/624974203.db2.gz MVFKOAHBYUHBQM-BBRMVZONSA-N 1 1 312.373 3.034 20 5 DGBDMO C[C@@H](CO)[N@@H+](Cc1ccc(Cl)c([N+](=O)[O-])c1)C1CCCC1 ZINC000788466172 625184964 /nfs/dbraw/zinc/18/49/64/625184964.db2.gz FTFBVWJKGJKZLM-NSHDSACASA-N 1 1 312.797 3.374 20 5 DGBDMO C[C@@H](NCC[N@H+]1[C@H](C)CCC[C@@H]1C)c1ccc(N)c([N+](=O)[O-])c1 ZINC000788596666 625223838 /nfs/dbraw/zinc/22/38/38/625223838.db2.gz ZSAMHVVALKPASF-HZSPNIEDSA-N 1 1 320.437 3.091 20 5 DGBDMO C[C@@H](NCC[N@@H+]1[C@H](C)CCC[C@@H]1C)c1ccc(N)c([N+](=O)[O-])c1 ZINC000788596666 625223846 /nfs/dbraw/zinc/22/38/46/625223846.db2.gz ZSAMHVVALKPASF-HZSPNIEDSA-N 1 1 320.437 3.091 20 5 DGBDMO C[C@H](NCC[NH+]1[C@H](C)CCC[C@H]1C)c1ccc(N)c([N+](=O)[O-])c1 ZINC000788596668 625224164 /nfs/dbraw/zinc/22/41/64/625224164.db2.gz ZSAMHVVALKPASF-MCIONIFRSA-N 1 1 320.437 3.091 20 5 DGBDMO CCC[N@H+]1CCC[C@H]1CNCc1cc(Cl)ccc1[N+](=O)[O-] ZINC000796524085 626058844 /nfs/dbraw/zinc/05/88/44/626058844.db2.gz XUDKGDYQQZLZJY-AWEZNQCLSA-N 1 1 311.813 3.212 20 5 DGBDMO CCCN1CCC[C@H]1C[NH2+]Cc1cc(Cl)ccc1[N+](=O)[O-] ZINC000796524085 626058845 /nfs/dbraw/zinc/05/88/45/626058845.db2.gz XUDKGDYQQZLZJY-AWEZNQCLSA-N 1 1 311.813 3.212 20 5 DGBDMO O=[N+]([O-])c1ccccc1/C=C/C[N@H+]1CC[C@H](c2ccccn2)C1 ZINC000798962950 626264110 /nfs/dbraw/zinc/26/41/10/626264110.db2.gz UBEZGRZDRZEWQQ-YERXGYGTSA-N 1 1 309.369 3.493 20 5 DGBDMO O=[N+]([O-])c1cccc(F)c1C[N@H+]1CC[C@@H](c2ccccn2)C1 ZINC000799190116 626279260 /nfs/dbraw/zinc/27/92/60/626279260.db2.gz KKGAJYVEUGYRBN-GFCCVEGCSA-N 1 1 301.321 3.118 20 5 DGBDMO O=[N+]([O-])c1ccc(C[NH+]2CC(C3CCOCC3)C2)cc1Cl ZINC000800530661 626366626 /nfs/dbraw/zinc/36/66/26/626366626.db2.gz SNRDGTZWJZGMNF-UHFFFAOYSA-N 1 1 310.781 3.107 20 5 DGBDMO CCCC[N@H+]1CCCC[C@H]1CNc1cc(N)ccc1[N+](=O)[O-] ZINC000800847714 626379204 /nfs/dbraw/zinc/37/92/04/626379204.db2.gz HYGLZGIZIPJRJM-AWEZNQCLSA-N 1 1 306.410 3.244 20 5 DGBDMO C[N@@H+](CCc1cccc([N+](=O)[O-])c1)Cc1ccc([N+](=O)[O-])cc1 ZINC000801600825 626411870 /nfs/dbraw/zinc/41/18/70/626411870.db2.gz UITBXPWHJVBZHH-UHFFFAOYSA-N 1 1 315.329 3.178 20 5 DGBDMO C[N@H+]1CCCC[C@@H]1CCC(=O)OCc1ccc([N+](=O)[O-])cc1F ZINC000803854569 626644689 /nfs/dbraw/zinc/64/46/89/626644689.db2.gz UHDPZJMYQNEMIT-CYBMUJFWSA-N 1 1 324.352 3.042 20 5 DGBDMO C[C@H](OC(=O)CC[C@@H]1CCCC[N@H+]1C)c1ccccc1[N+](=O)[O-] ZINC000803854846 626644729 /nfs/dbraw/zinc/64/47/29/626644729.db2.gz BITLOWCSQNNXIY-KBPBESRZSA-N 1 1 320.389 3.464 20 5 DGBDMO CC(=O)c1cc([N+](=O)[O-])ccc1N(C)CC[C@@H]1CCCC[N@H+]1C ZINC000804506857 626688509 /nfs/dbraw/zinc/68/85/09/626688509.db2.gz QASFZAJJHIPOGP-AWEZNQCLSA-N 1 1 319.405 3.108 20 5 DGBDMO C[N@@H+](Cn1cc([N+](=O)[O-])cn1)[C@@H]1CCCC[C@@H]1c1ccccc1 ZINC000840181960 626922703 /nfs/dbraw/zinc/92/27/03/626922703.db2.gz MUYFTWWODQDDMO-IAGOWNOFSA-N 1 1 314.389 3.407 20 5 DGBDMO C[N@H+]1CC[C@@H]2[C@@H](CCCN2Cc2ccc([N+](=O)[O-])c(Cl)c2)C1 ZINC000809767510 626949630 /nfs/dbraw/zinc/94/96/30/626949630.db2.gz NDUYGPDBLGRYNB-DZGCQCFKSA-N 1 1 323.824 3.164 20 5 DGBDMO CC(C)C[C@@H](CO)[N@@H+](C)Cc1ccc([N+](=O)[O-])c(Cl)c1 ZINC000809768003 626950366 /nfs/dbraw/zinc/95/03/66/626950366.db2.gz ZVVTVEYJKBAFEP-LBPRGKRZSA-N 1 1 300.786 3.087 20 5 DGBDMO CCC[C@@]1(CO)CC[N@@H+](Cc2ccc([N+](=O)[O-])c(Cl)c2)C1 ZINC000809790145 626953898 /nfs/dbraw/zinc/95/38/98/626953898.db2.gz AOLNLJGEQFFRPI-OAHLLOKOSA-N 1 1 312.797 3.233 20 5 DGBDMO Cc1c(OC(=O)[C@]2(F)CC[N@H+](C(C)(C)C)C2)cccc1[N+](=O)[O-] ZINC000810534712 627012863 /nfs/dbraw/zinc/01/28/63/627012863.db2.gz BHZKNFVMGAVHIA-INIZCTEOSA-N 1 1 324.352 3.021 20 5 DGBDMO CC(C)[N@H+](Cc1ccc([N+](=O)[O-])cc1)C[C@H]1C[C@@]12CCOC2 ZINC000885965904 627072244 /nfs/dbraw/zinc/07/22/44/627072244.db2.gz YAXLLUKKQSHDKT-NVXWUHKLSA-N 1 1 304.390 3.232 20 5 DGBDMO O=[N+]([O-])c1ncccc1C[N@@H+]1CCS[C@@H](c2ccccc2)C1 ZINC000886015119 627084052 /nfs/dbraw/zinc/08/40/52/627084052.db2.gz VVGVHVCBKVWWCC-OAHLLOKOSA-N 1 1 315.398 3.280 20 5 DGBDMO O=[N+]([O-])c1ncccc1C[N@H+]1CCS[C@@H](c2ccccc2)C1 ZINC000886015119 627084055 /nfs/dbraw/zinc/08/40/55/627084055.db2.gz VVGVHVCBKVWWCC-OAHLLOKOSA-N 1 1 315.398 3.280 20 5 DGBDMO CC(C)C[C@H]1CCC[N@@H+](C[C@H](O)c2cccc([N+](=O)[O-])c2)C1 ZINC000137072761 627105166 /nfs/dbraw/zinc/10/51/66/627105166.db2.gz RIBKHASDUDZQGX-PBHICJAKSA-N 1 1 306.406 3.386 20 5 DGBDMO C[C@@H]([NH2+]Cc1cccnc1[N+](=O)[O-])c1ccccc1OC(F)F ZINC000886106674 627106317 /nfs/dbraw/zinc/10/63/17/627106317.db2.gz AFGBJZFJLRIKTQ-SNVBAGLBSA-N 1 1 323.299 3.442 20 5 DGBDMO Cc1ncc([N+](=O)[O-])n1CC[N@@H+]1CC[C@@H](C)[C@H]1c1ccccc1 ZINC000886540162 627159400 /nfs/dbraw/zinc/15/94/00/627159400.db2.gz ABUIPLUSLQMOEF-DYVFJYSZSA-N 1 1 314.389 3.183 20 5 DGBDMO Cc1c(C[N@H+]2CCC[C@@H](c3ncccn3)C2)cccc1[N+](=O)[O-] ZINC000886679479 627188640 /nfs/dbraw/zinc/18/86/40/627188640.db2.gz XWILTOINSCSIMG-OAHLLOKOSA-N 1 1 312.373 3.073 20 5 DGBDMO O=[N+]([O-])c1cc(C[N@H+]2CC[C@@H]([C@H]3CCCO3)C2)ccc1Cl ZINC000886822581 627208892 /nfs/dbraw/zinc/20/88/92/627208892.db2.gz RVXRTQFUDYZEOL-IUODEOHRSA-N 1 1 310.781 3.249 20 5 DGBDMO O=[N+]([O-])c1ccc(Cl)cc1C[N@H+]1CC[C@@H]([C@@H]2CCCO2)C1 ZINC000886830681 627209858 /nfs/dbraw/zinc/20/98/58/627209858.db2.gz WBSWWPXOEMLYPQ-ABAIWWIYSA-N 1 1 310.781 3.249 20 5 DGBDMO CCC[N@@H+](CC)C[C@@H](C)Nc1ccc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000811868924 627331756 /nfs/dbraw/zinc/33/17/56/627331756.db2.gz ZMYZJAIGDHAUEQ-LLVKDONJSA-N 1 1 310.354 3.035 20 5 DGBDMO Cc1cc(N2CC[C@]3(CC[N@H+](C)C3)C2)c(Cl)cc1[N+](=O)[O-] ZINC000813636363 627505276 /nfs/dbraw/zinc/50/52/76/627505276.db2.gz WQUTYQCINNBUQF-HNNXBMFYSA-N 1 1 309.797 3.089 20 5 DGBDMO Cc1ccc(CN[C@@H]2CC[NH2+]C[C@@H]2C2CCCC2)cc1[N+](=O)[O-] ZINC000925733720 627784345 /nfs/dbraw/zinc/78/43/45/627784345.db2.gz LULIQTVBUBFVKE-IAGOWNOFSA-N 1 1 317.433 3.161 20 5 DGBDMO O=[N+]([O-])c1cc(C[N@H+]2CC[C@@H](O)CC23CCC3)ccc1Cl ZINC000817292750 627878993 /nfs/dbraw/zinc/87/89/93/627878993.db2.gz WCUMFJFQHJFZNC-GFCCVEGCSA-N 1 1 310.781 3.128 20 5 DGBDMO O=[N+]([O-])c1cc(C[N@@H+]2CC[C@@H](O)CC23CCC3)ccc1Cl ZINC000817292750 627878995 /nfs/dbraw/zinc/87/89/95/627878995.db2.gz WCUMFJFQHJFZNC-GFCCVEGCSA-N 1 1 310.781 3.128 20 5 DGBDMO C[C@@H]1[C@H](NC(=O)c2cc3ccccc3c3cccnc23)CC[N@H+]1C ZINC000928458159 628152759 /nfs/dbraw/zinc/15/27/59/628152759.db2.gz RMPJJCIJLVTICW-FZKQIMNGSA-N 1 1 319.408 3.210 20 5 DGBDMO O=[N+]([O-])c1ccc(F)cc1C[N@H+]1CC[C@H](c2ccncc2)C1 ZINC000821272761 628352188 /nfs/dbraw/zinc/35/21/88/628352188.db2.gz XXBCSDABOJGARE-ZDUSSCGKSA-N 1 1 301.321 3.118 20 5 DGBDMO Cn1nc(C2CC2)cc1C[NH2+]Cc1ccc([N+](=O)[O-])cc1Cl ZINC000824181182 628635184 /nfs/dbraw/zinc/63/51/84/628635184.db2.gz NXTASVGPKXHUNQ-UHFFFAOYSA-N 1 1 320.780 3.149 20 5 DGBDMO C[C@@H]1CN(Cc2ccc([N+](=O)[O-])c(Cl)c2)CC[N@H+](C2CC2)C1 ZINC000824445547 628661491 /nfs/dbraw/zinc/66/14/91/628661491.db2.gz DYFIVCDNTRXMGH-GFCCVEGCSA-N 1 1 323.824 3.164 20 5 DGBDMO C[N@H+](Cc1cc(Cl)cc(Cl)c1[N+](=O)[O-])CC(C)(C)CO ZINC000824635890 628679017 /nfs/dbraw/zinc/67/90/17/628679017.db2.gz KEBUTKLMPPXBCV-UHFFFAOYSA-N 1 1 321.204 3.352 20 5 DGBDMO C[N@@H+](Cc1cc(Cl)cc(Cl)c1[N+](=O)[O-])CC(C)(C)CO ZINC000824635890 628679021 /nfs/dbraw/zinc/67/90/21/628679021.db2.gz KEBUTKLMPPXBCV-UHFFFAOYSA-N 1 1 321.204 3.352 20 5 DGBDMO CCC[N@@H+](C)CC(C)(C)NCc1ccc([N+](=O)[O-])c(Cl)c1 ZINC000827722622 628986068 /nfs/dbraw/zinc/98/60/68/628986068.db2.gz OZXVRVCNFBGHKM-UHFFFAOYSA-N 1 1 313.829 3.458 20 5 DGBDMO CCCN(C)CC(C)(C)[NH2+]Cc1ccc([N+](=O)[O-])c(Cl)c1 ZINC000827722622 628986069 /nfs/dbraw/zinc/98/60/69/628986069.db2.gz OZXVRVCNFBGHKM-UHFFFAOYSA-N 1 1 313.829 3.458 20 5 DGBDMO O=[N+]([O-])c1ccc(C[N@H+]2CCC[C@@H]2[C@@H]2CCCOC2)cc1F ZINC000828906264 629107879 /nfs/dbraw/zinc/10/78/79/629107879.db2.gz VSHDBUJCLMCNHB-UKRRQHHQSA-N 1 1 308.353 3.125 20 5 DGBDMO O=[N+]([O-])c1ccc(C[NH2+][C@H](CCO)c2ccccc2F)cc1F ZINC000830355317 629257830 /nfs/dbraw/zinc/25/78/30/629257830.db2.gz GJLAHDYEUVUGKP-OAHLLOKOSA-N 1 1 322.311 3.086 20 5 DGBDMO C[C@@H]1CC2(C[N@H+]1Cc1cc(F)ccc1[N+](=O)[O-])CCOCC2 ZINC000830623028 629288662 /nfs/dbraw/zinc/28/86/62/629288662.db2.gz WGMDCGVBPWFIQD-GFCCVEGCSA-N 1 1 308.353 3.125 20 5 DGBDMO C[N@@H+](Cc1cc(Cl)ccc1[N+](=O)[O-])[C@H](CO)CC(C)(C)C ZINC000832094300 629441786 /nfs/dbraw/zinc/44/17/86/629441786.db2.gz PDGZDRRAKKBGNX-ZDUSSCGKSA-N 1 1 314.813 3.477 20 5 DGBDMO CCCCCC[N@@H+](C)CC(=O)N[C@@H](C)c1ccc([N+](=O)[O-])cc1 ZINC000833029296 629549942 /nfs/dbraw/zinc/54/99/42/629549942.db2.gz FDASOPHFGAVJAU-AWEZNQCLSA-N 1 1 321.421 3.284 20 5 DGBDMO CC(C)[C@@H]1C[N@@H+](C[C@@H](O)c2ccc([N+](=O)[O-])cc2)[C@H]1C(C)C ZINC000834387275 629703023 /nfs/dbraw/zinc/70/30/23/629703023.db2.gz FEBWZOCZSIQSKE-BBWFWOEESA-N 1 1 306.406 3.241 20 5 DGBDMO C[N@@H+](CCC(C)(C)C)Cn1cnc(-c2cccc([N+](=O)[O-])c2)n1 ZINC000842631450 630556340 /nfs/dbraw/zinc/55/63/40/630556340.db2.gz NWKYYUMVDVSHQZ-UHFFFAOYSA-N 1 1 317.393 3.179 20 5 DGBDMO O=[N+]([O-])c1ccc(CN2CCC([C@H]3CC[NH2+]C3)CC2)cc1Cl ZINC000843126591 630616378 /nfs/dbraw/zinc/61/63/78/630616378.db2.gz LAINRBZDJUCDIR-AWEZNQCLSA-N 1 1 323.824 3.070 20 5 DGBDMO O=[N+]([O-])c1ccc(Cl)c(CN2CCC([C@@H]3CC[NH2+]C3)CC2)c1 ZINC000843127853 630616922 /nfs/dbraw/zinc/61/69/22/630616922.db2.gz UCHUIALQENCLPP-CYBMUJFWSA-N 1 1 323.824 3.070 20 5 DGBDMO O=[N+]([O-])c1ccc(F)cc1C[N@@H+]1CCC[C@@]2(CC2(F)F)C1 ZINC000844437391 630729417 /nfs/dbraw/zinc/72/94/17/630729417.db2.gz KJSKDXBYJZBHOE-CYBMUJFWSA-N 1 1 300.280 3.355 20 5 DGBDMO O=[N+]([O-])c1ccc(F)cc1C[N@H+]1CCC[C@@]2(CC2(F)F)C1 ZINC000844437391 630729418 /nfs/dbraw/zinc/72/94/18/630729418.db2.gz KJSKDXBYJZBHOE-CYBMUJFWSA-N 1 1 300.280 3.355 20 5 DGBDMO O=[N+]([O-])c1ccc2[nH]c(C[N@@H+]3CCC[C@@]4(CC4(F)F)C3)nc2c1 ZINC000844441689 630730505 /nfs/dbraw/zinc/73/05/05/630730505.db2.gz QXIUNSKYWUJWIL-CQSZACIVSA-N 1 1 322.315 3.092 20 5 DGBDMO O=[N+]([O-])c1ccc2[nH]c(C[N@H+]3CCC[C@@]4(CC4(F)F)C3)nc2c1 ZINC000844441689 630730506 /nfs/dbraw/zinc/73/05/06/630730506.db2.gz QXIUNSKYWUJWIL-CQSZACIVSA-N 1 1 322.315 3.092 20 5 DGBDMO O=[N+]([O-])c1ccc(Cl)c(C[N@@H+]2CC[C@@]3(CC3(F)F)C2)c1 ZINC000844469735 630733083 /nfs/dbraw/zinc/73/30/83/630733083.db2.gz DSDSDPDARFIXDH-GFCCVEGCSA-N 1 1 302.708 3.479 20 5 DGBDMO O=[N+]([O-])c1ccc(Cl)c(C[N@H+]2CC[C@@]3(CC3(F)F)C2)c1 ZINC000844469735 630733084 /nfs/dbraw/zinc/73/30/84/630733084.db2.gz DSDSDPDARFIXDH-GFCCVEGCSA-N 1 1 302.708 3.479 20 5 DGBDMO CC1=C(C)C[N@@H+](Cn2cc(-c3ccccc3[N+](=O)[O-])cn2)CC1 ZINC000848487058 631668758 /nfs/dbraw/zinc/66/87/58/631668758.db2.gz NLEJFEJYLLVJEB-UHFFFAOYSA-N 1 1 312.373 3.458 20 5 DGBDMO O=[N+]([O-])c1ccc(Cl)c(C[NH2+]Cc2ccnn2CC2CC2)c1 ZINC000850183975 632074965 /nfs/dbraw/zinc/07/49/65/632074965.db2.gz JNQQZDKXHQZQKJ-UHFFFAOYSA-N 1 1 320.780 3.145 20 5 DGBDMO C[C@@H]1CCCC[N@@H+]1CC(=O)Nc1ccc(Cl)c([N+](=O)[O-])c1 ZINC000009998313 660485289 /nfs/dbraw/zinc/48/52/89/660485289.db2.gz UJFRIHRIYHPDPB-SNVBAGLBSA-N 1 1 311.769 3.061 20 5 DGBDMO C[C@@H]1CCCC[N@H+]1CC(=O)Nc1ccc(Cl)c([N+](=O)[O-])c1 ZINC000009998313 660485290 /nfs/dbraw/zinc/48/52/90/660485290.db2.gz UJFRIHRIYHPDPB-SNVBAGLBSA-N 1 1 311.769 3.061 20 5 DGBDMO O=[N+]([O-])c1cc(C[N@@H+]2CC[C@@H](CF)C2)ccc1Br ZINC000711477890 660953962 /nfs/dbraw/zinc/95/39/62/660953962.db2.gz SIFAJLCIHLXMKK-JTQLQIEISA-N 1 1 317.158 3.149 20 5 DGBDMO O=[N+]([O-])c1cc(C[N@H+]2CC[C@@H](CF)C2)ccc1Br ZINC000711477890 660953965 /nfs/dbraw/zinc/95/39/65/660953965.db2.gz SIFAJLCIHLXMKK-JTQLQIEISA-N 1 1 317.158 3.149 20 5 DGBDMO C[C@@H]1C[C@H](C)[C@@H](C)[N@@H+](Cc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])C1 ZINC000792879389 660991095 /nfs/dbraw/zinc/99/10/95/660991095.db2.gz HIPADURREWJINJ-GRYCIOLGSA-N 1 1 307.350 3.369 20 5 DGBDMO O=[N+]([O-])c1cc(C[N@@H+]2CCOC[C@H](C3CCC3)C2)ccc1Cl ZINC000795285393 661138371 /nfs/dbraw/zinc/13/83/71/661138371.db2.gz CEQRZFUBHJJEFY-CQSZACIVSA-N 1 1 324.808 3.497 20 5 DGBDMO O=[N+]([O-])c1cc(C[N@H+]2CCOC[C@H](C3CCC3)C2)ccc1Cl ZINC000795285393 661138374 /nfs/dbraw/zinc/13/83/74/661138374.db2.gz CEQRZFUBHJJEFY-CQSZACIVSA-N 1 1 324.808 3.497 20 5 DGBDMO C[C@H]1CC[C@H](c2ccccc2)[N@H+](Cn2nccc2[N+](=O)[O-])C1 ZINC000795706885 661169109 /nfs/dbraw/zinc/16/91/09/661169109.db2.gz UNSLVDWFSQLMTD-DZGCQCFKSA-N 1 1 300.362 3.222 20 5 DGBDMO C[C@H]1CC[C@H](c2ccccc2)[N@@H+](Cn2nccc2[N+](=O)[O-])C1 ZINC000795706885 661169111 /nfs/dbraw/zinc/16/91/11/661169111.db2.gz UNSLVDWFSQLMTD-DZGCQCFKSA-N 1 1 300.362 3.222 20 5 DGBDMO O=[N+]([O-])c1cccc(F)c1C[N@H+]1CCCSC[C@@H]1C1CC1 ZINC000933916107 655738342 /nfs/dbraw/zinc/73/83/42/655738342.db2.gz OMNLQOFBGSVORH-OAHLLOKOSA-N 1 1 310.394 3.451 20 5 DGBDMO O=[N+]([O-])c1ccc2c(cnn2C[N@@H+]2C[C@@H]3CCCC[C@@H]3C2)c1 ZINC000176202797 655744886 /nfs/dbraw/zinc/74/48/86/655744886.db2.gz BEASSNRDVHMLMS-BETUJISGSA-N 1 1 300.362 3.024 20 5 DGBDMO Cc1cn(Cc2cccc([N+](=O)[O-])c2Br)c(C)[nH+]1 ZINC000715123266 661208811 /nfs/dbraw/zinc/20/88/11/661208811.db2.gz WVHOFKZBRMYBQD-UHFFFAOYSA-N 1 1 310.151 3.219 20 5 DGBDMO Cc1nn(C[N@H+]2CCC[C@H]2C2CCCCC2)c(C)c1[N+](=O)[O-] ZINC000054549812 658488172 /nfs/dbraw/zinc/48/81/72/658488172.db2.gz PHYYRBAYPJHABP-HNNXBMFYSA-N 1 1 306.410 3.410 20 5 DGBDMO Cc1nn(C[N@@H+]2C[C@H](c3ccccc3)C[C@H]2C)c(C)c1[N+](=O)[O-] ZINC000246669024 658854173 /nfs/dbraw/zinc/85/41/73/658854173.db2.gz BCUWTYPGKNETJA-MLGOLLRUSA-N 1 1 314.389 3.244 20 5 DGBDMO C[C@@H](C(=O)Nc1ccc([N+](=O)[O-])cc1)[N@H+]1CCC2(CCCC2)C1 ZINC000173825179 659401385 /nfs/dbraw/zinc/40/13/85/659401385.db2.gz AEGPQWWJZMHCSP-ZDUSSCGKSA-N 1 1 317.389 3.188 20 5 DGBDMO Cc1nc(-c2ccccc2)sc1[C@H](C)[N@H+](C)CC[N+](=O)[O-] ZINC000929837333 659674051 /nfs/dbraw/zinc/67/40/51/659674051.db2.gz YUSMJQWVLGGQOP-LBPRGKRZSA-N 1 1 305.403 3.388 20 5 DGBDMO Cc1nc(-c2ccccc2)sc1[C@H](C)[N@@H+](C)CC[N+](=O)[O-] ZINC000929837333 659674052 /nfs/dbraw/zinc/67/40/52/659674052.db2.gz YUSMJQWVLGGQOP-LBPRGKRZSA-N 1 1 305.403 3.388 20 5 DGBDMO Cc1ccc([N+](=O)[O-])cc1[C@@H](C)[N@H+]1Cc2c[nH]nc2[C@H](C)C1 ZINC000931459918 661478950 /nfs/dbraw/zinc/47/89/50/661478950.db2.gz CLCFDGTWINGCOC-VXGBXAGGSA-N 1 1 300.362 3.307 20 5 DGBDMO Cc1ccc([N+](=O)[O-])cc1[C@@H](C)[N@@H+]1Cc2c[nH]nc2[C@H](C)C1 ZINC000931459918 661478951 /nfs/dbraw/zinc/47/89/51/661478951.db2.gz CLCFDGTWINGCOC-VXGBXAGGSA-N 1 1 300.362 3.307 20 5 DGBDMO Cc1ccc(C[N@@H+]2CCC[C@@H](c3ccn(C)n3)C2)cc1[N+](=O)[O-] ZINC000932133929 661540523 /nfs/dbraw/zinc/54/05/23/661540523.db2.gz XYWGBEIFPPFSHL-OAHLLOKOSA-N 1 1 314.389 3.016 20 5 DGBDMO Cn1cc(C[N@H+](Cc2cccc(F)c2)C2CCC2)c([N+](=O)[O-])n1 ZINC000932403532 661566343 /nfs/dbraw/zinc/56/63/43/661566343.db2.gz UYDBGZLSTOXHCK-UHFFFAOYSA-N 1 1 318.352 3.022 20 5 DGBDMO Cn1cc(C[N@@H+](Cc2cccc(F)c2)C2CCC2)c([N+](=O)[O-])n1 ZINC000932403532 661566345 /nfs/dbraw/zinc/56/63/45/661566345.db2.gz UYDBGZLSTOXHCK-UHFFFAOYSA-N 1 1 318.352 3.022 20 5 DGBDMO O=[N+]([O-])c1cc(C[N@H+]2CCC[C@@H](C3CCOCC3)C2)cs1 ZINC000933076073 661616125 /nfs/dbraw/zinc/61/61/25/661616125.db2.gz CTNYVVLVDOCYFH-CQSZACIVSA-N 1 1 310.419 3.295 20 5 DGBDMO O=[N+]([O-])c1ccc(C[N@@H+]2CC[C@@H](Cc3nccs3)C2)c(F)c1 ZINC000934331743 661698253 /nfs/dbraw/zinc/69/82/53/661698253.db2.gz DPFJEISMSAWUQB-NSHDSACASA-N 1 1 321.377 3.255 20 5 DGBDMO O=[N+]([O-])c1ccc(C[N@H+]2CC[C@@H](Cc3nccs3)C2)c(F)c1 ZINC000934331743 661698255 /nfs/dbraw/zinc/69/82/55/661698255.db2.gz DPFJEISMSAWUQB-NSHDSACASA-N 1 1 321.377 3.255 20 5 DGBDMO COc1ccc([C@H]2CCC[N@@H+]2Cc2cccc([N+](=O)[O-])c2)nc1 ZINC000934349257 661700820 /nfs/dbraw/zinc/70/08/20/661700820.db2.gz MAYKHDOEKGUIHN-QGZVFWFLSA-N 1 1 313.357 3.336 20 5 DGBDMO COc1ccc([C@H]2CCC[N@H+]2Cc2cccc([N+](=O)[O-])c2)nc1 ZINC000934349257 661700823 /nfs/dbraw/zinc/70/08/23/661700823.db2.gz MAYKHDOEKGUIHN-QGZVFWFLSA-N 1 1 313.357 3.336 20 5 DGBDMO CCOc1ccc(CC[N@@H+](C)Cc2cccnc2[N+](=O)[O-])cc1 ZINC000934720022 661729697 /nfs/dbraw/zinc/72/96/97/661729697.db2.gz URUUHJTZERKETQ-UHFFFAOYSA-N 1 1 315.373 3.063 20 5 DGBDMO C[C@H](C1CC1)[N@@H+](Cc1ccccc1)Cn1cc([N+](=O)[O-])cn1 ZINC000077435609 662025930 /nfs/dbraw/zinc/02/59/30/662025930.db2.gz GZUCARZXZBINEN-CYBMUJFWSA-N 1 1 300.362 3.050 20 5 DGBDMO C[C@H](C1CC1)[N@H+](Cc1ccccc1)Cn1cc([N+](=O)[O-])cn1 ZINC000077435609 662025931 /nfs/dbraw/zinc/02/59/31/662025931.db2.gz GZUCARZXZBINEN-CYBMUJFWSA-N 1 1 300.362 3.050 20 5 DGBDMO CCS[C@@H]1CC[C@@H]([N@@H+](C)C[C@@H](O)c2cccc([N+](=O)[O-])c2)C1 ZINC000246329518 662254298 /nfs/dbraw/zinc/25/42/98/662254298.db2.gz SOIMZBJMLPFLBQ-FVQBIDKESA-N 1 1 324.446 3.234 20 5 DGBDMO Cc1n[nH]c(C)c1[C@@H]1CCC[N@@H+]1Cc1cc(F)ccc1[N+](=O)[O-] ZINC000091081608 662292671 /nfs/dbraw/zinc/29/26/71/662292671.db2.gz VULYTQDJKXDEJK-HNNXBMFYSA-N 1 1 318.352 3.411 20 5 DGBDMO Cc1n[nH]c(C)c1[C@@H]1CCC[N@H+]1Cc1cc(F)ccc1[N+](=O)[O-] ZINC000091081608 662292674 /nfs/dbraw/zinc/29/26/74/662292674.db2.gz VULYTQDJKXDEJK-HNNXBMFYSA-N 1 1 318.352 3.411 20 5 DGBDMO CC(C)c1ccc(CN[C@@H]2C[N@@H+](C3CC3)C[C@H]2C)cc1[N+](=O)[O-] ZINC001620850904 1192454738 /nfs/dbraw/zinc/45/47/38/1192454738.db2.gz ROMKXBFTTMWCIE-CXAGYDPISA-N 1 1 317.433 3.291 20 5 DGBDMO CC(C)c1ccc(CN[C@@H]2C[N@H+](C3CC3)C[C@H]2C)cc1[N+](=O)[O-] ZINC001620850904 1192454741 /nfs/dbraw/zinc/45/47/41/1192454741.db2.gz ROMKXBFTTMWCIE-CXAGYDPISA-N 1 1 317.433 3.291 20 5 DGBDMO C/C(=C\c1cccc([N+](=O)[O-])c1)C[NH2+]Cc1ccc2cncn2c1 ZINC001620965182 1192682856 /nfs/dbraw/zinc/68/28/56/1192682856.db2.gz VGBUZODDDQWBOZ-VGOFMYFVSA-N 1 1 322.368 3.436 20 5 DGBDMO CS[C@@H]1CC[C@@H]([N@@H+](C)Cc2nc3cc([N+](=O)[O-])ccc3o2)C1 ZINC001332958146 1178529323 /nfs/dbraw/zinc/52/93/23/1178529323.db2.gz HFZPLPYTBDYHGQ-ZYHUDNBSSA-N 1 1 321.402 3.452 20 5 DGBDMO COc1cccc([C@H]2CCC[N@@H+]2Cc2cccnc2[N+](=O)[O-])c1 ZINC001350087159 1180012974 /nfs/dbraw/zinc/01/29/74/1180012974.db2.gz YUBMDDNRPPDUER-MRXNPFEDSA-N 1 1 313.357 3.336 20 5 DGBDMO COc1cccc([C@H]2CCC[N@H+]2Cc2cccnc2[N+](=O)[O-])c1 ZINC001350087159 1180012982 /nfs/dbraw/zinc/01/29/82/1180012982.db2.gz YUBMDDNRPPDUER-MRXNPFEDSA-N 1 1 313.357 3.336 20 5 DGBDMO C[C@@H](Nc1ccnc(F)c1[N+](=O)[O-])[C@H]1CCC[N@H+](C2CCC2)C1 ZINC001354158510 1180733165 /nfs/dbraw/zinc/73/31/65/1180733165.db2.gz ZKROEULNMZKWEB-NEPJUHHUSA-N 1 1 322.384 3.194 20 5 DGBDMO CC(C)(C)[N@H+]1CC[C@H]1CNc1nc2c(cc1[N+](=O)[O-])CCCC2 ZINC001458485046 1182530762 /nfs/dbraw/zinc/53/07/62/1182530762.db2.gz UULBOJCGJGZFMX-ZDUSSCGKSA-N 1 1 318.421 3.153 20 5 DGBDMO Cc1cc(N2CC[N@@H+](C3CCCC3)[C@@H](C)C2)ccc1[N+](=O)[O-] ZINC001458601427 1182543143 /nfs/dbraw/zinc/54/31/43/1182543143.db2.gz HUAIIFLXEGXUAJ-AWEZNQCLSA-N 1 1 303.406 3.356 20 5 DGBDMO C[C@H](NCc1csc([N+](=O)[O-])c1)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC001459936317 1182631304 /nfs/dbraw/zinc/63/13/04/1182631304.db2.gz NTCWWPLCORAMMX-GXTWGEPZSA-N 1 1 323.462 3.399 20 5 DGBDMO CC[N@@H+](Cc1cc(C(=O)OC)ccc1[N+](=O)[O-])C1CC(C)(C)C1 ZINC001460234392 1182665325 /nfs/dbraw/zinc/66/53/25/1182665325.db2.gz IVIUZFUHLZCZHB-UHFFFAOYSA-N 1 1 320.389 3.392 20 5 DGBDMO COc1ccc([N+](=O)[O-])cc1C[NH2+]Cc1cc(C)ccc1F ZINC001461376437 1182802907 /nfs/dbraw/zinc/80/29/07/1182802907.db2.gz IBERXYILELZPIB-UHFFFAOYSA-N 1 1 304.321 3.341 20 5 DGBDMO Cc1cc(C)c(Cn2cc([N+](=O)[O-])c(=O)c3ccccc32)c(C)[nH+]1 ZINC001473036624 1183709266 /nfs/dbraw/zinc/70/92/66/1183709266.db2.gz PWHXSDDTCMAZDM-UHFFFAOYSA-N 1 1 323.352 3.278 20 5 DGBDMO COC(=O)c1ccc([N+](=O)[O-])c(C[N@@H+](C)[C@H]2CCCC[C@H]2C)c1 ZINC001473382977 1183750187 /nfs/dbraw/zinc/75/01/87/1183750187.db2.gz BWCFKZKNDKALHP-DOMZBBRYSA-N 1 1 320.389 3.392 20 5 DGBDMO COc1ccc([N+](=O)[O-])cc1C[N@H+]1CCC[C@@H]1COC(C)(C)C ZINC001473782363 1183800982 /nfs/dbraw/zinc/80/09/82/1183800982.db2.gz PLDAQLZTUAOTQY-OAHLLOKOSA-N 1 1 322.405 3.383 20 5 DGBDMO O=[N+]([O-])c1ccc(Cl)c(C[N@@H+]2CC[C@@H](c3cnccn3)C2)c1 ZINC001473833588 1183809829 /nfs/dbraw/zinc/80/98/29/1183809829.db2.gz MPNDRFLNKCOIDN-LLVKDONJSA-N 1 1 318.764 3.028 20 5 DGBDMO O=[N+]([O-])c1ccc(Cl)c(C[N@H+]2CC[C@@H](c3cnccn3)C2)c1 ZINC001473833588 1183809833 /nfs/dbraw/zinc/80/98/33/1183809833.db2.gz MPNDRFLNKCOIDN-LLVKDONJSA-N 1 1 318.764 3.028 20 5 DGBDMO CC(C)[N@H+]1CCC[C@@H]1C(=O)Nc1ccc(Cl)c([N+](=O)[O-])c1 ZINC001524179220 1187220639 /nfs/dbraw/zinc/22/06/39/1187220639.db2.gz RPIAXJDYJDNDKM-GFCCVEGCSA-N 1 1 311.769 3.060 20 5 DGBDMO Cc1cc(NC(=O)c2c(C)ccc([N+](=O)[O-])c2C)cn2cc[nH+]c12 ZINC001526936038 1187399598 /nfs/dbraw/zinc/39/95/98/1187399598.db2.gz ZVBUUIBUCLRPCP-UHFFFAOYSA-N 1 1 324.340 3.420 20 5 DGBDMO C[C@H]1C[NH+](Cc2ccc(Br)cc2[N+](=O)[O-])C[C@@H]1C ZINC001615638551 1193525240 /nfs/dbraw/zinc/52/52/40/1193525240.db2.gz AFFRLXASXBELCQ-UWVGGRQHSA-N 1 1 313.195 3.445 20 5 DGBDMO C[C@H](C(=O)Nc1ccc([N+](=O)[O-])cc1)[N@H+]1CCCC(C)(C)CC1 ZINC001615700151 1193526605 /nfs/dbraw/zinc/52/66/05/1193526605.db2.gz LHDUHHYNKOVCQQ-CYBMUJFWSA-N 1 1 319.405 3.434 20 5 DGBDMO C[C@@H](Cc1ccsc1)[N@@H+](C)C[C@@H](O)c1ccc([N+](=O)[O-])cc1 ZINC001615783031 1193528265 /nfs/dbraw/zinc/52/82/65/1193528265.db2.gz QHRKBAINDWQMGL-BLLLJJGKSA-N 1 1 320.414 3.253 20 5 DGBDMO C[C@H](Cc1ccsc1)[N@@H+](C)C[C@@H](O)c1ccc([N+](=O)[O-])cc1 ZINC001615783033 1193528446 /nfs/dbraw/zinc/52/84/46/1193528446.db2.gz QHRKBAINDWQMGL-MLGOLLRUSA-N 1 1 320.414 3.253 20 5 DGBDMO C[C@H]1CC[N@@H+](CCOc2ccc([N+](=O)[O-])cc2)CC12CCC2 ZINC001616631076 1193543622 /nfs/dbraw/zinc/54/36/22/1193543622.db2.gz YTGNFKSTSBCSHJ-AWEZNQCLSA-N 1 1 304.390 3.486 20 5 DGBDMO O=[N+]([O-])c1cnc(NC[C@@H]2CC[N@H+]2C2CCCCCC2)c(F)c1 ZINC001559260207 1189188486 /nfs/dbraw/zinc/18/84/86/1189188486.db2.gz FFUJVUHLEMSRBS-ZDUSSCGKSA-N 1 1 322.384 3.338 20 5 DGBDMO CCc1[nH+]ccn1CCNc1ncc([N+](=O)[O-])c2ccccc12 ZINC001559279848 1189191504 /nfs/dbraw/zinc/19/15/04/1189191504.db2.gz GWMBJCDENBANBX-UHFFFAOYSA-N 1 1 311.345 3.014 20 5 DGBDMO Cc1ncc([N+](=O)[O-])n1CC[N@H+](C)C[C@H](C)C1CCCCC1 ZINC001560059277 1189274156 /nfs/dbraw/zinc/27/41/56/1189274156.db2.gz XWJXOAISZGFQPZ-ZDUSSCGKSA-N 1 1 308.426 3.248 20 5 DGBDMO COc1c(O)ccc(C[N@H+]2CCC[C@@H]2C2CCCC2)c1[N+](=O)[O-] ZINC001560679443 1189359541 /nfs/dbraw/zinc/35/95/41/1189359541.db2.gz OGDVKMSORSXZCJ-CQSZACIVSA-N 1 1 320.389 3.464 20 5 DGBDMO Cc1ccccc1CC[N@@H+](C)CCOc1cccc([N+](=O)[O-])c1 ZINC001618160605 1193726676 /nfs/dbraw/zinc/72/66/76/1193726676.db2.gz XFQRKBRRIDEMSU-UHFFFAOYSA-N 1 1 314.385 3.457 20 5 DGBDMO CCC[C@@H]1CCC[N@H+]1CCC(=O)Nc1cc([N+](=O)[O-])ccc1F ZINC001620643773 1193785493 /nfs/dbraw/zinc/78/54/93/1193785493.db2.gz QAIGWLBHLWXKKX-GFCCVEGCSA-N 1 1 323.368 3.327 20 5 DGBDMO O=[N+]([O-])c1ccc(C[N@H+]2CCCC[C@@H]2[C@@H]2CCCO2)cc1F ZINC001620669666 1193788451 /nfs/dbraw/zinc/78/84/51/1193788451.db2.gz XIFZTEUQZYCXNY-CVEARBPZSA-N 1 1 308.353 3.267 20 5 DGBDMO C[C@@H]([NH2+]Cc1cc2c(cc[nH]c2=O)o1)c1cccc([N+](=O)[O-])c1 ZINC001620728301 1193795638 /nfs/dbraw/zinc/79/56/38/1193795638.db2.gz LFXRUJXVKHGVTR-SNVBAGLBSA-N 1 1 313.313 3.292 20 5 DGBDMO Cc1ccc([C@@H](C)NC(=O)C[N@@H+](C)CC(C)(C)C)cc1[N+](=O)[O-] ZINC001630156270 1194271624 /nfs/dbraw/zinc/27/16/24/1194271624.db2.gz HNZQRGLQJRKVEY-CYBMUJFWSA-N 1 1 321.421 3.058 20 5 DGBDMO C[C@H](c1ccccc1)[N@@H+](CCO)Cc1cccc([N+](=O)[O-])c1 ZINC001642328830 1194903021 /nfs/dbraw/zinc/90/30/21/1194903021.db2.gz JJWAHUHGGSRJHG-CQSZACIVSA-N 1 1 300.358 3.150 20 5 DGBDMO O=[N+]([O-])c1ccc(C[NH2+][C@@H](CCO)c2cccs2)c(F)c1 ZINC001642667658 1194927113 /nfs/dbraw/zinc/92/71/13/1194927113.db2.gz JCPVLWKLMUGWKM-ZDUSSCGKSA-N 1 1 310.350 3.009 20 5 DGBDMO CCc1[nH+]ccn1CCNc1ccc([N+](=O)[O-])c2cnccc12 ZINC001643182898 1195001300 /nfs/dbraw/zinc/00/13/00/1195001300.db2.gz NBXKRKFFCUXPQR-UHFFFAOYSA-N 1 1 311.345 3.014 20 5 DGBDMO O=[N+]([O-])c1ccc(CC[N@H+]2CCSC[C@H]2C2CCC2)cc1 ZINC001643502584 1195029649 /nfs/dbraw/zinc/02/96/49/1195029649.db2.gz ZMISMDCBUKABLX-INIZCTEOSA-N 1 1 306.431 3.355 20 5 DGBDMO O=[N+]([O-])c1cccc(C[N@@H+]2CCC[C@@]2(CO)c2ccccc2)c1 ZINC001648635444 1195315585 /nfs/dbraw/zinc/31/55/85/1195315585.db2.gz PLNUKZWYDWRXSN-GOSISDBHSA-N 1 1 312.369 3.078 20 5 DGBDMO CN(C[C@H]1CCC[N@H+]1C)c1cccc(C(F)(F)F)c1[N+](=O)[O-] ZINC001651166418 1195422161 /nfs/dbraw/zinc/42/21/61/1195422161.db2.gz RVFGJCAVKIAAFX-SNVBAGLBSA-N 1 1 317.311 3.144 20 5 DGBDMO C[C@@H]([NH2+]Cc1cc(-c2ccccn2)n[nH]1)c1ccccc1[N+](=O)[O-] ZINC001651513553 1195474203 /nfs/dbraw/zinc/47/42/03/1195474203.db2.gz ZLWINCJYVJEFGO-GFCCVEGCSA-N 1 1 323.356 3.231 20 5 DGBDMO CCC[N@@H+](C)CC(C)(C)Nc1ncc(Cl)cc1[N+](=O)[O-] ZINC001652070886 1195543922 /nfs/dbraw/zinc/54/39/22/1195543922.db2.gz RLXMLEOOPQXDPQ-UHFFFAOYSA-N 1 1 300.790 3.176 20 5 DGBDMO C[C@@H]1CCC[C@@H](C)[N@@H+](CCC(=O)Nc2ccc([N+](=O)[O-])cc2)C1 ZINC001652526144 1195611440 /nfs/dbraw/zinc/61/14/40/1195611440.db2.gz FHPIEKFVJODWOV-ZIAGYGMSSA-N 1 1 319.405 3.434 20 5 DGBDMO CC(C)[C@@H]1CCCC[N@H+]1CCC(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC001653381277 1195715967 /nfs/dbraw/zinc/71/59/67/1195715967.db2.gz DNXWMFGKZRVVQK-INIZCTEOSA-N 1 1 319.405 3.434 20 5 DGBDMO CC[C@H]1CC[N@@H+](CCC(=O)Nc2ccc([N+](=O)[O-])cc2C)[C@@H]1C ZINC001654218875 1195785017 /nfs/dbraw/zinc/78/50/17/1195785017.db2.gz PZGNFZBCTDPKRJ-KGLIPLIRSA-N 1 1 319.405 3.352 20 5 DGBDMO CC(C)(C)[C@H]1CSCC[N@H+]1CCOc1ccc([N+](=O)[O-])cc1 ZINC001654630719 1195825479 /nfs/dbraw/zinc/82/54/79/1195825479.db2.gz XFRUSRQVXRNZJF-OAHLLOKOSA-N 1 1 324.446 3.437 20 5 DGBDMO Cc1ccc2c(c1)CC[N@H+](CCOc1ccc([N+](=O)[O-])cc1)C2 ZINC001654785988 1195840129 /nfs/dbraw/zinc/84/01/29/1195840129.db2.gz RTKQBMCVWJCKHF-UHFFFAOYSA-N 1 1 312.369 3.340 20 5 DGBDMO O=[N+]([O-])c1cccc(-c2ccc(CNCC[NH+]3CCCC3)o2)c1 ZINC001655199388 1195889947 /nfs/dbraw/zinc/88/99/47/1195889947.db2.gz VMDVSFRVVACHHF-UHFFFAOYSA-N 1 1 315.373 3.040 20 5 DGBDMO CC(C)C[N@@H+](C)CCCNc1ncc(Cl)cc1[N+](=O)[O-] ZINC001655639335 1195944223 /nfs/dbraw/zinc/94/42/23/1195944223.db2.gz OJMVWVNNDRQVLC-UHFFFAOYSA-N 1 1 300.790 3.033 20 5 DGBDMO O=[N+]([O-])c1ccc(NC[C@H]2CC[N@H+]2C2CCCCCC2)nc1 ZINC001655775312 1195961353 /nfs/dbraw/zinc/96/13/53/1195961353.db2.gz GSFDXSMMSQIFAB-CQSZACIVSA-N 1 1 304.394 3.199 20 5 DGBDMO COc1cc([N+](=O)[O-])ccc1C[N@H+]1CCCC[C@]12CCCOC2 ZINC001655921780 1195977873 /nfs/dbraw/zinc/97/78/73/1195977873.db2.gz IMAJLAQIXRJECR-QGZVFWFLSA-N 1 1 320.389 3.139 20 5 DGBDMO O=[N+]([O-])c1ccc(C[NH2+]Cc2cnc([C@H]3CCCO3)s2)cc1 ZINC001656145769 1196010027 /nfs/dbraw/zinc/01/00/27/1196010027.db2.gz CFUDXFGKUVBWTE-CQSZACIVSA-N 1 1 319.386 3.193 20 5 DGBDMO CC[C@@](C)(C[N@@H+](C)Cc1cc([N+](=O)[O-])ccc1Cl)OC ZINC001657242386 1196122893 /nfs/dbraw/zinc/12/28/93/1196122893.db2.gz GHPHXZHCLLAPII-AWEZNQCLSA-N 1 1 300.786 3.495 20 5 DGBDMO O=[N+]([O-])c1ccc(N[C@H]2CC[N@@H+](CC3CC4(CCC4)C3)C2)nc1 ZINC001657625206 1196161585 /nfs/dbraw/zinc/16/15/85/1196161585.db2.gz JBEFFEXVEAYLRF-AWEZNQCLSA-N 1 1 316.405 3.056 20 5 DGBDMO C[C@@H](c1ccccc1)[N@@H+](CCO)Cc1cccc([N+](=O)[O-])c1 ZINC001657864793 1196189285 /nfs/dbraw/zinc/18/92/85/1196189285.db2.gz JJWAHUHGGSRJHG-AWEZNQCLSA-N 1 1 300.358 3.150 20 5 DGBDMO CC1(C)CO[C@@H](C[N@@H+](Cc2ccc([N+](=O)[O-])cc2)C2CC2)C1 ZINC001658082130 1196210439 /nfs/dbraw/zinc/21/04/39/1196210439.db2.gz KWTNFTCMVYNDLM-MRXNPFEDSA-N 1 1 304.390 3.374 20 5 DGBDMO CC[C@H]1CC[N@@H+](CCC(=O)Nc2cccc([N+](=O)[O-])c2C)[C@H]1C ZINC001658341370 1196244260 /nfs/dbraw/zinc/24/42/60/1196244260.db2.gz RLBBGMYMJXPVQY-KBPBESRZSA-N 1 1 319.405 3.352 20 5 DGBDMO COc1c(O)ccc(C[N@H+]2CCC[C@@H](C3CCC3)C2)c1[N+](=O)[O-] ZINC001660312659 1196469987 /nfs/dbraw/zinc/46/99/87/1196469987.db2.gz MDAKAWRWVCQBDM-CYBMUJFWSA-N 1 1 320.389 3.321 20 5 DGBDMO CC[C@H]1CCCC[N@H+]1CCNCc1cccc([N+](=O)[O-])c1C ZINC001661391244 1196600576 /nfs/dbraw/zinc/60/05/76/1196600576.db2.gz OBYSARJVHKZQFT-INIZCTEOSA-N 1 1 305.422 3.257 20 5 DGBDMO CC[C@H]1CCCCN1CC[NH2+]Cc1cccc([N+](=O)[O-])c1C ZINC001661391244 1196600579 /nfs/dbraw/zinc/60/05/79/1196600579.db2.gz OBYSARJVHKZQFT-INIZCTEOSA-N 1 1 305.422 3.257 20 5 DGBDMO CCCC(=O)N(CC[N@@H+](C)Cc1ccc([N+](=O)[O-])cc1)C(C)C ZINC001717944447 1203730909 /nfs/dbraw/zinc/73/09/09/1203730909.db2.gz AFFOTPPLKZVTMU-UHFFFAOYSA-N 1 1 321.421 3.064 20 5 DGBDMO Cc1cc(Cl)c([N+](=O)[O-])c(NCC[C@@H]2CCC[N@H+](C)C2)n1 ZINC001156379283 1081658193 /nfs/dbraw/zinc/65/81/93/1081658193.db2.gz SPTBHCURFPCTGN-NSHDSACASA-N 1 1 312.801 3.095 20 5 DGBDMO COc1ccc(C[C@@H](C)[N@H+]2CC[C@@](C)(CF)C2)c([N+](=O)[O-])c1 ZINC001170328722 1082347353 /nfs/dbraw/zinc/34/73/53/1082347353.db2.gz LQVSCQALEOLRFD-WBMJQRKESA-N 1 1 310.369 3.216 20 5 DGBDMO COc1ccc(C[C@H](C)[N@H+]2CCC[C@@H](F)CC2)c([N+](=O)[O-])c1 ZINC001170328381 1082347940 /nfs/dbraw/zinc/34/79/40/1082347940.db2.gz KGZYQAZUCAFMTD-GXTWGEPZSA-N 1 1 310.369 3.358 20 5 DGBDMO CC(C)[N@@H+]1CC[C@H]1C(=O)Nc1cc2cccnc2c2ncccc12 ZINC001182851841 1083828734 /nfs/dbraw/zinc/82/87/34/1083828734.db2.gz JQWOURVQJGXITF-INIZCTEOSA-N 1 1 320.396 3.204 20 5 DGBDMO CC(C)[N@H+]1CC[C@H]1C(=O)Nc1cc2cccnc2c2ncccc12 ZINC001182851841 1083828743 /nfs/dbraw/zinc/82/87/43/1083828743.db2.gz JQWOURVQJGXITF-INIZCTEOSA-N 1 1 320.396 3.204 20 5 DGBDMO C[N@H+]1C[C@@]2(C)CN(c3cc(Cl)ccc3[N+](=O)[O-])C[C@@]2(C)C1 ZINC001187215088 1084775856 /nfs/dbraw/zinc/77/58/56/1084775856.db2.gz AMRIMDXAVGHEFM-GASCZTMLSA-N 1 1 309.797 3.026 20 5 DGBDMO CC[N@H+]1CCN(c2nccc3cc([N+](=O)[O-])ccc32)C(C)(C)C1 ZINC001158569550 1087916745 /nfs/dbraw/zinc/91/67/45/1087916745.db2.gz RDIYMKMRCRXCFW-UHFFFAOYSA-N 1 1 314.389 3.064 20 5 DGBDMO CC(C)[NH+]1CC(Nc2cc3ccc(Cl)nc3cc2[N+](=O)[O-])C1 ZINC001157529790 1090010126 /nfs/dbraw/zinc/01/01/26/1090010126.db2.gz LRQQNGDFBULSNL-UHFFFAOYSA-N 1 1 320.780 3.301 20 5 DGBDMO C[N@@H+]1CC=C(CNc2cccc(C(F)(F)F)c2[N+](=O)[O-])CC1 ZINC001162922824 1090026209 /nfs/dbraw/zinc/02/62/09/1090026209.db2.gz ZIPUMARJGRHXOV-UHFFFAOYSA-N 1 1 315.295 3.287 20 5 DGBDMO Cc1c(C)c(N[C@@H]2CC[N@H+](C(C)C)C[C@H]2C)ncc1[N+](=O)[O-] ZINC001163367381 1090167147 /nfs/dbraw/zinc/16/71/47/1090167147.db2.gz YXAPGNQAVPCHPZ-BXUZGUMPSA-N 1 1 306.410 3.137 20 5 DGBDMO Cc1[nH+]ccn1CCNc1cc(C(F)(F)F)ccc1[N+](=O)[O-] ZINC001163923379 1090287013 /nfs/dbraw/zinc/28/70/13/1090287013.db2.gz HQFDYZRSPLASQF-UHFFFAOYSA-N 1 1 314.267 3.231 20 5 DGBDMO Cc1[nH+]ccn1CCNc1cc([N+](=O)[O-])cc(C(F)(F)F)c1 ZINC001163924639 1090287928 /nfs/dbraw/zinc/28/79/28/1090287928.db2.gz YRTYVEJZLTUZTG-UHFFFAOYSA-N 1 1 314.267 3.231 20 5 DGBDMO CCC(=O)c1ccc(NCc2[nH]c(C)[nH+]c2C)c([N+](=O)[O-])c1 ZINC001164181682 1090365420 /nfs/dbraw/zinc/36/54/20/1090365420.db2.gz CGDSHTDSAPCXBQ-UHFFFAOYSA-N 1 1 302.334 3.140 20 5 DGBDMO Nc1[nH+]ccc2c1CN(c1ccc([N+](=O)[O-])cc1C(F)F)CC2 ZINC001164351918 1090409165 /nfs/dbraw/zinc/40/91/65/1090409165.db2.gz XJRXQYWLGBGQHP-UHFFFAOYSA-N 1 1 320.299 3.072 20 5 DGBDMO COc1cc(C)c([N+](=O)[O-])cc1NCC[C@H]1CCC[N@@H+](C)C1 ZINC001165277815 1090494781 /nfs/dbraw/zinc/49/47/81/1090494781.db2.gz AINHSBOIUNZQPU-CYBMUJFWSA-N 1 1 307.394 3.056 20 5 DGBDMO CCOc1cc([N+](=O)[O-])ccc1NCC[C@H]1CCC[N@@H+](C)C1 ZINC001165278761 1090495249 /nfs/dbraw/zinc/49/52/49/1090495249.db2.gz LJCVZIQABCRJRQ-CYBMUJFWSA-N 1 1 307.394 3.137 20 5 DGBDMO C[NH+](C)/C=C/c1cc(N2CCC23CCCC3)ncc1[N+](=O)[O-] ZINC001165280736 1090496002 /nfs/dbraw/zinc/49/60/02/1090496002.db2.gz WYYZBYXCFFALFS-WEVVVXLNSA-N 1 1 302.378 3.045 20 5 DGBDMO C[C@@H]1[C@@H](C)CCCN1c1cc(/C=C/[NH+](C)C)c([N+](=O)[O-])cn1 ZINC001166612565 1090629209 /nfs/dbraw/zinc/62/92/09/1090629209.db2.gz OQHNKAIDTOOCBJ-BPDPDCLSSA-N 1 1 304.394 3.147 20 5 DGBDMO COc1ccc(C2=CC[N@H+]([C@@H]3CC[C@@H](C[N+](=O)[O-])C3)CC2)cc1 ZINC001169042165 1092500357 /nfs/dbraw/zinc/50/03/57/1092500357.db2.gz DHKDGHSAGQGHSF-RHSMWYFYSA-N 1 1 316.401 3.230 20 5 DGBDMO COc1ccc(C2=CC[N@H+]([C@H]3CC[C@H](C[N+](=O)[O-])C3)CC2)cc1 ZINC001169042431 1092500822 /nfs/dbraw/zinc/50/08/22/1092500822.db2.gz DHKDGHSAGQGHSF-YOEHRIQHSA-N 1 1 316.401 3.230 20 5 DGBDMO COc1ccccc1C[C@H](C)[N@@H+](C)[C@H]1CC[C@@H](C[N+](=O)[O-])C1 ZINC001169047455 1092506954 /nfs/dbraw/zinc/50/69/54/1092506954.db2.gz RCSNQRFXEUBZSE-LZWOXQAQSA-N 1 1 306.406 3.003 20 5 DGBDMO COc1ccc([N+](=O)[O-])cc1Nc1cc[nH+]cc1C(F)(F)F ZINC001210443415 1093167083 /nfs/dbraw/zinc/16/70/83/1093167083.db2.gz FBMLHUPRPDGUMT-UHFFFAOYSA-N 1 1 313.235 3.183 20 5 DGBDMO O=[N+]([O-])c1ccc(CO[C@@H]2CC[NH2+]CC2(F)F)c2ccccc21 ZINC001217779346 1094493848 /nfs/dbraw/zinc/49/38/48/1094493848.db2.gz ADDGNVTTWPPIPI-OAHLLOKOSA-N 1 1 322.311 3.262 20 5 DGBDMO Cc1[nH+]ccn1CCNc1ccc([N+](=O)[O-])c(OC(C)(C)C)c1 ZINC001336715325 1094706730 /nfs/dbraw/zinc/70/67/30/1094706730.db2.gz VSMFWHMZBGIILM-UHFFFAOYSA-N 1 1 318.377 3.389 20 5 DGBDMO C[C@@H]1C[C@@H](Nc2ncc([N+](=O)[O-])c3ccccc32)CC[N@H+]1C ZINC001337340968 1094938967 /nfs/dbraw/zinc/93/89/67/1094938967.db2.gz ZGRWICNJBKQSLG-NEPJUHHUSA-N 1 1 300.362 3.038 20 5 DGBDMO Cn1c[nH+]cc1C1CCN(c2cc(Cl)ccc2[N+](=O)[O-])CC1 ZINC001337457432 1094981740 /nfs/dbraw/zinc/98/17/40/1094981740.db2.gz DWLCGAGGJCWFHV-UHFFFAOYSA-N 1 1 320.780 3.366 20 5 DGBDMO O=[N+]([O-])c1ccc2c(ccnc2N[C@H]2CC[N@H+]3CCCC[C@H]23)c1 ZINC001337735104 1095076187 /nfs/dbraw/zinc/07/61/87/1095076187.db2.gz SHLWTIYNKWNKQW-JKSUJKDBSA-N 1 1 312.373 3.182 20 5 DGBDMO C/C(=C/c1cccc([N+](=O)[O-])c1)C[N@H+]1CC[C@@H]2OCCC[C@H]2C1 ZINC001116743379 1095647040 /nfs/dbraw/zinc/64/70/40/1095647040.db2.gz KCEJRYKDLCAHQW-FHYOKYKPSA-N 1 1 316.401 3.499 20 5 DGBDMO C[N@H+]1C[C@@H]2CC[C@@H](Nc3ccc([N+](=O)[O-])cc3C(F)F)[C@H]2C1 ZINC001340000447 1095806169 /nfs/dbraw/zinc/80/61/69/1095806169.db2.gz WVAKQUVFZBNNQH-DUFXMDAXSA-N 1 1 311.332 3.285 20 5 DGBDMO Cc1c(CO[C@H]2[C@@H]3CCC[C@H]2C[N@H+](C)C3)cccc1[N+](=O)[O-] ZINC001223330077 1095938532 /nfs/dbraw/zinc/93/85/32/1095938532.db2.gz HJLGKYYBDKDCPB-HALDLXJZSA-N 1 1 304.390 3.150 20 5 DGBDMO CCCC1CC[NH+](CC(=O)Nc2cc([N+](=O)[O-])ccc2C)CC1 ZINC001340808599 1096037841 /nfs/dbraw/zinc/03/78/41/1096037841.db2.gz HBEAZFVZULYKKL-UHFFFAOYSA-N 1 1 319.405 3.354 20 5 DGBDMO C[NH+]1C(C)(C)CC(Oc2cc(O)ccc2[N+](=O)[O-])CC1(C)C ZINC001225490790 1096446927 /nfs/dbraw/zinc/44/69/27/1096446927.db2.gz KTNCTBYAJJYWTK-UHFFFAOYSA-N 1 1 308.378 3.331 20 5 DGBDMO CC[N@H+]1CCC[C@H](Oc2ccc(C(F)(F)F)cc2[N+](=O)[O-])C1 ZINC001225954362 1096572836 /nfs/dbraw/zinc/57/28/36/1096572836.db2.gz VMICRKFEJKRWTL-NSHDSACASA-N 1 1 318.295 3.477 20 5 DGBDMO CC[N@H+]1CCC[C@@H](Oc2cc([N+](=O)[O-])c(F)cc2Cl)C1 ZINC001226199759 1096636847 /nfs/dbraw/zinc/63/68/47/1096636847.db2.gz ZOLJYHYHYJAUJL-SECBINFHSA-N 1 1 302.733 3.250 20 5 DGBDMO CC[N@H+]1CC[C@H](Oc2ccc([N+](=O)[O-])cc2C(F)(F)F)C1 ZINC001226311419 1096658600 /nfs/dbraw/zinc/65/86/00/1096658600.db2.gz QXFFVEPFAWZVCI-JTQLQIEISA-N 1 1 304.268 3.087 20 5 DGBDMO Cc1cc([N+](=O)[O-])cnc1O[C@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2C(C)C ZINC001226760715 1096769715 /nfs/dbraw/zinc/76/97/15/1096769715.db2.gz CRKGEFVSMWFLRR-NHAGDIPZSA-N 1 1 305.378 3.081 20 5 DGBDMO O=[N+]([O-])c1cc(F)c(Cl)cc1OC1CC[NH+](CCF)CC1 ZINC001226909071 1096812744 /nfs/dbraw/zinc/81/27/44/1096812744.db2.gz PZAODSQZKMTEJI-UHFFFAOYSA-N 1 1 320.723 3.200 20 5 DGBDMO CC(C)[N@H+]1CC[C@@H](Oc2cc(Cl)c(F)cc2[N+](=O)[O-])C1 ZINC001226909495 1096813066 /nfs/dbraw/zinc/81/30/66/1096813066.db2.gz VOIFUAZXQITKCW-SECBINFHSA-N 1 1 302.733 3.249 20 5 DGBDMO CC[N@H+]1CC[C@H](Oc2ccc(C(F)(F)F)c([N+](=O)[O-])c2)C1 ZINC001226964630 1096829986 /nfs/dbraw/zinc/82/99/86/1096829986.db2.gz PRKOXEPMDSQREA-JTQLQIEISA-N 1 1 304.268 3.087 20 5 DGBDMO C[C@@H](C[NH+]1CCOCC1)Oc1nc2ccccc2c2ccccc21 ZINC001226992942 1096839595 /nfs/dbraw/zinc/83/95/95/1096839595.db2.gz ODIHNXYFDBXJDU-HNNXBMFYSA-N 1 1 322.408 3.488 20 5 DGBDMO C[N@@H+]1C[C@H]2CCC[C@@H](C1)[C@@H]2Oc1c(Cl)cccc1[N+](=O)[O-] ZINC001228001137 1097028862 /nfs/dbraw/zinc/02/88/62/1097028862.db2.gz RXXUQADSNQYZPK-GNXNZQSNSA-N 1 1 310.781 3.357 20 5 DGBDMO CC(C)(C)[NH+]1CC(Oc2ccc([N+](=O)[O-])c3cccnc23)C1 ZINC001228135270 1097059296 /nfs/dbraw/zinc/05/92/96/1097059296.db2.gz DAVIOPNASAKMHU-UHFFFAOYSA-N 1 1 301.346 3.005 20 5 DGBDMO C[N@@H+]1[C@@H]2CC[C@H]1C[C@@H](Oc1ccc([N+](=O)[O-])c3cccnc13)C2 ZINC001228136192 1097060218 /nfs/dbraw/zinc/06/02/18/1097060218.db2.gz QOXNSLHYDRWKGA-ITGUQSILSA-N 1 1 313.357 3.147 20 5 DGBDMO CC[N@@H+]1CC[C@@H](Oc2c(Cl)cc([N+](=O)[O-])cc2Cl)C1 ZINC001228198736 1097071977 /nfs/dbraw/zinc/07/19/77/1097071977.db2.gz PAPWRSJBEIUZLY-SECBINFHSA-N 1 1 305.161 3.375 20 5 DGBDMO CC[N@H+]1CC[C@@H](Oc2c(Cl)cc([N+](=O)[O-])cc2Cl)C1 ZINC001228198736 1097071983 /nfs/dbraw/zinc/07/19/83/1097071983.db2.gz PAPWRSJBEIUZLY-SECBINFHSA-N 1 1 305.161 3.375 20 5 DGBDMO CC(C)[N@H+]1CCC[C@@H](Oc2nc3ccc([N+](=O)[O-])cc3s2)C1 ZINC001228211672 1097074443 /nfs/dbraw/zinc/07/44/43/1097074443.db2.gz OVTKLKMVVUXXJD-GFCCVEGCSA-N 1 1 321.402 3.456 20 5 DGBDMO Cc1cc(C)c(O[C@H]2[C@@H]3CCC[C@H]2C[N@H+](C)C3)c([N+](=O)[O-])c1 ZINC001228236654 1097079737 /nfs/dbraw/zinc/07/97/37/1097079737.db2.gz BACZMFPZHFOOEL-HALDLXJZSA-N 1 1 304.390 3.321 20 5 DGBDMO Cc1c(CN[C@H]2CC[N@H+](C3CCCCC3)C2)cccc1[N+](=O)[O-] ZINC001203181577 1097208968 /nfs/dbraw/zinc/20/89/68/1097208968.db2.gz ZWHMINUWOMMBRI-INIZCTEOSA-N 1 1 317.433 3.400 20 5 DGBDMO Cc1c(C[NH2+][C@H]2CCN(C3CCCCC3)C2)cccc1[N+](=O)[O-] ZINC001203181577 1097208972 /nfs/dbraw/zinc/20/89/72/1097208972.db2.gz ZWHMINUWOMMBRI-INIZCTEOSA-N 1 1 317.433 3.400 20 5 DGBDMO C[N@H+]1CCC[C@H](Oc2nccc3ccc([N+](=O)[O-])cc32)CC1 ZINC001229005428 1097235077 /nfs/dbraw/zinc/23/50/77/1097235077.db2.gz IIMDOILITCKRAC-AWEZNQCLSA-N 1 1 301.346 3.006 20 5 DGBDMO C[N@@H+]1C[C@H]2CCC[C@@H](C1)[C@H]2Oc1ccc(/C=C/[N+](=O)[O-])cc1 ZINC001229115849 1097258920 /nfs/dbraw/zinc/25/89/20/1097258920.db2.gz SPNLDKIPFDXGEF-QXKSGRMLSA-N 1 1 302.374 3.043 20 5 DGBDMO CCC(=O)c1cc([N+](=O)[O-])ccc1O[C@@H]1CCC[N@H+](CC)C1 ZINC001229179238 1097271897 /nfs/dbraw/zinc/27/18/97/1097271897.db2.gz IQEZOENBSKOONT-CYBMUJFWSA-N 1 1 306.362 3.051 20 5 DGBDMO O=[N+]([O-])c1ccc2c(c1)CC[C@@H]([N@H+]1Cc3ncsc3C1)CC2 ZINC001172921723 1097280916 /nfs/dbraw/zinc/28/09/16/1097280916.db2.gz RNTMFHQOZDBXLU-ZDUSSCGKSA-N 1 1 315.398 3.315 20 5 DGBDMO O=[N+]([O-])c1ccc2c(c1)CC[C@@H]([N@@H+]1Cc3ncsc3C1)CC2 ZINC001172921723 1097280921 /nfs/dbraw/zinc/28/09/21/1097280921.db2.gz RNTMFHQOZDBXLU-ZDUSSCGKSA-N 1 1 315.398 3.315 20 5 DGBDMO CC(C)O[C@H]1CC[N@H+]([C@H]2CCc3ccc([N+](=O)[O-])cc3CC2)C1 ZINC001172920114 1097281181 /nfs/dbraw/zinc/28/11/81/1097281181.db2.gz IKNWHYQPVNUKHL-WMZOPIPTSA-N 1 1 318.417 3.342 20 5 DGBDMO CC(C)(O)[C@H]1CCC[N@H+]1[C@H]1CCc2ccc([N+](=O)[O-])cc2CC1 ZINC001172922590 1097281455 /nfs/dbraw/zinc/28/14/55/1097281455.db2.gz ZBMBELNOGFYLLH-DOTOQJQBSA-N 1 1 318.417 3.078 20 5 DGBDMO O=[N+]([O-])c1ccc2c(c1)CC[C@H]([N@H+]1C[C@@H]3C[C@H]1C[C@@H]3F)CC2 ZINC001172922179 1097281805 /nfs/dbraw/zinc/28/18/05/1097281805.db2.gz WTTNUHRLIPQGIF-FSDCSDTHSA-N 1 1 304.365 3.275 20 5 DGBDMO CCC[N@@H+](C)C1CCN(c2c(F)cc([N+](=O)[O-])cc2F)CC1 ZINC001173014319 1097306947 /nfs/dbraw/zinc/30/69/47/1097306947.db2.gz NQGMBFNYYVYAEU-UHFFFAOYSA-N 1 1 313.348 3.184 20 5 DGBDMO COc1ccc([N+](=O)[O-])c(C[C@@H](C)[N@H+]2C[C@@H]3CCC[C@@H]3C2)c1F ZINC001173180121 1097356830 /nfs/dbraw/zinc/35/68/30/1097356830.db2.gz IMGMOMHLQBIVIL-UPJWGTAASA-N 1 1 322.380 3.405 20 5 DGBDMO COCC[C@@H]1CCCC[N@H+]1[C@H](C)Cc1ccc([N+](=O)[O-])cc1 ZINC001173225716 1097374869 /nfs/dbraw/zinc/37/48/69/1097374869.db2.gz FNZXMTHCGGVIBN-ZBFHGGJFSA-N 1 1 306.406 3.417 20 5 DGBDMO C[C@H](Cc1ccc([N+](=O)[O-])cc1)[N@H+](C)[C@@H](C)C(=O)OC(C)(C)C ZINC001173232276 1097376980 /nfs/dbraw/zinc/37/69/80/1097376980.db2.gz QLMTUUDIPMZOPK-OLZOCXBDSA-N 1 1 322.405 3.188 20 5 DGBDMO C[C@H](Cc1ccc([N+](=O)[O-])cc1)[N@@H+](C)[C@@H](C)C(=O)OC(C)(C)C ZINC001173232276 1097376986 /nfs/dbraw/zinc/37/69/86/1097376986.db2.gz QLMTUUDIPMZOPK-OLZOCXBDSA-N 1 1 322.405 3.188 20 5 DGBDMO CC(C)[N@@H+](CCCCCO)[C@@H](C)Cc1ccc([N+](=O)[O-])cc1 ZINC001173230742 1097377210 /nfs/dbraw/zinc/37/72/10/1097377210.db2.gz FGLWBZHGNSGJBK-HNNXBMFYSA-N 1 1 308.422 3.399 20 5 DGBDMO C[N@H+]1CCC[C@H](Oc2cc([N+](=O)[O-])cc(C(F)(F)F)c2)CC1 ZINC001229830923 1097394512 /nfs/dbraw/zinc/39/45/12/1097394512.db2.gz IDCGSIZLOQWFSG-LBPRGKRZSA-N 1 1 318.295 3.477 20 5 DGBDMO CC(C)[N@H+]1CC[C@@H](Oc2cc([N+](=O)[O-])cc(C(F)(F)F)c2)C1 ZINC001229830318 1097394770 /nfs/dbraw/zinc/39/47/70/1097394770.db2.gz ADMSFGVVXNUULF-GFCCVEGCSA-N 1 1 318.295 3.475 20 5 DGBDMO Cc1cc(O[C@H]2[C@@H]3CCC[C@H]2C[N@H+](C)C3)cc([N+](=O)[O-])c1C ZINC001230478100 1097495434 /nfs/dbraw/zinc/49/54/34/1097495434.db2.gz SSLBUYKNIGZLCI-HALDLXJZSA-N 1 1 304.390 3.321 20 5 DGBDMO Cn1cc(C[N@H+](C)Cc2ccc3ccc4cccnc4c3n2)cn1 ZINC001232218947 1097971233 /nfs/dbraw/zinc/97/12/33/1097971233.db2.gz IKZLFGOADLOHIF-UHFFFAOYSA-N 1 1 317.396 3.149 20 5 DGBDMO Cn1cc(C[N@@H+](C)Cc2ccc3ccc4cccnc4c3n2)cn1 ZINC001232218947 1097971236 /nfs/dbraw/zinc/97/12/36/1097971236.db2.gz IKZLFGOADLOHIF-UHFFFAOYSA-N 1 1 317.396 3.149 20 5 DGBDMO C[C@H]1C[NH+](Cc2ccc3ccc4cccnc4c3n2)C[C@H](C)O1 ZINC001232219984 1097971848 /nfs/dbraw/zinc/97/18/48/1097971848.db2.gz ZTZJFLWFDBGWIB-KBPBESRZSA-N 1 1 307.397 3.392 20 5 DGBDMO C[C@@H]1C[NH+](Cc2ccc3ccc4cccnc4c3n2)C[C@@H](C)O1 ZINC001232219986 1097971941 /nfs/dbraw/zinc/97/19/41/1097971941.db2.gz ZTZJFLWFDBGWIB-ZIAGYGMSSA-N 1 1 307.397 3.392 20 5 DGBDMO c1cnc2c(c1)ccc1ccc(C[N@H+]3C[C@H]4CC[C@@H](C3)O4)nc12 ZINC001232219057 1097972000 /nfs/dbraw/zinc/97/20/00/1097972000.db2.gz PYQWKJYGFYRDIE-CALCHBBNSA-N 1 1 305.381 3.146 20 5 DGBDMO c1cnc2c(c1)ccc1ccc(C[N@@H+]3C[C@H]4CC[C@@H](C3)O4)nc12 ZINC001232219057 1097972006 /nfs/dbraw/zinc/97/20/06/1097972006.db2.gz PYQWKJYGFYRDIE-CALCHBBNSA-N 1 1 305.381 3.146 20 5 DGBDMO CC[N@H+]1CCN(Cc2ccc3ccc4cccnc4c3n2)C[C@H]1C ZINC001232224993 1097973263 /nfs/dbraw/zinc/97/32/63/1097973263.db2.gz UCKVKLSDJPZCMZ-OAHLLOKOSA-N 1 1 320.440 3.309 20 5 DGBDMO CCN1CC[N@@H+](Cc2ccc3ccc4cccnc4c3n2)C[C@H]1C ZINC001232224993 1097973273 /nfs/dbraw/zinc/97/32/73/1097973273.db2.gz UCKVKLSDJPZCMZ-OAHLLOKOSA-N 1 1 320.440 3.309 20 5 DGBDMO O=[N+]([O-])c1ccc(F)c(Nc2cc[nH+]cc2C(F)(F)F)c1 ZINC001175734724 1098149021 /nfs/dbraw/zinc/14/90/21/1098149021.db2.gz NZMGBIPUHVVKIW-UHFFFAOYSA-N 1 1 301.199 3.313 20 5 DGBDMO Cc1ccc(CN2CC[N@H+](C)C[C@H]2CC(C)C)cc1[N+](=O)[O-] ZINC001176432376 1098339900 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301.346 3.239 20 5 DGBDMO Cc1c(C[N@H+]2CCCC[C@H]2[C@H]2CCCO2)cccc1[N+](=O)[O-] ZINC001198684602 1101958317 /nfs/dbraw/zinc/95/83/17/1101958317.db2.gz CAZYDESQTGBBLR-DLBZAZTESA-N 1 1 304.390 3.437 20 5 DGBDMO O=C(C[N@@H+]1CC2CCC1CC2)Nc1cc(Cl)ccc1[N+](=O)[O-] ZINC001327321337 1103622080 /nfs/dbraw/zinc/62/20/80/1103622080.db2.gz PNVAAAHHDZWMST-UHFFFAOYSA-N 1 1 323.780 3.061 20 5 DGBDMO O=C(C[N@H+]1CC2CCC1CC2)Nc1cc(Cl)ccc1[N+](=O)[O-] ZINC001327321337 1103622084 /nfs/dbraw/zinc/62/20/84/1103622084.db2.gz PNVAAAHHDZWMST-UHFFFAOYSA-N 1 1 323.780 3.061 20 5 DGBDMO CC(C)C[N@H+]([C@@H](C)Cc1ccc([N+](=O)[O-])cc1)[C@@H]1CCCNC1 ZINC001246953034 1104750892 /nfs/dbraw/zinc/75/08/92/1104750892.db2.gz OPGCFJBRGLHNPL-MAUKXSAKSA-N 1 1 319.449 3.236 20 5 DGBDMO CC(C)C[N@@H+]([C@@H](C)Cc1ccc([N+](=O)[O-])cc1)[C@@H]1CCCNC1 ZINC001246953034 1104750895 /nfs/dbraw/zinc/75/08/95/1104750895.db2.gz OPGCFJBRGLHNPL-MAUKXSAKSA-N 1 1 319.449 3.236 20 5 DGBDMO CC[C@@H]([NH3+])c1nc(-c2ccc3ccc4cccnc4c3n2)no1 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COc1cccc2c1C[N@H+]([C@@H]1Cc3ccc([N+](=O)[O-])cc3C1)CC2 ZINC001254598831 1106110885 /nfs/dbraw/zinc/11/08/85/1106110885.db2.gz MAUZLLKHVAJIQH-QGZVFWFLSA-N 1 1 324.380 3.129 20 5 DGBDMO Cc1ccc2c(c1)C[N@@H+]([C@@H]1Cc3ccc([N+](=O)[O-])cc3C1)CC2 ZINC001254600626 1106110924 /nfs/dbraw/zinc/11/09/24/1106110924.db2.gz TWPMMQYBFAKANO-LJQANCHMSA-N 1 1 308.381 3.429 20 5 DGBDMO O=[N+]([O-])c1ccc2c(c1)C[C@H]([N@H+]1CCC[C@H](c3ccccn3)C1)C2 ZINC001254599462 1106110933 /nfs/dbraw/zinc/11/09/33/1106110933.db2.gz LTQRHEKHNTYCSC-MAUKXSAKSA-N 1 1 323.396 3.337 20 5 DGBDMO C[N@@H+](CCc1ccc(F)cc1)[C@H]1Cc2ccc([N+](=O)[O-])cc2C1 ZINC001254602571 1106111779 /nfs/dbraw/zinc/11/17/79/1106111779.db2.gz GLRYRZHBULUIQS-SFHVURJKSA-N 1 1 314.360 3.376 20 5 DGBDMO C[N@@H+](Cc1ccc(Cl)nc1)[C@@H]1Cc2ccc([N+](=O)[O-])cc2C1 ZINC001254602844 1106111795 /nfs/dbraw/zinc/11/17/95/1106111795.db2.gz JFLKFNMQPJCJMU-OAHLLOKOSA-N 1 1 317.776 3.242 20 5 DGBDMO C/C(=C/c1cccc([N+](=O)[O-])c1)C[N@H+]1CCC[C@@](C)(CO)C1 ZINC001320643804 1107085398 /nfs/dbraw/zinc/08/53/98/1107085398.db2.gz QGEBXQBQFFCELU-CRPZLVSXSA-N 1 1 304.390 3.093 20 5 DGBDMO O=[N+]([O-])c1ccc2cnn(C[N@H+]3CC[C@H]4CCCC[C@H]4C3)c2c1 ZINC001317668140 1107587253 /nfs/dbraw/zinc/58/72/53/1107587253.db2.gz OCIZOKIDCCTYEW-HIFRSBDPSA-N 1 1 314.389 3.414 20 5 DGBDMO C[N@H+](CCCF)Cc1ccc([N+](=O)[O-])cc1Br ZINC001262078325 1107605043 /nfs/dbraw/zinc/60/50/43/1107605043.db2.gz FGNKVOXMAKGXPM-UHFFFAOYSA-N 1 1 305.147 3.149 20 5 DGBDMO C[N@@H+](CCCF)Cc1ccc([N+](=O)[O-])cc1Br ZINC001262078325 1107605049 /nfs/dbraw/zinc/60/50/49/1107605049.db2.gz FGNKVOXMAKGXPM-UHFFFAOYSA-N 1 1 305.147 3.149 20 5 DGBDMO O=[N+]([O-])c1ccc2c(cnn2C[N@H+]2CC[C@H]3CCCC[C@@H]3C2)c1 ZINC001324990908 1108551982 /nfs/dbraw/zinc/55/19/82/1108551982.db2.gz UOCHCYBKHQWYFL-ZIAGYGMSSA-N 1 1 314.389 3.414 20 5 DGBDMO Cc1cc(NC[C@H]2CCC[N@@H+]2C)c([N+](=O)[O-])cc1C(F)(F)F ZINC001307166128 1111273010 /nfs/dbraw/zinc/27/30/10/1111273010.db2.gz HHNOIPXLCBGPIU-SNVBAGLBSA-N 1 1 317.311 3.428 20 5 DGBDMO C[C@@H](C(=O)Nc1ccc([N+](=O)[O-])cc1)[N@H+]1C[C@@H](C)CC(C)(C)C1 ZINC001307606982 1111319064 /nfs/dbraw/zinc/31/90/64/1111319064.db2.gz VRIWXECSTVNOOT-STQMWFEESA-N 1 1 319.405 3.290 20 5 DGBDMO C[C@@H]1C[N@@H+](CCOc2ccc([N+](=O)[O-])cc2)[C@H]2CCCC[C@@H]12 ZINC001307603808 1111319116 /nfs/dbraw/zinc/31/91/16/1111319116.db2.gz PXCLJRLTXGGVJM-COXVUDFISA-N 1 1 304.390 3.484 20 5 DGBDMO Cc1ccc(C[N@@H+](CCn2ccc([N+](=O)[O-])n2)C(C)(C)C)cc1 ZINC001307951652 1111359298 /nfs/dbraw/zinc/35/92/98/1111359298.db2.gz HWPYKQPIPZORBY-UHFFFAOYSA-N 1 1 316.405 3.400 20 5 DGBDMO CCOc1ccc([C@H](C)[NH2+][C@H](C)c2ccn(C)n2)cc1[N+](=O)[O-] ZINC000414168925 230701352 /nfs/dbraw/zinc/70/13/52/230701352.db2.gz ARNINARIBKBIOS-NWDGAFQWSA-N 1 1 318.377 3.139 20 5 DGBDMO CC[C@]1(C)CCC[N@H+](Cc2nc3cc([N+](=O)[O-])ccc3[nH]2)C1 ZINC000444652359 529395316 /nfs/dbraw/zinc/39/53/16/529395316.db2.gz RNUPQIINQDVCBA-MRXNPFEDSA-N 1 1 302.378 3.483 20 5 DGBDMO CC[C@]1(C)CCC[N@@H+](Cc2nc3cc([N+](=O)[O-])ccc3[nH]2)C1 ZINC000444652359 529395319 /nfs/dbraw/zinc/39/53/19/529395319.db2.gz RNUPQIINQDVCBA-MRXNPFEDSA-N 1 1 302.378 3.483 20 5 DGBDMO Cc1ncc(C[NH2+][C@H]2CCCCc3ccc([N+](=O)[O-])cc32)o1 ZINC000417368914 282156028 /nfs/dbraw/zinc/15/60/28/282156028.db2.gz OZYZPISDJCQUCF-INIZCTEOSA-N 1 1 301.346 3.449 20 5 DGBDMO O=[N+]([O-])c1cc(Cl)ccc1C[N@@H+]1CCC[C@@H]1[C@H]1CCC[C@@H]1O ZINC000318512323 231171001 /nfs/dbraw/zinc/17/10/01/231171001.db2.gz YHJZKVSZDFBIDP-FMKPAKJESA-N 1 1 324.808 3.374 20 5 DGBDMO O=[N+]([O-])c1cccc2c(N[C@H]3CC[N@H+]4CCC[C@@H]4C3)ccnc21 ZINC000322148669 231208530 /nfs/dbraw/zinc/20/85/30/231208530.db2.gz KUGBRCBTTLGTRT-QWHCGFSZSA-N 1 1 312.373 3.182 20 5 DGBDMO CC[C@@]1(C)CCC[N@H+](Cc2nc3cc([N+](=O)[O-])ccc3[nH]2)C1 ZINC000444652358 529524038 /nfs/dbraw/zinc/52/40/38/529524038.db2.gz RNUPQIINQDVCBA-INIZCTEOSA-N 1 1 302.378 3.483 20 5 DGBDMO CC[C@@]1(C)CCC[N@@H+](Cc2nc3cc([N+](=O)[O-])ccc3[nH]2)C1 ZINC000444652358 529524040 /nfs/dbraw/zinc/52/40/40/529524040.db2.gz RNUPQIINQDVCBA-INIZCTEOSA-N 1 1 302.378 3.483 20 5 DGBDMO COCC[N@H+](C/C=C/c1ccccc1[N+](=O)[O-])Cc1ccco1 ZINC000092561627 185325911 /nfs/dbraw/zinc/32/59/11/185325911.db2.gz GRUPNCXJZFNTNS-QPJJXVBHSA-N 1 1 316.357 3.350 20 5 DGBDMO COCC[N@@H+](C/C=C/c1ccccc1[N+](=O)[O-])Cc1ccco1 ZINC000092561627 185325912 /nfs/dbraw/zinc/32/59/12/185325912.db2.gz GRUPNCXJZFNTNS-QPJJXVBHSA-N 1 1 316.357 3.350 20 5 DGBDMO Cc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@H+](C)CC1CCCC1 ZINC000064020634 432007632 /nfs/dbraw/zinc/00/76/32/432007632.db2.gz QGLQGUPABYBHBQ-UHFFFAOYSA-N 1 1 319.405 3.354 20 5 DGBDMO O=[N+]([O-])c1ccccc1/C=C/C[N@@H+](C[C@H]1CCOC1)C1CC1 ZINC000129921215 432010608 /nfs/dbraw/zinc/01/06/08/432010608.db2.gz OEZMTDWKMVNHDH-LYKUJDHUSA-N 1 1 302.374 3.109 20 5 DGBDMO Cc1c([C@H](C)NC[C@@H]2CC[N@@H+](C3CC3)C2)cccc1[N+](=O)[O-] ZINC000152427859 186071678 /nfs/dbraw/zinc/07/16/78/186071678.db2.gz CRBMGMQMYRQPCZ-KBPBESRZSA-N 1 1 303.406 3.038 20 5 DGBDMO Cc1c([C@H](C)NC[C@@H]2CC[N@H+](C3CC3)C2)cccc1[N+](=O)[O-] ZINC000152427859 186071680 /nfs/dbraw/zinc/07/16/80/186071680.db2.gz CRBMGMQMYRQPCZ-KBPBESRZSA-N 1 1 303.406 3.038 20 5 DGBDMO CCOc1ccc([C@@H](C)[NH2+]C2CCN(CC)CC2)cc1[N+](=O)[O-] ZINC000152626029 186091405 /nfs/dbraw/zinc/09/14/05/186091405.db2.gz RVBBLUFBJSYDDP-CYBMUJFWSA-N 1 1 321.421 3.128 20 5 DGBDMO CC1(C)COCC[N@@H+]1Cc1ccc(-c2ccc([N+](=O)[O-])cc2)o1 ZINC000130874099 432030589 /nfs/dbraw/zinc/03/05/89/432030589.db2.gz MJEDIAUPZGHCBT-UHFFFAOYSA-N 1 1 316.357 3.466 20 5 DGBDMO CC1(C)COCC[N@H+]1Cc1ccc(-c2ccc([N+](=O)[O-])cc2)o1 ZINC000130874099 432030591 /nfs/dbraw/zinc/03/05/91/432030591.db2.gz MJEDIAUPZGHCBT-UHFFFAOYSA-N 1 1 316.357 3.466 20 5 DGBDMO C[N@H+](CCc1nccs1)Cc1cc([N+](=O)[O-])ccc1Cl ZINC000179079697 432039936 /nfs/dbraw/zinc/03/99/36/432039936.db2.gz ZERDVQACJNHRIG-UHFFFAOYSA-N 1 1 311.794 3.379 20 5 DGBDMO C[N@@H+](CCc1nccs1)Cc1cc([N+](=O)[O-])ccc1Cl ZINC000179079697 432039939 /nfs/dbraw/zinc/03/99/39/432039939.db2.gz ZERDVQACJNHRIG-UHFFFAOYSA-N 1 1 311.794 3.379 20 5 DGBDMO CCOc1cc(C[N@@H+](C)CCc2ccncc2)ccc1[N+](=O)[O-] ZINC000276976154 213214291 /nfs/dbraw/zinc/21/42/91/213214291.db2.gz XTHJMRXQAHTHOL-UHFFFAOYSA-N 1 1 315.373 3.063 20 5 DGBDMO COCc1ccc(C[N@H+](C)Cc2ccccc2[N+](=O)[O-])cc1 ZINC000179315526 199014307 /nfs/dbraw/zinc/01/43/07/199014307.db2.gz POGGANFRDHSHOZ-UHFFFAOYSA-N 1 1 300.358 3.373 20 5 DGBDMO COCc1ccc(C[N@@H+](C)Cc2ccccc2[N+](=O)[O-])cc1 ZINC000179315526 199014310 /nfs/dbraw/zinc/01/43/10/199014310.db2.gz POGGANFRDHSHOZ-UHFFFAOYSA-N 1 1 300.358 3.373 20 5 DGBDMO C[N@@H+](Cc1ccc(Cl)cc1[N+](=O)[O-])[C@H](CO)C(C)(C)C ZINC000134443951 432077541 /nfs/dbraw/zinc/07/75/41/432077541.db2.gz MAJOCDAFQYQENN-CYBMUJFWSA-N 1 1 300.786 3.087 20 5 DGBDMO O=[N+]([O-])c1cccc(-c2noc(C[N@@H+]3CCCC4(CC4)C3)n2)c1 ZINC000186999382 200045214 /nfs/dbraw/zinc/04/52/14/200045214.db2.gz UWLCCAUQRWBBHR-UHFFFAOYSA-N 1 1 314.345 3.021 20 5 DGBDMO O=[N+]([O-])c1cccc(-c2noc(C[N@H+]3CCCC4(CC4)C3)n2)c1 ZINC000186999382 200045216 /nfs/dbraw/zinc/04/52/16/200045216.db2.gz UWLCCAUQRWBBHR-UHFFFAOYSA-N 1 1 314.345 3.021 20 5 DGBDMO Cc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@H+]1CCCC2(CC2)C1 ZINC000187009594 200047404 /nfs/dbraw/zinc/04/74/04/200047404.db2.gz JVAVSRFZMOSOMD-UHFFFAOYSA-N 1 1 317.389 3.108 20 5 DGBDMO C[C@@H](C(=O)Nc1ccccc1[N+](=O)[O-])[N@H+]1CCCC[C@@H](C)C1 ZINC000187918744 200176559 /nfs/dbraw/zinc/17/65/59/200176559.db2.gz YAYILPBVFDFVRY-OLZOCXBDSA-N 1 1 305.378 3.044 20 5 DGBDMO C[C@H](c1ccccc1[N+](=O)[O-])N1CC[N@H+]([C@H]2C[C@@H]2C)C[C@H](C)C1 ZINC000428997447 238037384 /nfs/dbraw/zinc/03/73/84/238037384.db2.gz CMSWLDOVWUEZAY-FSZRXZPDSA-N 1 1 317.433 3.318 20 5 DGBDMO C[C@H](c1cccc([N+](=O)[O-])c1)N1CC[N@H+]([C@@H]2C[C@@H]2C)C[C@H](C)C1 ZINC000429014871 238038567 /nfs/dbraw/zinc/03/85/67/238038567.db2.gz ZNLCVQBYHIQKOP-BASYENTBSA-N 1 1 317.433 3.318 20 5 DGBDMO Cc1c(CN2CC[N@H+]([C@@H]3C[C@@H]3C)C[C@H](C)C2)cccc1[N+](=O)[O-] ZINC000429030865 238039164 /nfs/dbraw/zinc/03/91/64/238039164.db2.gz RYVULNDZTHURQM-QWQRMKEZSA-N 1 1 317.433 3.065 20 5 DGBDMO Cc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@H+](C)[C@H]1CC[C@@H](C)C1 ZINC000429582110 238055713 /nfs/dbraw/zinc/05/57/13/238055713.db2.gz ZIRYYWWVSXIZHU-OCCSQVGLSA-N 1 1 319.405 3.352 20 5 DGBDMO COc1cc([N+](=O)[O-])ccc1C[NH+]1CCC(C(F)(F)F)CC1 ZINC000430232582 238071667 /nfs/dbraw/zinc/07/16/67/238071667.db2.gz HCGWBCGFUBCXKC-UHFFFAOYSA-N 1 1 318.295 3.378 20 5 DGBDMO C[C@]1(CCCO)CCC[N@H+]1Cc1ccc(Cl)c([N+](=O)[O-])c1 ZINC000272027888 209398347 /nfs/dbraw/zinc/39/83/47/209398347.db2.gz OEMHAGCJZVJXBD-OAHLLOKOSA-N 1 1 312.797 3.375 20 5 DGBDMO O=[N+]([O-])c1cccnc1NC[C@@H]1CCC[N@H+]1C1CCCCC1 ZINC000435582296 238321282 /nfs/dbraw/zinc/32/12/82/238321282.db2.gz CNYJLVGPFJCUQX-AWEZNQCLSA-N 1 1 304.394 3.199 20 5 DGBDMO CCOc1ccc([N+](=O)[O-])cc1C[N@H+]1CC[C@H](OC)C(C)(C)C1 ZINC000449504894 240252964 /nfs/dbraw/zinc/25/29/64/240252964.db2.gz WONUJQMFXMPURM-INIZCTEOSA-N 1 1 322.405 3.240 20 5 DGBDMO O=[N+]([O-])c1ccc(C[N@H+]2CCC[C@@]3(CCSC3)C2)c(F)c1 ZINC000449733180 240386480 /nfs/dbraw/zinc/38/64/80/240386480.db2.gz NYYVTLSJOBWYLE-OAHLLOKOSA-N 1 1 310.394 3.453 20 5 DGBDMO C[C@@H]1CC[N@@H+](Cc2cn(C)nc2-c2ccc([N+](=O)[O-])cc2)[C@@H]1C ZINC000091859263 193119248 /nfs/dbraw/zinc/11/92/48/193119248.db2.gz DMUMUXOINANPEP-CHWSQXEVSA-N 1 1 314.389 3.226 20 5 DGBDMO C[C@@H]1C[C@@H](c2ccccc2)[C@@H](C)[N@H+]1Cc1c([N+](=O)[O-])ncn1C ZINC000451187261 241038666 /nfs/dbraw/zinc/03/86/66/241038666.db2.gz PDEPBNQUMFGEPF-UMVBOHGHSA-N 1 1 314.389 3.095 20 5 DGBDMO Cc1cnc(C[N@@H+]2CCC[C@H](c3ccc([N+](=O)[O-])cc3)C2)o1 ZINC000451544042 241164613 /nfs/dbraw/zinc/16/46/13/241164613.db2.gz DCWXXZOHPQSNLU-AWEZNQCLSA-N 1 1 301.346 3.271 20 5 DGBDMO Cc1cnc(C[N@H+]2CCC[C@H](c3ccc([N+](=O)[O-])cc3)C2)o1 ZINC000451544042 241164617 /nfs/dbraw/zinc/16/46/17/241164617.db2.gz DCWXXZOHPQSNLU-AWEZNQCLSA-N 1 1 301.346 3.271 20 5 DGBDMO O=[N+]([O-])c1ccc([C@H]2CCC[N@@H+](CCOCC3CC3)C2)cc1 ZINC000451548097 241167748 /nfs/dbraw/zinc/16/77/48/241167748.db2.gz MQYHIKRZDUWAFD-INIZCTEOSA-N 1 1 304.390 3.201 20 5 DGBDMO Cc1nnc(C[N@@H+]2CCC[C@@H](c3ccc([N+](=O)[O-])cc3)C2)s1 ZINC000451553644 241170636 /nfs/dbraw/zinc/17/06/36/241170636.db2.gz YHBXVLTZHOEQNZ-CYBMUJFWSA-N 1 1 318.402 3.134 20 5 DGBDMO Cc1nnc(C[N@H+]2CCC[C@@H](c3ccc([N+](=O)[O-])cc3)C2)s1 ZINC000451553644 241170640 /nfs/dbraw/zinc/17/06/40/241170640.db2.gz YHBXVLTZHOEQNZ-CYBMUJFWSA-N 1 1 318.402 3.134 20 5 DGBDMO COc1ccc([N+](=O)[O-])cc1C[N@H+]1CCC[C@@]2(CCSC2)C1 ZINC000451967930 241288228 /nfs/dbraw/zinc/28/82/28/241288228.db2.gz RUESGGYRFRWOKP-MRXNPFEDSA-N 1 1 322.430 3.323 20 5 DGBDMO Cc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@H+]1[C@H](C)CCC1(C)C ZINC000452015896 241299225 /nfs/dbraw/zinc/29/92/25/241299225.db2.gz VVMMTSNVTMXFKC-CYBMUJFWSA-N 1 1 319.405 3.495 20 5 DGBDMO O=[N+]([O-])c1cccc(Cl)c1C[N@H+](CCO)C1CCCCC1 ZINC000107904877 284057674 /nfs/dbraw/zinc/05/76/74/284057674.db2.gz TYVGSYFYFPDBDS-UHFFFAOYSA-N 1 1 312.797 3.375 20 5 DGBDMO C/C(=C\c1cccc([N+](=O)[O-])c1)CN1CC[C@@H]2CC[N@H+](C)C[C@@H]21 ZINC000470200601 244158694 /nfs/dbraw/zinc/15/86/94/244158694.db2.gz CADBISOUQFWTIP-WJANQJKRSA-N 1 1 315.417 3.024 20 5 DGBDMO C/C(=C\c1cccc([N+](=O)[O-])c1)C[N@H+]1CC[C@@H]2CCN(C)C[C@@H]21 ZINC000470200601 244158699 /nfs/dbraw/zinc/15/86/99/244158699.db2.gz CADBISOUQFWTIP-WJANQJKRSA-N 1 1 315.417 3.024 20 5 DGBDMO C/C(=C\c1cccc([N+](=O)[O-])c1)C[N@@H+]1CC[C@@H]2CCN(C)C[C@@H]21 ZINC000470200601 244158700 /nfs/dbraw/zinc/15/87/00/244158700.db2.gz CADBISOUQFWTIP-WJANQJKRSA-N 1 1 315.417 3.024 20 5 DGBDMO O=[N+]([O-])c1cccc(-c2cnc(CC[N@H+]3C[C@H]4CCC[C@H]43)o2)c1 ZINC000472562120 244309754 /nfs/dbraw/zinc/30/97/54/244309754.db2.gz HBXZLDLABHURQY-UKRRQHHQSA-N 1 1 313.357 3.277 20 5 DGBDMO C[C@@H]1OCC[N@H+](Cc2ccc(-c3ccccc3[N+](=O)[O-])o2)[C@H]1C ZINC000093418124 193248234 /nfs/dbraw/zinc/24/82/34/193248234.db2.gz GKVUGBPAKPFTTQ-STQMWFEESA-N 1 1 316.357 3.464 20 5 DGBDMO C[C@@H]1OCC[N@@H+](Cc2ccc(-c3ccccc3[N+](=O)[O-])o2)[C@H]1C ZINC000093418124 193248235 /nfs/dbraw/zinc/24/82/35/193248235.db2.gz GKVUGBPAKPFTTQ-STQMWFEESA-N 1 1 316.357 3.464 20 5 DGBDMO C[C@H]1OCC[N@H+](Cc2ccc(-c3ccccc3[N+](=O)[O-])o2)[C@H]1C ZINC000093418126 193248789 /nfs/dbraw/zinc/24/87/89/193248789.db2.gz GKVUGBPAKPFTTQ-QWHCGFSZSA-N 1 1 316.357 3.464 20 5 DGBDMO C[C@H]1OCC[N@@H+](Cc2ccc(-c3ccccc3[N+](=O)[O-])o2)[C@H]1C ZINC000093418126 193248790 /nfs/dbraw/zinc/24/87/90/193248790.db2.gz GKVUGBPAKPFTTQ-QWHCGFSZSA-N 1 1 316.357 3.464 20 5 DGBDMO CC(C)c1ccc(C[N@@H+]2CCC[C@@H]2C[C@@H](C)O)cc1[N+](=O)[O-] ZINC000093482741 193258333 /nfs/dbraw/zinc/25/83/33/193258333.db2.gz GFBNFFRROAJBOA-UKRRQHHQSA-N 1 1 306.406 3.454 20 5 DGBDMO CCC[N@@H+](C)C[C@@H]1CCN(Cc2ccc(C)c([N+](=O)[O-])c2)C1 ZINC000093742099 193298720 /nfs/dbraw/zinc/29/87/20/193298720.db2.gz BNRBFSXPHXXKPU-INIZCTEOSA-N 1 1 305.422 3.067 20 5 DGBDMO Cc1ccc(C[N@H+](C)[C@@H]2CCCc3c2cnn3C)cc1[N+](=O)[O-] ZINC000093863897 193319364 /nfs/dbraw/zinc/31/93/64/193319364.db2.gz ZLQAASSMVXWPOF-OAHLLOKOSA-N 1 1 314.389 3.146 20 5 DGBDMO CCC[C@@H]([NH2+]C[C@@H]1CCCN(C)C1)c1cccc([N+](=O)[O-])c1 ZINC000121211877 284191309 /nfs/dbraw/zinc/19/13/09/284191309.db2.gz IUWMMRAFSUEMDI-WMLDXEAASA-N 1 1 305.422 3.367 20 5 DGBDMO CCC[C@@H](NC[C@@H]1CCC[N@H+](C)C1)c1cccc([N+](=O)[O-])c1 ZINC000121211877 284191311 /nfs/dbraw/zinc/19/13/11/284191311.db2.gz IUWMMRAFSUEMDI-WMLDXEAASA-N 1 1 305.422 3.367 20 5 DGBDMO CCC[C@@H](NC[C@@H]1CCC[N@@H+](C)C1)c1cccc([N+](=O)[O-])c1 ZINC000121211877 284191314 /nfs/dbraw/zinc/19/13/14/284191314.db2.gz IUWMMRAFSUEMDI-WMLDXEAASA-N 1 1 305.422 3.367 20 5 DGBDMO CC[C@@H]1C[N@H+](Cc2ccc(-c3ccccc3[N+](=O)[O-])o2)CCO1 ZINC000125556038 284278469 /nfs/dbraw/zinc/27/84/69/284278469.db2.gz XBXWJDJKZZUFMJ-CYBMUJFWSA-N 1 1 316.357 3.466 20 5 DGBDMO CC[C@@H]1C[N@@H+](Cc2ccc(-c3ccccc3[N+](=O)[O-])o2)CCO1 ZINC000125556038 284278472 /nfs/dbraw/zinc/27/84/72/284278472.db2.gz XBXWJDJKZZUFMJ-CYBMUJFWSA-N 1 1 316.357 3.466 20 5 DGBDMO CC[C@H](N[C@@H]1CC[N@H+]2CCCC[C@H]12)c1cccc([N+](=O)[O-])c1 ZINC000268775127 432131295 /nfs/dbraw/zinc/13/12/95/432131295.db2.gz NMSSVPCCDBGELC-GVDBMIGSSA-N 1 1 303.406 3.262 20 5 DGBDMO CC[C@H]([NH2+][C@@H]1CCN2CCCC[C@H]12)c1cccc([N+](=O)[O-])c1 ZINC000268775127 432131300 /nfs/dbraw/zinc/13/13/00/432131300.db2.gz NMSSVPCCDBGELC-GVDBMIGSSA-N 1 1 303.406 3.262 20 5 DGBDMO COC(=O)Nc1cccc(C[NH2+]Cc2csc([N+](=O)[O-])c2)c1 ZINC000495683981 246295725 /nfs/dbraw/zinc/29/57/25/246295725.db2.gz ALZXSZQLMIVSSC-UHFFFAOYSA-N 1 1 321.358 3.124 20 5 DGBDMO CCOc1cccc(NCCCCn2cc[nH+]c2C)c1[N+](=O)[O-] ZINC000184123023 284742414 /nfs/dbraw/zinc/74/24/14/284742414.db2.gz KBDKNRZUXRAYLB-UHFFFAOYSA-N 1 1 318.377 3.391 20 5 DGBDMO C[N@H+](CCc1cccc([N+](=O)[O-])c1)CC[C@@H](O)c1ccccc1 ZINC000285171971 218317627 /nfs/dbraw/zinc/31/76/27/218317627.db2.gz CQLJMRNCRJAIGW-GOSISDBHSA-N 1 1 314.385 3.193 20 5 DGBDMO C[N@H+]1CCC[C@H]2CN(Cc3cc(Cl)ccc3[N+](=O)[O-])CC[C@H]21 ZINC000269003515 207159271 /nfs/dbraw/zinc/15/92/71/207159271.db2.gz PXLMMPJVKYKLIJ-SWLSCSKDSA-N 1 1 323.824 3.164 20 5 DGBDMO O=[N+]([O-])c1ccc(C[N@@H+](Cc2ccco2)C[C@@H]2CCCO2)cc1 ZINC000060038869 184143481 /nfs/dbraw/zinc/14/34/81/184143481.db2.gz AZEMEKHKSZQCLV-KRWDZBQOSA-N 1 1 316.357 3.369 20 5 DGBDMO O=[N+]([O-])c1ccc(C[N@H+](Cc2ccco2)C[C@@H]2CCCO2)cc1 ZINC000060038869 184143483 /nfs/dbraw/zinc/14/34/83/184143483.db2.gz AZEMEKHKSZQCLV-KRWDZBQOSA-N 1 1 316.357 3.369 20 5 DGBDMO Cc1c(NC(=O)CC[N@H+](CC(C)C)C2CC2)cccc1[N+](=O)[O-] ZINC000063493190 184283498 /nfs/dbraw/zinc/28/34/98/184283498.db2.gz KXNQHFZDKKZBSU-UHFFFAOYSA-N 1 1 319.405 3.352 20 5 DGBDMO C[C@H]1CC[N@@H+](Cc2ccc(-c3ccccc3[N+](=O)[O-])o2)[C@H]1CO ZINC000249100711 285055688 /nfs/dbraw/zinc/05/56/88/285055688.db2.gz PLCXXMGRVNPCOJ-LRDDRELGSA-N 1 1 316.357 3.058 20 5 DGBDMO O=[N+]([O-])c1c(F)cccc1N1CC[C@@H]2[C@H](CCC[N@H+]2C2CC2)C1 ZINC000161922781 285077168 /nfs/dbraw/zinc/07/71/68/285077168.db2.gz DABQEYTZVZITNE-IUODEOHRSA-N 1 1 319.380 3.187 20 5 DGBDMO C[C@@H]1C[C@@H](Nc2ccc3ncccc3c2[N+](=O)[O-])CC[N@H+]1C ZINC000336853667 253008091 /nfs/dbraw/zinc/00/80/91/253008091.db2.gz JWIAJVROKPJFSW-NEPJUHHUSA-N 1 1 300.362 3.038 20 5 DGBDMO C[C@@H]1C[C@@H](Nc2ccc([N+](=O)[O-])c3ncccc23)CC[N@H+]1C ZINC000336854807 253008959 /nfs/dbraw/zinc/00/89/59/253008959.db2.gz RTLFJRGMBOPLKN-NEPJUHHUSA-N 1 1 300.362 3.038 20 5 DGBDMO CC[C@H]1C[C@@]1([NH2+]Cc1c([N+](=O)[O-])ncn1C)c1cccc(C)c1 ZINC000337425959 253113767 /nfs/dbraw/zinc/11/37/67/253113767.db2.gz SLPDIAQJIAZWGS-GUYCJALGSA-N 1 1 314.389 3.052 20 5 DGBDMO CC[N@@H+](CCC(=O)Nc1ccccc1[N+](=O)[O-])[C@@H](C)C(C)C ZINC000337345178 253092472 /nfs/dbraw/zinc/09/24/72/253092472.db2.gz ZYWAXVGEWUUMDD-ZDUSSCGKSA-N 1 1 307.394 3.290 20 5 DGBDMO O=[N+]([O-])c1cc(F)ccc1N1CC[C@@H]2[C@H](CCC[N@H+]2C2CC2)C1 ZINC000161871142 285095914 /nfs/dbraw/zinc/09/59/14/285095914.db2.gz IOUYHBAJYXAWSP-IUODEOHRSA-N 1 1 319.380 3.187 20 5 DGBDMO COc1ccc([N+](=O)[O-])c(NC[C@@H]2CCCC[N@H+]2C2CC2)c1 ZINC000338709362 253338907 /nfs/dbraw/zinc/33/89/07/253338907.db2.gz LRLXJMNXHPBXIH-ZDUSSCGKSA-N 1 1 305.378 3.032 20 5 DGBDMO O=[N+]([O-])c1ccc([O-])cc1C[N@H+]1CC[C@H](c2cccc(F)c2)C1 ZINC000338962428 253380456 /nfs/dbraw/zinc/38/04/56/253380456.db2.gz HDOGWLHLHISQJL-ZDUSSCGKSA-N 1 1 316.332 3.429 20 5 DGBDMO O=[N+]([O-])c1ccc([O-])cc1CN1CC[C@H](c2cccc(F)c2)C1 ZINC000338962428 253380459 /nfs/dbraw/zinc/38/04/59/253380459.db2.gz HDOGWLHLHISQJL-ZDUSSCGKSA-N 1 1 316.332 3.429 20 5 DGBDMO O=[N+]([O-])c1ccc(N2CCC[C@H](c3[nH]cc[nH+]3)C2)c2cccnc21 ZINC000413118316 285124742 /nfs/dbraw/zinc/12/47/42/285124742.db2.gz KZIMDKGFLSEJPD-LBPRGKRZSA-N 1 1 323.356 3.250 20 5 DGBDMO O=[N+]([O-])c1cccc(Cl)c1C[N@H+]1CC[C@]2(C1)CCCOC2 ZINC000341990040 285154532 /nfs/dbraw/zinc/15/45/32/285154532.db2.gz LGUNSXMZLMWJDQ-HNNXBMFYSA-N 1 1 310.781 3.251 20 5 DGBDMO O=[N+]([O-])c1cnn(CC[N@H+]2CCC[C@H]2c2ccccc2Cl)c1 ZINC000157735845 197212028 /nfs/dbraw/zinc/21/20/28/197212028.db2.gz VSHQYBPWYJAQRG-HNNXBMFYSA-N 1 1 320.780 3.282 20 5 DGBDMO CC[C@H](C)C[N@@H+](CC)[C@@H](C)C(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000343682063 254177512 /nfs/dbraw/zinc/17/75/12/254177512.db2.gz HSVALVJFTACTFC-STQMWFEESA-N 1 1 307.394 3.290 20 5 DGBDMO C[C@H](C(=O)Nc1cccc([N+](=O)[O-])c1)[N@@H+](C)C[C@@H]1CC=CCC1 ZINC000344032907 254215842 /nfs/dbraw/zinc/21/58/42/254215842.db2.gz FDONCBYYWKMERV-ZIAGYGMSSA-N 1 1 317.389 3.210 20 5 DGBDMO CC[C@]1(C)CC[N@H+]([C@H](C)C(=O)Nc2cccc([N+](=O)[O-])c2C)C1 ZINC000344212474 254239792 /nfs/dbraw/zinc/23/97/92/254239792.db2.gz DEPDBFBOBQNTPC-CXAGYDPISA-N 1 1 319.405 3.352 20 5 DGBDMO CC[C@]1(C)CC[N@H+]([C@H](C)C(=O)Nc2ccc([N+](=O)[O-])cc2)C1 ZINC000344230258 254242036 /nfs/dbraw/zinc/24/20/36/254242036.db2.gz JDEHVMSQEPIFQD-MLGOLLRUSA-N 1 1 305.378 3.044 20 5 DGBDMO C[C@H](C(=O)Nc1ccc([N+](=O)[O-])cc1)[N@H+]1CCC[C@@H](C2CC2)C1 ZINC000344001333 254211267 /nfs/dbraw/zinc/21/12/67/254211267.db2.gz YLUPZYRCPYNTCH-TZMCWYRMSA-N 1 1 317.389 3.044 20 5 DGBDMO Cc1ccc(NC(=O)[C@H](C)[N@@H+]2[C@H](C)CC[C@@H]2C)cc1[N+](=O)[O-] ZINC000120492975 195177358 /nfs/dbraw/zinc/17/73/58/195177358.db2.gz MRLPDIJQGFZFNB-XQQFMLRXSA-N 1 1 305.378 3.103 20 5 DGBDMO C[C@@H](CO)[N@@H+](C)Cc1ccc(-c2ccc([N+](=O)[O-])cc2Cl)o1 ZINC000289496871 221018226 /nfs/dbraw/zinc/01/82/26/221018226.db2.gz SJGIWMPVCGOUTA-JTQLQIEISA-N 1 1 324.764 3.321 20 5 DGBDMO CCc1ncc(C[N@@H+](C)CCc2ccccc2[N+](=O)[O-])s1 ZINC000289550065 221059465 /nfs/dbraw/zinc/05/94/65/221059465.db2.gz RBBQAKJPZWRCGT-UHFFFAOYSA-N 1 1 305.403 3.288 20 5 DGBDMO O=[N+]([O-])c1ccccc1C[N@@H+]1CC2(CCC2)[C@H]1[C@H]1CCCO1 ZINC000289647208 221127672 /nfs/dbraw/zinc/12/76/72/221127672.db2.gz SUULGFDOTCJORI-HZPDHXFCSA-N 1 1 302.374 3.128 20 5 DGBDMO O=[N+]([O-])c1ccccc1C[N@H+]1CC2(CCC2)[C@H]1[C@H]1CCCO1 ZINC000289647208 221127674 /nfs/dbraw/zinc/12/76/74/221127674.db2.gz SUULGFDOTCJORI-HZPDHXFCSA-N 1 1 302.374 3.128 20 5 DGBDMO CCn1nc(C)c(C[N@@H+](C)CCc2ccccc2[N+](=O)[O-])c1C ZINC000289672766 221144407 /nfs/dbraw/zinc/14/44/07/221144407.db2.gz ZHCIEWVAZQCFQT-UHFFFAOYSA-N 1 1 316.405 3.103 20 5 DGBDMO C[N@@H+](Cc1ccc(-c2ccc([N+](=O)[O-])cc2)o1)[C@@H]1CCC[C@H]1O ZINC000289828609 221251572 /nfs/dbraw/zinc/25/15/72/221251572.db2.gz UFWLPPHTOLGEFI-HZPDHXFCSA-N 1 1 316.357 3.200 20 5 DGBDMO COc1cncc(C[N@@H+](Cc2ccc([N+](=O)[O-])cc2)C(C)C)c1 ZINC000289831188 221255632 /nfs/dbraw/zinc/25/56/32/221255632.db2.gz AMKYCXXIVCCBEW-UHFFFAOYSA-N 1 1 315.373 3.409 20 5 DGBDMO CC[N@@H+](CCCO)Cc1cc(Cl)cc(Cl)c1[N+](=O)[O-] ZINC000289889772 221295827 /nfs/dbraw/zinc/29/58/27/221295827.db2.gz MHGHHDGLSVTCMP-UHFFFAOYSA-N 1 1 307.177 3.106 20 5 DGBDMO C[C@H](c1ccccc1[N+](=O)[O-])N1CC[N@H+](C2CC2)C[C@@H](C)C1 ZINC000294950764 224333441 /nfs/dbraw/zinc/33/34/41/224333441.db2.gz ATIZOKHAKJCJSP-UONOGXRCSA-N 1 1 303.406 3.072 20 5 DGBDMO CC(=Cc1cccc([N+](=O)[O-])c1)C[NH2+]Cc1nnc(C(C)C)[nH]1 ZINC000449405195 533408950 /nfs/dbraw/zinc/40/89/50/533408950.db2.gz JAPPRJLPWGHVKN-KPKJPENVSA-N 1 1 315.377 3.029 20 5 DGBDMO C/C(=C\c1cccc([N+](=O)[O-])c1)C[NH2+][C@@H]1CCN(C)[C@@H](C)C1 ZINC000468650666 533410474 /nfs/dbraw/zinc/41/04/74/533410474.db2.gz VFKCSVCJGLXUJR-POPWGMBXSA-N 1 1 303.406 3.070 20 5 DGBDMO COc1ccc(C[N@H+](C)Cc2ccc([N+](=O)[O-])cc2OC)cc1 ZINC000430208465 533542425 /nfs/dbraw/zinc/54/24/25/533542425.db2.gz BMVSCIHBVNOAAD-UHFFFAOYSA-N 1 1 316.357 3.244 20 5 DGBDMO COc1ccc(C[N@@H+](C)Cc2ccc([N+](=O)[O-])cc2OC)cc1 ZINC000430208465 533542433 /nfs/dbraw/zinc/54/24/33/533542433.db2.gz BMVSCIHBVNOAAD-UHFFFAOYSA-N 1 1 316.357 3.244 20 5 DGBDMO CCc1cccnc1[C@H](C)[NH2+]Cc1ccc(OC)c([N+](=O)[O-])c1 ZINC000356830590 285511623 /nfs/dbraw/zinc/51/16/23/285511623.db2.gz AQAOZRYWEPCEQH-LBPRGKRZSA-N 1 1 315.373 3.412 20 5 DGBDMO O=[N+]([O-])c1ccc(N[C@H]2CC[N@@H+](Cc3ccccc3)C2)s1 ZINC000066410720 400086392 /nfs/dbraw/zinc/08/63/92/400086392.db2.gz XKWSXZPWCWXTDK-ZDUSSCGKSA-N 1 1 303.387 3.343 20 5 DGBDMO Cc1c([C@H](C)N[C@@H]2CC[N@H+](C(C)(C)C)C2)cccc1[N+](=O)[O-] ZINC000595057533 400094151 /nfs/dbraw/zinc/09/41/51/400094151.db2.gz ZIVMICHOUHALGF-UONOGXRCSA-N 1 1 305.422 3.427 20 5 DGBDMO Cc1c([C@H](C)[NH2+][C@@H]2CCN(C(C)(C)C)C2)cccc1[N+](=O)[O-] ZINC000595057533 400094156 /nfs/dbraw/zinc/09/41/56/400094156.db2.gz ZIVMICHOUHALGF-UONOGXRCSA-N 1 1 305.422 3.427 20 5 DGBDMO CC[C@@H](CSC)[N@@H+](C)Cc1nc2cc([N+](=O)[O-])ccc2o1 ZINC000091098787 400094725 /nfs/dbraw/zinc/09/47/25/400094725.db2.gz NHCVBTOVWZGGLE-JTQLQIEISA-N 1 1 309.391 3.309 20 5 DGBDMO CC[C@@H](C)CC[NH2+][C@H](c1nccn1C)c1cccc([N+](=O)[O-])c1 ZINC000595072600 400098796 /nfs/dbraw/zinc/09/87/96/400098796.db2.gz HZESGSGTRHTWDG-CJNGLKHVSA-N 1 1 316.405 3.444 20 5 DGBDMO C[C@@H](C(=O)Nc1ccccc1[N+](=O)[O-])[N@H+](C)Cc1cccs1 ZINC000007421026 400103574 /nfs/dbraw/zinc/10/35/74/400103574.db2.gz OUMJPJSCGFEUIS-NSHDSACASA-N 1 1 319.386 3.115 20 5 DGBDMO C[C@@H](C(=O)Nc1ccccc1[N+](=O)[O-])[N@@H+](C)Cc1cccs1 ZINC000007421026 400103580 /nfs/dbraw/zinc/10/35/80/400103580.db2.gz OUMJPJSCGFEUIS-NSHDSACASA-N 1 1 319.386 3.115 20 5 DGBDMO C[C@@H]([NH2+][C@@H]1CCCc2ccc([N+](=O)[O-])cc21)c1nccn1C ZINC000595109963 400108800 /nfs/dbraw/zinc/10/88/00/400108800.db2.gz XSTDKNPZUHVEBZ-IAQYHMDHSA-N 1 1 300.362 3.057 20 5 DGBDMO CC(C)[C@H]1CCC[N@@H+](CC(=O)Nc2ccccc2[N+](=O)[O-])CC1 ZINC000303640002 400109707 /nfs/dbraw/zinc/10/97/07/400109707.db2.gz QSRWXRCIRGJRBZ-AWEZNQCLSA-N 1 1 319.405 3.291 20 5 DGBDMO C[C@@H](C(=O)Nc1ccc([N+](=O)[O-])cc1)[N@H+](C)Cc1cccs1 ZINC000016586787 400176017 /nfs/dbraw/zinc/17/60/17/400176017.db2.gz ATZHYUCHICBNKD-NSHDSACASA-N 1 1 319.386 3.115 20 5 DGBDMO C[C@@H](C(=O)Nc1ccc([N+](=O)[O-])cc1)[N@@H+](C)Cc1cccs1 ZINC000016586787 400176020 /nfs/dbraw/zinc/17/60/20/400176020.db2.gz ATZHYUCHICBNKD-NSHDSACASA-N 1 1 319.386 3.115 20 5 DGBDMO O=[N+]([O-])c1cc(F)ccc1C[N@H+]1CCC[C@@]2(CCSC2)C1 ZINC000595521550 400176632 /nfs/dbraw/zinc/17/66/32/400176632.db2.gz DUYFIAAKMFJZDK-OAHLLOKOSA-N 1 1 310.394 3.453 20 5 DGBDMO C[N@H+]1Cc2ccccc2[C@@H](Nc2c(F)cccc2[N+](=O)[O-])C1 ZINC000588007571 400179450 /nfs/dbraw/zinc/17/94/50/400179450.db2.gz IOTSLFQNHBEKTN-AWEZNQCLSA-N 1 1 301.321 3.333 20 5 DGBDMO C[N@@H+]1Cc2ccccc2[C@@H](Nc2c(F)cccc2[N+](=O)[O-])C1 ZINC000588007571 400179453 /nfs/dbraw/zinc/17/94/53/400179453.db2.gz IOTSLFQNHBEKTN-AWEZNQCLSA-N 1 1 301.321 3.333 20 5 DGBDMO Cc1noc(C[N@H+](C)CCCCc2ccccc2)c1[N+](=O)[O-] ZINC000595295034 400120852 /nfs/dbraw/zinc/12/08/52/400120852.db2.gz COCWZKQDKXYJGS-UHFFFAOYSA-N 1 1 303.362 3.346 20 5 DGBDMO Cc1noc(C[N@@H+](C)CCCCc2ccccc2)c1[N+](=O)[O-] ZINC000595295034 400120857 /nfs/dbraw/zinc/12/08/57/400120857.db2.gz COCWZKQDKXYJGS-UHFFFAOYSA-N 1 1 303.362 3.346 20 5 DGBDMO C[C@@H](O)C[N@@H+](Cc1ccc(F)cc1[N+](=O)[O-])C1CCCCC1 ZINC000595303249 400123719 /nfs/dbraw/zinc/12/37/19/400123719.db2.gz OCQWFTMRPHSNHV-GFCCVEGCSA-N 1 1 310.369 3.249 20 5 DGBDMO Cc1noc(C[N@@H+]2CC[C@H](c3ccccc3F)C2)c1[N+](=O)[O-] ZINC000595310772 400124759 /nfs/dbraw/zinc/12/47/59/400124759.db2.gz FKCQSELMOGSNNB-NSHDSACASA-N 1 1 305.309 3.020 20 5 DGBDMO Cc1noc(C[N@H+]2CC[C@H](c3ccccc3F)C2)c1[N+](=O)[O-] ZINC000595310772 400124761 /nfs/dbraw/zinc/12/47/61/400124761.db2.gz FKCQSELMOGSNNB-NSHDSACASA-N 1 1 305.309 3.020 20 5 DGBDMO Cc1noc(C[N@H+]2CC[C@@H](Cc3ccc(F)cc3)C2)c1[N+](=O)[O-] ZINC000595321449 400126370 /nfs/dbraw/zinc/12/63/70/400126370.db2.gz LWTPQNWOFDVJQQ-ZDUSSCGKSA-N 1 1 319.336 3.095 20 5 DGBDMO Cc1noc(C[N@@H+]2C[C@H](c3ccc(F)cc3)C[C@@H]2C)c1[N+](=O)[O-] ZINC000595323497 400126805 /nfs/dbraw/zinc/12/68/05/400126805.db2.gz YXIVVWAECQBRKT-GXFFZTMASA-N 1 1 319.336 3.408 20 5 DGBDMO Cc1noc(C[N@@H+]2C[C@@H](c3ccc(F)cc3)C[C@@H]2C)c1[N+](=O)[O-] ZINC000595323494 400127335 /nfs/dbraw/zinc/12/73/35/400127335.db2.gz YXIVVWAECQBRKT-GWCFXTLKSA-N 1 1 319.336 3.408 20 5 DGBDMO C[C@@H](C[NH+]1CCCCC1)NC/C=C\c1ccccc1[N+](=O)[O-] ZINC000608836336 400128255 /nfs/dbraw/zinc/12/82/55/400128255.db2.gz KSIAGROEPYCJIO-VIHMKRCTSA-N 1 1 303.406 3.072 20 5 DGBDMO O=[N+]([O-])c1cc(F)ccc1C[N@H+]1CCCC2(CCOCC2)C1 ZINC000595328533 400128895 /nfs/dbraw/zinc/12/88/95/400128895.db2.gz VVNAISKNCQJJBV-UHFFFAOYSA-N 1 1 308.353 3.127 20 5 DGBDMO C[C@@H](O)C[N@H+](Cc1ccccc1)Cc1ccc(F)cc1[N+](=O)[O-] ZINC000595333883 400130918 /nfs/dbraw/zinc/13/09/18/400130918.db2.gz URYFDLCWSPOLAW-CYBMUJFWSA-N 1 1 318.348 3.117 20 5 DGBDMO C[C@@H](O)C[N@@H+](Cc1ccccc1)Cc1ccc(F)cc1[N+](=O)[O-] ZINC000595333883 400130920 /nfs/dbraw/zinc/13/09/20/400130920.db2.gz URYFDLCWSPOLAW-CYBMUJFWSA-N 1 1 318.348 3.117 20 5 DGBDMO Cc1noc(C[NH2+][C@@H](c2ccccc2C)C2CC2)c1[N+](=O)[O-] ZINC000595423164 400143743 /nfs/dbraw/zinc/14/37/43/400143743.db2.gz MHFVRNOYSLLHRB-OAHLLOKOSA-N 1 1 301.346 3.441 20 5 DGBDMO O=[N+]([O-])c1cc(F)ccc1C[N@H+]1CCC[C@H](C[C@H]2CCOC2)C1 ZINC000595422063 400144537 /nfs/dbraw/zinc/14/45/37/400144537.db2.gz NLJSCOGOFDTDQN-ZIAGYGMSSA-N 1 1 322.380 3.373 20 5 DGBDMO O=[N+]([O-])c1cc(F)ccc1C[N@H+]1CCC[C@H]1C1CCOCC1 ZINC000595423946 400145792 /nfs/dbraw/zinc/14/57/92/400145792.db2.gz SZPHWMRZWKVQBT-HNNXBMFYSA-N 1 1 308.353 3.125 20 5 DGBDMO Cc1noc(C[N@H+]2CC[C@H](c3ccc(C)cc3)C2)c1[N+](=O)[O-] ZINC000595427951 400147123 /nfs/dbraw/zinc/14/71/23/400147123.db2.gz VDCRCAUTBZRLIQ-AWEZNQCLSA-N 1 1 301.346 3.189 20 5 DGBDMO Cc1ccc(C[N@H+]2CCC[C@@H](c3ncc[nH]3)C2)cc1[N+](=O)[O-] ZINC000092072094 400151448 /nfs/dbraw/zinc/15/14/48/400151448.db2.gz LQJJZDCFGNPKHU-CQSZACIVSA-N 1 1 300.362 3.006 20 5 DGBDMO C[N@@H+](Cc1cc([N+](=O)[O-])cc2c1OCOC2)C1CCCCC1 ZINC000015256772 400161565 /nfs/dbraw/zinc/16/15/65/400161565.db2.gz DKRPBDZQKFOLDN-UHFFFAOYSA-N 1 1 306.362 3.226 20 5 DGBDMO CO[C@@H](C[N@@H+](C)CCc1ccccc1[N+](=O)[O-])C1CCCC1 ZINC000595485719 400165117 /nfs/dbraw/zinc/16/51/17/400165117.db2.gz WXKIHBIVTZFOFC-KRWDZBQOSA-N 1 1 306.406 3.274 20 5 DGBDMO C[N@H+]1CC[C@@]2(C1)CCCN(Cc1ccc([N+](=O)[O-])cc1Cl)C2 ZINC000595505032 400170442 /nfs/dbraw/zinc/17/04/42/400170442.db2.gz POIFHCNBWQNPPO-MRXNPFEDSA-N 1 1 323.824 3.166 20 5 DGBDMO O=C(C[NH+]1CCC(C2CCC2)CC1)Nc1ccccc1[N+](=O)[O-] ZINC000595661370 400221255 /nfs/dbraw/zinc/22/12/55/400221255.db2.gz ZQCDRBUWUCIESW-UHFFFAOYSA-N 1 1 317.389 3.045 20 5 DGBDMO CN(C[C@@H]1CCCOC1)c1cc[nH+]c2ccc([N+](=O)[O-])cc21 ZINC000601116135 400238155 /nfs/dbraw/zinc/23/81/55/400238155.db2.gz ORCBWAWSDOSGSJ-LBPRGKRZSA-N 1 1 301.346 3.006 20 5 DGBDMO O=[N+]([O-])c1ccc2[nH+]ccc(N3CCOCC4(CCC4)C3)c2c1 ZINC000601141187 400247284 /nfs/dbraw/zinc/24/72/84/400247284.db2.gz BNTOSYGEAGJGMD-UHFFFAOYSA-N 1 1 313.357 3.150 20 5 DGBDMO Cc1cccc(N2CC[NH+](Cc3ccc([N+](=O)[O-])cc3)CC2)c1 ZINC000025931038 400247476 /nfs/dbraw/zinc/24/74/76/400247476.db2.gz NRLNBYSUXQISLQ-UHFFFAOYSA-N 1 1 311.385 3.225 20 5 DGBDMO C[C@@H]1CN(c2cc[nH+]c3ccc([N+](=O)[O-])cc32)C[C@@H](C2CC2)O1 ZINC000601156429 400250882 /nfs/dbraw/zinc/25/08/82/400250882.db2.gz QLKFANFUXXPFBC-DIFFPNOSSA-N 1 1 313.357 3.147 20 5 DGBDMO C[C@@H]1CSCCN(c2cc[nH+]c3ccc([N+](=O)[O-])cc32)C1 ZINC000601156278 400250934 /nfs/dbraw/zinc/25/09/34/400250934.db2.gz VNAHWZFBJSEHFM-NSHDSACASA-N 1 1 303.387 3.332 20 5 DGBDMO CN(C/C=C/c1ccccc1[N+](=O)[O-])CC[C@@H]1CCCC[N@H+]1C ZINC000093659941 400251680 /nfs/dbraw/zinc/25/16/80/400251680.db2.gz GVFJOUPLDPHVNB-LKUPDRCFSA-N 1 1 317.433 3.414 20 5 DGBDMO Cc1cnn([C@@H]2CCN(c3cc[nH+]c4ccc([N+](=O)[O-])cc43)C2)c1 ZINC000601166820 400254473 /nfs/dbraw/zinc/25/44/73/400254473.db2.gz UFXWJNNUUIBXQQ-CQSZACIVSA-N 1 1 323.356 3.099 20 5 DGBDMO COC[C@@]1(C)CCN(c2cc[nH+]c3ccc([N+](=O)[O-])cc32)C1 ZINC000601170327 400255150 /nfs/dbraw/zinc/25/51/50/400255150.db2.gz OPIGLFHKNGULLX-INIZCTEOSA-N 1 1 301.346 3.006 20 5 DGBDMO O=[N+]([O-])c1ccc(CC[N@H+]2CCC[C@H]([C@H]3CCCCO3)C2)cc1 ZINC000595792268 400263214 /nfs/dbraw/zinc/26/32/14/400263214.db2.gz ZBLDAVMPSVOOPN-FUHWJXTLSA-N 1 1 318.417 3.418 20 5 DGBDMO C[C@@H]1COC2(CCCC2)C[N@H+]1CCc1ccc([N+](=O)[O-])cc1 ZINC000595814795 400268072 /nfs/dbraw/zinc/26/80/72/400268072.db2.gz JAARYUDNXBQBQT-CQSZACIVSA-N 1 1 304.390 3.171 20 5 DGBDMO C[N@H+]1CC[C@@H]2[C@H](CCCN2C/C=C\c2ccccc2[N+](=O)[O-])C1 ZINC000589206586 400277130 /nfs/dbraw/zinc/27/71/30/400277130.db2.gz UAKAMMGDWAIGKK-GGVHLCNSSA-N 1 1 315.417 3.024 20 5 DGBDMO O=[N+]([O-])c1ccc2[nH]c(C[N@@H+](CCC3CC3)CC3CC3)nc2c1 ZINC000595870995 400283157 /nfs/dbraw/zinc/28/31/57/400283157.db2.gz IZOTXXKSFWXCGX-UHFFFAOYSA-N 1 1 314.389 3.483 20 5 DGBDMO C[C@H](CNc1ccc([N+](=O)[O-])c2cnccc12)[N@@H+](C)C1CC1 ZINC000068913615 400299639 /nfs/dbraw/zinc/29/96/39/400299639.db2.gz YZHDQAQBZGUYPY-LLVKDONJSA-N 1 1 300.362 3.038 20 5 DGBDMO CCC[N@H+](Cc1cc(C(=O)OC)ccc1[N+](=O)[O-])CC1CC1 ZINC000589494237 400300291 /nfs/dbraw/zinc/30/02/91/400300291.db2.gz FICSBTPAWUCTNF-UHFFFAOYSA-N 1 1 306.362 3.003 20 5 DGBDMO COC(=O)c1ccc([N+](=O)[O-])c(C[N@H+]2CC[C@H](C)C[C@H](C)C2)c1 ZINC000589501637 400302109 /nfs/dbraw/zinc/30/21/09/400302109.db2.gz UQZAZGNPAGZKJM-STQMWFEESA-N 1 1 320.389 3.249 20 5 DGBDMO C[C@H](NC[C@@H]1CCC[N@@H+](CC2CC2)C1)c1ccc([N+](=O)[O-])cc1 ZINC000596094078 400315842 /nfs/dbraw/zinc/31/58/42/400315842.db2.gz JFAHHGWXDVSELL-HOCLYGCPSA-N 1 1 317.433 3.367 20 5 DGBDMO CC[C@H]1CCC[N@@H+](CCC(=O)Nc2cc([N+](=O)[O-])ccc2C)C1 ZINC000030144622 400321334 /nfs/dbraw/zinc/32/13/34/400321334.db2.gz NKSROAOXXGSGLP-AWEZNQCLSA-N 1 1 319.405 3.354 20 5 DGBDMO COCCC1CCN(c2cc[nH+]c3ccc([N+](=O)[O-])cc32)CC1 ZINC000601200518 400261820 /nfs/dbraw/zinc/26/18/20/400261820.db2.gz CEXZECBXAQKPDP-UHFFFAOYSA-N 1 1 315.373 3.396 20 5 DGBDMO CCOc1cc(C[N@@H+](C)CCOC(C)(C)C)ccc1[N+](=O)[O-] ZINC000617210293 400330567 /nfs/dbraw/zinc/33/05/67/400330567.db2.gz QVEDMPVXXXXKIM-UHFFFAOYSA-N 1 1 310.394 3.240 20 5 DGBDMO C[C@H](C(=O)Nc1ccccc1[N+](=O)[O-])[NH+]1CCC(C2CC2)CC1 ZINC000590006515 400347187 /nfs/dbraw/zinc/34/71/87/400347187.db2.gz JAFLHHYRRQDJTQ-GFCCVEGCSA-N 1 1 317.389 3.044 20 5 DGBDMO CC(=O)c1ccc(OC[C@H]2CCCC[N@@H+]2C(C)C)c([N+](=O)[O-])c1 ZINC000596266301 400365855 /nfs/dbraw/zinc/36/58/55/400365855.db2.gz PZPFWKCGTHXHRR-OAHLLOKOSA-N 1 1 320.389 3.439 20 5 DGBDMO COCC[N@@H+](C/C=C\c1ccccc1[N+](=O)[O-])C1CCCC1 ZINC000611257670 400366775 /nfs/dbraw/zinc/36/67/75/400366775.db2.gz BOKQZCWHYPPENR-VURMDHGXSA-N 1 1 304.390 3.499 20 5 DGBDMO COc1ccc([N+](=O)[O-])cc1C[NH2+][C@H](C)c1ccc(C)nc1C ZINC000611300330 400375788 /nfs/dbraw/zinc/37/57/88/400375788.db2.gz LVHHBLWIOVVWSZ-GFCCVEGCSA-N 1 1 315.373 3.466 20 5 DGBDMO Cc1ccc([N+](=O)[O-])cc1[C@H](C)[N@H+]1CCC[C@H](n2ccnc2)C1 ZINC000611516002 400413643 /nfs/dbraw/zinc/41/36/43/400413643.db2.gz YZTQXRBJHYUHIM-HOCLYGCPSA-N 1 1 314.389 3.498 20 5 DGBDMO COc1ccc(C[N@H+](C)[C@H](C)c2cc([N+](=O)[O-])ccc2C)cn1 ZINC000611516721 400413743 /nfs/dbraw/zinc/41/37/43/400413743.db2.gz GJWVJTUKQFUBDN-CYBMUJFWSA-N 1 1 315.373 3.500 20 5 DGBDMO COc1ccc(C[N@@H+](C)[C@H](C)c2cc([N+](=O)[O-])ccc2C)cn1 ZINC000611516721 400413749 /nfs/dbraw/zinc/41/37/49/400413749.db2.gz GJWVJTUKQFUBDN-CYBMUJFWSA-N 1 1 315.373 3.500 20 5 DGBDMO Cc1cccc(NCCNc2ccc([N+](=O)[O-])cc2Cl)[nH+]1 ZINC000357893782 285911248 /nfs/dbraw/zinc/91/12/48/285911248.db2.gz WNIWRMILZZQHHJ-UHFFFAOYSA-N 1 1 306.753 3.476 20 5 DGBDMO O=[N+]([O-])c1cc(F)ccc1NC[C@@H]1CCC[N@@H+](CC2CC2)C1 ZINC000596570444 400446518 /nfs/dbraw/zinc/44/65/18/400446518.db2.gz LCTGHVBPCVXDFK-ZDUSSCGKSA-N 1 1 307.369 3.268 20 5 DGBDMO Cc1cc(C)c([N+](=O)[O-])c(NC[C@H]2CCC[N@@H+](CC3CC3)C2)n1 ZINC000596571529 400447487 /nfs/dbraw/zinc/44/74/87/400447487.db2.gz UTWQUVNYYMCYQJ-OAHLLOKOSA-N 1 1 318.421 3.141 20 5 DGBDMO CCO[C@H]1C[C@@H]([N@H+](C)Cc2csc([N+](=O)[O-])c2)C12CCC2 ZINC000120997332 400450552 /nfs/dbraw/zinc/45/05/52/400450552.db2.gz KADFIUBCCSJCAN-OLZOCXBDSA-N 1 1 310.419 3.436 20 5 DGBDMO CCO[C@H]1C[C@@H]([N@@H+](C)Cc2csc([N+](=O)[O-])c2)C12CCC2 ZINC000120997332 400450554 /nfs/dbraw/zinc/45/05/54/400450554.db2.gz KADFIUBCCSJCAN-OLZOCXBDSA-N 1 1 310.419 3.436 20 5 DGBDMO COC[C@@H]1CC[N@@H+](Cc2ccc(C(F)(F)F)cc2[N+](=O)[O-])C1 ZINC000602467962 400469705 /nfs/dbraw/zinc/46/97/05/400469705.db2.gz MFQOTBDQNROBBZ-SNVBAGLBSA-N 1 1 318.295 3.082 20 5 DGBDMO CC(C)c1ccc(C[N@H+]2CCC[C@@H]3COC[C@@H]32)cc1[N+](=O)[O-] ZINC000590972192 400471564 /nfs/dbraw/zinc/47/15/64/400471564.db2.gz TZKMGGRLWSLFKU-PBHICJAKSA-N 1 1 304.390 3.329 20 5 DGBDMO C[C@H]1[N@@H+](C/C=C\c2ccccc2[N+](=O)[O-])CCC12CCOCC2 ZINC000612596490 400572323 /nfs/dbraw/zinc/57/23/23/400572323.db2.gz ZLMZRHIOFQPGFB-ZDTYVGOBSA-N 1 1 316.401 3.499 20 5 DGBDMO Cc1cc(NCCCC[N@@H+]2CCCC[C@H]2C)ncc1[N+](=O)[O-] ZINC000074740924 400531118 /nfs/dbraw/zinc/53/11/18/400531118.db2.gz ZHDGYAOKORQVSZ-CQSZACIVSA-N 1 1 306.410 3.365 20 5 DGBDMO Cc1[nH]c2nc[nH+]c(NCCc3ccccc3[N+](=O)[O-])c2c1C ZINC000591914104 400578653 /nfs/dbraw/zinc/57/86/53/400578653.db2.gz FRLOBVQOHYQMIT-UHFFFAOYSA-N 1 1 311.345 3.138 20 5 DGBDMO CC[N@@H+](Cc1cc(OC)c(OC(F)F)cc1[N+](=O)[O-])C1CC1 ZINC000045771012 400535681 /nfs/dbraw/zinc/53/56/81/400535681.db2.gz WNFRGYKKPMHPSO-UHFFFAOYSA-N 1 1 316.304 3.189 20 5 DGBDMO O=c1ccc(C[N@@H+]2CCC[C@@H](c3ccc([N+](=O)[O-])cc3)C2)c[nH]1 ZINC000602684049 400538161 /nfs/dbraw/zinc/53/81/61/400538161.db2.gz FBZQZNOKUANXJT-OAHLLOKOSA-N 1 1 313.357 3.075 20 5 DGBDMO C[N@@H+](Cc1nc(-c2cccc([N+](=O)[O-])c2)no1)C1CCCCC1 ZINC000046502137 400566905 /nfs/dbraw/zinc/56/69/05/400566905.db2.gz PGQVCXIUEYQLIA-UHFFFAOYSA-N 1 1 316.361 3.409 20 5 DGBDMO Cc1ncc([N+](=O)[O-])n1CC[N@@H+](Cc1ccccc1F)C(C)C ZINC000602768494 400568748 /nfs/dbraw/zinc/56/87/48/400568748.db2.gz JGVRVQCMZVDYDQ-UHFFFAOYSA-N 1 1 320.368 3.149 20 5 DGBDMO C[N@@H+](CCC(=O)Nc1ccccc1[N+](=O)[O-])CCC(C)(C)C ZINC000592144627 400615102 /nfs/dbraw/zinc/61/51/02/400615102.db2.gz FFXOEXWFBAISOI-UHFFFAOYSA-N 1 1 307.394 3.291 20 5 DGBDMO COc1ccc2c(c1)CC[N@H+](Cc1ccc([N+](=O)[O-])cc1)CC2 ZINC000140153756 400616056 /nfs/dbraw/zinc/61/60/56/400616056.db2.gz BIKYQTQUVHTIPL-UHFFFAOYSA-N 1 1 312.369 3.204 20 5 DGBDMO Cc1c(NC(=O)[C@H](C)[NH+]2CCC(C)(F)CC2)cccc1[N+](=O)[O-] ZINC000602993203 400623255 /nfs/dbraw/zinc/62/32/55/400623255.db2.gz UFHWVTTYQRQAAB-LBPRGKRZSA-N 1 1 323.368 3.054 20 5 DGBDMO C[N@@H+](Cc1ccc(-c2ccccc2[N+](=O)[O-])o1)C1(CO)CCC1 ZINC000597254744 400600499 /nfs/dbraw/zinc/60/04/99/400600499.db2.gz KUMLLSUUIUICEQ-UHFFFAOYSA-N 1 1 316.357 3.202 20 5 DGBDMO C[C@H]([NH3+])C[C@H](C)NCc1ccc(-c2cccc([N+](=O)[O-])c2)o1 ZINC000592438263 400649263 /nfs/dbraw/zinc/64/92/63/400649263.db2.gz IAPATTBNGLNQEY-RYUDHWBXSA-N 1 1 303.362 3.070 20 5 DGBDMO Cc1ccc([N+](=O)[O-])c(C)c1NC(=O)[C@@H](C)[N@@H+]1[C@H](C)CC[C@@H]1C ZINC000597665042 400657669 /nfs/dbraw/zinc/65/76/69/400657669.db2.gz DFKWWHJEHVRJSR-MBNYWOFBSA-N 1 1 319.405 3.411 20 5 DGBDMO O=[N+]([O-])c1ccc(N[C@H]2CCC[N@@H+](Cc3ccccc3)C2)cn1 ZINC000076685444 400667780 /nfs/dbraw/zinc/66/77/80/400667780.db2.gz VTVIBNHUJVSCHP-INIZCTEOSA-N 1 1 312.373 3.066 20 5 DGBDMO CCOc1ccc([N+](=O)[O-])cc1C[N@@H+]1CCC[C@@H](OC(C)C)C1 ZINC000593055928 400747960 /nfs/dbraw/zinc/74/79/60/400747960.db2.gz UYXTYVUMABVZGH-MRXNPFEDSA-N 1 1 322.405 3.383 20 5 DGBDMO CCOc1ccc([N+](=O)[O-])cc1C[N@H+]1CCC[C@@H](OC(C)C)C1 ZINC000593055928 400747963 /nfs/dbraw/zinc/74/79/63/400747963.db2.gz UYXTYVUMABVZGH-MRXNPFEDSA-N 1 1 322.405 3.383 20 5 DGBDMO Cc1cnc(NCCCC[N@@H+]2CCC[C@H](C)C2)c([N+](=O)[O-])c1 ZINC000078631174 400816151 /nfs/dbraw/zinc/81/61/51/400816151.db2.gz ZJVOTEXFLDCDJR-ZDUSSCGKSA-N 1 1 306.410 3.222 20 5 DGBDMO CC[C@H](NCc1ccc(C[NH3+])cc1F)c1cccc([N+](=O)[O-])c1 ZINC000593318581 400817227 /nfs/dbraw/zinc/81/72/27/400817227.db2.gz FDJQBOBXHATMIE-KRWDZBQOSA-N 1 1 317.364 3.434 20 5 DGBDMO C[C@H](CO)C1CC[NH+](Cc2ccc(Cl)cc2[N+](=O)[O-])CC1 ZINC000593084732 400757419 /nfs/dbraw/zinc/75/74/19/400757419.db2.gz QZPBMWOMXYNBGI-LLVKDONJSA-N 1 1 312.797 3.089 20 5 DGBDMO C[C@H](O)C[N@@H+](CCc1ccc([N+](=O)[O-])cc1)C1CCCCC1 ZINC000170691670 400769114 /nfs/dbraw/zinc/76/91/14/400769114.db2.gz BRUKVULCILNTHN-AWEZNQCLSA-N 1 1 306.406 3.153 20 5 DGBDMO CC[N@@H+](C)Cc1cccc(CNc2cccnc2[N+](=O)[O-])c1 ZINC000604432882 400775889 /nfs/dbraw/zinc/77/58/89/400775889.db2.gz UYQXEZVIKMNWBG-UHFFFAOYSA-N 1 1 300.362 3.054 20 5 DGBDMO C[C@@H]1CC[C@H](C)[N@@H+]1[C@@H]1CCCN(c2ccccc2[N+](=O)[O-])C1 ZINC000053573754 400792351 /nfs/dbraw/zinc/79/23/51/400792351.db2.gz KBRBVUMWASJCTI-QLFBSQMISA-N 1 1 303.406 3.436 20 5 DGBDMO Cc1c(NC(=O)CC[N@@H+]2CCCC[C@H]2C)cccc1[N+](=O)[O-] ZINC000053898846 400802043 /nfs/dbraw/zinc/80/20/43/400802043.db2.gz OLMZBSDKEWZQOV-GFCCVEGCSA-N 1 1 305.378 3.106 20 5 DGBDMO CC(C)O[C@@H]1CCC[N@@H+](C/C=C\c2ccccc2[N+](=O)[O-])C1 ZINC000593660329 400888088 /nfs/dbraw/zinc/88/80/88/400888088.db2.gz PCTOEERZAVGYLV-KQQSKNTNSA-N 1 1 304.390 3.497 20 5 DGBDMO Cc1occc1C[N@@H+](C)CCCOc1ccc([N+](=O)[O-])cc1 ZINC000055055258 400850455 /nfs/dbraw/zinc/85/04/55/400850455.db2.gz NDRNONPPJKUHMI-UHFFFAOYSA-N 1 1 304.346 3.397 20 5 DGBDMO O=[N+]([O-])c1cccc(F)c1C[N@@H+]1CCC[C@@H](OC2CCC2)C1 ZINC000594026757 400952138 /nfs/dbraw/zinc/95/21/38/400952138.db2.gz OIHZVBBDTZOEHI-CYBMUJFWSA-N 1 1 308.353 3.267 20 5 DGBDMO O=[N+]([O-])c1cccc(F)c1C[N@H+]1CCC[C@@H](OC2CCC2)C1 ZINC000594026757 400952143 /nfs/dbraw/zinc/95/21/43/400952143.db2.gz OIHZVBBDTZOEHI-CYBMUJFWSA-N 1 1 308.353 3.267 20 5 DGBDMO O=[N+]([O-])c1c(N[C@@H]2CC[N@H+]3CCC[C@H]3C2)ccc2cnccc21 ZINC000599023283 400930035 /nfs/dbraw/zinc/93/00/35/400930035.db2.gz DNQBOUDNYDFZDT-KGLIPLIRSA-N 1 1 312.373 3.182 20 5 DGBDMO CC(=O)c1ccc(NC[C@H]2CC[N@H+]2C2CCCC2)c([N+](=O)[O-])c1 ZINC000599165208 400982186 /nfs/dbraw/zinc/98/21/86/400982186.db2.gz NPNWTEQXGZXBMQ-OAHLLOKOSA-N 1 1 317.389 3.226 20 5 DGBDMO CCOC(=O)CC[N@@H+](Cc1cccc([N+](=O)[O-])c1C)C(C)C ZINC000594050374 400964970 /nfs/dbraw/zinc/96/49/70/400964970.db2.gz FFDURGBVHSVQCC-UHFFFAOYSA-N 1 1 308.378 3.067 20 5 DGBDMO COc1cc(NC[C@H]2CC[N@H+]2C2CCCCC2)ccc1[N+](=O)[O-] ZINC000599127032 400970264 /nfs/dbraw/zinc/97/02/64/400970264.db2.gz MJIHJCCKBTUGLQ-OAHLLOKOSA-N 1 1 319.405 3.422 20 5 DGBDMO CCC(=O)c1ccc(NC[C@@H]2CCCC[N@@H+](C)C2)c([N+](=O)[O-])c1 ZINC000599139818 400973189 /nfs/dbraw/zinc/97/31/89/400973189.db2.gz QLTSEMNHGYSXSB-ZDUSSCGKSA-N 1 1 319.405 3.331 20 5 DGBDMO C[N@H+]1CCCC[C@@H](CNc2ccc3ncccc3c2[N+](=O)[O-])C1 ZINC000599139478 400973323 /nfs/dbraw/zinc/97/33/23/400973323.db2.gz OQAYUDJEVFQBHO-ZDUSSCGKSA-N 1 1 314.389 3.287 20 5 DGBDMO O=[N+]([O-])c1c(F)cccc1N1CC[NH+](Cc2cccs2)CC1 ZINC000057128270 400973520 /nfs/dbraw/zinc/97/35/20/400973520.db2.gz JMICMGCEGGTONB-UHFFFAOYSA-N 1 1 321.377 3.118 20 5 DGBDMO O=[N+]([O-])c1cccc2c1CC[C@@H]2[NH2+]CCc1ccc2cn[nH]c2c1 ZINC000594504673 401084695 /nfs/dbraw/zinc/08/46/95/401084695.db2.gz RSRXMHQTQJOWPM-INIZCTEOSA-N 1 1 322.368 3.291 20 5 DGBDMO COc1ccc([N+](=O)[O-])cc1C[N@H+]1CC[C@H]2CC[C@@H](C1)S2 ZINC000599551855 401073982 /nfs/dbraw/zinc/07/39/82/401073982.db2.gz BVVGIWBFRDIZGK-KGLIPLIRSA-N 1 1 308.403 3.073 20 5 DGBDMO CC[C@@H](CN[C@@H]1CCc2c1cccc2[N+](=O)[O-])[NH+]1CCCC1 ZINC000594493843 401078007 /nfs/dbraw/zinc/07/80/07/401078007.db2.gz NJXFDILRPXPGAQ-XJKSGUPXSA-N 1 1 303.406 3.046 20 5 DGBDMO C[C@@H](C(=O)Nc1ccccc1[N+](=O)[O-])[N@H+]1CCCC2(CC2)CC1 ZINC000599673059 401108135 /nfs/dbraw/zinc/10/81/35/401108135.db2.gz LSIFEYURCIZSFT-ZDUSSCGKSA-N 1 1 317.389 3.188 20 5 DGBDMO COc1cc(N[C@@H]2CCC[N@H+]3CCCC[C@H]23)ccc1[N+](=O)[O-] ZINC000594596476 401122426 /nfs/dbraw/zinc/12/24/26/401122426.db2.gz ACMKGGNNFSWDCR-ZIAGYGMSSA-N 1 1 305.378 3.032 20 5 DGBDMO CCC[N@@H+](CCn1ccc([N+](=O)[O-])n1)[C@H]1CCc2ccccc21 ZINC000358272458 286017385 /nfs/dbraw/zinc/01/73/85/286017385.db2.gz YQIXIEMZWADZLG-INIZCTEOSA-N 1 1 314.389 3.191 20 5 DGBDMO CC[C@@H](C)[N@@H+](CCO)Cc1ccc(-c2ccc([N+](=O)[O-])cc2)o1 ZINC000600169460 401207359 /nfs/dbraw/zinc/20/73/59/401207359.db2.gz UCSBVBAVAKINJT-CYBMUJFWSA-N 1 1 318.373 3.448 20 5 DGBDMO COC[C@H]([NH2+]Cc1ccc([N+](=O)[O-])cc1)c1cccc(OC)c1 ZINC000594970251 401214969 /nfs/dbraw/zinc/21/49/69/401214969.db2.gz WPAJNPVKHLNXCA-KRWDZBQOSA-N 1 1 316.357 3.081 20 5 DGBDMO C[N@@H+](Cc1ccc(-c2ccc([N+](=O)[O-])cc2)o1)CC1(C)COC1 ZINC000600192169 401216924 /nfs/dbraw/zinc/21/69/24/401216924.db2.gz SYJYKTPPRNICPU-UHFFFAOYSA-N 1 1 316.357 3.323 20 5 DGBDMO CC(C)C[N@@H+](C)[C@H](C)c1nnc(-c2ccc([N+](=O)[O-])cc2)o1 ZINC000065962213 401288451 /nfs/dbraw/zinc/28/84/51/401288451.db2.gz YGNUPFPFCKUONT-LLVKDONJSA-N 1 1 304.350 3.294 20 5 DGBDMO Cc1cccc([N+](=O)[O-])c1NC(=O)C[N@@H+](C1CC1)C1CCCC1 ZINC000064808068 401250994 /nfs/dbraw/zinc/25/09/94/401250994.db2.gz RDFDEBVZAXAASP-UHFFFAOYSA-N 1 1 317.389 3.249 20 5 DGBDMO COc1cccc(C[N@@H+](C)CCOc2ccc([N+](=O)[O-])cc2)c1 ZINC000065208523 401260833 /nfs/dbraw/zinc/26/08/33/401260833.db2.gz ZYNAOFHVAHCQFP-UHFFFAOYSA-N 1 1 316.357 3.114 20 5 DGBDMO CO[C@H]1[C@H]2[C@H]3C[C@@H]1C[C@H]3C[N@H+]2Cc1cc(Cl)ccc1[N+](=O)[O-] ZINC000286559565 286127493 /nfs/dbraw/zinc/12/74/93/286127493.db2.gz PAPPDEPXGPMKMN-RLTXXFFMSA-N 1 1 322.792 3.103 20 5 DGBDMO CCC(=O)c1ccc(NCC[N@H+]2CCC[C@@H](C)C2)c([N+](=O)[O-])c1 ZINC000358945951 286194568 /nfs/dbraw/zinc/19/45/68/286194568.db2.gz HALPDKKONIDEPP-CYBMUJFWSA-N 1 1 319.405 3.331 20 5 DGBDMO CCC[N@H+]1CC[C@H](CNc2ccc(C(=O)CC)cc2[N+](=O)[O-])C1 ZINC000358932181 286190989 /nfs/dbraw/zinc/19/09/89/286190989.db2.gz KOORYIZAHGLFFA-CYBMUJFWSA-N 1 1 319.405 3.331 20 5 DGBDMO CCCC[N@H+]1CCCC[C@@H]1CNc1c([N+](=O)[O-])c(C)nn1CC ZINC000359462467 286313443 /nfs/dbraw/zinc/31/34/43/286313443.db2.gz WKVBRSRVZSVXMO-CQSZACIVSA-N 1 1 323.441 3.186 20 5 DGBDMO Cc1ccc([N+](=O)[O-])cc1[C@H](C)[N@H+]1C[C@@H]2CC[C@H](O)C[C@@H]2C1 ZINC000332198019 292296977 /nfs/dbraw/zinc/29/69/77/292296977.db2.gz HOEBVSRXNFYQJE-AYDFFVQHSA-N 1 1 304.390 3.057 20 5 DGBDMO O=[N+]([O-])c1ccccc1C[N@H+]1CC[C@@]2(C1)OCc1ccccc12 ZINC000186435793 165043842 /nfs/dbraw/zinc/04/38/42/165043842.db2.gz QRBYITFSBAHRSB-SFHVURJKSA-N 1 1 310.353 3.226 20 5 DGBDMO Cc1c(NC(=O)[C@@H](C)[N@H+]2CCCC[C@H](C)C2)cccc1[N+](=O)[O-] ZINC000187959788 165107562 /nfs/dbraw/zinc/10/75/62/165107562.db2.gz JFCOXBLRWACAEB-GXTWGEPZSA-N 1 1 319.405 3.352 20 5 DGBDMO O=[N+]([O-])c1ccc(C[NH2+]Cc2cccc(CO)c2)c(Cl)c1 ZINC000230142716 165392095 /nfs/dbraw/zinc/39/20/95/165392095.db2.gz ZTCINGQMNARSBC-UHFFFAOYSA-N 1 1 306.749 3.030 20 5 DGBDMO C[C@@H](c1ccccc1[N+](=O)[O-])[N@H+]1CC[C@@H](C2CCOCC2)C1 ZINC000330434450 287152642 /nfs/dbraw/zinc/15/26/42/287152642.db2.gz AJNXFIOPNFTRRG-DZGCQCFKSA-N 1 1 304.390 3.404 20 5 DGBDMO C[C@@H](c1ccc(F)cc1)[N@@H+](C)C[C@H](O)c1cccc([N+](=O)[O-])c1 ZINC000136895752 432164682 /nfs/dbraw/zinc/16/46/82/432164682.db2.gz NNHCPXDJUCVTKM-SJCJKPOMSA-N 1 1 318.348 3.460 20 5 DGBDMO CC[C@@H]1CCCCC[N@H+]1CC(=O)Nc1c(C)cccc1[N+](=O)[O-] ZINC000150738132 432189504 /nfs/dbraw/zinc/18/95/04/432189504.db2.gz GTEGFJLVOKPCMC-CQSZACIVSA-N 1 1 319.405 3.496 20 5 DGBDMO C[C@H](c1ccco1)[N@@H+](C[C@@H](O)c1cccc([N+](=O)[O-])c1)C1CC1 ZINC000269660667 432193440 /nfs/dbraw/zinc/19/34/40/432193440.db2.gz QBMMGWZGWDRJKE-MLGOLLRUSA-N 1 1 316.357 3.447 20 5 DGBDMO CCC[N@H+]1CC[C@H](CN[C@H](C)c2ccc(C)c([N+](=O)[O-])c2)C1 ZINC000247098179 432201247 /nfs/dbraw/zinc/20/12/47/432201247.db2.gz PXDBTDDYQQRRES-HUUCEWRRSA-N 1 1 305.422 3.286 20 5 DGBDMO Cc1n[nH]c(C)c1[C@H]1CCC[N@H+]1CCc1ccc([N+](=O)[O-])cc1 ZINC000130683541 196101245 /nfs/dbraw/zinc/10/12/45/196101245.db2.gz XNIXLHRLTIVYIM-MRXNPFEDSA-N 1 1 314.389 3.314 20 5 DGBDMO COc1ncccc1C[NH2+][C@H](C)c1cc([N+](=O)[O-])ccc1C ZINC000151151666 432222967 /nfs/dbraw/zinc/22/29/67/432222967.db2.gz OBWHECAZZQVYJO-GFCCVEGCSA-N 1 1 301.346 3.158 20 5 DGBDMO COc1ncccc1C[NH2+][C@H](C)c1cccc([N+](=O)[O-])c1C ZINC000151151914 432223307 /nfs/dbraw/zinc/22/33/07/432223307.db2.gz RWPLRXXIHGAPKV-GFCCVEGCSA-N 1 1 301.346 3.158 20 5 DGBDMO C[C@H]1C[C@@H](Nc2ccc([N+](=O)[O-])c3ncccc23)C[N@H+]1C1CC1 ZINC000413181426 230148033 /nfs/dbraw/zinc/14/80/33/230148033.db2.gz FIAQQNKWUVNVKJ-NWDGAFQWSA-N 1 1 312.373 3.180 20 5 DGBDMO COc1cc(C[N@H+]2CC[C@@H](C(C)(C)C)C2)c([N+](=O)[O-])cc1OC ZINC000346379903 264021609 /nfs/dbraw/zinc/02/16/09/264021609.db2.gz DIUBANQOMKKNNZ-CYBMUJFWSA-N 1 1 322.405 3.480 20 5 DGBDMO CC(C)c1ccc(CN2C[C@@H]3CCC[C@H]([NH3+])[C@@H]3C2)cc1[N+](=O)[O-] ZINC000346827199 264104872 /nfs/dbraw/zinc/10/48/72/264104872.db2.gz HTRVSFTWZIJDKO-UAGQMJEPSA-N 1 1 317.433 3.277 20 5 DGBDMO COc1cc([N+](=O)[O-])ccc1C[N@@H+]1CCC[C@@H]1c1cccnc1 ZINC000346967032 264129104 /nfs/dbraw/zinc/12/91/04/264129104.db2.gz DBLLWRJXJJBDND-MRXNPFEDSA-N 1 1 313.357 3.336 20 5 DGBDMO COc1cc([N+](=O)[O-])ccc1C[N@H+]1CCC[C@@H]1c1cccnc1 ZINC000346967032 264129105 /nfs/dbraw/zinc/12/91/05/264129105.db2.gz DBLLWRJXJJBDND-MRXNPFEDSA-N 1 1 313.357 3.336 20 5 DGBDMO [NH3+]C[C@@H]1CCCN(Cc2ccc(-c3ccc([N+](=O)[O-])cc3)o2)C1 ZINC000347091347 264154800 /nfs/dbraw/zinc/15/48/00/264154800.db2.gz FDJZLNHCTQNSPP-ZDUSSCGKSA-N 1 1 315.373 3.026 20 5 DGBDMO C[C@@H](CO)[N@@H+](Cc1c(Cl)cccc1[N+](=O)[O-])C1CCCC1 ZINC000347174431 264169605 /nfs/dbraw/zinc/16/96/05/264169605.db2.gz UFSUKDXDZREUPE-NSHDSACASA-N 1 1 312.797 3.374 20 5 DGBDMO Cc1sccc1C[N@H+]1CC[C@@H](Nc2ccc([N+](=O)[O-])cn2)C1 ZINC000351641356 264760585 /nfs/dbraw/zinc/76/05/85/264760585.db2.gz NSAJRZHZHYHKML-CYBMUJFWSA-N 1 1 318.402 3.046 20 5 DGBDMO C[N@H+](Cc1ccc(-c2cccc([N+](=O)[O-])c2)o1)CC1CC(O)C1 ZINC000191155161 432229525 /nfs/dbraw/zinc/22/95/25/432229525.db2.gz BJJAAYYISFQTMB-UHFFFAOYSA-N 1 1 316.357 3.058 20 5 DGBDMO C[C@@H]1CC[N@@H+](Cc2ccc(-c3ccc([N+](=O)[O-])cc3)o2)[C@@H]1CO ZINC000191180554 432229913 /nfs/dbraw/zinc/22/99/13/432229913.db2.gz MWJZQEXLMWECNH-MLGOLLRUSA-N 1 1 316.357 3.058 20 5 DGBDMO Cc1cc(NC[C@H]2CC[N@H+](C)C2)c(C(F)(F)F)cc1[N+](=O)[O-] ZINC000359907526 271015845 /nfs/dbraw/zinc/01/58/45/271015845.db2.gz WPKSZIDRTWABEG-SNVBAGLBSA-N 1 1 317.311 3.286 20 5 DGBDMO Cn1cc[nH+]c1[C@H]1CCCN(c2ccc(Cl)cc2[N+](=O)[O-])C1 ZINC000369359666 271267894 /nfs/dbraw/zinc/26/78/94/271267894.db2.gz SXZKOQZXBRBSID-NSHDSACASA-N 1 1 320.780 3.366 20 5 DGBDMO COc1ccncc1C[NH2+][C@H]1CCCc2ccc([N+](=O)[O-])cc21 ZINC000294277054 274165079 /nfs/dbraw/zinc/16/50/79/274165079.db2.gz MDPUESUIIHWZJG-INIZCTEOSA-N 1 1 313.357 3.166 20 5 DGBDMO C[C@@H]1CC[C@@H]([N@@H+](C)Cc2cc([N+](=O)[O-])cc3c2OCOC3)C1 ZINC000429573255 274311485 /nfs/dbraw/zinc/31/14/85/274311485.db2.gz YSYISLOUCSKUQQ-BXUZGUMPSA-N 1 1 306.362 3.082 20 5 DGBDMO Cn1cc2c(n1)CCC[C@H]2[NH2+]Cc1cc([N+](=O)[O-])ccc1Cl ZINC000280168870 274895031 /nfs/dbraw/zinc/89/50/31/274895031.db2.gz RCFIXLQQDBPBIA-CQSZACIVSA-N 1 1 320.780 3.149 20 5 DGBDMO O=[N+]([O-])c1ccc(C[N@H+](C[C@H](O)c2ccccc2)C2CC2)cc1 ZINC000265453067 275035433 /nfs/dbraw/zinc/03/54/33/275035433.db2.gz XAHFTFAGWFWYIQ-SFHVURJKSA-N 1 1 312.369 3.293 20 5 DGBDMO O=[N+]([O-])c1ccc(C[NH2+]Cc2cccc3c2OCCCO3)cc1 ZINC000077220989 275035734 /nfs/dbraw/zinc/03/57/34/275035734.db2.gz XBVMQCVRUFVZGW-UHFFFAOYSA-N 1 1 314.341 3.046 20 5 DGBDMO O=[N+]([O-])c1ccc2c(c1)[C@H](N[C@@H]1CC[N@H+]3CCCC[C@H]13)CCC2 ZINC000278222881 275038516 /nfs/dbraw/zinc/03/85/16/275038516.db2.gz JFVSQYDKXNJGFC-KZNAEPCWSA-N 1 1 315.417 3.189 20 5 DGBDMO O=[N+]([O-])c1ccc2c(c1)[C@H]([NH2+][C@@H]1CCN3CCCC[C@H]13)CCC2 ZINC000278222881 275038517 /nfs/dbraw/zinc/03/85/17/275038517.db2.gz JFVSQYDKXNJGFC-KZNAEPCWSA-N 1 1 315.417 3.189 20 5 DGBDMO O=[N+]([O-])c1cccc(C[N@H+]2CC[C@]3(C2)OCc2ccccc23)c1 ZINC000186450159 275039172 /nfs/dbraw/zinc/03/91/72/275039172.db2.gz NEKWPAKPHQNCBV-GOSISDBHSA-N 1 1 310.353 3.226 20 5 DGBDMO CC[N@H+]1CCCC[C@@H]1CNc1ccc(C(C)=O)cc1[N+](=O)[O-] ZINC000301226722 276158179 /nfs/dbraw/zinc/15/81/79/276158179.db2.gz BZAUXHHPORGQSY-CQSZACIVSA-N 1 1 305.378 3.084 20 5 DGBDMO C[C@H](c1ccccc1[N+](=O)[O-])N1CC[N@H+](C2CCC2)C[C@H](C)C1 ZINC000429363335 278312823 /nfs/dbraw/zinc/31/28/23/278312823.db2.gz COZDRVQJQRWBAE-HUUCEWRRSA-N 1 1 317.433 3.462 20 5 DGBDMO C[C@@H]([NH2+][C@@H](C)C(=O)N1CCCCCC1)c1ccccc1[N+](=O)[O-] ZINC000331999546 278361386 /nfs/dbraw/zinc/36/13/86/278361386.db2.gz OKQGIHCZJRMHFL-KGLIPLIRSA-N 1 1 319.405 3.037 20 5 DGBDMO O=[N+]([O-])c1cc(F)ccc1N[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000068836821 431144848 /nfs/dbraw/zinc/14/48/48/431144848.db2.gz HGDPTXGIADZPLO-HNNXBMFYSA-N 1 1 315.348 3.420 20 5 DGBDMO COc1ccc(C[N@H+]2CCS[C@H](C(C)C)C2)cc1[N+](=O)[O-] ZINC000076066829 431521789 /nfs/dbraw/zinc/52/17/89/431521789.db2.gz OMIUIZGLAFHJEX-HNNXBMFYSA-N 1 1 310.419 3.177 20 5 DGBDMO CC[C@@]1(C)CCC[N@@H+](Cc2cc([N+](=O)[O-])cc3c2OCOC3)C1 ZINC000075999236 431513843 /nfs/dbraw/zinc/51/38/43/431513843.db2.gz HTOONKAUOAFYNF-KRWDZBQOSA-N 1 1 320.389 3.473 20 5 DGBDMO C[C@@H]1CC[N@@H+](Cc2nc(-c3ccc([N+](=O)[O-])cc3)no2)[C@H](C)C1 ZINC000077318820 431581710 /nfs/dbraw/zinc/58/17/10/431581710.db2.gz HIFCBHZJUGZYCA-VXGBXAGGSA-N 1 1 316.361 3.265 20 5 DGBDMO C[C@@H]1C[C@H]2CCCC[C@@H]2[N@H+]1CC(=O)Nc1ccccc1[N+](=O)[O-] ZINC000118850125 431624256 /nfs/dbraw/zinc/62/42/56/431624256.db2.gz YFDGLQJLNRAPAO-NFAWXSAZSA-N 1 1 317.389 3.186 20 5 DGBDMO Cc1cc([N+](=O)[O-])ccc1NC(=O)C[N@H+](C)C1CCC(C)CC1 ZINC000078395326 431666348 /nfs/dbraw/zinc/66/63/48/431666348.db2.gz GYBOEKLDFWTXCE-UHFFFAOYSA-N 1 1 319.405 3.352 20 5 DGBDMO C[C@H]1CCC[C@H]([N@@H+](C)CC(=O)N(C)c2ccc([N+](=O)[O-])cc2)C1 ZINC000026476953 431676639 /nfs/dbraw/zinc/67/66/39/431676639.db2.gz NEHPPDBJGCMINC-BBRMVZONSA-N 1 1 319.405 3.068 20 5 DGBDMO CC[C@H]1CC[C@H](C)[N@H+]1CC(=O)Nc1c(C)cccc1[N+](=O)[O-] ZINC000330654995 288245823 /nfs/dbraw/zinc/24/58/23/288245823.db2.gz MHONSHHZTGGOTO-STQMWFEESA-N 1 1 305.378 3.105 20 5 DGBDMO CCOCc1ccccc1C[NH2+]Cc1csc([N+](=O)[O-])c1 ZINC000037762341 431849423 /nfs/dbraw/zinc/84/94/23/431849423.db2.gz NJFATMWRUOULQZ-UHFFFAOYSA-N 1 1 306.387 3.483 20 5 DGBDMO C[C@@H]1CC[N@@H+](Cc2nc(-c3cccc([N+](=O)[O-])c3)no2)C[C@@H]1C ZINC000123029203 431852177 /nfs/dbraw/zinc/85/21/77/431852177.db2.gz MMXDOJPTDYIMFV-NEPJUHHUSA-N 1 1 316.361 3.123 20 5 DGBDMO Cc1ccc(C[N@H+](C)[C@H]2CCCc3c2cnn3C)cc1[N+](=O)[O-] ZINC000093863898 431919006 /nfs/dbraw/zinc/91/90/06/431919006.db2.gz ZLQAASSMVXWPOF-HNNXBMFYSA-N 1 1 314.389 3.146 20 5 DGBDMO C[C@H]1CCC[N@@H+](Cc2coc(-c3ccc([N+](=O)[O-])cc3)n2)C1 ZINC000089883463 431883761 /nfs/dbraw/zinc/88/37/61/431883761.db2.gz RKXLVANFCNNCSG-LBPRGKRZSA-N 1 1 301.346 3.482 20 5 DGBDMO CC(C)CC[C@@H]1CCCC[N@H+]1CCn1cc([N+](=O)[O-])ccc1=O ZINC000090559528 431892508 /nfs/dbraw/zinc/89/25/08/431892508.db2.gz NGBVZWZOCMLAGQ-HNNXBMFYSA-N 1 1 321.421 3.047 20 5 DGBDMO C[C@H](O)CC[N@@H+](C)Cc1ccc(-c2ccc([N+](=O)[O-])cc2)o1 ZINC000127665519 431977169 /nfs/dbraw/zinc/97/71/69/431977169.db2.gz XFKDZJVWJHPAKY-LBPRGKRZSA-N 1 1 304.346 3.058 20 5 DGBDMO C[C@@H](O)CC[N@@H+](C)Cc1ccc(-c2cccc([N+](=O)[O-])c2)o1 ZINC000127678838 431977971 /nfs/dbraw/zinc/97/79/71/431977971.db2.gz OXFIBGPOBCEPFQ-GFCCVEGCSA-N 1 1 304.346 3.058 20 5 DGBDMO CC[N@H+](Cc1cn(C)nc1-c1ccc([N+](=O)[O-])cc1)CC1CC1 ZINC000125624625 431931642 /nfs/dbraw/zinc/93/16/42/431931642.db2.gz JRPAWHWLCVNQNZ-UHFFFAOYSA-N 1 1 314.389 3.227 20 5 DGBDMO Cc1ccc([N+](=O)[O-])cc1[C@H](C)[N@H+]1CC[C@H](n2cccn2)C1 ZINC000292001290 281022029 /nfs/dbraw/zinc/02/20/29/281022029.db2.gz XKEXKNIZADJLLC-ZFWWWQNUSA-N 1 1 300.362 3.108 20 5 DGBDMO CC(C)C[C@@]1(CO)CCC[N@H+]1CCc1ccc([N+](=O)[O-])cc1 ZINC000191655102 432288086 /nfs/dbraw/zinc/28/80/86/432288086.db2.gz JFPBEJSYGIEPPP-QGZVFWFLSA-N 1 1 306.406 3.010 20 5 DGBDMO C[C@H](C[N@H+]1CCC[C@@H](C)C1)N[C@@H](C)c1ccc([N+](=O)[O-])cc1 ZINC000151971244 432291812 /nfs/dbraw/zinc/29/18/12/432291812.db2.gz UKVGOHOFXIBDSJ-KFWWJZLASA-N 1 1 305.422 3.366 20 5 DGBDMO C[C@H](CN1CCC[C@@H](C)C1)[NH2+][C@@H](C)c1ccc([N+](=O)[O-])cc1 ZINC000151971244 432291814 /nfs/dbraw/zinc/29/18/14/432291814.db2.gz UKVGOHOFXIBDSJ-KFWWJZLASA-N 1 1 305.422 3.366 20 5 DGBDMO COc1cc(C[N@@H+]2CCS[C@H](C)CC2)c([N+](=O)[O-])cc1F ZINC000192178062 432341144 /nfs/dbraw/zinc/34/11/44/432341144.db2.gz DPQYWCICFFJQBX-SNVBAGLBSA-N 1 1 314.382 3.070 20 5 DGBDMO COc1cc(C[N@H+]2CCS[C@H](C)CC2)c([N+](=O)[O-])cc1F ZINC000192178062 432341146 /nfs/dbraw/zinc/34/11/46/432341146.db2.gz DPQYWCICFFJQBX-SNVBAGLBSA-N 1 1 314.382 3.070 20 5 DGBDMO CCCn1cc[nH+]c1CCCN(C)c1ccccc1[N+](=O)[O-] ZINC000192236469 432348689 /nfs/dbraw/zinc/34/86/89/432348689.db2.gz LBDOBMGGJPRBKB-UHFFFAOYSA-N 1 1 302.378 3.270 20 5 DGBDMO CCCn1cc[nH+]c1CCCN(C)c1cccc(F)c1[N+](=O)[O-] ZINC000192236526 432349028 /nfs/dbraw/zinc/34/90/28/432349028.db2.gz WBBDYQACOMNDHN-UHFFFAOYSA-N 1 1 320.368 3.409 20 5 DGBDMO O=[N+]([O-])c1ccc(N[C@H]2CC[N@H+]3CCCC[C@H]23)c2ncccc12 ZINC000271380392 432384634 /nfs/dbraw/zinc/38/46/34/432384634.db2.gz XFVMODYXIUHGAJ-XJKSGUPXSA-N 1 1 312.373 3.182 20 5 DGBDMO C[C@@H](c1cccc([N+](=O)[O-])c1)[N@H+]1CC[C@@H](C)[C@H](n2ccnc2)C1 ZINC000252663866 432386221 /nfs/dbraw/zinc/38/62/21/432386221.db2.gz JKVGQHSLTMAJRD-JKIFEVAISA-N 1 1 314.389 3.435 20 5 DGBDMO C[N@H+](C/C=C\c1ccccc1[N+](=O)[O-])CCC(=O)OC(C)(C)C ZINC000255164968 432407370 /nfs/dbraw/zinc/40/73/70/432407370.db2.gz ILMPKJVYFFVOKS-CLFYSBASSA-N 1 1 320.389 3.272 20 5 DGBDMO CC(C)OC(=O)C[C@@H]1CCC[N@@H+](Cc2ccccc2[N+](=O)[O-])C1 ZINC000184482854 432396856 /nfs/dbraw/zinc/39/68/56/432396856.db2.gz AWMLCODPNCJPRA-AWEZNQCLSA-N 1 1 320.389 3.149 20 5 DGBDMO CCOc1cccc(N(C)CCCn2cc[nH+]c2C)c1[N+](=O)[O-] ZINC000184138237 432359781 /nfs/dbraw/zinc/35/97/81/432359781.db2.gz IZUDJCLLGPRODN-UHFFFAOYSA-N 1 1 318.377 3.025 20 5 DGBDMO COc1ccc(C[N@@H+]2CCC[C@H]2c2ccncc2)cc1[N+](=O)[O-] ZINC000153894971 432454521 /nfs/dbraw/zinc/45/45/21/432454521.db2.gz ZTNMDLCBCSZKGI-HNNXBMFYSA-N 1 1 313.357 3.336 20 5 DGBDMO COc1ccc(C[N@H+]2CCC[C@H]2c2ccncc2)cc1[N+](=O)[O-] ZINC000153894971 432454525 /nfs/dbraw/zinc/45/45/25/432454525.db2.gz ZTNMDLCBCSZKGI-HNNXBMFYSA-N 1 1 313.357 3.336 20 5 DGBDMO CC[C@H]([NH2+][C@H]1CCCc2c[nH]nc21)c1cccc([N+](=O)[O-])c1 ZINC000271495407 432407951 /nfs/dbraw/zinc/40/79/51/432407951.db2.gz LBVZDKSKRNOZFD-GJZGRUSLSA-N 1 1 300.362 3.436 20 5 DGBDMO O=[N+]([O-])c1ccc(-c2ccc(C[N@H+](CCO)C3CC3)s2)cc1 ZINC000153595567 432423732 /nfs/dbraw/zinc/42/37/32/432423732.db2.gz IBASDLDLHWKVDK-UHFFFAOYSA-N 1 1 318.398 3.280 20 5 DGBDMO CCOc1ccc([C@H](C)NC[C@@H](C)[N@H+](C)C2CC2)cc1[N+](=O)[O-] ZINC000153624046 432425931 /nfs/dbraw/zinc/42/59/31/432425931.db2.gz YMRVYXYHGUNELX-OLZOCXBDSA-N 1 1 321.421 3.127 20 5 DGBDMO CCOc1ccc([C@H](C)NC[C@@H](C)[N@@H+](C)C2CC2)cc1[N+](=O)[O-] ZINC000153624046 432425935 /nfs/dbraw/zinc/42/59/35/432425935.db2.gz YMRVYXYHGUNELX-OLZOCXBDSA-N 1 1 321.421 3.127 20 5 DGBDMO CCC[N@@H+](CCC(=O)Nc1cc([N+](=O)[O-])ccc1F)CC1CC1 ZINC000185151537 432471987 /nfs/dbraw/zinc/47/19/87/432471987.db2.gz MROLHZYZFVJVNF-UHFFFAOYSA-N 1 1 323.368 3.185 20 5 DGBDMO COCC[C@@H]([NH2+]Cc1csc([N+](=O)[O-])c1)c1ccc(C)o1 ZINC000272326631 432482536 /nfs/dbraw/zinc/48/25/36/432482536.db2.gz RERNUSSMPBHLOJ-GFCCVEGCSA-N 1 1 310.375 3.425 20 5 DGBDMO Cc1nn(C)cc1C[N@@H+](Cc1ccc([N+](=O)[O-])cc1)C(C)C ZINC000154461776 432499500 /nfs/dbraw/zinc/49/95/00/432499500.db2.gz GYJNXYGOCGOZEN-UHFFFAOYSA-N 1 1 302.378 3.047 20 5 DGBDMO O=[N+]([O-])c1ccn(CC[N@H+]2CCC[C@H]2c2ccccc2Cl)n1 ZINC000176213008 432501837 /nfs/dbraw/zinc/50/18/37/432501837.db2.gz SFTSJKIQPRIUSQ-AWEZNQCLSA-N 1 1 320.780 3.282 20 5 DGBDMO C[C@H]1C[C@@H](c2ccccc2F)[N@@H+](CCn2ccc([N+](=O)[O-])n2)C1 ZINC000176270159 432505142 /nfs/dbraw/zinc/50/51/42/432505142.db2.gz VBINIWFCHKRQBF-WFASDCNBSA-N 1 1 318.352 3.014 20 5 DGBDMO C[C@@H]1C[C@H](c2ccccc2F)[N@@H+](CCn2ccc([N+](=O)[O-])n2)C1 ZINC000176270113 432505658 /nfs/dbraw/zinc/50/56/58/432505658.db2.gz VBINIWFCHKRQBF-IUODEOHRSA-N 1 1 318.352 3.014 20 5 DGBDMO C[N@@H+](Cc1ccccc1[N+](=O)[O-])C[C@@H]1OCCc2ccccc21 ZINC000263656951 432563499 /nfs/dbraw/zinc/56/34/99/432563499.db2.gz CXHBXWPZTWMLEK-SFHVURJKSA-N 1 1 312.369 3.341 20 5 DGBDMO C[N@H+](Cc1ccccc1[N+](=O)[O-])C[C@@H]1OCCc2ccccc21 ZINC000263656951 432563503 /nfs/dbraw/zinc/56/35/03/432563503.db2.gz CXHBXWPZTWMLEK-SFHVURJKSA-N 1 1 312.369 3.341 20 5 DGBDMO CCC(C)(C)[C@H]1CCC[N@H+]1Cc1ccc(C(N)=O)cc1[N+](=O)[O-] ZINC000156794804 432607754 /nfs/dbraw/zinc/60/77/54/432607754.db2.gz YZMBZQGZZDBCJB-OAHLLOKOSA-N 1 1 319.405 3.094 20 5 DGBDMO Cc1c([C@H](C)[NH2+][C@@H](CCO)c2ccco2)cccc1[N+](=O)[O-] ZINC000186556326 432607906 /nfs/dbraw/zinc/60/79/06/432607906.db2.gz NAAIWPJQMAWHHO-JSGCOSHPSA-N 1 1 304.346 3.271 20 5 DGBDMO Cc1c([C@@H](C)NCC[NH+]2CCC(C)CC2)cccc1[N+](=O)[O-] ZINC000156003375 432586299 /nfs/dbraw/zinc/58/62/99/432586299.db2.gz ZWORPFMIYHHADI-OAHLLOKOSA-N 1 1 305.422 3.286 20 5 DGBDMO Cn1c2ccccc2nc1C[N@@H+](C)CCc1ccc([N+](=O)[O-])cc1 ZINC000177207658 432596876 /nfs/dbraw/zinc/59/68/76/432596876.db2.gz MFWXXMAHSVOHKZ-UHFFFAOYSA-N 1 1 324.384 3.156 20 5 DGBDMO CC[C@H]([NH2+][C@@H](CCO)c1ccco1)c1cccc([N+](=O)[O-])c1 ZINC000186520335 432604269 /nfs/dbraw/zinc/60/42/69/432604269.db2.gz UYNQHCFAMCKSLX-GJZGRUSLSA-N 1 1 304.346 3.352 20 5 DGBDMO CCOc1ccc([N+](=O)[O-])cc1C[N@@H+]1CC[C@@H](OCC(C)C)C1 ZINC000177416270 432622474 /nfs/dbraw/zinc/62/24/74/432622474.db2.gz QZNUKJVVZLOQRT-MRXNPFEDSA-N 1 1 322.405 3.240 20 5 DGBDMO CCOc1ccc([N+](=O)[O-])cc1C[N@H+]1CC[C@@H](OCC(C)C)C1 ZINC000177416270 432622477 /nfs/dbraw/zinc/62/24/77/432622477.db2.gz QZNUKJVVZLOQRT-MRXNPFEDSA-N 1 1 322.405 3.240 20 5 DGBDMO O=C(Nc1cccc([N+](=O)[O-])c1)[C@@H]1CC[N@H+](C2CCCCC2)C1 ZINC000177611608 432641988 /nfs/dbraw/zinc/64/19/88/432641988.db2.gz GLBNIXOSJTZRPZ-CYBMUJFWSA-N 1 1 317.389 3.188 20 5 DGBDMO Cc1ccc([C@@H](C)[NH2+]Cc2cn3ccsc3n2)cc1[N+](=O)[O-] ZINC000177759538 432657425 /nfs/dbraw/zinc/65/74/25/432657425.db2.gz DJRXXUPOWRERMW-LLVKDONJSA-N 1 1 316.386 3.463 20 5 DGBDMO O=[N+]([O-])c1c2cccnc2ccc1N1CCC[C@@H](c2[nH]cc[nH+]2)C1 ZINC000264822627 432664910 /nfs/dbraw/zinc/66/49/10/432664910.db2.gz GKGBGBVXXRIITD-GFCCVEGCSA-N 1 1 323.356 3.250 20 5 DGBDMO C[C@H]1CCCC[N@H+]1C[C@H]1CCCN(c2ccc([N+](=O)[O-])cn2)C1 ZINC000265056679 432666324 /nfs/dbraw/zinc/66/63/24/432666324.db2.gz MFZMMZYBRNAQKT-LSDHHAIUSA-N 1 1 318.421 3.081 20 5 DGBDMO COc1cccc(C[N@H+](Cc2cccc([N+](=O)[O-])c2)C2CC2)n1 ZINC000177999500 432683948 /nfs/dbraw/zinc/68/39/48/432683948.db2.gz SMAOXNWVSCNOFE-UHFFFAOYSA-N 1 1 313.357 3.163 20 5 DGBDMO COc1cccc(C[N@@H+](Cc2cccc([N+](=O)[O-])c2)C2CC2)n1 ZINC000177999500 432683951 /nfs/dbraw/zinc/68/39/51/432683951.db2.gz SMAOXNWVSCNOFE-UHFFFAOYSA-N 1 1 313.357 3.163 20 5 DGBDMO CC(C)[N@H+](Cc1ccc([N+](=O)[O-])cc1)C[C@@H](O)CC(F)(F)F ZINC000188879455 432751070 /nfs/dbraw/zinc/75/10/70/432751070.db2.gz VIJIIJFJQJCOCR-ZDUSSCGKSA-N 1 1 320.311 3.119 20 5 DGBDMO C[C@H](C(=O)N[C@@H](C)c1cccc([N+](=O)[O-])c1)[N@@H+]1[C@H](C)CC[C@@H]1C ZINC000245201300 432824897 /nfs/dbraw/zinc/82/48/97/432824897.db2.gz HBDAMDQTGRTRMB-RFQIPJPRSA-N 1 1 319.405 3.033 20 5 DGBDMO C[C@H](c1nnc(-c2ccc([N+](=O)[O-])cc2)o1)[N@H+]1CCC[C@@H]1C ZINC000245444579 432831829 /nfs/dbraw/zinc/83/18/29/432831829.db2.gz JTWGGZOIRVTREN-WDEREUQCSA-N 1 1 302.334 3.190 20 5 DGBDMO Cc1ccc([N+](=O)[O-])cc1NC(=O)C[N@H+]1CCC[C@H]2CCC[C@H]21 ZINC000245466763 432834876 /nfs/dbraw/zinc/83/48/76/432834876.db2.gz ZFKKPMXIHJJQLI-CZUORRHYSA-N 1 1 317.389 3.106 20 5 DGBDMO Cn1cccc1[C@H]1CCC[N@@H+]1Cc1ccc([N+](=O)[O-])cc1F ZINC000267007557 432805984 /nfs/dbraw/zinc/80/59/84/432805984.db2.gz KQHOGJMPTYZFSQ-MRXNPFEDSA-N 1 1 303.337 3.410 20 5 DGBDMO Cn1cccc1[C@H]1CCC[N@H+]1Cc1ccc([N+](=O)[O-])cc1F ZINC000267007557 432805986 /nfs/dbraw/zinc/80/59/86/432805986.db2.gz KQHOGJMPTYZFSQ-MRXNPFEDSA-N 1 1 303.337 3.410 20 5 DGBDMO CC[N@@H+](C)C[C@@H]1CCN([C@H](C)c2cc([N+](=O)[O-])ccc2C)C1 ZINC000245521596 432838941 /nfs/dbraw/zinc/83/89/41/432838941.db2.gz KYSJMJIAVXXARN-CABCVRRESA-N 1 1 305.422 3.238 20 5 DGBDMO C[C@@H]1CC[N@@H+](Cc2cn(C)nc2-c2ccc([N+](=O)[O-])cc2)[C@H]1C ZINC000245722826 432858920 /nfs/dbraw/zinc/85/89/20/432858920.db2.gz DMUMUXOINANPEP-OLZOCXBDSA-N 1 1 314.389 3.226 20 5 DGBDMO CC(C)(C)[C@@H]1CCC[N@H+]1CC(=O)Nc1ccccc1[N+](=O)[O-] ZINC000330615686 432920628 /nfs/dbraw/zinc/92/06/28/432920628.db2.gz CQNQANAUFXKBOT-AWEZNQCLSA-N 1 1 305.378 3.044 20 5 DGBDMO C[C@@H](c1ccccc1[N+](=O)[O-])[N@@H+]1CC[C@@H](n2cc(Cl)cn2)C1 ZINC000290077431 432988510 /nfs/dbraw/zinc/98/85/10/432988510.db2.gz YTLBCDUKJSCGHX-WCQYABFASA-N 1 1 320.780 3.453 20 5 DGBDMO C[C@@H](c1ccccc1[N+](=O)[O-])[N@H+]1CC[C@@H](n2cc(Cl)cn2)C1 ZINC000290077431 432988513 /nfs/dbraw/zinc/98/85/13/432988513.db2.gz YTLBCDUKJSCGHX-WCQYABFASA-N 1 1 320.780 3.453 20 5 DGBDMO CC[C@H]([NH2+]Cc1c([N+](=O)[O-])ncn1C)c1ccc(Cl)cc1 ZINC000341222845 432995907 /nfs/dbraw/zinc/99/59/07/432995907.db2.gz SSZVVEGZVJFGJW-LBPRGKRZSA-N 1 1 308.769 3.223 20 5 DGBDMO CC[C@@H]([NH2+]Cc1c([N+](=O)[O-])ncn1C)c1ccc(Cl)cc1 ZINC000341222843 432997077 /nfs/dbraw/zinc/99/70/77/432997077.db2.gz SSZVVEGZVJFGJW-GFCCVEGCSA-N 1 1 308.769 3.223 20 5 DGBDMO CCC[C@@H](C)[N@@H+](C)CCC(=O)Nc1ccc([N+](=O)[O-])cc1OC ZINC000297841716 433022897 /nfs/dbraw/zinc/02/28/97/433022897.db2.gz KPFKLJJCYKJVFP-GFCCVEGCSA-N 1 1 323.393 3.052 20 5 DGBDMO Cc1ccc(C)c([C@@H](C)[N@@H+](C)CCn2cc([N+](=O)[O-])cn2)c1 ZINC000350121564 433085010 /nfs/dbraw/zinc/08/50/10/433085010.db2.gz HWRYZCHBNZAENL-CQSZACIVSA-N 1 1 302.378 3.101 20 5 DGBDMO O=[N+]([O-])c1ccc2c(c1)C[N@H+](CCc1ccc3c(c1)CCO3)CC2 ZINC000446734203 433095112 /nfs/dbraw/zinc/09/51/12/433095112.db2.gz CSGUFGIBLJDPMN-UHFFFAOYSA-N 1 1 324.380 3.131 20 5 DGBDMO Cc1cc([N+](=O)[O-])ccc1C[NH2+][C@@H]1COc2ccc(F)cc21 ZINC000341548662 433126500 /nfs/dbraw/zinc/12/65/00/433126500.db2.gz JTRQDEQOLITCMT-OAHLLOKOSA-N 1 1 302.305 3.266 20 5 DGBDMO O=[N+]([O-])c1ccccc1CN(c1[nH+]cnc2[nH]ccc21)C1CC1 ZINC000446975966 433138651 /nfs/dbraw/zinc/13/86/51/433138651.db2.gz FFJMCTRMPWTARH-UHFFFAOYSA-N 1 1 309.329 3.035 20 5 DGBDMO Cc1cnn([C@@H]2CC[N@@H+](C/C=C/c3ccccc3[N+](=O)[O-])C2)c1 ZINC000290795309 433170868 /nfs/dbraw/zinc/17/08/68/433170868.db2.gz DWUXUOXUFGJKNP-MQDFFIGUSA-N 1 1 312.373 3.060 20 5 DGBDMO CC[N@@H+](CCC(=O)Nc1ccc([N+](=O)[O-])cc1)CC1CCC1 ZINC000361479853 433195336 /nfs/dbraw/zinc/19/53/36/433195336.db2.gz ACSAKTGKWQWUJG-UHFFFAOYSA-N 1 1 305.378 3.045 20 5 DGBDMO C[C@H](CO)[N@H+](Cc1c(Cl)cccc1[N+](=O)[O-])CC1CCC1 ZINC000361494072 433206073 /nfs/dbraw/zinc/20/60/73/433206073.db2.gz WKGOLMYQXNMGPC-LLVKDONJSA-N 1 1 312.797 3.231 20 5 DGBDMO O=[N+]([O-])c1ccc2c(c1)[C@@H](NCC[NH+]1CCCCCC1)CCC2 ZINC000447527058 433214095 /nfs/dbraw/zinc/21/40/95/433214095.db2.gz DVYXBDXZLDRQRP-SFHVURJKSA-N 1 1 317.433 3.438 20 5 DGBDMO C[C@@H]1CCC[N@H+](CCN[C@@H]2CCCc3ccc([N+](=O)[O-])cc32)C1 ZINC000447550424 433223441 /nfs/dbraw/zinc/22/34/41/433223441.db2.gz NAKPTNGDLQGMHO-RDTXWAMCSA-N 1 1 317.433 3.294 20 5 DGBDMO C[C@@H]1CCC[N@@H+](CCN[C@@H]2CCCc3ccc([N+](=O)[O-])cc32)C1 ZINC000447550424 433223448 /nfs/dbraw/zinc/22/34/48/433223448.db2.gz NAKPTNGDLQGMHO-RDTXWAMCSA-N 1 1 317.433 3.294 20 5 DGBDMO Cc1cccc(C[N@H+](CCn2cc([N+](=O)[O-])cn2)CC(C)C)c1 ZINC000350731641 433268558 /nfs/dbraw/zinc/26/85/58/433268558.db2.gz CQRRFEFRYNDRKG-UHFFFAOYSA-N 1 1 316.405 3.258 20 5 DGBDMO CCC(C)(C)[N@@H+](C)CCC(=O)Nc1ccc(OC)cc1[N+](=O)[O-] ZINC000298749953 433238188 /nfs/dbraw/zinc/23/81/88/433238188.db2.gz WJDMTHQESRYHEA-UHFFFAOYSA-N 1 1 323.393 3.052 20 5 DGBDMO CC[N@H+](Cc1cc([N+](=O)[O-])ccc1OC(C)C)C[C@H](C)OC ZINC000361565249 433250301 /nfs/dbraw/zinc/25/03/01/433250301.db2.gz OQMHISUJWNSMDR-ZDUSSCGKSA-N 1 1 310.394 3.239 20 5 DGBDMO CC(C)(C)OC(=O)[C@]1(C)CC[N@@H+](Cc2ccccc2[N+](=O)[O-])C1 ZINC000453627190 433251160 /nfs/dbraw/zinc/25/11/60/433251160.db2.gz UYTGDMRMCOJEKI-QGZVFWFLSA-N 1 1 320.389 3.149 20 5 DGBDMO O=[N+]([O-])c1ccc(C[N@H+]2CC[C@@H]([C@@H]3CCOC3)C2)c(Cl)c1 ZINC000374715943 433262534 /nfs/dbraw/zinc/26/25/34/433262534.db2.gz OIKVDYFWUPLIAL-DGCLKSJQSA-N 1 1 310.781 3.107 20 5 DGBDMO CC1(C)C[C@@H](c2ccccc2)[N@@H+](CCn2cc([N+](=O)[O-])cn2)C1 ZINC000425550495 433292854 /nfs/dbraw/zinc/29/28/54/433292854.db2.gz ZPUBDYWPAHZXDD-INIZCTEOSA-N 1 1 314.389 3.265 20 5 DGBDMO Cn1cnc([N+](=O)[O-])c1C[N@@H+]1CC(C)(C)C[C@H]1c1ccccc1 ZINC000425543456 433295110 /nfs/dbraw/zinc/29/51/10/433295110.db2.gz PLOSLEYUISIWDR-AWEZNQCLSA-N 1 1 314.389 3.302 20 5 DGBDMO Cn1cnc([N+](=O)[O-])c1C[N@H+]1CC(C)(C)C[C@H]1c1ccccc1 ZINC000425543456 433295119 /nfs/dbraw/zinc/29/51/19/433295119.db2.gz PLOSLEYUISIWDR-AWEZNQCLSA-N 1 1 314.389 3.302 20 5 DGBDMO O=[N+]([O-])c1ccc2[nH]c(C[N@H+]3CC[C@@H](C4CCCC4)C3)nc2c1 ZINC000420963848 433353096 /nfs/dbraw/zinc/35/30/96/433353096.db2.gz OIJVMMAPIWJUKF-CYBMUJFWSA-N 1 1 314.389 3.483 20 5 DGBDMO C[C@@H]1CCC[N@@H+](CCNc2ccc3cc([N+](=O)[O-])ccc3n2)C1 ZINC000301125042 433424099 /nfs/dbraw/zinc/42/40/99/433424099.db2.gz ZQRWWGRFBJYBEM-CYBMUJFWSA-N 1 1 314.389 3.287 20 5 DGBDMO C[N@@H+](CCNc1ccc([N+](=O)[O-])c2cnccc12)C1CCCC1 ZINC000301198645 433451728 /nfs/dbraw/zinc/45/17/28/433451728.db2.gz OLRAHKRJPBSUIX-UHFFFAOYSA-N 1 1 314.389 3.429 20 5 DGBDMO C[C@H]([NH2+]Cc1cccc([N+](=O)[O-])c1)c1nc2c(s1)CCC2 ZINC000355109225 433467148 /nfs/dbraw/zinc/46/71/48/433467148.db2.gz ASHUCOJSJQGCLK-JTQLQIEISA-N 1 1 303.387 3.391 20 5 DGBDMO Cc1ccnc(NCCCC[N@@H+]2C[C@H](C)C[C@H](C)C2)c1[N+](=O)[O-] ZINC000301266909 433480279 /nfs/dbraw/zinc/48/02/79/433480279.db2.gz GTXBOMBFFLWZJV-OKILXGFUSA-N 1 1 320.437 3.468 20 5 DGBDMO Cc1ccnc(NC[C@H](C)[N@@H+](C)Cc2ccccc2)c1[N+](=O)[O-] ZINC000301282527 433483756 /nfs/dbraw/zinc/48/37/56/433483756.db2.gz KNTAGWQTDXJYMK-AWEZNQCLSA-N 1 1 314.389 3.231 20 5 DGBDMO COc1cc(NC[C@H](C)[N@H+]2CCC[C@@H](C)C2)ccc1[N+](=O)[O-] ZINC000301327944 433512308 /nfs/dbraw/zinc/51/23/08/433512308.db2.gz AAKPDMOGUHGXHF-OLZOCXBDSA-N 1 1 307.394 3.136 20 5 DGBDMO CC[C@]1(CO)CCC[N@H+]1Cc1ccc(C(C)C)c([N+](=O)[O-])c1 ZINC000351500030 433533734 /nfs/dbraw/zinc/53/37/34/433533734.db2.gz FXKIWIMYIMTZGV-QGZVFWFLSA-N 1 1 306.406 3.455 20 5 DGBDMO C[C@@H]1CN(c2ccc([N+](=O)[O-])c(C(F)(F)F)c2)[C@@H](C)C[N@H+]1C ZINC000351499956 433534027 /nfs/dbraw/zinc/53/40/27/433534027.db2.gz DSTHIKNFVLCTHS-ZJUUUORDSA-N 1 1 317.311 3.142 20 5 DGBDMO C[C@@H]1CN(c2ccc(C(F)(F)F)cc2[N+](=O)[O-])[C@@H](C)C[N@H+]1C ZINC000351504694 433535564 /nfs/dbraw/zinc/53/55/64/433535564.db2.gz KSBADSAOOHKQDH-ZJUUUORDSA-N 1 1 317.311 3.142 20 5 DGBDMO C[C@@H]1C[N@@H+](C)[C@H](C)CN1c1ccc(C(F)(F)F)cc1[N+](=O)[O-] ZINC000351504691 433535685 /nfs/dbraw/zinc/53/56/85/433535685.db2.gz KSBADSAOOHKQDH-NXEZZACHSA-N 1 1 317.311 3.142 20 5 DGBDMO CC[C@H]1CCCC[N@H+]1CCNc1ccc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000301303223 433497561 /nfs/dbraw/zinc/49/75/61/433497561.db2.gz YPUVNMCNTNTYML-LBPRGKRZSA-N 1 1 322.365 3.179 20 5 DGBDMO CC(C)c1ccc(C[N@H+]2C[C@H](C)C[C@@H](CO)C2)cc1[N+](=O)[O-] ZINC000421359794 433500053 /nfs/dbraw/zinc/50/00/53/433500053.db2.gz GWONJBFMHFIYBE-UKRRQHHQSA-N 1 1 306.406 3.169 20 5 DGBDMO CC(C)c1ccc(C[N@@H+]2C[C@H](CO)C[C@H](C)C2)cc1[N+](=O)[O-] ZINC000421359792 433501995 /nfs/dbraw/zinc/50/19/95/433501995.db2.gz GWONJBFMHFIYBE-DZGCQCFKSA-N 1 1 306.406 3.169 20 5 DGBDMO C/C(=C/c1cccc([N+](=O)[O-])c1)CN(C)C[C@H]1CCC[N@H+]1C ZINC000421412953 433556374 /nfs/dbraw/zinc/55/63/74/433556374.db2.gz UVWANEJGXJGZOG-OOXMNIKJSA-N 1 1 303.406 3.024 20 5 DGBDMO C/C(=C/c1cccc([N+](=O)[O-])c1)C[N@@H+](C)C[C@H]1CCCN1C ZINC000421412953 433556383 /nfs/dbraw/zinc/55/63/83/433556383.db2.gz UVWANEJGXJGZOG-OOXMNIKJSA-N 1 1 303.406 3.024 20 5 DGBDMO C/C(=C/c1cccc([N+](=O)[O-])c1)C[N@H+](C)C[C@H]1CCCN1C ZINC000421412953 433556393 /nfs/dbraw/zinc/55/63/93/433556393.db2.gz UVWANEJGXJGZOG-OOXMNIKJSA-N 1 1 303.406 3.024 20 5 DGBDMO C[C@@H]1CC[C@H](c2ccccc2)[N@H+](Cc2c([N+](=O)[O-])ncn2C)C1 ZINC000375760756 433557914 /nfs/dbraw/zinc/55/79/14/433557914.db2.gz UDSWOLURNOLIEN-UKRRQHHQSA-N 1 1 314.389 3.302 20 5 DGBDMO C[C@@H]1CC[C@H](c2ccccc2)[N@@H+](Cc2c([N+](=O)[O-])ncn2C)C1 ZINC000375760756 433557919 /nfs/dbraw/zinc/55/79/19/433557919.db2.gz UDSWOLURNOLIEN-UKRRQHHQSA-N 1 1 314.389 3.302 20 5 DGBDMO COCc1cc([N+](=O)[O-])ccc1NC[C@H](C)[N@H+]1CCC[C@H](C)C1 ZINC000301446859 433562081 /nfs/dbraw/zinc/56/20/81/433562081.db2.gz QHLQBGQPGIFXJM-KBPBESRZSA-N 1 1 321.421 3.274 20 5 DGBDMO COc1cc(C[NH+]2CCC(C(F)F)CC2)c([N+](=O)[O-])cc1F ZINC000362312840 433635745 /nfs/dbraw/zinc/63/57/45/433635745.db2.gz BASPIWNIJLIYTO-UHFFFAOYSA-N 1 1 318.295 3.220 20 5 DGBDMO Cc1nc(NCCCC[N@@H+]2CCCC[C@H]2C)ccc1[N+](=O)[O-] ZINC000301621705 433642490 /nfs/dbraw/zinc/64/24/90/433642490.db2.gz FLWXNTWFJPYHSJ-CYBMUJFWSA-N 1 1 306.410 3.365 20 5 DGBDMO CC[N@H+]1CCCC[C@H]1CNc1ccc2cc([N+](=O)[O-])ccc2n1 ZINC000301570545 433618430 /nfs/dbraw/zinc/61/84/30/433618430.db2.gz XXFXUQBVEZUXRU-HNNXBMFYSA-N 1 1 314.389 3.429 20 5 DGBDMO Cc1ccc(C[N@H+]2C[C@@H](O)C[C@H]2c2ccccc2)cc1[N+](=O)[O-] ZINC000414491063 433660926 /nfs/dbraw/zinc/66/09/26/433660926.db2.gz WPAJSZKRBUZXBH-WMZOPIPTSA-N 1 1 312.369 3.211 20 5 DGBDMO CC[C@@]1(C)CCC[N@@H+]([C@H](C)C(=O)Nc2ccccc2[N+](=O)[O-])C1 ZINC000362384443 433678964 /nfs/dbraw/zinc/67/89/64/433678964.db2.gz FRYMOGRQGOOXFN-DYVFJYSZSA-N 1 1 319.405 3.434 20 5 DGBDMO CC[C@@]1(C)CCC[N@H+]([C@H](C)C(=O)Nc2ccccc2[N+](=O)[O-])C1 ZINC000362384443 433678974 /nfs/dbraw/zinc/67/89/74/433678974.db2.gz FRYMOGRQGOOXFN-DYVFJYSZSA-N 1 1 319.405 3.434 20 5 DGBDMO C[N@H+]1CCC[C@@H]2CN(c3ccc(Cl)cc3[N+](=O)[O-])CC[C@@H]21 ZINC000301720427 433691878 /nfs/dbraw/zinc/69/18/78/433691878.db2.gz PVGRJBSMJFNPFU-YPMHNXCESA-N 1 1 309.797 3.169 20 5 DGBDMO Cc1cc([N+](=O)[O-])ccc1NCCCC[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000301725430 433695866 /nfs/dbraw/zinc/69/58/66/433695866.db2.gz POOFKHOEEHCMAJ-GASCZTMLSA-N 1 1 321.421 3.205 20 5 DGBDMO C[C@H](C[N@H+]1CCC[C@H](C)C1)Nc1ncc(Cl)cc1[N+](=O)[O-] ZINC000301748828 433706657 /nfs/dbraw/zinc/70/66/57/433706657.db2.gz SPBHTQMSGCAZET-WDEREUQCSA-N 1 1 312.801 3.176 20 5 DGBDMO Cc1cc([N+](=O)[O-])ccc1N1CC[C@H]2[C@@H](CCC[N@H+]2C2CC2)C1 ZINC000301764919 433712094 /nfs/dbraw/zinc/71/20/94/433712094.db2.gz GYFQDACCVJCBLP-KSSFIOAISA-N 1 1 315.417 3.356 20 5 DGBDMO O=[N+]([O-])c1cccc2c(N3CCC(c4[nH]cc[nH+]4)CC3)ccnc21 ZINC000432340239 433823059 /nfs/dbraw/zinc/82/30/59/433823059.db2.gz XOXSXIPTYOLDMV-UHFFFAOYSA-N 1 1 323.356 3.250 20 5 DGBDMO CN(CC[N@@H+](C)Cc1ccccc1)Cc1ccccc1[N+](=O)[O-] ZINC000429732525 433782325 /nfs/dbraw/zinc/78/23/25/433782325.db2.gz XGSWYQNTYHXNSN-UHFFFAOYSA-N 1 1 313.401 3.159 20 5 DGBDMO CCC(CC)[N@@H+](CCOC)Cc1ccc([N+](=O)[O-])cc1OC ZINC000430221411 433790221 /nfs/dbraw/zinc/79/02/21/433790221.db2.gz RNQODKRBWWFXBN-UHFFFAOYSA-N 1 1 310.394 3.240 20 5 DGBDMO CC[N@H+]1CCCC[C@@H]1CNc1cc(OC)c([N+](=O)[O-])cc1F ZINC000301919245 433796090 /nfs/dbraw/zinc/79/60/90/433796090.db2.gz IMPIIBJPVPMCJP-LLVKDONJSA-N 1 1 311.357 3.029 20 5 DGBDMO CCOc1cc(C[N@H+]2CCCO[C@H](C(C)C)C2)ccc1[N+](=O)[O-] ZINC000339823001 433804174 /nfs/dbraw/zinc/80/41/74/433804174.db2.gz RBCKHNQXQPPFAL-KRWDZBQOSA-N 1 1 322.405 3.240 20 5 DGBDMO C[C@H]1[C@H](Nc2ccc3ncccc3c2[N+](=O)[O-])CCC[N@H+]1C ZINC000343424070 433805762 /nfs/dbraw/zinc/80/57/62/433805762.db2.gz CIDIWZACOJMOLC-WCQYABFASA-N 1 1 300.362 3.038 20 5 DGBDMO CCOc1ccc([N+](=O)[O-])cc1C[N@@H+]1CCCO[C@@H](C(C)C)C1 ZINC000339819077 433805692 /nfs/dbraw/zinc/80/56/92/433805692.db2.gz AHFLQYGBXCFDDV-QGZVFWFLSA-N 1 1 322.405 3.240 20 5 DGBDMO CCOc1ccc([N+](=O)[O-])cc1C[N@H+]1CCCO[C@@H](C(C)C)C1 ZINC000339819077 433805703 /nfs/dbraw/zinc/80/57/03/433805703.db2.gz AHFLQYGBXCFDDV-QGZVFWFLSA-N 1 1 322.405 3.240 20 5 DGBDMO C[C@H](C1CCC1)[N@@H+](C)Cc1nnc(-c2ccc([N+](=O)[O-])cc2)o1 ZINC000357030931 433834994 /nfs/dbraw/zinc/83/49/94/433834994.db2.gz YJCWKHVNRDCFIH-LLVKDONJSA-N 1 1 316.361 3.265 20 5 DGBDMO O=[N+]([O-])c1ccccc1-c1ccc(CNC2CC[NH2+]CC2)s1 ZINC000414795792 433838461 /nfs/dbraw/zinc/83/84/61/433838461.db2.gz XAFQHBOLOPYFAQ-UHFFFAOYSA-N 1 1 317.414 3.165 20 5 DGBDMO COc1ccc(OCC[N@@H+](C)[C@@H](C)C2CCC2)c([N+](=O)[O-])c1 ZINC000357039771 433839276 /nfs/dbraw/zinc/83/92/76/433839276.db2.gz NVSQANTZPZHYRE-LBPRGKRZSA-N 1 1 308.378 3.103 20 5 DGBDMO O=[N+]([O-])c1ccc(CN2CCC([C@@H]3CC[NH2+]C3)CC2)c(Cl)c1 ZINC000357058615 433848220 /nfs/dbraw/zinc/84/82/20/433848220.db2.gz VWXNJIAOBTYJMD-CYBMUJFWSA-N 1 1 323.824 3.070 20 5 DGBDMO NC[C@H]([NH2+]C/C=C\c1ccccc1[N+](=O)[O-])C1CCCCC1 ZINC000414840057 433871866 /nfs/dbraw/zinc/87/18/66/433871866.db2.gz MDGKQGKTHXTWNZ-DIEDAUMRSA-N 1 1 303.406 3.105 20 5 DGBDMO O=[N+]([O-])c1ccc(-c2noc(C[N@H+]3CCC[C@H]3C3CC3)n2)cc1 ZINC000377546762 433913431 /nfs/dbraw/zinc/91/34/31/433913431.db2.gz VJXLLKLUQXSSRW-AWEZNQCLSA-N 1 1 314.345 3.019 20 5 DGBDMO C[C@@]1(CCCO)CCC[N@@H+]1Cc1c(F)cc([N+](=O)[O-])cc1F ZINC000285652687 434027750 /nfs/dbraw/zinc/02/77/50/434027750.db2.gz OPYGCXPVDRNYEP-HNNXBMFYSA-N 1 1 314.332 3.000 20 5 DGBDMO C[C@@]1(CCCO)CCC[N@H+]1Cc1c(F)cc([N+](=O)[O-])cc1F ZINC000285652687 434027762 /nfs/dbraw/zinc/02/77/62/434027762.db2.gz OPYGCXPVDRNYEP-HNNXBMFYSA-N 1 1 314.332 3.000 20 5 DGBDMO CC(C)[N@H+]1CCCC[C@H]1CN(C)Cc1ccccc1[N+](=O)[O-] ZINC000340279994 434035412 /nfs/dbraw/zinc/03/54/12/434035412.db2.gz SJOHPDBVFWYYDP-INIZCTEOSA-N 1 1 305.422 3.290 20 5 DGBDMO CC[N@H+]1CCC[C@H]1CNc1ccc([N+](=O)[O-])cc1OC(F)F ZINC000450215588 434036908 /nfs/dbraw/zinc/03/69/08/434036908.db2.gz KXDDSRWOEFLZOH-NSHDSACASA-N 1 1 315.320 3.092 20 5 DGBDMO CCC[N@H+]1CC[C@H](CNc2nccc3c2cccc3[N+](=O)[O-])C1 ZINC000450279599 434074503 /nfs/dbraw/zinc/07/45/03/434074503.db2.gz XYGONLAXLRRPKG-CYBMUJFWSA-N 1 1 314.389 3.287 20 5 DGBDMO C[C@@H]1[C@@H](Nc2cccnc2[N+](=O)[O-])CC[N@H+]1Cc1ccccc1 ZINC000309878559 434100832 /nfs/dbraw/zinc/10/08/32/434100832.db2.gz IVUKESPJGQNSIB-HIFRSBDPSA-N 1 1 312.373 3.065 20 5 DGBDMO C[C@H]1[C@@H](Nc2ccc([N+](=O)[O-])nc2)CC[N@H+]1Cc1ccccc1 ZINC000309759451 434098668 /nfs/dbraw/zinc/09/86/68/434098668.db2.gz XRAHVTNRGKDLPR-BBRMVZONSA-N 1 1 312.373 3.065 20 5 DGBDMO C[C@H]1C[C@@H](Nc2nccc3c2cccc3[N+](=O)[O-])C[N@H+]1C1CC1 ZINC000450377148 434139041 /nfs/dbraw/zinc/13/90/41/434139041.db2.gz KOCNMBPNOVBGHJ-NWDGAFQWSA-N 1 1 312.373 3.180 20 5 DGBDMO CCC[N@@H+](CC)C[C@H](C)Nc1ncc([N+](=O)[O-])cc1Cl ZINC000357775229 434174250 /nfs/dbraw/zinc/17/42/50/434174250.db2.gz ORKNUOFFDDWTOT-JTQLQIEISA-N 1 1 300.790 3.176 20 5 DGBDMO CO[C@@H]1CC[N@@H+](C/C=C/c2ccccc2[N+](=O)[O-])CC1(C)C ZINC000295104302 434199445 /nfs/dbraw/zinc/19/94/45/434199445.db2.gz VILOTEVKXPLQDM-IQIBNGDESA-N 1 1 304.390 3.355 20 5 DGBDMO CCOc1ccc([C@H](C)N[C@H](C)C[N@@H+](C)C(C)C)cc1[N+](=O)[O-] ZINC000353579891 434248701 /nfs/dbraw/zinc/24/87/01/434248701.db2.gz VYGJJUZZSMQMAT-KGLIPLIRSA-N 1 1 323.437 3.373 20 5 DGBDMO CCOc1ccc([C@H](C)[NH2+][C@H](C)CN(C)C(C)C)cc1[N+](=O)[O-] ZINC000353579891 434248707 /nfs/dbraw/zinc/24/87/07/434248707.db2.gz VYGJJUZZSMQMAT-KGLIPLIRSA-N 1 1 323.437 3.373 20 5 DGBDMO CCC1(C[NH2+][C@@H](c2nccn2C)c2cccc([N+](=O)[O-])c2)CC1 ZINC000353627168 434285587 /nfs/dbraw/zinc/28/55/87/434285587.db2.gz ZASJTYJRUNRPCG-OAHLLOKOSA-N 1 1 314.389 3.198 20 5 DGBDMO CC[C@H](CSc1ccccc1[N+](=O)[O-])NC[C@H]([NH3+])C(C)C ZINC000423279210 434333606 /nfs/dbraw/zinc/33/36/06/434333606.db2.gz RUCVKHSNOHUTAX-OLZOCXBDSA-N 1 1 311.451 3.038 20 5 DGBDMO [NH3+][C@H](CN[C@@H]1CCCc2ccc([N+](=O)[O-])cc21)c1ccccc1 ZINC000423238830 434304494 /nfs/dbraw/zinc/30/44/94/434304494.db2.gz JOXQONQIXUMZIW-QZTJIDSGSA-N 1 1 311.385 3.262 20 5 DGBDMO CC[C@@H]1CCC[N@H+]1Cc1nc(-c2cccc([N+](=O)[O-])c2)no1 ZINC000340699901 434307385 /nfs/dbraw/zinc/30/73/85/434307385.db2.gz XJVURQURWFMUSC-GFCCVEGCSA-N 1 1 302.334 3.019 20 5 DGBDMO COCCc1cc[nH+]c(N[C@H](C)c2ccc([N+](=O)[O-])cc2)c1 ZINC000287510153 434378297 /nfs/dbraw/zinc/37/82/97/434378297.db2.gz OCASOPYGVPBHCI-GFCCVEGCSA-N 1 1 301.346 3.352 20 5 DGBDMO C[C@H](CN)[NH2+][C@@H](C)c1ccc(-c2ccccc2[N+](=O)[O-])s1 ZINC000423324951 434359168 /nfs/dbraw/zinc/35/91/68/434359168.db2.gz LHCBLRXJSJRABD-MNOVXSKESA-N 1 1 305.403 3.321 20 5 DGBDMO Cc1cccn2c(C[N@@H+](C)CCc3ccccc3[N+](=O)[O-])cnc12 ZINC000348666800 434439995 /nfs/dbraw/zinc/43/99/95/434439995.db2.gz BUQFQHMOUYDWNC-UHFFFAOYSA-N 1 1 324.384 3.225 20 5 DGBDMO C[C@@H]([NH2+][C@@H](c1nccn1C)C1CC1)c1ccc([N+](=O)[O-])cc1 ZINC000353860474 434486402 /nfs/dbraw/zinc/48/64/02/434486402.db2.gz DZYLKCGHIZPCPA-IAQYHMDHSA-N 1 1 300.362 3.130 20 5 DGBDMO Cc1c(C[N@H+]2CCC[C@H]2C2CCOCC2)cccc1[N+](=O)[O-] ZINC000348946121 434560376 /nfs/dbraw/zinc/56/03/76/434560376.db2.gz DZLWLDDMCWVVLT-KRWDZBQOSA-N 1 1 304.390 3.294 20 5 DGBDMO O=[N+]([O-])c1cccc(F)c1C[N@H+]1CCC[C@@H]1C1CCOCC1 ZINC000348915601 434554646 /nfs/dbraw/zinc/55/46/46/434554646.db2.gz CATZNIVSSDAKJJ-OAHLLOKOSA-N 1 1 308.353 3.125 20 5 DGBDMO CCO[C@@H]1C[C@@H]([N@@H+](C)CCOc2ccc([N+](=O)[O-])cc2)C1(C)C ZINC000525411647 295015211 /nfs/dbraw/zinc/01/52/11/295015211.db2.gz WIECUBBKGQVXFY-HZPDHXFCSA-N 1 1 322.405 3.109 20 5 DGBDMO Cc1cc(C[N@H+]2CCC[C@H](c3ccc([N+](=O)[O-])cc3)C2)n(C)n1 ZINC000418067652 434577239 /nfs/dbraw/zinc/57/72/39/434577239.db2.gz BTCGQMXTCMPVKY-HNNXBMFYSA-N 1 1 314.389 3.016 20 5 DGBDMO C[NH+](C)C1(CNCc2ccc(-c3ccccc3[N+](=O)[O-])o2)CC1 ZINC000418116543 434592520 /nfs/dbraw/zinc/59/25/20/434592520.db2.gz QXJPIPJRXCSGBA-UHFFFAOYSA-N 1 1 315.373 3.039 20 5 DGBDMO COc1cc(C)[nH+]c(Cn2cc(-c3cccc([N+](=O)[O-])c3)cn2)c1 ZINC000349142842 434617262 /nfs/dbraw/zinc/61/72/62/434617262.db2.gz LEKXXNAWIVXFSL-UHFFFAOYSA-N 1 1 324.340 3.219 20 5 DGBDMO CCOC[C@H]1CCCC[N@H+]1C/C=C\c1ccccc1[N+](=O)[O-] ZINC000459676279 434659487 /nfs/dbraw/zinc/65/94/87/434659487.db2.gz NKYGWDQEKGUXPJ-DZFYGRHCSA-N 1 1 304.390 3.499 20 5 DGBDMO CCCC[N@H+]1CCCC[C@@H]1CNc1c([N+](=O)[O-])nc(C)n1CC ZINC000360966557 434747529 /nfs/dbraw/zinc/74/75/29/434747529.db2.gz RKLXOLUEPBONNU-CQSZACIVSA-N 1 1 323.441 3.186 20 5 DGBDMO CCCC[N@H+]1CCCC[C@H]1CNc1c([N+](=O)[O-])nc(C)n1CC ZINC000360966556 434748220 /nfs/dbraw/zinc/74/82/20/434748220.db2.gz RKLXOLUEPBONNU-AWEZNQCLSA-N 1 1 323.441 3.186 20 5 DGBDMO Cc1ccc([C@H]2CCC[N@H+]2Cc2c([N+](=O)[O-])ncn2C)cc1C ZINC000371827527 434757520 /nfs/dbraw/zinc/75/75/20/434757520.db2.gz WSPYLQWOHHDHAQ-OAHLLOKOSA-N 1 1 314.389 3.282 20 5 DGBDMO Cc1ccc([C@H]2CCC[N@@H+]2Cc2c([N+](=O)[O-])ncn2C)cc1C ZINC000371827527 434757527 /nfs/dbraw/zinc/75/75/27/434757527.db2.gz WSPYLQWOHHDHAQ-OAHLLOKOSA-N 1 1 314.389 3.282 20 5 DGBDMO Cc1cc([N+](=O)[O-])ccc1C[N@H+]1CCC2(CCOCC2)[C@@H]1C ZINC000371865606 434761338 /nfs/dbraw/zinc/76/13/38/434761338.db2.gz WWCAIXACKWBIEC-AWEZNQCLSA-N 1 1 304.390 3.294 20 5 DGBDMO COCCCC[N@@H+](C)Cc1cc([N+](=O)[O-])ccc1C(F)(F)F ZINC000419384343 434783794 /nfs/dbraw/zinc/78/37/94/434783794.db2.gz KIZYVHYOZWYQCC-UHFFFAOYSA-N 1 1 320.311 3.472 20 5 DGBDMO COC(=O)c1cc(C[NH2+][C@H](C)c2cccc([N+](=O)[O-])c2)cs1 ZINC000411455965 434784871 /nfs/dbraw/zinc/78/48/71/434784871.db2.gz MBEHNEKEDFEYAF-SNVBAGLBSA-N 1 1 320.370 3.294 20 5 DGBDMO C[C@@H]1[C@@H](C)[C@H](C)C[N@H+]1Cc1nnc(-c2ccc([N+](=O)[O-])cc2)o1 ZINC000419394170 434786255 /nfs/dbraw/zinc/78/62/55/434786255.db2.gz ONKACMUQNJFEIM-GRYCIOLGSA-N 1 1 316.361 3.121 20 5 DGBDMO O=[N+]([O-])c1cnc2c(c1)C[N@@H+]([C@H]1C[C@H]1c1cccc(F)c1)CC2 ZINC000411482635 434789811 /nfs/dbraw/zinc/78/98/11/434789811.db2.gz TXRDQTDGLFMSMY-RDJZCZTQSA-N 1 1 313.332 3.043 20 5 DGBDMO C[C@@H]1CC[C@@H]([N@@H+](C)CCC(=O)Nc2ccc([N+](=O)[O-])cc2)C1 ZINC000411630471 434811255 /nfs/dbraw/zinc/81/12/55/434811255.db2.gz IKXBJOTWCQLXGC-IUODEOHRSA-N 1 1 305.378 3.044 20 5 DGBDMO C/C(=C/c1cccc([N+](=O)[O-])c1)C[N@H+]1CC[C@H](n2cccn2)C1 ZINC000361239744 434839078 /nfs/dbraw/zinc/83/90/78/434839078.db2.gz XQSMNHJVKXUTNE-QXSWTLKVSA-N 1 1 312.373 3.142 20 5 DGBDMO C[C@@H]1CC(C)(C)C[N@H+]1Cc1nnc(-c2ccc([N+](=O)[O-])cc2)o1 ZINC000412041510 434860304 /nfs/dbraw/zinc/86/03/04/434860304.db2.gz LNOHZBAZTGYWNV-LLVKDONJSA-N 1 1 316.361 3.265 20 5 DGBDMO CC[N@H+]1CC[C@H](N(C)c2cc(C)c([N+](=O)[O-])cc2F)C[C@@H]1C ZINC000461947802 434893399 /nfs/dbraw/zinc/89/33/99/434893399.db2.gz KXVRJYRMHXXZGY-STQMWFEESA-N 1 1 309.385 3.351 20 5 DGBDMO CC[C@@H]1C[N@H+]2CCC[C@@H]2CN1Cc1c(Cl)cccc1[N+](=O)[O-] ZINC000492002013 434898193 /nfs/dbraw/zinc/89/81/93/434898193.db2.gz RIFZHMALXOGCFC-CHWSQXEVSA-N 1 1 323.824 3.307 20 5 DGBDMO CC(C)(C)C[N@@H+](CCCO)Cc1ccc(Cl)cc1[N+](=O)[O-] ZINC000523854580 434963577 /nfs/dbraw/zinc/96/35/77/434963577.db2.gz MNMBWNVENPQYBD-UHFFFAOYSA-N 1 1 314.813 3.479 20 5 DGBDMO CC1(C)C[N@@H+](CC(=O)Nc2ccccc2[N+](=O)[O-])[C@H]2CCC[C@H]21 ZINC000555721866 434984710 /nfs/dbraw/zinc/98/47/10/434984710.db2.gz XOXBRHINEMFUHC-OCCSQVGLSA-N 1 1 317.389 3.044 20 5 DGBDMO CC(C)[C@H]1C[N@@H+](CCCOc2ccc([N+](=O)[O-])cc2)CCS1 ZINC000464777995 435000057 /nfs/dbraw/zinc/00/00/57/435000057.db2.gz WLQKTLZWRARRIU-MRXNPFEDSA-N 1 1 324.446 3.437 20 5 DGBDMO COC(C)(C)C[N@@H+](C)Cc1cc([N+](=O)[O-])ccc1OC(C)C ZINC000531575876 435103357 /nfs/dbraw/zinc/10/33/57/435103357.db2.gz NJJWSPGTDOEJKC-UHFFFAOYSA-N 1 1 310.394 3.239 20 5 DGBDMO CC(C)C[C@@H]1CC[N@H+]([C@@H](C)C(=O)Nc2cccc([N+](=O)[O-])c2)C1 ZINC000467173503 435111098 /nfs/dbraw/zinc/11/10/98/435111098.db2.gz CWJMNOLNQSRGSO-KBPBESRZSA-N 1 1 319.405 3.290 20 5 DGBDMO C/C(=C/c1cccc([N+](=O)[O-])c1)CNCC1([NH+](C)C)CCCC1 ZINC000468621888 435128225 /nfs/dbraw/zinc/12/82/25/435128225.db2.gz PHSCIVPTZYXKFJ-PTNGSMBKSA-N 1 1 317.433 3.462 20 5 DGBDMO Cc1ccc(C[N@@H+]2CCC[C@]2(CO)CC(C)C)cc1[N+](=O)[O-] ZINC000475383670 435194898 /nfs/dbraw/zinc/19/48/98/435194898.db2.gz WLQCFBWTBJRZCF-QGZVFWFLSA-N 1 1 306.406 3.276 20 5 DGBDMO CC[C@H](C)[C@H]1CCCC[N@H+]1CC(=O)Nc1ccccc1[N+](=O)[O-] ZINC000532968031 435202237 /nfs/dbraw/zinc/20/22/37/435202237.db2.gz OUNIBGHGEJCHGG-DZGCQCFKSA-N 1 1 319.405 3.434 20 5 DGBDMO CCC[N@@H+](CC)C[C@@H](C)NC/C=C\c1ccccc1[N+](=O)[O-] ZINC000583924238 435256784 /nfs/dbraw/zinc/25/67/84/435256784.db2.gz LTOAXVNEVSNIQY-WKTRQSJXSA-N 1 1 305.422 3.318 20 5 DGBDMO CCCN(CC)C[C@@H](C)[NH2+]C/C=C\c1ccccc1[N+](=O)[O-] ZINC000583924238 435256789 /nfs/dbraw/zinc/25/67/89/435256789.db2.gz LTOAXVNEVSNIQY-WKTRQSJXSA-N 1 1 305.422 3.318 20 5 DGBDMO CO[C@@H](C[N@@H+](C)CCc1ccccc1[N+](=O)[O-])c1ccccc1 ZINC000511124987 435316889 /nfs/dbraw/zinc/31/68/89/435316889.db2.gz NDNUYTXAGRXNGJ-SFHVURJKSA-N 1 1 314.385 3.457 20 5 DGBDMO COc1ccc(CC[N@@H+](C)CCc2ccccc2[N+](=O)[O-])cc1 ZINC000511136110 435317028 /nfs/dbraw/zinc/31/70/28/435317028.db2.gz JIWDZTGITZAPHJ-UHFFFAOYSA-N 1 1 314.385 3.320 20 5 DGBDMO O=[N+]([O-])c1cc(Cl)ccc1C[N@@H+]1CC[C@H](O)[C@H]2CCCC[C@H]21 ZINC000602997469 435333590 /nfs/dbraw/zinc/33/35/90/435333590.db2.gz KUQSHNKUPAJWMA-LZWOXQAQSA-N 1 1 324.808 3.374 20 5 DGBDMO C[C@@H]1C[N@@H+](C/C=C\c2ccccc2[N+](=O)[O-])CC2(CCC2)O1 ZINC000567906021 435369920 /nfs/dbraw/zinc/36/99/20/435369920.db2.gz ATJSIXUKKURRAQ-HJHHMULASA-N 1 1 302.374 3.251 20 5 DGBDMO CCc1noc(C)c1C[NH2+][C@H]1CCc2c1cccc2[N+](=O)[O-] ZINC000568651128 435459145 /nfs/dbraw/zinc/45/91/45/435459145.db2.gz JIKLACGCKVIJKA-HNNXBMFYSA-N 1 1 301.346 3.231 20 5 DGBDMO C[N@H+]1CCC[C@@H](C[NH2+][C@H]2CC(C)(C)c3ccc([N+](=O)[O-])cc32)C1 ZINC000516530394 435534900 /nfs/dbraw/zinc/53/49/00/435534900.db2.gz XBCXDWYUUSKCNC-GUYCJALGSA-N 1 1 317.433 3.249 20 5 DGBDMO CN1CCC[C@@H](C[NH2+][C@H]2CC(C)(C)c3ccc([N+](=O)[O-])cc32)C1 ZINC000516530394 435534906 /nfs/dbraw/zinc/53/49/06/435534906.db2.gz XBCXDWYUUSKCNC-GUYCJALGSA-N 1 1 317.433 3.249 20 5 DGBDMO C[N@@H+]1CCC[C@@H](CN[C@H]2CC(C)(C)c3ccc([N+](=O)[O-])cc32)C1 ZINC000516530394 435534912 /nfs/dbraw/zinc/53/49/12/435534912.db2.gz XBCXDWYUUSKCNC-GUYCJALGSA-N 1 1 317.433 3.249 20 5 DGBDMO C[N@H+]1CCC[C@@H](CN[C@H]2CC(C)(C)c3ccc([N+](=O)[O-])cc32)C1 ZINC000516530394 435534915 /nfs/dbraw/zinc/53/49/15/435534915.db2.gz XBCXDWYUUSKCNC-GUYCJALGSA-N 1 1 317.433 3.249 20 5 DGBDMO CC[N@@H+]1CCCC[C@@H]1CN[C@@H](C)c1cccc([N+](=O)[O-])c1C ZINC000482866027 435486914 /nfs/dbraw/zinc/48/69/14/435486914.db2.gz DTTBFNPZJRTJEE-LSDHHAIUSA-N 1 1 305.422 3.428 20 5 DGBDMO CC[N@H+]1CCCC[C@@H]1CN[C@@H](C)c1cccc([N+](=O)[O-])c1C ZINC000482866027 435486918 /nfs/dbraw/zinc/48/69/18/435486918.db2.gz DTTBFNPZJRTJEE-LSDHHAIUSA-N 1 1 305.422 3.428 20 5 DGBDMO O=[N+]([O-])c1ccc(CC[N@H+](CCO)CC2CCCCC2)cc1 ZINC000485850882 435580529 /nfs/dbraw/zinc/58/05/29/435580529.db2.gz GFFCUDSHZYMGLU-UHFFFAOYSA-N 1 1 306.406 3.012 20 5 DGBDMO CCOc1cc(C[N@H+](C)Cc2cccc(O)c2)ccc1[N+](=O)[O-] ZINC000570023597 435582137 /nfs/dbraw/zinc/58/21/37/435582137.db2.gz AHRXQBCMALPTKL-UHFFFAOYSA-N 1 1 316.357 3.331 20 5 DGBDMO CCOc1cc(C[N@@H+](C)Cc2cccc(O)c2)ccc1[N+](=O)[O-] ZINC000570023597 435582141 /nfs/dbraw/zinc/58/21/41/435582141.db2.gz AHRXQBCMALPTKL-UHFFFAOYSA-N 1 1 316.357 3.331 20 5 DGBDMO C[N@H+]1CCN(Cc2ccc([N+](=O)[O-])cc2F)C2(CCCCC2)C1 ZINC000490405038 435655448 /nfs/dbraw/zinc/65/54/48/435655448.db2.gz XWMNCXXUTZVYMO-UHFFFAOYSA-N 1 1 321.396 3.184 20 5 DGBDMO Cc1cccc(N2CC[N@H+](C3CCC3)C[C@@H](C)C2)c1[N+](=O)[O-] ZINC000549198641 435748600 /nfs/dbraw/zinc/74/86/00/435748600.db2.gz RIBBNMGFKIYUQC-CYBMUJFWSA-N 1 1 303.406 3.214 20 5 DGBDMO Cc1c(C[N@H+](C)CCN(C)c2ccccc2)cccc1[N+](=O)[O-] ZINC000520783564 435771969 /nfs/dbraw/zinc/77/19/69/435771969.db2.gz GSAXBTVCWAWYEZ-UHFFFAOYSA-N 1 1 313.401 3.471 20 5 DGBDMO CC[C@H]1C[N@@H+](C)CCN1Cc1ccc(C(C)C)c([N+](=O)[O-])c1 ZINC000552132074 435883548 /nfs/dbraw/zinc/88/35/48/435883548.db2.gz HWCFXQGUWQKQEV-HNNXBMFYSA-N 1 1 305.422 3.244 20 5 DGBDMO CCC[C@H]1CCCC[N@H+]1CC(=O)Nc1c(C)cccc1[N+](=O)[O-] ZINC000541662599 314031703 /nfs/dbraw/zinc/03/17/03/314031703.db2.gz HTGOXEDKKVGWAJ-AWEZNQCLSA-N 1 1 319.405 3.496 20 5 DGBDMO C[C@@H]1COc2ccccc2C[N@H+]1CCc1ccc([N+](=O)[O-])cc1 ZINC000542947991 314107749 /nfs/dbraw/zinc/10/77/49/314107749.db2.gz NPLDNUDYIIVHGT-CQSZACIVSA-N 1 1 312.369 3.420 20 5 DGBDMO Cc1cccc([N+](=O)[O-])c1NC(=O)C[N@H+]1CC[C@H](C(C)(C)C)C1 ZINC000543248058 314123968 /nfs/dbraw/zinc/12/39/68/314123968.db2.gz OFTAOEUVRVZOEA-ZDUSSCGKSA-N 1 1 319.405 3.210 20 5 DGBDMO CC(C)(C)C[N@@H+](CCCO)Cc1ccc([N+](=O)[O-])cc1Cl ZINC000543856839 314161724 /nfs/dbraw/zinc/16/17/24/314161724.db2.gz ZCOIWPRPPZTHBL-UHFFFAOYSA-N 1 1 314.813 3.479 20 5 DGBDMO C[C@H]1C[C@@H](Nc2ccc([N+](=O)[O-])cc2OC(F)F)CC[N@H+]1C ZINC000545474546 314253784 /nfs/dbraw/zinc/25/37/84/314253784.db2.gz LWDBONUVOMQSCS-UWVGGRQHSA-N 1 1 315.320 3.091 20 5 DGBDMO O=[N+]([O-])c1ccc2ccnc(NC[C@@H]3CC[N@H+](C4CC4)C3)c2c1 ZINC000562721681 315047889 /nfs/dbraw/zinc/04/78/89/315047889.db2.gz RGKOSTFBOLCVDU-LBPRGKRZSA-N 1 1 312.373 3.039 20 5 DGBDMO CCCC[N@@H+](C)C[C@@H](C)N[C@@H]1CCc2c1cccc2[N+](=O)[O-] ZINC000566019445 315305313 /nfs/dbraw/zinc/30/53/13/315305313.db2.gz ILNHPVXAFCURRB-CZUORRHYSA-N 1 1 305.422 3.292 20 5 DGBDMO CCCCN(C)C[C@@H](C)[NH2+][C@@H]1CCc2c1cccc2[N+](=O)[O-] ZINC000566019445 315305314 /nfs/dbraw/zinc/30/53/14/315305314.db2.gz ILNHPVXAFCURRB-CZUORRHYSA-N 1 1 305.422 3.292 20 5 DGBDMO C[C@@H]1Cc2c([nH+]cn2Cc2ccc(F)cc2[N+](=O)[O-])C[C@@H]1C ZINC000570176310 315631062 /nfs/dbraw/zinc/63/10/62/315631062.db2.gz LVOYMSVSMHJDES-WDEREUQCSA-N 1 1 303.337 3.350 20 5 DGBDMO CCC(CC)[N@@H+](CC)CC(=O)Nc1c(C)cccc1[N+](=O)[O-] ZINC000577914534 316283592 /nfs/dbraw/zinc/28/35/92/316283592.db2.gz XWCIDCALJOPYAN-UHFFFAOYSA-N 1 1 307.394 3.352 20 5 DGBDMO CC[N@@H+](CCN[C@@H]1CCCc2ccc([N+](=O)[O-])cc21)C(C)C ZINC000581111433 324075150 /nfs/dbraw/zinc/07/51/50/324075150.db2.gz VXKDJALNBBGVNX-QGZVFWFLSA-N 1 1 305.422 3.292 20 5 DGBDMO CCN(CC[NH2+][C@@H]1CCCc2ccc([N+](=O)[O-])cc21)C(C)C ZINC000581111433 324075151 /nfs/dbraw/zinc/07/51/51/324075151.db2.gz VXKDJALNBBGVNX-QGZVFWFLSA-N 1 1 305.422 3.292 20 5 DGBDMO C[C@H](CN[C@@H]1CCc2c1cccc2[N+](=O)[O-])[N@@H+]1CCCC[C@H]1C ZINC000584479702 337348564 /nfs/dbraw/zinc/34/85/64/337348564.db2.gz CYTRLIJYCOBHGU-CKEIUWERSA-N 1 1 317.433 3.435 20 5 DGBDMO C[C@H](CN[C@@H]1CCc2c1cccc2[N+](=O)[O-])[N@H+]1CCCC[C@H]1C ZINC000584479702 337348565 /nfs/dbraw/zinc/34/85/65/337348565.db2.gz CYTRLIJYCOBHGU-CKEIUWERSA-N 1 1 317.433 3.435 20 5 DGBDMO C[C@H]1CC[C@H]([N@@H+](C)Cc2nc(-c3cccc([N+](=O)[O-])c3)no2)C1 ZINC000429568701 533749773 /nfs/dbraw/zinc/74/97/73/533749773.db2.gz OWKPTSUTFMEHRX-AAEUAGOBSA-N 1 1 316.361 3.265 20 5 DGBDMO C[C@@H]1C[C@H](C)CC[N@@H+](CCC(=O)Nc2ccc([N+](=O)[O-])cc2)C1 ZINC000443657114 533782669 /nfs/dbraw/zinc/78/26/69/533782669.db2.gz QOTMQMTUUUNJGM-ZIAGYGMSSA-N 1 1 319.405 3.291 20 5 DGBDMO Cc1ccc([N+](=O)[O-])c(NCCC[N@H+](C)C2CCCCC2)n1 ZINC000316799099 534328069 /nfs/dbraw/zinc/32/80/69/534328069.db2.gz IRGUVOKZTHEHSM-UHFFFAOYSA-N 1 1 306.410 3.365 20 5 DGBDMO Cc1ccc([N+](=O)[O-])cc1NC(=O)C[N@@H+]1CC[C@H](C)C[C@H](C)C1 ZINC000443637838 534339191 /nfs/dbraw/zinc/33/91/91/534339191.db2.gz CEFSXULYWALEBC-STQMWFEESA-N 1 1 319.405 3.210 20 5 DGBDMO CC(C)[C@H]1CCC[N@H+]([C@H](C)C(=O)Nc2ccccc2[N+](=O)[O-])C1 ZINC000444748199 527779523 /nfs/dbraw/zinc/77/95/23/527779523.db2.gz HKFAUZBUZNHMLU-KGLIPLIRSA-N 1 1 319.405 3.290 20 5 DGBDMO CC[N@@H+](C)CCNC(=O)c1cc2ccccc2c2cccnc12 ZINC000171983023 527798254 /nfs/dbraw/zinc/79/82/54/527798254.db2.gz UJIQOXISJNOVNZ-UHFFFAOYSA-N 1 1 307.397 3.070 20 5 DGBDMO CCC[C@@]1(COC)CCC[N@H+]1Cc1ccc([N+](=O)[O-])cc1OC ZINC000430236831 527959258 /nfs/dbraw/zinc/95/92/58/527959258.db2.gz BYLDHZOAKIILOR-KRWDZBQOSA-N 1 1 322.405 3.385 20 5 DGBDMO CCC[N@@H+](CC)CCNc1ccc([N+](=O)[O-])c2cccnc12 ZINC000319020626 527980702 /nfs/dbraw/zinc/98/07/02/527980702.db2.gz WGKCORJAVKZHJC-UHFFFAOYSA-N 1 1 302.378 3.287 20 5 DGBDMO CC(C)[C@@H]1CCC[N@H+]([C@@H](C)C(=O)Nc2cccc([N+](=O)[O-])c2)C1 ZINC000444754624 528670424 /nfs/dbraw/zinc/67/04/24/528670424.db2.gz UTUBBAFEAMVVDP-UONOGXRCSA-N 1 1 319.405 3.290 20 5 DGBDMO CCOc1cccc(NCCCC[N@@H+](C)C2CC2)c1[N+](=O)[O-] ZINC000413351431 528674009 /nfs/dbraw/zinc/67/40/09/528674009.db2.gz ZQEILXUQJFBSNY-UHFFFAOYSA-N 1 1 307.394 3.280 20 5 DGBDMO CCOc1cccc(NC[C@H]2CCCC[N@H+]2C2CC2)c1[N+](=O)[O-] ZINC000433809733 528674533 /nfs/dbraw/zinc/67/45/33/528674533.db2.gz AZXYATXBFZJHAQ-CQSZACIVSA-N 1 1 319.405 3.422 20 5 DGBDMO CC(C)[N@@H+](C)C[C@H](C)Nc1ccc2cc([N+](=O)[O-])ccc2n1 ZINC000320009751 528832898 /nfs/dbraw/zinc/83/28/98/528832898.db2.gz VGDNXSPMLUETTL-LBPRGKRZSA-N 1 1 302.378 3.284 20 5 DGBDMO CC(C)[N@@H+](C)C[C@H](C)Nc1nccc2ccc([N+](=O)[O-])cc21 ZINC000413292365 528833246 /nfs/dbraw/zinc/83/32/46/528833246.db2.gz ANOOJSUKSUIKNO-LBPRGKRZSA-N 1 1 302.378 3.284 20 5 DGBDMO CC(C)[N@@H+](CCn1cc([N+](=O)[O-])cn1)[C@H](C)c1ccccc1 ZINC000428839288 528916212 /nfs/dbraw/zinc/91/62/12/528916212.db2.gz LEXBACPNKNCRMP-CQSZACIVSA-N 1 1 302.378 3.263 20 5 DGBDMO CC(C)[N@H+]1C[C@@H](C)[C@@H](Nc2ccc([N+](=O)[O-])c3ncccc23)C1 ZINC000413184726 529090001 /nfs/dbraw/zinc/09/00/01/529090001.db2.gz KHWLQANZCKARLA-DOMZBBRYSA-N 1 1 314.389 3.284 20 5 DGBDMO CC1(C)C[NH+](C/C=C\c2ccccc2[N+](=O)[O-])CC(C)(C)O1 ZINC000443857850 529112413 /nfs/dbraw/zinc/11/24/13/529112413.db2.gz UUILIHMUWXNZBL-CLFYSBASSA-N 1 1 304.390 3.497 20 5 DGBDMO CC[C@@H]1CCCC[N@H+]1CCOc1ccc(OC)cc1[N+](=O)[O-] ZINC000441184646 529274131 /nfs/dbraw/zinc/27/41/31/529274131.db2.gz PSXHQVLDMCZYOR-CYBMUJFWSA-N 1 1 308.378 3.247 20 5 DGBDMO CCC[C@@H]1C[N@H+](C/C(C)=C/c2cccc([N+](=O)[O-])c2)CCO1 ZINC000470170113 535434434 /nfs/dbraw/zinc/43/44/34/535434434.db2.gz OUMNURWDKVYFQK-IDKBZEPQSA-N 1 1 304.390 3.499 20 5 DGBDMO CCC[C@@H]1C[N@@H+](C/C(C)=C/c2cccc([N+](=O)[O-])c2)CCO1 ZINC000470170113 535434438 /nfs/dbraw/zinc/43/44/38/535434438.db2.gz OUMNURWDKVYFQK-IDKBZEPQSA-N 1 1 304.390 3.499 20 5 DGBDMO CC[C@]1(C)CC[N@@H+](CCOc2ccc(OC)cc2[N+](=O)[O-])C1 ZINC000468122517 535908201 /nfs/dbraw/zinc/90/82/01/535908201.db2.gz WOHZFYLQSXCTLM-MRXNPFEDSA-N 1 1 308.378 3.104 20 5 DGBDMO CC[C@@]1(C)C[N@H+](C/C(C)=C/c2cccc([N+](=O)[O-])c2)CCO1 ZINC000470213032 536055959 /nfs/dbraw/zinc/05/59/59/536055959.db2.gz ZBXYCLXNGYWUMB-SHRNQRGKSA-N 1 1 304.390 3.499 20 5 DGBDMO CC[C@@]1(C)C[N@@H+](C/C(C)=C/c2cccc([N+](=O)[O-])c2)CCO1 ZINC000470213032 536055965 /nfs/dbraw/zinc/05/59/65/536055965.db2.gz ZBXYCLXNGYWUMB-SHRNQRGKSA-N 1 1 304.390 3.499 20 5 DGBDMO C[C@@H](C(=O)OCc1cc(F)ccc1[N+](=O)[O-])[N@@H+]1[C@H](C)CC[C@@H]1C ZINC000741016663 574523786 /nfs/dbraw/zinc/52/37/86/574523786.db2.gz IZHLZYVULRZQHW-TUAOUCFPSA-N 1 1 324.352 3.038 20 5 DGBDMO CC[C@@H](C)C[N@@H+](C)Cn1cc(-c2ccc([N+](=O)[O-])cc2)cn1 ZINC000732182433 574567435 /nfs/dbraw/zinc/56/74/35/574567435.db2.gz BRAUWTSVYJOARW-CYBMUJFWSA-N 1 1 302.378 3.394 20 5 DGBDMO CC1(C)[C@@H]2C[N@H+](Cn3cc(-c4ccc([N+](=O)[O-])cc4)cn3)C[C@@H]21 ZINC000742165366 574983501 /nfs/dbraw/zinc/98/35/01/574983501.db2.gz SZVJYNYYZAVVLQ-IYBDPMFKSA-N 1 1 312.373 3.004 20 5 DGBDMO Cc1[nH+]ccn1CCCNc1nc2ccc([N+](=O)[O-])cc2s1 ZINC000742410846 574997599 /nfs/dbraw/zinc/99/75/99/574997599.db2.gz CLSRNNLWXBSNIV-UHFFFAOYSA-N 1 1 317.374 3.212 20 5 DGBDMO O=c1[nH]c2ccccc2cc1C[NH2+]Cc1ccccc1[N+](=O)[O-] ZINC000238166211 575280121 /nfs/dbraw/zinc/28/01/21/575280121.db2.gz UTHQIWHSNUFGCM-UHFFFAOYSA-N 1 1 309.325 3.138 20 5 DGBDMO Cc1cccc([N+](=O)[O-])c1NC(=O)C[N@@H+]1CCC2(CCCC2)C1 ZINC000744420135 575340954 /nfs/dbraw/zinc/34/09/54/575340954.db2.gz FOGIKQHHWLEIPB-UHFFFAOYSA-N 1 1 317.389 3.108 20 5 DGBDMO Cc1cccc([N+](=O)[O-])c1NC(=O)C[N@H+]1CCC2(CCCC2)C1 ZINC000744420135 575340957 /nfs/dbraw/zinc/34/09/57/575340957.db2.gz FOGIKQHHWLEIPB-UHFFFAOYSA-N 1 1 317.389 3.108 20 5 DGBDMO CC[N@@H+]1CCCC[C@H]1C(=O)O[C@@H](C)c1cccc([N+](=O)[O-])c1 ZINC000745083459 575374771 /nfs/dbraw/zinc/37/47/71/575374771.db2.gz MJZALOONDGMFQQ-WFASDCNBSA-N 1 1 306.362 3.073 20 5 DGBDMO CC[N@H+]1CCCC[C@H]1C(=O)O[C@@H](C)c1cccc([N+](=O)[O-])c1 ZINC000745083459 575374772 /nfs/dbraw/zinc/37/47/72/575374772.db2.gz MJZALOONDGMFQQ-WFASDCNBSA-N 1 1 306.362 3.073 20 5 DGBDMO CC[N@@H+]1CCCC[C@H]1C(=O)O[C@H](C)c1cccc([N+](=O)[O-])c1 ZINC000745083450 575374848 /nfs/dbraw/zinc/37/48/48/575374848.db2.gz MJZALOONDGMFQQ-DOMZBBRYSA-N 1 1 306.362 3.073 20 5 DGBDMO CC[N@H+]1CCCC[C@H]1C(=O)O[C@H](C)c1cccc([N+](=O)[O-])c1 ZINC000745083450 575374849 /nfs/dbraw/zinc/37/48/49/575374849.db2.gz MJZALOONDGMFQQ-DOMZBBRYSA-N 1 1 306.362 3.073 20 5 DGBDMO Cc1cc(NCC[NH+]2CCSCC2)c(Cl)cc1[N+](=O)[O-] ZINC000747220419 575506586 /nfs/dbraw/zinc/50/65/86/575506586.db2.gz LIGDGDPNSCRHSE-UHFFFAOYSA-N 1 1 315.826 3.017 20 5 DGBDMO O=[N+]([O-])c1cc(C[N@H+]2CCC[C@@H]([C@@H]3CCOC3)C2)ccc1Cl ZINC000749556663 575664456 /nfs/dbraw/zinc/66/44/56/575664456.db2.gz CFTZWGYKYMVEOH-ZIAGYGMSSA-N 1 1 324.808 3.497 20 5 DGBDMO Cc1nn(C[N@@H+](C)CC2CCCCC2)c2ncc([N+](=O)[O-])cc12 ZINC000749937714 575689938 /nfs/dbraw/zinc/68/99/38/575689938.db2.gz OATOSEBYBDBECC-UHFFFAOYSA-N 1 1 317.393 3.118 20 5 DGBDMO O=[N+]([O-])c1ccc(Cl)cc1C[N@H+]1CC[C@H]([C@@H]2CCOC2)C1 ZINC000750252418 575714402 /nfs/dbraw/zinc/71/44/02/575714402.db2.gz KGRJHUDSAZXKKK-NWDGAFQWSA-N 1 1 310.781 3.107 20 5 DGBDMO O=[N+]([O-])c1ccc(F)cc1C[N@@H+]1CCc2ccc(O)cc2CC1 ZINC000726866431 576046259 /nfs/dbraw/zinc/04/62/59/576046259.db2.gz KUXXXCFUPZPQBP-UHFFFAOYSA-N 1 1 316.332 3.040 20 5 DGBDMO C[N@@H+](CC(=O)Nc1ccc(Cl)c([N+](=O)[O-])c1)CC(C)(C)C ZINC000726972111 576089730 /nfs/dbraw/zinc/08/97/30/576089730.db2.gz XQWDBNLUAPPXOX-UHFFFAOYSA-N 1 1 313.785 3.165 20 5 DGBDMO CC[N@H+]1CC[C@H](N(C)c2c(F)cc([N+](=O)[O-])cc2F)C[C@@H]1C ZINC000749319707 576093292 /nfs/dbraw/zinc/09/32/92/576093292.db2.gz AIGQXUNQQQBFCM-QWRGUYRKSA-N 1 1 313.348 3.182 20 5 DGBDMO O=[N+]([O-])c1ccc(C[NH+]2CCC(c3ccon3)CC2)cc1F ZINC000852673158 620639401 /nfs/dbraw/zinc/63/94/01/620639401.db2.gz MFVQFFOMCRROTB-UHFFFAOYSA-N 1 1 305.309 3.102 20 5 DGBDMO O=[N+]([O-])c1ccc([C@H](O)C[N@H+]2CCC[C@@H](C3CCC3)C2)cc1 ZINC000852674150 620639937 /nfs/dbraw/zinc/63/99/37/620639937.db2.gz XWXQDPHORJFCIW-NVXWUHKLSA-N 1 1 304.390 3.140 20 5 DGBDMO O=[N+]([O-])c1cccc([C@@H](O)C[N@H+]2CC3CC2(c2ccccc2)C3)c1 ZINC000852761206 620646524 /nfs/dbraw/zinc/64/65/24/620646524.db2.gz IJEANZWPYNTFRP-WHDUELSGSA-N 1 1 324.380 3.249 20 5 DGBDMO Cc1nn(C[N@@H+]2CCCC3(CCCCC3)C2)c(C)c1[N+](=O)[O-] ZINC000111173598 620679363 /nfs/dbraw/zinc/67/93/63/620679363.db2.gz VTLYQZMFGKALFQ-UHFFFAOYSA-N 1 1 306.410 3.412 20 5 DGBDMO Cc1nn(C[N@H+]2CCCC3(CCCCC3)C2)c(C)c1[N+](=O)[O-] ZINC000111173598 620679365 /nfs/dbraw/zinc/67/93/65/620679365.db2.gz VTLYQZMFGKALFQ-UHFFFAOYSA-N 1 1 306.410 3.412 20 5 DGBDMO C[C@H]1CCC[N@@H+](CCNc2nc3ccc([N+](=O)[O-])cc3s2)C1 ZINC000111193908 620680642 /nfs/dbraw/zinc/68/06/42/620680642.db2.gz VHQZTMHPWOEYGG-NSHDSACASA-N 1 1 320.418 3.348 20 5 DGBDMO Cn1cc[nH+]c1[C@H]1CCN(c2ccc(C(F)F)cc2[N+](=O)[O-])C1 ZINC000853458622 620697080 /nfs/dbraw/zinc/69/70/80/620697080.db2.gz ZNXDEFNTVRIJIZ-NSHDSACASA-N 1 1 322.315 3.260 20 5 DGBDMO CCC(=O)c1ccc(N2CCC[N@H+](CC)C[C@H]2C)c([N+](=O)[O-])c1 ZINC000853684646 620725052 /nfs/dbraw/zinc/72/50/52/620725052.db2.gz GPRNILSGCDYYPS-CYBMUJFWSA-N 1 1 319.405 3.108 20 5 DGBDMO CC(=O)c1cc([N+](=O)[O-])ccc1NC[C@H]1CC[N@H+]1C(C)(C)C ZINC000853748016 620732699 /nfs/dbraw/zinc/73/26/99/620732699.db2.gz GISPYHRHYGNAEP-CYBMUJFWSA-N 1 1 305.378 3.082 20 5 DGBDMO COc1ccc(C[N@H+](Cc2ccc([N+](=O)[O-])cc2)C2CC2)o1 ZINC000891624167 617855119 /nfs/dbraw/zinc/85/51/19/617855119.db2.gz UGKVWHUJLWPGBG-UHFFFAOYSA-N 1 1 302.330 3.361 20 5 DGBDMO COc1ccc(C[N@@H+](Cc2ccc([N+](=O)[O-])cc2)C2CC2)o1 ZINC000891624167 617855125 /nfs/dbraw/zinc/85/51/25/617855125.db2.gz UGKVWHUJLWPGBG-UHFFFAOYSA-N 1 1 302.330 3.361 20 5 DGBDMO Cc1nn(C)c(C[NH2+][C@@H](C)c2ccc([N+](=O)[O-])cc2)c1Cl ZINC000894656862 618413735 /nfs/dbraw/zinc/41/37/35/618413735.db2.gz ILBYJZDUWRAMIS-VIFPVBQESA-N 1 1 308.769 3.141 20 5 DGBDMO Cc1ncoc1C[N@H+]1CCC[C@@H](c2ccc([N+](=O)[O-])cc2)C1 ZINC000894906225 618496778 /nfs/dbraw/zinc/49/67/78/618496778.db2.gz ZZQMZWHPORMFRS-CQSZACIVSA-N 1 1 301.346 3.271 20 5 DGBDMO CCC[C@@H]([NH2+]Cc1cc(N)ccn1)c1cccc([N+](=O)[O-])c1 ZINC000925772236 618614055 /nfs/dbraw/zinc/61/40/55/618614055.db2.gz RBJWIUJZXDXILR-MRXNPFEDSA-N 1 1 300.362 3.203 20 5 DGBDMO Cc1ccc([C@@H](C)NC[C@]23CCC[C@H]2[NH2+]CC3)cc1[N+](=O)[O-] ZINC000925840735 618642888 /nfs/dbraw/zinc/64/28/88/618642888.db2.gz KOHMXVLSNDQVQX-KBRIMQKVSA-N 1 1 303.406 3.086 20 5 DGBDMO COc1c(O)ccc(C[N@@H+](CC2CC2)C2CCC2)c1[N+](=O)[O-] ZINC000894188185 618726232 /nfs/dbraw/zinc/72/62/32/618726232.db2.gz LMLIVMKBHLQSHE-UHFFFAOYSA-N 1 1 306.362 3.074 20 5 DGBDMO O=[N+]([O-])c1cccc(Br)c1C[N@@H+]1CC[C@@H](CF)C1 ZINC000895572786 618799837 /nfs/dbraw/zinc/79/98/37/618799837.db2.gz GOGHBPBXBGXNKU-VIFPVBQESA-N 1 1 317.158 3.149 20 5 DGBDMO O=[N+]([O-])c1cccc(Br)c1C[N@H+]1CC[C@@H](CF)C1 ZINC000895572786 618799838 /nfs/dbraw/zinc/79/98/38/618799838.db2.gz GOGHBPBXBGXNKU-VIFPVBQESA-N 1 1 317.158 3.149 20 5 DGBDMO O=[N+]([O-])c1ccc(C[NH2+]Cc2nc3c(s2)CCC3)cc1Cl ZINC000896286919 618896905 /nfs/dbraw/zinc/89/69/05/618896905.db2.gz CQYQYXBHDXFQJZ-UHFFFAOYSA-N 1 1 323.805 3.483 20 5 DGBDMO O=C(CC[N@H+]1CC[C@H]1C1CCCC1)Nc1ccccc1[N+](=O)[O-] ZINC000899912648 619383257 /nfs/dbraw/zinc/38/32/57/619383257.db2.gz MWNGPHNQCDMEFE-HNNXBMFYSA-N 1 1 317.389 3.188 20 5 DGBDMO Cc1cc(C)c([N+](=O)[O-])cc1NC(=O)[C@@H]1CC[N@@H+]1C(C)(C)C ZINC000899937852 619384442 /nfs/dbraw/zinc/38/44/42/619384442.db2.gz RQXRPSCYHXSJAO-ZDUSSCGKSA-N 1 1 305.378 3.023 20 5 DGBDMO Cc1cc(C)c([N+](=O)[O-])cc1NC(=O)[C@@H]1CC[N@H+]1C(C)(C)C ZINC000899937852 619384443 /nfs/dbraw/zinc/38/44/43/619384443.db2.gz RQXRPSCYHXSJAO-ZDUSSCGKSA-N 1 1 305.378 3.023 20 5 DGBDMO Cc1c([C@H](C)[NH2+][C@H](c2nncn2C)C(C)C)cccc1[N+](=O)[O-] ZINC000903060540 619708273 /nfs/dbraw/zinc/70/82/73/619708273.db2.gz BBVSYUXFXHZIHA-WFASDCNBSA-N 1 1 317.393 3.080 20 5 DGBDMO C[C@@H](NC1C[C@H]2CC[C@@H](C1)[N@@H+]2C1CC1)c1ccccc1[N+](=O)[O-] ZINC000903131634 619723311 /nfs/dbraw/zinc/72/33/11/619723311.db2.gz JMNJLDWBQUDPTI-WPXLMEDKSA-N 1 1 315.417 3.403 20 5 DGBDMO COc1cc([C@H](C)N[C@H]2CC[N@H+](C(C)(C)C)C2)cc([N+](=O)[O-])c1 ZINC000903199624 619735125 /nfs/dbraw/zinc/73/51/25/619735125.db2.gz KWYPVUMHBLGKFR-JSGCOSHPSA-N 1 1 321.421 3.127 20 5 DGBDMO COc1cc([C@H](C)[NH2+][C@H]2CCN(C(C)(C)C)C2)cc([N+](=O)[O-])c1 ZINC000903199624 619735126 /nfs/dbraw/zinc/73/51/26/619735126.db2.gz KWYPVUMHBLGKFR-JSGCOSHPSA-N 1 1 321.421 3.127 20 5 DGBDMO CC(C)[N@@H+]1CCC[C@H]1C(=O)O[C@H](C)c1ccccc1[N+](=O)[O-] ZINC000906118292 620059533 /nfs/dbraw/zinc/05/95/33/620059533.db2.gz FOFSQZPQDVVLIW-DOMZBBRYSA-N 1 1 306.362 3.072 20 5 DGBDMO CC(C)[N@H+]1CCC[C@H]1C(=O)O[C@H](C)c1ccccc1[N+](=O)[O-] ZINC000906118292 620059535 /nfs/dbraw/zinc/05/95/35/620059535.db2.gz FOFSQZPQDVVLIW-DOMZBBRYSA-N 1 1 306.362 3.072 20 5 DGBDMO CC(=O)c1ccc(OCC[C@@H]2CCCC[N@@H+]2C)c([N+](=O)[O-])c1 ZINC000906504075 620103437 /nfs/dbraw/zinc/10/34/37/620103437.db2.gz UYDXOJMDKTXDDK-AWEZNQCLSA-N 1 1 306.362 3.051 20 5 DGBDMO Cn1cc(C[NH2+]Cc2ccccc2[N+](=O)[O-])c(C2CCCC2)n1 ZINC000921546536 620906228 /nfs/dbraw/zinc/90/62/28/620906228.db2.gz FEECGQUCMMYLDJ-UHFFFAOYSA-N 1 1 314.389 3.276 20 5 DGBDMO O=[N+]([O-])c1cc(Cl)ccc1CC[NH2+][C@@H]1CCCc2c[nH]nc21 ZINC000857865761 621125581 /nfs/dbraw/zinc/12/55/81/621125581.db2.gz PMSZSLFXVKQMED-CYBMUJFWSA-N 1 1 320.780 3.181 20 5 DGBDMO Cc1ccc([N+](=O)[O-])c(NC[C@H]2CC[N@H+]2C2CCCCC2)n1 ZINC000858683658 621214330 /nfs/dbraw/zinc/21/43/30/621214330.db2.gz VUXFULCSVAOHMU-CQSZACIVSA-N 1 1 304.394 3.117 20 5 DGBDMO C[C@H]1CC[C@H](C)[NH+]1CC(=O)Nc1cc(Cl)ccc1[N+](=O)[O-] ZINC000839506060 621382570 /nfs/dbraw/zinc/38/25/70/621382570.db2.gz SREVHNYYKHCATM-UWVGGRQHSA-N 1 1 311.769 3.060 20 5 DGBDMO O=[N+]([O-])c1ccc(CNC[C@@H]2CC[N@@H+]2C2CCCC2)cc1Cl ZINC000862522751 621596399 /nfs/dbraw/zinc/59/63/99/621596399.db2.gz FVUONAYNEQIUPV-AWEZNQCLSA-N 1 1 323.824 3.355 20 5 DGBDMO O=[N+]([O-])c1ccc(CNC[C@@H]2CC[N@H+]2C2CCCC2)cc1Cl ZINC000862522751 621596401 /nfs/dbraw/zinc/59/64/01/621596401.db2.gz FVUONAYNEQIUPV-AWEZNQCLSA-N 1 1 323.824 3.355 20 5 DGBDMO O=[N+]([O-])c1ccc(Cl)c(C[NH2+]Cc2ccc3[nH]cnc3c2)c1 ZINC000756900775 621671635 /nfs/dbraw/zinc/67/16/35/621671635.db2.gz YZWMVYBXAKDOOA-UHFFFAOYSA-N 1 1 316.748 3.414 20 5 DGBDMO O=[N+]([O-])c1ccc(Cl)c(C[NH2+]Cc2ccc3nc[nH]c3c2)c1 ZINC000756900775 621671638 /nfs/dbraw/zinc/67/16/38/621671638.db2.gz YZWMVYBXAKDOOA-UHFFFAOYSA-N 1 1 316.748 3.414 20 5 DGBDMO CCc1nn(C)c(Cl)c1C[NH2+]Cc1ccc(C)c([N+](=O)[O-])c1 ZINC000865788079 621995854 /nfs/dbraw/zinc/99/58/54/621995854.db2.gz YFTZUGAHYSENHC-UHFFFAOYSA-N 1 1 322.796 3.142 20 5 DGBDMO Cc1nn(C[N@@H+]2CC[C@H](C(C)C)C2)c2cc([N+](=O)[O-])ccc12 ZINC000761291583 621999713 /nfs/dbraw/zinc/99/97/13/621999713.db2.gz IQRQRNUVBHAEIE-ZDUSSCGKSA-N 1 1 302.378 3.188 20 5 DGBDMO C[C@@H]1CCCC[N@@H+]1CCNCc1ccc([N+](=O)[O-])c(Cl)c1 ZINC000761522373 622014283 /nfs/dbraw/zinc/01/42/83/622014283.db2.gz OSQIKVLLTUGBHE-GFCCVEGCSA-N 1 1 311.813 3.212 20 5 DGBDMO C[C@@H]1CCCC[N@H+]1CCNCc1ccc([N+](=O)[O-])c(Cl)c1 ZINC000761522373 622014287 /nfs/dbraw/zinc/01/42/87/622014287.db2.gz OSQIKVLLTUGBHE-GFCCVEGCSA-N 1 1 311.813 3.212 20 5 DGBDMO CC(=O)c1c(NC[C@@H](c2ccco2)[NH+](C)C)cccc1[N+](=O)[O-] ZINC000763207549 622129979 /nfs/dbraw/zinc/12/99/79/622129979.db2.gz WYVKZRZWJZZPGB-AWEZNQCLSA-N 1 1 317.345 3.105 20 5 DGBDMO O=[N+]([O-])c1ccc(-c2cnn(C[N@H+]3CC[C@H](C4CC4)C3)c2)cc1 ZINC000763331814 622138648 /nfs/dbraw/zinc/13/86/48/622138648.db2.gz JAYPEFHGPAEQJP-HNNXBMFYSA-N 1 1 312.373 3.148 20 5 DGBDMO Cc1c([C@H](C)[NH2+]Cc2nn(C)cc2C(F)F)cccc1[N+](=O)[O-] ZINC000866568199 622140379 /nfs/dbraw/zinc/14/03/79/622140379.db2.gz WTURMQYFDQELSL-JTQLQIEISA-N 1 1 324.331 3.425 20 5 DGBDMO Cc1nn(C[N@H+]2CCS[C@@H](C)[C@@H]2C)c2cc([N+](=O)[O-])ccc12 ZINC000121199862 622158577 /nfs/dbraw/zinc/15/85/77/622158577.db2.gz QQBYCGXRJYUVTA-RYUDHWBXSA-N 1 1 320.418 3.036 20 5 DGBDMO Cc1nn(C[N@@H+]2CCS[C@@H](C)[C@@H]2C)c2cc([N+](=O)[O-])ccc12 ZINC000121199862 622158579 /nfs/dbraw/zinc/15/85/79/622158579.db2.gz QQBYCGXRJYUVTA-RYUDHWBXSA-N 1 1 320.418 3.036 20 5 DGBDMO Cc1ccc(CN2CC[C@](C[NH3+])(C(C)(C)C)C2)cc1[N+](=O)[O-] ZINC000866710035 622158923 /nfs/dbraw/zinc/15/89/23/622158923.db2.gz WIYGGNNRXINLNS-QGZVFWFLSA-N 1 1 305.422 3.100 20 5 DGBDMO Cc1nn(C[N@H+](CC(C)C)C2CC2)c2ccc([N+](=O)[O-])cc12 ZINC000764877037 622229262 /nfs/dbraw/zinc/22/92/62/622229262.db2.gz FDUUNXWHMJYMTM-UHFFFAOYSA-N 1 1 302.378 3.331 20 5 DGBDMO Cc1nn(C[N@H+]2CCC3(CCC3)C2)c2ccc([N+](=O)[O-])cc12 ZINC000765072357 622244024 /nfs/dbraw/zinc/24/40/24/622244024.db2.gz ASHUJGMXAWPJQB-UHFFFAOYSA-N 1 1 300.362 3.086 20 5 DGBDMO Cc1nn(C[N@@H+]2CC[C@@H](C)[C@@H](C)C2)c2ccc([N+](=O)[O-])cc12 ZINC000766375317 622325171 /nfs/dbraw/zinc/32/51/71/622325171.db2.gz UGMNKJBTEZJSMI-NEPJUHHUSA-N 1 1 302.378 3.188 20 5 DGBDMO Cc1cc(C)c(COC(=O)c2ccc([N+](=O)[O-])cc2F)c(C)[nH+]1 ZINC000869362716 622347706 /nfs/dbraw/zinc/34/77/06/622347706.db2.gz NZGOBMRYEDVYJJ-UHFFFAOYSA-N 1 1 318.304 3.411 20 5 DGBDMO O=[N+]([O-])c1cc(C[N@@H+]2CCC[C@@H](n3ccnc3)C2)ccc1Cl ZINC000768541749 622463209 /nfs/dbraw/zinc/46/32/09/622463209.db2.gz LCEMCGZVIGASGB-CYBMUJFWSA-N 1 1 320.780 3.282 20 5 DGBDMO O=[N+]([O-])c1cc(C[N@H+]2CCC[C@@H](n3ccnc3)C2)ccc1Cl ZINC000768541749 622463210 /nfs/dbraw/zinc/46/32/10/622463210.db2.gz LCEMCGZVIGASGB-CYBMUJFWSA-N 1 1 320.780 3.282 20 5 DGBDMO O=[N+]([O-])c1cc(C[N@H+]2CCC[C@H]3COCC[C@@H]32)ccc1Cl ZINC000768548392 622464301 /nfs/dbraw/zinc/46/43/01/622464301.db2.gz BFYAFQCMDGJSBI-JSGCOSHPSA-N 1 1 310.781 3.249 20 5 DGBDMO OC[C@H]1C[N@@H+](Cc2c3ccccc3cc3ccccc32)CCO1 ZINC000769397603 622524182 /nfs/dbraw/zinc/52/41/82/622524182.db2.gz PHWJNRPGFPCZBW-QGZVFWFLSA-N 1 1 307.393 3.186 20 5 DGBDMO CSc1ccc([N+](=O)[O-])cc1[C@H](C)NCC[NH+]1CCCC1 ZINC000872018224 622754457 /nfs/dbraw/zinc/75/44/57/622754457.db2.gz JYKSQLWBAPFXCB-LBPRGKRZSA-N 1 1 309.435 3.063 20 5 DGBDMO CC[N@H+]1CC[C@@H](CN[C@@H](C)c2cc([N+](=O)[O-])ccc2SC)C1 ZINC000872026168 622760056 /nfs/dbraw/zinc/76/00/56/622760056.db2.gz YKABPRKGIINMRS-STQMWFEESA-N 1 1 323.462 3.309 20 5 DGBDMO COc1ccc(C[NH2+][C@@H](C)c2cc(O)ccc2F)cc1[N+](=O)[O-] ZINC000872029885 622761711 /nfs/dbraw/zinc/76/17/11/622761711.db2.gz VDNGEANQPCKPOX-JTQLQIEISA-N 1 1 320.320 3.299 20 5 DGBDMO CSc1ccc([N+](=O)[O-])cc1[C@@H](C)NC[C@@H]1CCC[N@@H+]1C ZINC000872028737 622761742 /nfs/dbraw/zinc/76/17/42/622761742.db2.gz SNEVAKBSZZPWRK-YPMHNXCESA-N 1 1 309.435 3.062 20 5 DGBDMO CSc1ccc([N+](=O)[O-])cc1[C@@H](C)NC[C@@H]1CCC[N@H+]1C ZINC000872028737 622761746 /nfs/dbraw/zinc/76/17/46/622761746.db2.gz SNEVAKBSZZPWRK-YPMHNXCESA-N 1 1 309.435 3.062 20 5 DGBDMO CC[NH+]1CCC(CN[C@H](C)c2c(F)cccc2[N+](=O)[O-])CC1 ZINC000872033075 622765064 /nfs/dbraw/zinc/76/50/64/622765064.db2.gz DXNUBNYENQKXDN-GFCCVEGCSA-N 1 1 309.385 3.116 20 5 DGBDMO C[C@H](NCC1(C)CC[NH+](C)CC1)c1c(F)cccc1[N+](=O)[O-] ZINC000872060166 622782090 /nfs/dbraw/zinc/78/20/90/622782090.db2.gz NGSIRHCBUZWZIJ-LBPRGKRZSA-N 1 1 309.385 3.116 20 5 DGBDMO C[C@@H](NCC1CC[NH+](C2CC2)CC1)c1c(F)cccc1[N+](=O)[O-] ZINC000872068622 622787777 /nfs/dbraw/zinc/78/77/77/622787777.db2.gz YAZOMJLHYFVQDU-GFCCVEGCSA-N 1 1 321.396 3.259 20 5 DGBDMO Cc1nccnc1[C@H](C)[NH2+][C@H](C)c1cccc([N+](=O)[O-])c1C ZINC000872134601 622827498 /nfs/dbraw/zinc/82/74/98/622827498.db2.gz SIQXJFSFFWDLKT-YPMHNXCESA-N 1 1 300.362 3.413 20 5 DGBDMO COc1ccc(OC)c(C[NH2+][C@H](C)c2ccccc2[N+](=O)[O-])c1 ZINC000873184249 623064747 /nfs/dbraw/zinc/06/47/47/623064747.db2.gz HZXBGAODEURDDE-GFCCVEGCSA-N 1 1 316.357 3.463 20 5 DGBDMO CCOc1ccc(C[NH2+][C@H](C)c2ccccc2[N+](=O)[O-])nc1 ZINC000873183706 623065324 /nfs/dbraw/zinc/06/53/24/623065324.db2.gz CFQJWPOUAUXMES-GFCCVEGCSA-N 1 1 301.346 3.239 20 5 DGBDMO CC[C@@H]1[C@@H](C)CC[N@H+]1Cn1nc(C)c2cc([N+](=O)[O-])ccc21 ZINC000774620740 623167135 /nfs/dbraw/zinc/16/71/35/623167135.db2.gz VRMKFUAAWIPIEU-XHDPSFHLSA-N 1 1 302.378 3.331 20 5 DGBDMO CC[C@H]1CC[N@H+](Cn2ncc3cc([N+](=O)[O-])cc(Cl)c32)C1 ZINC000774639151 623169372 /nfs/dbraw/zinc/16/93/72/623169372.db2.gz UBUGTWBJTAAJMQ-JTQLQIEISA-N 1 1 308.769 3.287 20 5 DGBDMO CC[C@H]1CC[N@@H+](Cn2ncc3cc([N+](=O)[O-])cc(Cl)c32)C1 ZINC000774639151 623169374 /nfs/dbraw/zinc/16/93/74/623169374.db2.gz UBUGTWBJTAAJMQ-JTQLQIEISA-N 1 1 308.769 3.287 20 5 DGBDMO CC[C@@H]1CC[N@H+](Cn2ncc3cc([N+](=O)[O-])cc(Cl)c32)C1 ZINC000774639154 623169499 /nfs/dbraw/zinc/16/94/99/623169499.db2.gz UBUGTWBJTAAJMQ-SNVBAGLBSA-N 1 1 308.769 3.287 20 5 DGBDMO CC[C@@H]1CC[N@@H+](Cn2ncc3cc([N+](=O)[O-])cc(Cl)c32)C1 ZINC000774639154 623169501 /nfs/dbraw/zinc/16/95/01/623169501.db2.gz UBUGTWBJTAAJMQ-SNVBAGLBSA-N 1 1 308.769 3.287 20 5 DGBDMO C[N@H+](Cc1ccc([N+](=O)[O-])cc1[N+](=O)[O-])C[C@@H]1CC=CCC1 ZINC000775060340 623223599 /nfs/dbraw/zinc/22/35/99/623223599.db2.gz JCERKKUMYPSYKY-GFCCVEGCSA-N 1 1 305.334 3.291 20 5 DGBDMO CCCCCC[N@@H+](C)CC(=O)N[C@@H](C)c1ccccc1[N+](=O)[O-] ZINC000775596958 623294403 /nfs/dbraw/zinc/29/44/03/623294403.db2.gz LEPDSVOAAGPBBL-AWEZNQCLSA-N 1 1 321.421 3.284 20 5 DGBDMO CC(C)[N@H+]1CC[C@@H](N(C)Cc2cc([N+](=O)[O-])ccc2Cl)C1 ZINC000775644706 623302123 /nfs/dbraw/zinc/30/21/23/623302123.db2.gz OHQACNZPEUGBFZ-CQSZACIVSA-N 1 1 311.813 3.163 20 5 DGBDMO CCS[C@H]1CCCC[N@@H+](C[C@H](O)c2ccc([N+](=O)[O-])cc2)C1 ZINC000776581690 623443041 /nfs/dbraw/zinc/44/30/41/623443041.db2.gz HMDPKIXXXJPWFD-HOTGVXAUSA-N 1 1 324.446 3.236 20 5 DGBDMO CCS[C@H]1CCCC[N@@H+](C[C@@H](O)c2ccc([N+](=O)[O-])cc2)C1 ZINC000776581692 623443485 /nfs/dbraw/zinc/44/34/85/623443485.db2.gz HMDPKIXXXJPWFD-JKSUJKDBSA-N 1 1 324.446 3.236 20 5 DGBDMO CCS[C@@H]1CC[C@H]([N@@H+](C)C[C@@H](O)c2ccc([N+](=O)[O-])cc2)C1 ZINC000776588096 623444110 /nfs/dbraw/zinc/44/41/10/623444110.db2.gz KQMDSLLSTAVINM-ARFHVFGLSA-N 1 1 324.446 3.234 20 5 DGBDMO C[C@@H]1C[N@@H+](C[C@H](O)c2ccc([N+](=O)[O-])cc2)[C@@H]1c1ccccc1 ZINC000776591239 623445252 /nfs/dbraw/zinc/44/52/52/623445252.db2.gz HZCDDFHBMDEETR-BVGQSLNGSA-N 1 1 312.369 3.321 20 5 DGBDMO C[C@@H]1COCC[N@H+](Cc2ccc(C(F)(F)F)cc2[N+](=O)[O-])C1 ZINC000876752358 623697816 /nfs/dbraw/zinc/69/78/16/623697816.db2.gz MSRTYOINAPPZCA-JTQLQIEISA-N 1 1 318.295 3.082 20 5 DGBDMO C[C@@H]1COCC[N@@H+](Cc2ccc(C(F)(F)F)cc2[N+](=O)[O-])C1 ZINC000876752358 623697819 /nfs/dbraw/zinc/69/78/19/623697819.db2.gz MSRTYOINAPPZCA-JTQLQIEISA-N 1 1 318.295 3.082 20 5 DGBDMO C[C@H](OC(=O)C(C)(C)[NH+]1CCCC1)c1cccc([N+](=O)[O-])c1 ZINC000805615794 623700512 /nfs/dbraw/zinc/70/05/12/623700512.db2.gz INVBKQZIUPUNKF-LBPRGKRZSA-N 1 1 306.362 3.073 20 5 DGBDMO CC(C)(O)[C@@H]1CCC[N@@H+](C/C=C/c2ccccc2[N+](=O)[O-])C1 ZINC000877796275 624037051 /nfs/dbraw/zinc/03/70/51/624037051.db2.gz BRVAQCTWFXKREX-SBJJXXPASA-N 1 1 304.390 3.091 20 5 DGBDMO C[C@@H]1C[N@H+](Cc2ccccc2[N+](=O)[O-])CC[C@H](C(F)(F)F)O1 ZINC000877824691 624058166 /nfs/dbraw/zinc/05/81/66/624058166.db2.gz UNDSUSAYVKWLAQ-ZWNOBZJWSA-N 1 1 318.295 3.137 20 5 DGBDMO C[C@@H]1C[N@@H+](Cc2ccccc2[N+](=O)[O-])CC[C@H](C(F)(F)F)O1 ZINC000877824691 624058170 /nfs/dbraw/zinc/05/81/70/624058170.db2.gz UNDSUSAYVKWLAQ-ZWNOBZJWSA-N 1 1 318.295 3.137 20 5 DGBDMO C[C@H]1CC[C@]2(CC[N@@H+](Cn3ncc4ccc([N+](=O)[O-])cc43)C2)C1 ZINC000781586654 624098810 /nfs/dbraw/zinc/09/88/10/624098810.db2.gz NBFZNSYTFSMMSQ-GUYCJALGSA-N 1 1 314.389 3.414 20 5 DGBDMO C[C@@H]1CC[C@]2(CC[N@@H+](Cn3ncc4ccc([N+](=O)[O-])cc43)C2)C1 ZINC000781586653 624099039 /nfs/dbraw/zinc/09/90/39/624099039.db2.gz NBFZNSYTFSMMSQ-DYVFJYSZSA-N 1 1 314.389 3.414 20 5 DGBDMO C[C@@H]1C[N@@H+](Cc2nnc(-c3ccccc3[N+](=O)[O-])o2)C(C)(C)C1 ZINC000878158538 624193738 /nfs/dbraw/zinc/19/37/38/624193738.db2.gz IXDGXWJLBQCCCT-NSHDSACASA-N 1 1 316.361 3.265 20 5 DGBDMO CC[C@H]1C[C@H](C)C[N@H+]1CCC(=O)Nc1cc([N+](=O)[O-])ccc1F ZINC000782502699 624257272 /nfs/dbraw/zinc/25/72/72/624257272.db2.gz FPCHKYIUKQOSDA-RYUDHWBXSA-N 1 1 323.368 3.183 20 5 DGBDMO C[C@H]1CCCC[N@@H+](Cc2nnc(-c3ccccc3[N+](=O)[O-])o2)C1 ZINC000878450821 624281589 /nfs/dbraw/zinc/28/15/89/624281589.db2.gz ANUPQTCRHYWVFP-LBPRGKRZSA-N 1 1 316.361 3.267 20 5 DGBDMO Cc1nn(C[N@@H+]2C[C@H](c3ccc(C)cc3)C[C@@H]2C)cc1[N+](=O)[O-] ZINC000782957635 624294834 /nfs/dbraw/zinc/29/48/34/624294834.db2.gz XTXCBCUAXWLJEN-XJKSGUPXSA-N 1 1 314.389 3.244 20 5 DGBDMO O=[N+]([O-])c1ccc(C[NH2+][C@@H](CO)c2cccc(F)c2)cc1Cl ZINC000783625770 624376597 /nfs/dbraw/zinc/37/65/97/624376597.db2.gz ZYZMFMHUSPYDEX-AWEZNQCLSA-N 1 1 324.739 3.211 20 5 DGBDMO O=[N+]([O-])c1ccc(C[NH2+][C@@H](CO)c2ccsc2)cc1Cl ZINC000783676742 624382889 /nfs/dbraw/zinc/38/28/89/624382889.db2.gz NANTYNFCWKHXNJ-LBPRGKRZSA-N 1 1 312.778 3.133 20 5 DGBDMO O=[N+]([O-])c1cc(C[N@@H+]2CCC[C@@H]2[C@H](O)c2ccccc2)cs1 ZINC000879241784 624458284 /nfs/dbraw/zinc/45/82/84/624458284.db2.gz NTAXYSRWTFUOFO-GDBMZVCRSA-N 1 1 318.398 3.354 20 5 DGBDMO COC(=O)CC[C@@H]1CCC[N@H+]([C@H](C)c2cccc([N+](=O)[O-])c2)C1 ZINC000880037284 624762817 /nfs/dbraw/zinc/76/28/17/624762817.db2.gz HZMOIKQPNJHEMM-KGLIPLIRSA-N 1 1 320.389 3.321 20 5 DGBDMO CO[C@@]1(C(F)(F)F)CC[N@@H+]([C@@H](C)c2ccccc2[N+](=O)[O-])C1 ZINC000880302356 624904208 /nfs/dbraw/zinc/90/42/08/624904208.db2.gz FMKQVQCBAYWZRN-GWCFXTLKSA-N 1 1 318.295 3.309 20 5 DGBDMO CO[C@@]1(C(F)(F)F)CC[N@H+]([C@@H](C)c2ccccc2[N+](=O)[O-])C1 ZINC000880302356 624904210 /nfs/dbraw/zinc/90/42/10/624904210.db2.gz FMKQVQCBAYWZRN-GWCFXTLKSA-N 1 1 318.295 3.309 20 5 DGBDMO COc1ccc([N+](=O)[O-])cc1C[N@H+]1CC[C@@H](c2nccs2)C1 ZINC000880313385 624910354 /nfs/dbraw/zinc/91/03/54/624910354.db2.gz MELGZBNMKNKSOM-LLVKDONJSA-N 1 1 319.386 3.049 20 5 DGBDMO C[N@@H+](C[C@@H](O)c1ccc([N+](=O)[O-])cc1)C1CCC(F)(F)CC1 ZINC000805839438 625014037 /nfs/dbraw/zinc/01/40/37/625014037.db2.gz JOXLKGVLKLCUGZ-CQSZACIVSA-N 1 1 314.332 3.138 20 5 DGBDMO CC1(C)CC[N@@H+](Cn2ncc3cc([N+](=O)[O-])ccc32)CCS1 ZINC000788376996 625144134 /nfs/dbraw/zinc/14/41/34/625144134.db2.gz SLAOOHJSGLLTKC-UHFFFAOYSA-N 1 1 320.418 3.120 20 5 DGBDMO C[C@@H]([NH2+]Cc1ccc(Cl)cn1)c1ccc(N)c([N+](=O)[O-])c1 ZINC000788687119 625243639 /nfs/dbraw/zinc/24/36/39/625243639.db2.gz BYUTXVPLSFJDQD-SECBINFHSA-N 1 1 306.753 3.076 20 5 DGBDMO Cc1nn(C[N@H+]2CCC[C@@H]2Cc2ccccc2)c(C)c1[N+](=O)[O-] ZINC000026234456 625862586 /nfs/dbraw/zinc/86/25/86/625862586.db2.gz IKEDWALSGCBBSV-MRXNPFEDSA-N 1 1 314.389 3.073 20 5 DGBDMO O=[N+]([O-])c1ccccc1/C=C\C[N@H+]1CC[C@@H](c2ccccn2)C1 ZINC000798962948 626264158 /nfs/dbraw/zinc/26/41/58/626264158.db2.gz UBEZGRZDRZEWQQ-GMNBZTITSA-N 1 1 309.369 3.493 20 5 DGBDMO CSCCC[N@@H+](C)Cn1cc(-c2cccc([N+](=O)[O-])c2)cn1 ZINC000799159854 626276369 /nfs/dbraw/zinc/27/63/69/626276369.db2.gz MKQMKPYOLDZVFF-UHFFFAOYSA-N 1 1 320.418 3.101 20 5 DGBDMO C[N@@H+](CCc1cccc([N+](=O)[O-])c1)C[C@H]1CC1(Cl)Cl ZINC000801600749 626411903 /nfs/dbraw/zinc/41/19/03/626411903.db2.gz UEUWHFAOGBDBEM-LLVKDONJSA-N 1 1 303.189 3.263 20 5 DGBDMO Cc1ccc(C[NH2+][C@@H](C)c2ccc(N)c([N+](=O)[O-])c2)c(Cl)n1 ZINC000883302321 626640282 /nfs/dbraw/zinc/64/02/82/626640282.db2.gz VLVTVVGWJQQEBG-JTQLQIEISA-N 1 1 320.780 3.385 20 5 DGBDMO C[C@H](OC(=O)CC[C@H]1CCCC[N@H+]1C)c1ccccc1[N+](=O)[O-] ZINC000803854848 626644225 /nfs/dbraw/zinc/64/42/25/626644225.db2.gz BITLOWCSQNNXIY-UONOGXRCSA-N 1 1 320.389 3.464 20 5 DGBDMO C[N@H+]1CCCC[C@@H]1CCC(=O)OCc1cc(F)ccc1[N+](=O)[O-] ZINC000803861233 626645356 /nfs/dbraw/zinc/64/53/56/626645356.db2.gz WOFLUUMPTSTQTC-CQSZACIVSA-N 1 1 324.352 3.042 20 5 DGBDMO CC(=O)c1cc([N+](=O)[O-])ccc1NC[C@H](C)[N@H+]1CCC[C@H](C)C1 ZINC000804349175 626672423 /nfs/dbraw/zinc/67/24/23/626672423.db2.gz JTZIGEIIYXECBY-STQMWFEESA-N 1 1 319.405 3.330 20 5 DGBDMO CC(C)[N@H+]1CCC[C@H](CNc2c([N+](=O)[O-])cccc2[N+](=O)[O-])C1 ZINC000804392331 626676183 /nfs/dbraw/zinc/67/61/83/626676183.db2.gz XTAKFYWFTTVWIK-GFCCVEGCSA-N 1 1 322.365 3.035 20 5 DGBDMO CCCC[N@@H+](C)C[C@H](C)NCc1cc([N+](=O)[O-])ccc1Cl ZINC000808454553 626826559 /nfs/dbraw/zinc/82/65/59/626826559.db2.gz LNGXSQKQOLDMCT-LBPRGKRZSA-N 1 1 313.829 3.458 20 5 DGBDMO C[N@@H+](Cn1cc([N+](=O)[O-])cn1)[C@H]1CCCC[C@@H]1c1ccccc1 ZINC000840181963 626922602 /nfs/dbraw/zinc/92/26/02/626922602.db2.gz MUYFTWWODQDDMO-SJORKVTESA-N 1 1 314.389 3.407 20 5 DGBDMO CC(C)C[N@H+](CCN(C)C)Cc1ccc([N+](=O)[O-])c(Cl)c1 ZINC000809729423 626942361 /nfs/dbraw/zinc/94/23/61/626942361.db2.gz HTOTWHXOJUARJB-UHFFFAOYSA-N 1 1 313.829 3.268 20 5 DGBDMO CC(C)C[N@@H+](CCN(C)C)Cc1ccc([N+](=O)[O-])c(Cl)c1 ZINC000809729423 626942362 /nfs/dbraw/zinc/94/23/62/626942362.db2.gz HTOTWHXOJUARJB-UHFFFAOYSA-N 1 1 313.829 3.268 20 5 DGBDMO O=[N+]([O-])c1ncccc1C[N@H+]1CC[C@H](Cc2ccc(F)cc2)C1 ZINC000886014489 627083449 /nfs/dbraw/zinc/08/34/49/627083449.db2.gz IMKRQMUPKXZXSF-CQSZACIVSA-N 1 1 315.348 3.194 20 5 DGBDMO CCC[N@@H+](Cc1cccnc1[N+](=O)[O-])[C@@H]1[C@@H]2CCO[C@H]2C1(C)C ZINC000886018560 627085592 /nfs/dbraw/zinc/08/55/92/627085592.db2.gz CFBQWSOSZSUNPD-RRFJBIMHSA-N 1 1 319.405 3.015 20 5 DGBDMO CCC1(CC)[C@H]([N@@H+](C)Cc2cccnc2[N+](=O)[O-])C[C@@H]1OC ZINC000886075157 627099415 /nfs/dbraw/zinc/09/94/15/627099415.db2.gz CXOHFAAZHPXAQU-KGLIPLIRSA-N 1 1 307.394 3.015 20 5 DGBDMO O=[N+]([O-])c1ncccc1C[NH2+]C1(c2ccc(Cl)cc2)CC1 ZINC000886111787 627107138 /nfs/dbraw/zinc/10/71/38/627107138.db2.gz IVMJGEMUDIAKEV-UHFFFAOYSA-N 1 1 303.749 3.422 20 5 DGBDMO C[N@@H+](CCc1ccccc1[N+](=O)[O-])C[C@@H]1CC[C@H](C2CC2)O1 ZINC000886201417 627120333 /nfs/dbraw/zinc/12/03/33/627120333.db2.gz DLJWKPKHRZQDSB-DOTOQJQBSA-N 1 1 304.390 3.027 20 5 DGBDMO C[C@H](Cc1cccc(F)c1)[N@@H+](C)Cc1cccnc1[N+](=O)[O-] ZINC000886243004 627126655 /nfs/dbraw/zinc/12/66/55/627126655.db2.gz LRWYAKGOFBPPAM-GFCCVEGCSA-N 1 1 303.337 3.192 20 5 DGBDMO Cc1[nH+]ccn1-c1ncccc1CNc1cccc(C)c1[N+](=O)[O-] ZINC000811826433 627326307 /nfs/dbraw/zinc/32/63/07/627326307.db2.gz ZKUXIZPIWWKPRX-UHFFFAOYSA-N 1 1 323.356 3.404 20 5 DGBDMO CCC[N@@H+](CC)C[C@@H](C)Nc1c([N+](=O)[O-])cccc1[N+](=O)[O-] ZINC000811867388 627331687 /nfs/dbraw/zinc/33/16/87/627331687.db2.gz MSPMORPTJDQGOP-LLVKDONJSA-N 1 1 310.354 3.035 20 5 DGBDMO COCC1(C[N@@H+](C)Cc2cc([N+](=O)[O-])ccc2Cl)CCC1 ZINC000812828692 627426366 /nfs/dbraw/zinc/42/63/66/627426366.db2.gz GAXADROYHVUHOP-UHFFFAOYSA-N 1 1 312.797 3.497 20 5 DGBDMO O=[N+]([O-])c1ccc(C[N@@H+]2CCOC[C@@H](C3CCC3)C2)cc1Cl ZINC000814178370 627547127 /nfs/dbraw/zinc/54/71/27/627547127.db2.gz NGIRSTNXNOUCIQ-AWEZNQCLSA-N 1 1 324.808 3.497 20 5 DGBDMO O=[N+]([O-])c1ccc(C[N@H+]2CCOC[C@@H](C3CCC3)C2)cc1Cl ZINC000814178370 627547131 /nfs/dbraw/zinc/54/71/31/627547131.db2.gz NGIRSTNXNOUCIQ-AWEZNQCLSA-N 1 1 324.808 3.497 20 5 DGBDMO CC(C)c1cc(C[NH2+][C@H](C)c2ccc(N)c([N+](=O)[O-])c2)on1 ZINC000815580582 627687245 /nfs/dbraw/zinc/68/72/45/627687245.db2.gz MSNYHWNYKOVISD-SNVBAGLBSA-N 1 1 304.350 3.139 20 5 DGBDMO O=[N+]([O-])c1ccccc1C[NH2+][C@H]1CCc2c1nccc2Cl ZINC000925310539 627729226 /nfs/dbraw/zinc/72/92/26/627729226.db2.gz NAGACSYXHHHDKK-ZDUSSCGKSA-N 1 1 303.749 3.420 20 5 DGBDMO CC(C)[C@H]1C[N@H+](Cc2ccc([N+](=O)[O-])c(Cl)c2)CCCO1 ZINC000816676033 627823257 /nfs/dbraw/zinc/82/32/57/627823257.db2.gz QUEUNVAPTQUFHB-OAHLLOKOSA-N 1 1 312.797 3.495 20 5 DGBDMO CC(C)[C@H]1C[N@@H+](Cc2ccc([N+](=O)[O-])c(Cl)c2)CCCO1 ZINC000816676033 627823259 /nfs/dbraw/zinc/82/32/59/627823259.db2.gz QUEUNVAPTQUFHB-OAHLLOKOSA-N 1 1 312.797 3.495 20 5 DGBDMO C[C@@H]1CC2(CN1Cc1cc(Cl)ccc1[N+](=O)[O-])CC[NH2+]CC2 ZINC000818340689 628015682 /nfs/dbraw/zinc/01/56/82/628015682.db2.gz QNQQSOMGVDLEIA-GFCCVEGCSA-N 1 1 323.824 3.212 20 5 DGBDMO CC[C@@H]([NH2+]Cc1cc(C2CC2)n(C)n1)c1cccc([N+](=O)[O-])c1 ZINC000927111575 628017515 /nfs/dbraw/zinc/01/75/15/628017515.db2.gz AAQKPKLWXCVWLM-MRXNPFEDSA-N 1 1 314.389 3.447 20 5 DGBDMO C[C@@H]([NH2+]C1([C@H]2CCCCO2)CC1)c1c(F)cccc1[N+](=O)[O-] ZINC000927159355 628028677 /nfs/dbraw/zinc/02/86/77/628028677.db2.gz NMANFUWCAIPORO-BXUZGUMPSA-N 1 1 308.353 3.486 20 5 DGBDMO O[C@H]1COCC[N@@H+](Cc2c3ccccc3cc3ccccc32)C1 ZINC000824620123 628677762 /nfs/dbraw/zinc/67/77/62/628677762.db2.gz CSNBLDJJEWEJGO-QGZVFWFLSA-N 1 1 307.393 3.186 20 5 DGBDMO CC1(C)C[C@@H](O)CC[N@@H+](Cc2ccc([N+](=O)[O-])c(Cl)c2)C1 ZINC000825090697 628726000 /nfs/dbraw/zinc/72/60/00/628726000.db2.gz DUEYHTHGSYVTJS-LBPRGKRZSA-N 1 1 312.797 3.231 20 5 DGBDMO CC(C)[N@H+]1CC[C@@H](N(C)Cc2ccc(Cl)c([N+](=O)[O-])c2)C1 ZINC000825332391 628750670 /nfs/dbraw/zinc/75/06/70/628750670.db2.gz WIJYZBYHVUNYET-CYBMUJFWSA-N 1 1 311.813 3.163 20 5 DGBDMO COCC1(C2CCC2)C[NH+](Cc2ccc([N+](=O)[O-])c(Cl)c2)C1 ZINC000827011242 628912708 /nfs/dbraw/zinc/91/27/08/628912708.db2.gz GWYHNBBSOVPXIC-UHFFFAOYSA-N 1 1 324.808 3.497 20 5 DGBDMO C[C@H](O)[C@@H]([NH2+]Cc1cc(Cl)ccc1[N+](=O)[O-])c1ccccc1 ZINC000827856059 628997671 /nfs/dbraw/zinc/99/76/71/628997671.db2.gz KXJBONBWRZYGJD-MEDUHNTESA-N 1 1 320.776 3.460 20 5 DGBDMO C[C@@H](O)[C@@H]([NH2+]Cc1cc(Cl)ccc1[N+](=O)[O-])c1ccccc1 ZINC000827856057 628997712 /nfs/dbraw/zinc/99/77/12/628997712.db2.gz KXJBONBWRZYGJD-BDJLRTHQSA-N 1 1 320.776 3.460 20 5 DGBDMO C[C@@H]1CN(c2cc(Cl)ccc2[N+](=O)[O-])CC[N@H+](C2CC2)C1 ZINC000828263299 629039329 /nfs/dbraw/zinc/03/93/29/629039329.db2.gz AMFWRUFGDSXBHZ-NSHDSACASA-N 1 1 309.797 3.169 20 5 DGBDMO O=[N+]([O-])c1ccc(C[N@H+]2CCC[C@@H]2[C@H]2CCCOC2)cc1F ZINC000828906262 629107799 /nfs/dbraw/zinc/10/77/99/629107799.db2.gz VSHDBUJCLMCNHB-DZGCQCFKSA-N 1 1 308.353 3.125 20 5 DGBDMO CCC(=O)c1ccc(N2CC[N@@H+](CC)C[C@@H]2CC)c([N+](=O)[O-])c1 ZINC000829127124 629132573 /nfs/dbraw/zinc/13/25/73/629132573.db2.gz VCAMAFPYZMHSRF-AWEZNQCLSA-N 1 1 319.405 3.108 20 5 DGBDMO CCC(=O)c1ccc(N2CC[N@H+](CC)C[C@@H]2CC)c([N+](=O)[O-])c1 ZINC000829127124 629132577 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20 5 DGBDMO COc1cc([N+](=O)[O-])ccc1C[N@H+]1CCC[C@@]2(CC2(F)F)C1 ZINC000844439472 630729657 /nfs/dbraw/zinc/72/96/57/630729657.db2.gz IDTXRSLQZDUSAW-CQSZACIVSA-N 1 1 312.316 3.225 20 5 DGBDMO C[NH2+]Cc1ccccc1CNCc1ccc([N+](=O)[O-])c(Cl)c1 ZINC000844905261 630973043 /nfs/dbraw/zinc/97/30/43/630973043.db2.gz WYIGYUUYRLRIFW-UHFFFAOYSA-N 1 1 319.792 3.257 20 5 DGBDMO O=[N+]([O-])c1cc(F)c(Cl)cc1N1CCC[C@H](c2[nH]cc[nH+]2)C1 ZINC000845484299 631178033 /nfs/dbraw/zinc/17/80/33/631178033.db2.gz QVLLNCOSQACUJU-VIFPVBQESA-N 1 1 324.743 3.494 20 5 DGBDMO O=[N+]([O-])c1ccccc1C[N@H+](Cc1ccc2nonc2c1)C1CC1 ZINC000846832100 631321561 /nfs/dbraw/zinc/32/15/61/631321561.db2.gz NKGVRTSUIQVWOU-UHFFFAOYSA-N 1 1 324.340 3.296 20 5 DGBDMO O=[N+]([O-])c1ccccc1C[N@@H+](Cc1ccc2nonc2c1)C1CC1 ZINC000846832100 631321571 /nfs/dbraw/zinc/32/15/71/631321571.db2.gz NKGVRTSUIQVWOU-UHFFFAOYSA-N 1 1 324.340 3.296 20 5 DGBDMO O=[N+]([O-])c1ccccc1-c1cnn(C[N@H+]2CCC3(CCC3)C2)c1 ZINC000848482299 631668408 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DGBDMO Cc1nn(C[N@H+]2CC[C@@H](c3ccc(C)cc3C)C2)cc1[N+](=O)[O-] ZINC000794656207 661096745 /nfs/dbraw/zinc/09/67/45/661096745.db2.gz QDESHNYLRNCBJH-OAHLLOKOSA-N 1 1 314.389 3.164 20 5 DGBDMO C[C@@]1(c2ccccc2)CCC[N@@H+](Cn2nccc2[N+](=O)[O-])CC1 ZINC000795671179 661166728 /nfs/dbraw/zinc/16/67/28/661166728.db2.gz KIUZDTJXJAOKEL-QGZVFWFLSA-N 1 1 314.389 3.193 20 5 DGBDMO O=[N+]([O-])c1cc(F)ccc1C[N@H+]1CCC[C@@H](C2CCOCC2)C1 ZINC000933088329 655675567 /nfs/dbraw/zinc/67/55/67/655675567.db2.gz KPSSIHIHDBUCBD-CQSZACIVSA-N 1 1 322.380 3.373 20 5 DGBDMO O=[N+]([O-])c1ccc(F)cc1C[N@H+]1CCCSC[C@H]1C1CC1 ZINC000933916448 655738197 /nfs/dbraw/zinc/73/81/97/655738197.db2.gz RCJOHNUXMYQEMT-HNNXBMFYSA-N 1 1 310.394 3.451 20 5 DGBDMO O=[N+]([O-])c1ccc(C[N@H+]2CC[C@H](Cc3nccs3)C2)cc1 ZINC000934333009 655768432 /nfs/dbraw/zinc/76/84/32/655768432.db2.gz JCRXFQLZSKMLLI-CYBMUJFWSA-N 1 1 303.387 3.116 20 5 DGBDMO Cc1[nH]c(CN(Cc2ccc([N+](=O)[O-])cc2)C2CC2)c(C)[nH+]1 ZINC000930141000 661259983 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O=[N+]([O-])c1cccc(C[N@@H+](CCc2ccns2)C2CC2)c1 ZINC000929853984 661344904 /nfs/dbraw/zinc/34/49/04/661344904.db2.gz QJNBQXAPFBHOII-UHFFFAOYSA-N 1 1 303.387 3.258 20 5 DGBDMO O=[N+]([O-])c1ccc(C[N@@H+](CCc2ccns2)C2CC2)cc1 ZINC000930141108 661370887 /nfs/dbraw/zinc/37/08/87/661370887.db2.gz QRJYJTJUVBIOMH-UHFFFAOYSA-N 1 1 303.387 3.258 20 5 DGBDMO C[C@H](c1ncccn1)[N@@H+]1CCC[C@@H](c2ccc([N+](=O)[O-])cc2)C1 ZINC000930637136 661417596 /nfs/dbraw/zinc/41/75/96/661417596.db2.gz KDBSUMHSYBCPEW-UKRRQHHQSA-N 1 1 312.373 3.325 20 5 DGBDMO C[C@H](c1ncccn1)[N@H+]1CCC[C@@H](c2ccc([N+](=O)[O-])cc2)C1 ZINC000930637136 661417597 /nfs/dbraw/zinc/41/75/97/661417597.db2.gz KDBSUMHSYBCPEW-UKRRQHHQSA-N 1 1 312.373 3.325 20 5 DGBDMO C[C@@H](c1ccccc1)[C@H]1CCC[N@H+]1CCn1cc([N+](=O)[O-])cn1 ZINC000932277528 661556076 /nfs/dbraw/zinc/55/60/76/661556076.db2.gz VODDGSRULFSVRH-WMLDXEAASA-N 1 1 314.389 3.059 20 5 DGBDMO C[C@@H](c1ccccc1)[C@@H]1CCC[N@H+]1CCn1ccc([N+](=O)[O-])n1 ZINC000932277846 661556136 /nfs/dbraw/zinc/55/61/36/661556136.db2.gz LEPSFQHXNYFHMK-HOCLYGCPSA-N 1 1 314.389 3.059 20 5 DGBDMO Cc1csc(C[C@H]2CC[N@@H+](Cc3ccc([N+](=O)[O-])cc3)C2)n1 ZINC000933133430 661619514 /nfs/dbraw/zinc/61/95/14/661619514.db2.gz YQSUXEPTNZNRCY-CQSZACIVSA-N 1 1 317.414 3.424 20 5 DGBDMO O=[N+]([O-])c1ccccc1C[N@H+]1CC[C@H](Cc2nccs2)C1 ZINC000934329468 661697710 /nfs/dbraw/zinc/69/77/10/661697710.db2.gz GWTDSONHKWJGJD-GFCCVEGCSA-N 1 1 303.387 3.116 20 5 DGBDMO C[N@@H+](CCNCc1cc(Cl)ccc1[N+](=O)[O-])C1CCCC1 ZINC000084440120 662200850 /nfs/dbraw/zinc/20/08/50/662200850.db2.gz DXRCFXGGMBZCQP-UHFFFAOYSA-N 1 1 311.813 3.212 20 5 DGBDMO C[C@@H](c1ccccc1[N+](=O)[O-])[N@@H+]1Cc2c[nH]nc2C[C@H](C)C1 ZINC001620582759 1192009761 /nfs/dbraw/zinc/00/97/61/1192009761.db2.gz QZZJHTVTEWCSOE-RYUDHWBXSA-N 1 1 300.362 3.073 20 5 DGBDMO C[N@H+]1CCN(Cc2ccc(Cl)cc2[N+](=O)[O-])CCC1(C)C ZINC001665368750 1197129256 /nfs/dbraw/zinc/12/92/56/1197129256.db2.gz JNCGCOQECDEPFJ-UHFFFAOYSA-N 1 1 311.813 3.164 20 5 DGBDMO CCC(=O)c1ccc(N[C@@H]2C[N@H+](C3CC3)C[C@H]2C)c([N+](=O)[O-])c1 ZINC000480064335 1178061903 /nfs/dbraw/zinc/06/19/03/1178061903.db2.gz STOQBAGMULCFRU-IAQYHMDHSA-N 1 1 317.389 3.082 20 5 DGBDMO CC(C)(CF)[NH2+]Cc1cc(Br)c([N+](=O)[O-])s1 ZINC001331066286 1178127137 /nfs/dbraw/zinc/12/71/37/1178127137.db2.gz IZECKXWJXLPLEE-UHFFFAOYSA-N 1 1 311.176 3.257 20 5 DGBDMO CC(C)[N@H+]1CC[C@@H](Nc2ncc([N+](=O)[O-])c3ccccc32)C1 ZINC001331541376 1178239875 /nfs/dbraw/zinc/23/98/75/1178239875.db2.gz HQCUOKBZPGEDQK-GFCCVEGCSA-N 1 1 300.362 3.038 20 5 DGBDMO CC(C)[N@H+]1CC[C@H](Nc2ncc([N+](=O)[O-])c3ccccc32)C1 ZINC001331541377 1178240299 /nfs/dbraw/zinc/24/02/99/1178240299.db2.gz HQCUOKBZPGEDQK-LBPRGKRZSA-N 1 1 300.362 3.038 20 5 DGBDMO COc1cc([N+](=O)[O-])ccc1[C@H](C)[NH2+][C@H](C)c1cnn(C)c1C ZINC001333320609 1178587798 /nfs/dbraw/zinc/58/77/98/1178587798.db2.gz DRSYMMJHTWQJLG-WDEREUQCSA-N 1 1 318.377 3.057 20 5 DGBDMO C/C(=C/c1cccc([N+](=O)[O-])c1)C[N@H+]1CCO[C@](C)(C2CC2)C1 ZINC001474626145 1181595162 /nfs/dbraw/zinc/59/51/62/1181595162.db2.gz USTMGEWMLMCCKQ-BLSFAOBESA-N 1 1 316.401 3.499 20 5 DGBDMO C/C(=C/c1cccc([N+](=O)[O-])c1)C[N@H+]1CCO[C@@](C)(C2CC2)C1 ZINC001474626149 1181595366 /nfs/dbraw/zinc/59/53/66/1181595366.db2.gz USTMGEWMLMCCKQ-RXEWJAMOSA-N 1 1 316.401 3.499 20 5 DGBDMO CC[N@H+]1CCCC[C@@H]1CNc1nc2ccccc2cc1[N+](=O)[O-] ZINC001458176598 1182501653 /nfs/dbraw/zinc/50/16/53/1182501653.db2.gz AXXMYZSSXLGNJS-CQSZACIVSA-N 1 1 314.389 3.429 20 5 DGBDMO CC1(C)CC[N@@H+](CCNc2ccc3ncccc3c2[N+](=O)[O-])C1 ZINC001458695998 1182549427 /nfs/dbraw/zinc/54/94/27/1182549427.db2.gz ITEIQJBVXWCMHU-UHFFFAOYSA-N 1 1 314.389 3.287 20 5 DGBDMO CCC[N@@H+](CCn1c(C)ncc1[N+](=O)[O-])Cc1ccc(F)cc1 ZINC001459383524 1182585030 /nfs/dbraw/zinc/58/50/30/1182585030.db2.gz SUBTXALTVAEMFU-UHFFFAOYSA-N 1 1 320.368 3.151 20 5 DGBDMO CC[C@@H]1CC[N@@H+](CCC(=O)Nc2cc([N+](=O)[O-])ccc2F)[C@H]1C ZINC001459987451 1182637558 /nfs/dbraw/zinc/63/75/58/1182637558.db2.gz PLKPVBSULIPFRH-NWDGAFQWSA-N 1 1 323.368 3.183 20 5 DGBDMO O=[N+]([O-])c1ccc(OCC[NH2+]Cc2csc(C3CC3)n2)cc1 ZINC001461159627 1182775624 /nfs/dbraw/zinc/77/56/24/1182775624.db2.gz JPBHLUFYENMPDT-UHFFFAOYSA-N 1 1 319.386 3.097 20 5 DGBDMO O=[N+]([O-])c1ccc2c(c1)C[N@@H+](Cc1cccc3c1OCC3)CC2 ZINC001461977939 1182889404 /nfs/dbraw/zinc/88/94/04/1182889404.db2.gz VRNZZMJVKCUZPS-UHFFFAOYSA-N 1 1 310.353 3.088 20 5 DGBDMO O=[N+]([O-])c1ccc2c(c1)C[N@H+](Cc1cccc3c1OCC3)CC2 ZINC001461977939 1182889408 /nfs/dbraw/zinc/88/94/08/1182889408.db2.gz VRNZZMJVKCUZPS-UHFFFAOYSA-N 1 1 310.353 3.088 20 5 DGBDMO O=[N+]([O-])c1c(N[C@@H]2CC[N@H+](C3CC3)C2)cccc1C(F)(F)F ZINC001472671011 1183663777 /nfs/dbraw/zinc/66/37/77/1183663777.db2.gz XSKJMORSFWNWLM-SECBINFHSA-N 1 1 315.295 3.262 20 5 DGBDMO CC[N@H+]1CCC[C@H](CNc2ncc([N+](=O)[O-])c3ccccc32)C1 ZINC001472673090 1183665460 /nfs/dbraw/zinc/66/54/60/1183665460.db2.gz AWDCZAVMULAREA-CYBMUJFWSA-N 1 1 314.389 3.287 20 5 DGBDMO Cc1ccc(C[N@H+](C)CCN(C)c2ccccc2)cc1[N+](=O)[O-] ZINC001473154397 1183722902 /nfs/dbraw/zinc/72/29/02/1183722902.db2.gz SINCIKPVAWYZIE-UHFFFAOYSA-N 1 1 313.401 3.471 20 5 DGBDMO COC[C@H](C[N@@H+](Cc1cccc([N+](=O)[O-])c1)C1CC1)C(C)C ZINC001473233339 1183733901 /nfs/dbraw/zinc/73/39/01/1183733901.db2.gz KOLQTMVDZYXMPB-HNNXBMFYSA-N 1 1 306.406 3.478 20 5 DGBDMO Cc1cc(C[NH2+]Cc2ccc(-c3ccc([N+](=O)[O-])cc3)o2)[nH]n1 ZINC001474019344 1183851366 /nfs/dbraw/zinc/85/13/66/1183851366.db2.gz WUKFRWSCLYZUFA-UHFFFAOYSA-N 1 1 312.329 3.176 20 5 DGBDMO C[C@H]([NH2+]Cc1cccc2[nH]c(=O)oc21)c1ccccc1[N+](=O)[O-] ZINC001474256801 1183890423 /nfs/dbraw/zinc/89/04/23/1183890423.db2.gz WKTBTIZVAIZPSA-JTQLQIEISA-N 1 1 313.313 3.292 20 5 DGBDMO Cc1ccc([N+](=O)[O-])c(C)c1C[N@@H+]1CC[C@H](OCC(C)C)C1 ZINC001474354760 1183908447 /nfs/dbraw/zinc/90/84/47/1183908447.db2.gz VTHGOVJKQHDOKI-HNNXBMFYSA-N 1 1 306.406 3.459 20 5 DGBDMO O=[N+]([O-])c1cc(Cl)ccc1C[NH2+]Cc1ccc2nonc2c1 ZINC001474742425 1183971358 /nfs/dbraw/zinc/97/13/58/1183971358.db2.gz PIBBLJSAZHDTMT-UHFFFAOYSA-N 1 1 318.720 3.074 20 5 DGBDMO Cc1ccc([C@H](C)OC(=O)[C@@H]2CCC[N@H+]2C(C)C)cc1[N+](=O)[O-] ZINC001533850859 1187855991 /nfs/dbraw/zinc/85/59/91/1187855991.db2.gz VAHVWXPFMARHHW-ZFWWWQNUSA-N 1 1 320.389 3.380 20 5 DGBDMO Cc1ccc([C@H](C)OC(=O)[C@@H]2CCC[N@@H+]2C(C)C)cc1[N+](=O)[O-] ZINC001533850859 1187855996 /nfs/dbraw/zinc/85/59/96/1187855996.db2.gz VAHVWXPFMARHHW-ZFWWWQNUSA-N 1 1 320.389 3.380 20 5 DGBDMO Cc1ccc([N+](=O)[O-])c(C)c1COC(=O)[C@@H]1CCC[N@H+]1C(C)C ZINC001535403465 1187957938 /nfs/dbraw/zinc/95/79/38/1187957938.db2.gz PSPBWKJIOMXATR-INIZCTEOSA-N 1 1 320.389 3.128 20 5 DGBDMO Cc1ccc([N+](=O)[O-])c(C)c1COC(=O)[C@@H]1CCC[N@@H+]1C(C)C ZINC001535403465 1187957939 /nfs/dbraw/zinc/95/79/39/1187957939.db2.gz PSPBWKJIOMXATR-INIZCTEOSA-N 1 1 320.389 3.128 20 5 DGBDMO C[N@@H+](CCC(=O)Nc1ccc([N+](=O)[O-])cc1)[C@H]1CCC(C)(C)C1 ZINC001617687886 1193577885 /nfs/dbraw/zinc/57/78/85/1193577885.db2.gz VNHCGRJSOWMLQE-HNNXBMFYSA-N 1 1 319.405 3.434 20 5 DGBDMO CCC[N@H+]1CCC[C@H]1CNc1nccc2c1cccc2[N+](=O)[O-] ZINC001559185146 1189178762 /nfs/dbraw/zinc/17/87/62/1189178762.db2.gz HSMPMKIQNGWWMD-ZDUSSCGKSA-N 1 1 314.389 3.429 20 5 DGBDMO COC[C@H](C[N@@H+](Cc1ccc([N+](=O)[O-])cc1)C1CC1)C(C)C ZINC001559713486 1189233854 /nfs/dbraw/zinc/23/38/54/1189233854.db2.gz QTZSEGZGVJPFNA-HNNXBMFYSA-N 1 1 306.406 3.478 20 5 DGBDMO C[N@@H+](CCOCC1CCCC1)CCc1cccc([N+](=O)[O-])c1 ZINC001559782168 1189241551 /nfs/dbraw/zinc/24/15/51/1189241551.db2.gz GRFJPRSZWCVPEH-UHFFFAOYSA-N 1 1 306.406 3.276 20 5 DGBDMO O=[N+]([O-])c1ccc(F)cc1C[N@@H+]1CCCC[C@@H]1[C@H]1CCCO1 ZINC001560223505 1189294073 /nfs/dbraw/zinc/29/40/73/1189294073.db2.gz ANMFXVKVXBIIRC-HZPDHXFCSA-N 1 1 308.353 3.267 20 5 DGBDMO O=[N+]([O-])c1ccc(F)cc1C[N@H+]1CCCC[C@@H]1[C@H]1CCCO1 ZINC001560223505 1189294076 /nfs/dbraw/zinc/29/40/76/1189294076.db2.gz ANMFXVKVXBIIRC-HZPDHXFCSA-N 1 1 308.353 3.267 20 5 DGBDMO Cc1c(C[NH2+]C[C@@H](C(C)C)N2CCCC2)cccc1[N+](=O)[O-] ZINC001560260744 1189301094 /nfs/dbraw/zinc/30/10/94/1189301094.db2.gz UEALZUOZTKOPAX-KRWDZBQOSA-N 1 1 305.422 3.113 20 5 DGBDMO CO[C@](C)(C[N@@H+](Cc1ccc([N+](=O)[O-])cc1)C1CC1)C1CC1 ZINC001560639350 1189354523 /nfs/dbraw/zinc/35/45/23/1189354523.db2.gz UUIPVEGSDFRLFD-QGZVFWFLSA-N 1 1 304.390 3.374 20 5 DGBDMO COc1nc(C[NH2+][C@H](C)c2ccc([N+](=O)[O-])cc2)ccc1C ZINC001561004537 1189419541 /nfs/dbraw/zinc/41/95/41/1189419541.db2.gz ONPOTFHBJDXEFY-GFCCVEGCSA-N 1 1 301.346 3.158 20 5 DGBDMO Cn1cc(C[N@H+]2CC[C@H](CC(C)(C)C)C2(C)C)c([N+](=O)[O-])n1 ZINC001618478932 1193740194 /nfs/dbraw/zinc/74/01/94/1193740194.db2.gz XNLYLCOXRNTVJQ-CYBMUJFWSA-N 1 1 308.426 3.365 20 5 DGBDMO CCC[C@H]1CCC[N@H+]1Cc1nc(-c2ccc([N+](=O)[O-])cc2)no1 ZINC001620643586 1193786027 /nfs/dbraw/zinc/78/60/27/1193786027.db2.gz KGYJDPRPMNZUMR-ZDUSSCGKSA-N 1 1 316.361 3.409 20 5 DGBDMO O=[N+]([O-])c1ccc2c(c1)C[N@H+](Cc1cccc3n[nH]cc31)CC2 ZINC001621188633 1193814201 /nfs/dbraw/zinc/81/42/01/1193814201.db2.gz NUJGTLLCTOGAJT-UHFFFAOYSA-N 1 1 308.341 3.029 20 5 DGBDMO CC[N@H+]1CCN(c2cc(C(F)(F)F)ccc2[N+](=O)[O-])C[C@H]1C ZINC001639655673 1194775529 /nfs/dbraw/zinc/77/55/29/1194775529.db2.gz MWICXMSSJQSOEU-SNVBAGLBSA-N 1 1 317.311 3.144 20 5 DGBDMO CCC[N@H+]1CCC[C@H]1CNc1nc2ccccc2cc1[N+](=O)[O-] ZINC001639882727 1194786488 /nfs/dbraw/zinc/78/64/88/1194786488.db2.gz KZUVFUQTPHPMHU-AWEZNQCLSA-N 1 1 314.389 3.429 20 5 DGBDMO CC[N@@H+]1[C@H](C)CN(c2ccc3ncccc3c2[N+](=O)[O-])C[C@@H]1C ZINC001640330664 1194807274 /nfs/dbraw/zinc/80/72/74/1194807274.db2.gz YPRJXRLOOSPGAW-BETUJISGSA-N 1 1 314.389 3.062 20 5 DGBDMO C[N@H+]1CCCC[C@@H]1CNc1nc2ccc([N+](=O)[O-])cc2s1 ZINC001640499862 1194817097 /nfs/dbraw/zinc/81/70/97/1194817097.db2.gz TZXPZXKKDJYKAC-LLVKDONJSA-N 1 1 306.391 3.101 20 5 DGBDMO Cn1cc(C[NH2+]C(c2ccccc2)c2ccccc2)c([N+](=O)[O-])n1 ZINC001642038515 1194885202 /nfs/dbraw/zinc/88/52/02/1194885202.db2.gz ZZDMRTVSXSLEHU-UHFFFAOYSA-N 1 1 322.368 3.208 20 5 DGBDMO C[C@H](CNc1nc2cc([N+](=O)[O-])ccc2[nH]1)[N@H+]1CCCC[C@H]1C ZINC001642072602 1194886535 /nfs/dbraw/zinc/88/65/35/1194886535.db2.gz JQXOLDCHKUWGIG-VXGBXAGGSA-N 1 1 317.393 3.146 20 5 DGBDMO C[N@H+]1CCC[C@H](CNc2cccc(C(F)(F)F)c2[N+](=O)[O-])C1 ZINC001642247621 1194895471 /nfs/dbraw/zinc/89/54/71/1194895471.db2.gz FPNPQRVAYYNGAF-SNVBAGLBSA-N 1 1 317.311 3.367 20 5 DGBDMO C[C@@H]1CN(c2ccccc2[N+](=O)[O-])CC[N@H+]1Cc1ccccc1 ZINC001642792853 1194939574 /nfs/dbraw/zinc/93/95/74/1194939574.db2.gz BAHCQHOKNRRVMV-OAHLLOKOSA-N 1 1 311.385 3.306 20 5 DGBDMO C[N@@H+](Cc1cc([N+](=O)[O-])ccc1Cl)[C@@H](CO)CC(C)(C)C ZINC001643106672 1194992954 /nfs/dbraw/zinc/99/29/54/1194992954.db2.gz GYZUNBWREIWKLS-CYBMUJFWSA-N 1 1 314.813 3.477 20 5 DGBDMO CC(C)C[C@@H]1C[N@H+](C)CCN1c1c(F)cc([N+](=O)[O-])cc1F ZINC001643223622 1195005557 /nfs/dbraw/zinc/00/55/57/1195005557.db2.gz YVRINYVLKAUQBW-GFCCVEGCSA-N 1 1 313.348 3.040 20 5 DGBDMO CC(C)C[C@@H]1C[N@@H+](C)CCN1c1c(F)cc([N+](=O)[O-])cc1F ZINC001643223622 1195005561 /nfs/dbraw/zinc/00/55/61/1195005561.db2.gz YVRINYVLKAUQBW-GFCCVEGCSA-N 1 1 313.348 3.040 20 5 DGBDMO CCC[N@@H+](C)CC(C)(C)NCc1cc([N+](=O)[O-])ccc1Cl ZINC001643932117 1195064911 /nfs/dbraw/zinc/06/49/11/1195064911.db2.gz FFLAVYQIGORPHH-UHFFFAOYSA-N 1 1 313.829 3.458 20 5 DGBDMO O=[N+]([O-])c1ccccc1C[NH2+][C@H](Cn1ccnc1)c1ccccc1 ZINC001644291436 1195096397 /nfs/dbraw/zinc/09/63/97/1195096397.db2.gz GVGQBHRXUUKNIG-QGZVFWFLSA-N 1 1 322.368 3.322 20 5 DGBDMO CCCCO[C@H]1C[C@H]([N@H+](C)Cc2cccnc2[N+](=O)[O-])C1(C)C ZINC001644890581 1195140307 /nfs/dbraw/zinc/14/03/07/1195140307.db2.gz JLBQEORXQREVRF-GJZGRUSLSA-N 1 1 321.421 3.405 20 5 DGBDMO CCCCO[C@H]1C[C@H]([N@@H+](C)Cc2cccnc2[N+](=O)[O-])C1(C)C ZINC001644890581 1195140310 /nfs/dbraw/zinc/14/03/10/1195140310.db2.gz JLBQEORXQREVRF-GJZGRUSLSA-N 1 1 321.421 3.405 20 5 DGBDMO O=[N+]([O-])c1ccc(C[N@@H+]2CC[C@H](O)[C@H]3CCCC[C@H]32)c(Cl)c1 ZINC001648114090 1195277452 /nfs/dbraw/zinc/27/74/52/1195277452.db2.gz LXHZVKOKZJJNIJ-IMJJTQAJSA-N 1 1 324.808 3.374 20 5 DGBDMO O=[N+]([O-])c1ccc(Cl)cc1C[N@H+]1CCCC[C@]12CCOC2 ZINC001648641639 1195317037 /nfs/dbraw/zinc/31/70/37/1195317037.db2.gz GUOTVVCABIHQHY-OAHLLOKOSA-N 1 1 310.781 3.393 20 5 DGBDMO O=[N+]([O-])c1ccc(Cl)cc1C[N@@H+]1CCCC[C@]12CCOC2 ZINC001648641639 1195317034 /nfs/dbraw/zinc/31/70/34/1195317034.db2.gz GUOTVVCABIHQHY-OAHLLOKOSA-N 1 1 310.781 3.393 20 5 DGBDMO CCCC[N@H+]1CCCC[C@@H]1CNc1ncc([N+](=O)[O-])cc1F ZINC001650697793 1195372639 /nfs/dbraw/zinc/37/26/39/1195372639.db2.gz YIXZZSLGBVMJBK-GFCCVEGCSA-N 1 1 310.373 3.195 20 5 DGBDMO O=[N+]([O-])c1sccc1Nc1cccc(C[NH+]2CCOCC2)c1 ZINC001650703394 1195372967 /nfs/dbraw/zinc/37/29/67/1195372967.db2.gz URPHDEMNLPALEQ-UHFFFAOYSA-N 1 1 319.386 3.232 20 5 DGBDMO O=[N+]([O-])c1cc(Cl)cnc1N[C@@H]1CC[N@H+](C2CCCCC2)C1 ZINC001651258990 1195434889 /nfs/dbraw/zinc/43/48/89/1195434889.db2.gz UUXZCZDDXDPNQZ-GFCCVEGCSA-N 1 1 324.812 3.462 20 5 DGBDMO CC[N@@H+]1[C@H](C)CN(c2nccc3c2cccc3[N+](=O)[O-])C[C@@H]1C ZINC001651366720 1195449837 /nfs/dbraw/zinc/44/98/37/1195449837.db2.gz QLBSXSUEODLURC-BETUJISGSA-N 1 1 314.389 3.062 20 5 DGBDMO CCc1[nH+]ccn1CCNc1ccc2cnccc2c1[N+](=O)[O-] ZINC001651415560 1195458348 /nfs/dbraw/zinc/45/83/48/1195458348.db2.gz BHASGLMFIKBIGT-UHFFFAOYSA-N 1 1 311.345 3.014 20 5 DGBDMO CC(C)c1ncc(CNC(=O)c2c(Cl)cccc2[N+](=O)[O-])[nH]1 ZINC001652743803 1195644392 /nfs/dbraw/zinc/64/43/92/1195644392.db2.gz WZMYEPUFRQFMGU-UHFFFAOYSA-N 1 1 322.752 3.025 20 5 DGBDMO CO[C@@]1(C)C[C@@H]([N@@H+](C)CCOc2ccc([N+](=O)[O-])cc2)C1(C)C ZINC001653446318 1195723357 /nfs/dbraw/zinc/72/33/57/1195723357.db2.gz YORDVECJWGJTRD-WBVHZDCISA-N 1 1 322.405 3.109 20 5 DGBDMO CC[C@@]1(C)CCC[N@H+]([C@@H](C)C(=O)Nc2cccc([N+](=O)[O-])c2)C1 ZINC001653448685 1195723422 /nfs/dbraw/zinc/72/34/22/1195723422.db2.gz DRDJAWQQGQAVEO-GUYCJALGSA-N 1 1 319.405 3.434 20 5 DGBDMO CO[C@]1(C)C[C@@H]([N@@H+](C)CCc2ccc([N+](=O)[O-])cc2)C1(C)C ZINC001653449931 1195723697 /nfs/dbraw/zinc/72/36/97/1195723697.db2.gz PBRVJOCFECUASF-NVXWUHKLSA-N 1 1 306.406 3.273 20 5 DGBDMO CC(C)(C)C[C@@H]1CC[N@@H+](CC(=O)Nc2ccccc2[N+](=O)[O-])C1 ZINC001653915556 1195759872 /nfs/dbraw/zinc/75/98/72/1195759872.db2.gz LGYOGMLYSUTHNK-ZDUSSCGKSA-N 1 1 319.405 3.291 20 5 DGBDMO O=[N+]([O-])c1ccc(OCCC[N@H+]2CC[C@H]3CSC[C@@H]3C2)cc1 ZINC001654541781 1195814420 /nfs/dbraw/zinc/81/44/20/1195814420.db2.gz YAYXHOALESPSDE-KBPBESRZSA-N 1 1 322.430 3.049 20 5 DGBDMO Cc1c(CN2CC[N@H+](C)[C@@H](C(C)(C)C)C2)cccc1[N+](=O)[O-] ZINC001654906923 1195853061 /nfs/dbraw/zinc/85/30/61/1195853061.db2.gz DIADUZYIYZBFGH-MRXNPFEDSA-N 1 1 305.422 3.065 20 5 DGBDMO Cc1c(C[N@H+]2CCN(C)[C@@H](C(C)(C)C)C2)cccc1[N+](=O)[O-] ZINC001654906923 1195853064 /nfs/dbraw/zinc/85/30/64/1195853064.db2.gz DIADUZYIYZBFGH-MRXNPFEDSA-N 1 1 305.422 3.065 20 5 DGBDMO Cc1c(C[N@@H+]2CCN(C)[C@@H](C(C)(C)C)C2)cccc1[N+](=O)[O-] ZINC001654906923 1195853067 /nfs/dbraw/zinc/85/30/67/1195853067.db2.gz DIADUZYIYZBFGH-MRXNPFEDSA-N 1 1 305.422 3.065 20 5 DGBDMO O=[N+]([O-])c1ccc(F)cc1C[N@@H+]1CCCC[C@@]12CCCOC2 ZINC001655142207 1195882014 /nfs/dbraw/zinc/88/20/14/1195882014.db2.gz SGEMLFGYJFCNHQ-INIZCTEOSA-N 1 1 308.353 3.269 20 5 DGBDMO O=[N+]([O-])c1ccc(F)cc1C[N@H+]1CCCC[C@@]12CCCOC2 ZINC001655142207 1195882017 /nfs/dbraw/zinc/88/20/17/1195882017.db2.gz SGEMLFGYJFCNHQ-INIZCTEOSA-N 1 1 308.353 3.269 20 5 DGBDMO C[C@@H]([NH2+]Cc1csc([N+](=O)[O-])c1)c1ccc2[nH]c(=O)oc2c1 ZINC001655220313 1195891994 /nfs/dbraw/zinc/89/19/94/1195891994.db2.gz GAPGYKWGKLSKKI-MRVPVSSYSA-N 1 1 319.342 3.354 20 5 DGBDMO Cc1c(CN[C@H](C)C[N@@H+]2C[C@H](C)C[C@H](C)C2)cccc1[N+](=O)[O-] ZINC001655404293 1195913150 /nfs/dbraw/zinc/91/31/50/1195913150.db2.gz UXNYBEAGGWBIPM-QLFBSQMISA-N 1 1 319.449 3.359 20 5 DGBDMO Cc1c(C[NH2+][C@H](C)CN2C[C@H](C)C[C@H](C)C2)cccc1[N+](=O)[O-] ZINC001655404293 1195913154 /nfs/dbraw/zinc/91/31/54/1195913154.db2.gz UXNYBEAGGWBIPM-QLFBSQMISA-N 1 1 319.449 3.359 20 5 DGBDMO Cc1c(C[N@H+]2CCCC[C@]23CCCOC3)cccc1[N+](=O)[O-] ZINC001655922782 1195977570 /nfs/dbraw/zinc/97/75/70/1195977570.db2.gz UYLHEWJFEVFBPG-QGZVFWFLSA-N 1 1 304.390 3.438 20 5 DGBDMO CCC[N@H+]1CCCC[C@@H]1C(=O)Nc1ccc(C)c([N+](=O)[O-])c1 ZINC000072035428 1196027234 /nfs/dbraw/zinc/02/72/34/1196027234.db2.gz MTIZQZXAILLJKU-CQSZACIVSA-N 1 1 305.378 3.106 20 5 DGBDMO C[C@]12C[N@@H+](CCOc3cccc([N+](=O)[O-])c3)C[C@H]1[C@H]1C=C[C@@H]2C1 ZINC001656303366 1196028312 /nfs/dbraw/zinc/02/83/12/1196028312.db2.gz PQXNBUMOBPGCPI-IHETXDGRSA-N 1 1 314.385 3.118 20 5 DGBDMO O=[N+]([O-])c1ccc(CC[N@H+]2CCCC[C@@H]2[C@@H]2CCCO2)cc1 ZINC001656506026 1196045089 /nfs/dbraw/zinc/04/50/89/1196045089.db2.gz GGYXDVXLDNHSIA-SJORKVTESA-N 1 1 304.390 3.171 20 5 DGBDMO CCC[N@@H+](CC)C[C@H](C)NCc1c(C)ccc([N+](=O)[O-])c1C ZINC001657473945 1196146931 /nfs/dbraw/zinc/14/69/31/1196146931.db2.gz TVAWBPKCYGJADT-AWEZNQCLSA-N 1 1 307.438 3.422 20 5 DGBDMO CCCN(CC)C[C@H](C)[NH2+]Cc1c(C)ccc([N+](=O)[O-])c1C ZINC001657473945 1196146938 /nfs/dbraw/zinc/14/69/38/1196146938.db2.gz TVAWBPKCYGJADT-AWEZNQCLSA-N 1 1 307.438 3.422 20 5 DGBDMO Cc1nocc1C[NH2+]Cc1ccc(-c2ccc([N+](=O)[O-])cc2)o1 ZINC001657781506 1196178136 /nfs/dbraw/zinc/17/81/36/1196178136.db2.gz VLNFSQAPCUAGAN-UHFFFAOYSA-N 1 1 313.313 3.441 20 5 DGBDMO C[C@@H](C[NH2+]Cc1n[nH]c2ccccc21)c1ccccc1[N+](=O)[O-] ZINC001658075962 1196209479 /nfs/dbraw/zinc/20/94/79/1196209479.db2.gz KGCGGDUYLJZCCW-LBPRGKRZSA-N 1 1 310.357 3.364 20 5 DGBDMO C/C(=C\c1cccc([N+](=O)[O-])c1)C[N@H+]1C[C@@H](O)CC(C)(C)C1 ZINC001658730092 1196293041 /nfs/dbraw/zinc/29/30/41/1196293041.db2.gz ARSUTBSKPUBORM-UDYBNVKDSA-N 1 1 304.390 3.091 20 5 DGBDMO CCOC(OCC)[C@@H](C)[NH2+]Cc1ccc(Cl)cc1[N+](=O)[O-] ZINC001659143903 1196352550 /nfs/dbraw/zinc/35/25/50/1196352550.db2.gz MSJNQUGXTLWVSD-SNVBAGLBSA-N 1 1 316.785 3.125 20 5 DGBDMO Cc1ccc([N+](=O)[O-])c(C)c1C[N@H+]1CC[C@@H](C(C)(C)C)[C@@H](O)C1 ZINC001659266280 1196366180 /nfs/dbraw/zinc/36/61/80/1196366180.db2.gz VGIYIEYUEBTTOH-WBVHZDCISA-N 1 1 320.433 3.441 20 5 DGBDMO C[N@@H+](CCc1ccccc1[N+](=O)[O-])Cc1ccc2nccnc2c1 ZINC001664685689 1197034835 /nfs/dbraw/zinc/03/48/35/1197034835.db2.gz DLKGKGBDXBPGFO-UHFFFAOYSA-N 1 1 322.368 3.213 20 5 DGBDMO COc1ccc(C[N@H+](C)Cc2c(C)ccc([N+](=O)[O-])c2C)cn1 ZINC001665229125 1197111976 /nfs/dbraw/zinc/11/19/76/1197111976.db2.gz KIVZQFBEYLQGBH-UHFFFAOYSA-N 1 1 315.373 3.247 20 5 DGBDMO COc1ccc(C[N@@H+](C)Cc2c(C)ccc([N+](=O)[O-])c2C)cn1 ZINC001665229125 1197111979 /nfs/dbraw/zinc/11/19/79/1197111979.db2.gz KIVZQFBEYLQGBH-UHFFFAOYSA-N 1 1 315.373 3.247 20 5 DGBDMO C[N@@H+]1CCOC[C@H]1CNc1nc2ccccc2c2ccccc21 ZINC001169659396 1081621593 /nfs/dbraw/zinc/62/15/93/1081621593.db2.gz FCILCWSKZVWRMM-CQSZACIVSA-N 1 1 307.397 3.131 20 5 DGBDMO C[N@H+]1CCOC[C@H]1CNc1nc2ccccc2c2ccccc21 ZINC001169659396 1081621599 /nfs/dbraw/zinc/62/15/99/1081621599.db2.gz FCILCWSKZVWRMM-CQSZACIVSA-N 1 1 307.397 3.131 20 5 DGBDMO CCO[C@@H]1C[C@H]([N@@H+](C)Cc2ccc(F)cc2[N+](=O)[O-])C1(C)C ZINC001167473052 1082202889 /nfs/dbraw/zinc/20/28/89/1082202889.db2.gz FNKPFJLPGLXPEA-LSDHHAIUSA-N 1 1 310.369 3.369 20 5 DGBDMO C[N@@H+](CCc1ccccc1[N+](=O)[O-])C[C@@H]1CCC(C)(C)CO1 ZINC001170192629 1082310045 /nfs/dbraw/zinc/31/00/45/1082310045.db2.gz CBGFLBPXBSAFRC-HNNXBMFYSA-N 1 1 306.406 3.274 20 5 DGBDMO CC[C@H]1C[N@@H+](CC)CCN1Cc1ccc(Cl)cc1[N+](=O)[O-] ZINC001170272525 1082332947 /nfs/dbraw/zinc/33/29/47/1082332947.db2.gz INCFLUIJHVZNPR-AWEZNQCLSA-N 1 1 311.813 3.164 20 5 DGBDMO COc1ccc(C[C@H](C)[N@@H+](C)Cc2ccccn2)c([N+](=O)[O-])c1 ZINC001170329929 1082347676 /nfs/dbraw/zinc/34/76/76/1082347676.db2.gz WYEPPPJEYIBZMP-ZDUSSCGKSA-N 1 1 315.373 3.061 20 5 DGBDMO CCOc1cnc(NCCC[N@H+]2CCCC[C@@H]2C)c([N+](=O)[O-])c1 ZINC001167751157 1083623159 /nfs/dbraw/zinc/62/31/59/1083623159.db2.gz IJUHOMYBKUHWQR-ZDUSSCGKSA-N 1 1 322.409 3.065 20 5 DGBDMO COc1c(O)ccc(C[N@H+]2CCCC[C@H]2C2CCC2)c1[N+](=O)[O-] ZINC001182734263 1083791773 /nfs/dbraw/zinc/79/17/73/1083791773.db2.gz SQBIVMJEWZMIKP-AWEZNQCLSA-N 1 1 320.389 3.464 20 5 DGBDMO Cc1ccc([N+](=O)[O-])c(C)c1CN1CC[N@H+](C)C(C)(C)CC1 ZINC001183136515 1083884058 /nfs/dbraw/zinc/88/40/58/1083884058.db2.gz LXJLMRMEXCEYMR-UHFFFAOYSA-N 1 1 305.422 3.128 20 5 DGBDMO CC[N@@H+](c1ccc(Nc2ccncc2[N+](=O)[O-])cc1)C(C)C ZINC001184757893 1084253585 /nfs/dbraw/zinc/25/35/85/1084253585.db2.gz IQKQPXLWQFJQHY-UHFFFAOYSA-N 1 1 300.362 3.390 20 5 DGBDMO CC[N@H+](c1ccc(Nc2ccncc2[N+](=O)[O-])cc1)C(C)C ZINC001184757893 1084253593 /nfs/dbraw/zinc/25/35/93/1084253593.db2.gz IQKQPXLWQFJQHY-UHFFFAOYSA-N 1 1 300.362 3.390 20 5 DGBDMO CC[N@@H+](CCNc1cc(OC)c([N+](=O)[O-])cc1Cl)C(C)C ZINC001185203539 1084379310 /nfs/dbraw/zinc/37/93/10/1084379310.db2.gz IWHRVDIKUSPMJN-UHFFFAOYSA-N 1 1 315.801 3.399 20 5 DGBDMO CCCCCC[N@@H+](C)CC(=O)NCc1ccc(C)c([N+](=O)[O-])c1 ZINC001648977783 1087028021 /nfs/dbraw/zinc/02/80/21/1087028021.db2.gz NUVKLDPMGAALTR-UHFFFAOYSA-N 1 1 321.421 3.032 20 5 DGBDMO C[N@H+]1CCC[C@H](CCNc2ccc3ccc([N+](=O)[O-])cc3n2)C1 ZINC001156377956 1089495660 /nfs/dbraw/zinc/49/56/60/1089495660.db2.gz HXECYOCRJAXPAH-CYBMUJFWSA-N 1 1 314.389 3.287 20 5 DGBDMO CC(C)[N@@H+](C)[C@H]1CCN(c2ccc3ccc([N+](=O)[O-])cc3n2)C1 ZINC001157009834 1089784827 /nfs/dbraw/zinc/78/48/27/1089784827.db2.gz NGOWMYXZOAFOSL-HNNXBMFYSA-N 1 1 314.389 3.062 20 5 DGBDMO C[N@H+]1CCC[C@H]2CN(c3ccc4ccc5cccnc5c4n3)C[C@@H]21 ZINC001157264560 1089893914 /nfs/dbraw/zinc/89/39/14/1089893914.db2.gz FIGKAIBYOPJEQV-IRXDYDNUSA-N 1 1 318.424 3.313 20 5 DGBDMO C[N@H+]1CCCC(C)(C)[C@@H]1CNc1c([N+](=O)[O-])cccc1[N+](=O)[O-] ZINC001163232096 1090128377 /nfs/dbraw/zinc/12/83/77/1090128377.db2.gz OZLYDEUTJLLBJE-ZDUSSCGKSA-N 1 1 322.365 3.035 20 5 DGBDMO COc1c(O)ccc(C[N@@H+](CCC(C)C)C2CC2)c1[N+](=O)[O-] ZINC001204411199 1090963859 /nfs/dbraw/zinc/96/38/59/1090963859.db2.gz LZEREBIJNWPNEQ-UHFFFAOYSA-N 1 1 308.378 3.320 20 5 DGBDMO C[N@H+](Cc1c2ccccc2cc2ccccc21)C[C@@H]1CNCCO1 ZINC001205377587 1091206187 /nfs/dbraw/zinc/20/61/87/1091206187.db2.gz ZHAHDFUKHPZNDA-SFHVURJKSA-N 1 1 320.436 3.413 20 5 DGBDMO C[N@@H+](Cc1nc2ccccc2s1)[C@H]1CC[C@@H](C[N+](=O)[O-])C1 ZINC001169013394 1092487149 /nfs/dbraw/zinc/48/71/49/1092487149.db2.gz UUQGPIGGWINDJG-NEPJUHHUSA-N 1 1 305.403 3.174 20 5 DGBDMO O=C1C[NH2+]CC[C@@H](Oc2cccc3cc4ccccc4nc32)C1 ZINC001218193506 1094651384 /nfs/dbraw/zinc/65/13/84/1094651384.db2.gz POGRNKCLRLPFBL-MRXNPFEDSA-N 1 1 306.365 3.088 20 5 DGBDMO CCC[N@@H+]1CCCC[C@H]1C(=O)OCc1ccc([N+](=O)[O-])cc1F ZINC001116183778 1095477443 /nfs/dbraw/zinc/47/74/43/1095477443.db2.gz KGVIXLUKEAXGCW-HNNXBMFYSA-N 1 1 324.352 3.042 20 5 DGBDMO CCC[N@H+]1CCCC[C@H]1C(=O)OCc1ccc([N+](=O)[O-])cc1F ZINC001116183778 1095477452 /nfs/dbraw/zinc/47/74/52/1095477452.db2.gz KGVIXLUKEAXGCW-HNNXBMFYSA-N 1 1 324.352 3.042 20 5 DGBDMO COc1cc(C[N@H+](C)Cc2ccccc2[N+](=O)[O-])ccc1F ZINC001116436721 1095552124 /nfs/dbraw/zinc/55/21/24/1095552124.db2.gz FFNLNGUYRHSKAW-UHFFFAOYSA-N 1 1 304.321 3.375 20 5 DGBDMO COc1cc(C[N@@H+](C)Cc2ccccc2[N+](=O)[O-])ccc1F ZINC001116436721 1095552138 /nfs/dbraw/zinc/55/21/38/1095552138.db2.gz FFNLNGUYRHSKAW-UHFFFAOYSA-N 1 1 304.321 3.375 20 5 DGBDMO COC(=O)CC(C)(C)[N@@H+](C)Cc1ccc(C(C)C)c([N+](=O)[O-])c1 ZINC001116444694 1095556416 /nfs/dbraw/zinc/55/64/16/1095556416.db2.gz DDPMZRFGVVCWTG-UHFFFAOYSA-N 1 1 322.405 3.492 20 5 DGBDMO CC[N@H+](Cc1ccccc1F)C[C@@H](O)c1ccc([N+](=O)[O-])cc1 ZINC001116479242 1095570343 /nfs/dbraw/zinc/57/03/43/1095570343.db2.gz PCTWYYQTQOJLNY-QGZVFWFLSA-N 1 1 318.348 3.289 20 5 DGBDMO COc1cc([N+](=O)[O-])ccc1[C@H](C)[NH2+][C@H]1CCCC[C@@H]1N(C)C ZINC001118486544 1096021525 /nfs/dbraw/zinc/02/15/25/1096021525.db2.gz HBWOGNXDZTVDSH-RCBQFDQVSA-N 1 1 321.421 3.127 20 5 DGBDMO O=[N+]([O-])c1ccc2[nH+]ccc(N[C@H]3C[C@@H]4[C@H](C3)C4(F)F)c2c1 ZINC001118989674 1096117528 /nfs/dbraw/zinc/11/75/28/1096117528.db2.gz SNUOZYBSNXFQKD-ZSPDNNCOSA-N 1 1 305.284 3.021 20 5 DGBDMO COc1ccc(O[C@H]2C[C@H]3CC[C@@H](C2)[N@@H+]3C(C)C)c([N+](=O)[O-])c1 ZINC001225768864 1096524622 /nfs/dbraw/zinc/52/46/22/1096524622.db2.gz DYYDEODIPCTVKR-NHAGDIPZSA-N 1 1 320.389 3.386 20 5 DGBDMO C[N@H+]1CCC[C@@H](Oc2ccc(C(F)(F)F)cc2[N+](=O)[O-])CC1 ZINC001225956594 1096573807 /nfs/dbraw/zinc/57/38/07/1096573807.db2.gz NXOFMVSIPXWYBD-LLVKDONJSA-N 1 1 318.295 3.477 20 5 DGBDMO O=[N+]([O-])c1ccc(F)c(O[C@@H]2CC[N@@H+](Cc3ccccc3)C2)c1 ZINC001226266313 1096649098 /nfs/dbraw/zinc/64/90/98/1096649098.db2.gz RXEVXPOMRJZCLK-OAHLLOKOSA-N 1 1 316.332 3.387 20 5 DGBDMO Cc1ccc(N2CCC[C@@H](Oc3ccccc3[N+](=O)[O-])C2)[nH+]c1 ZINC001227484318 1096939521 /nfs/dbraw/zinc/93/95/21/1096939521.db2.gz MEIHYNGTYRNAAY-CQSZACIVSA-N 1 1 313.357 3.346 20 5 DGBDMO C[C@H](c1ccccc1[N+](=O)[O-])N1CC[N@@H+](C)[C@@H](C(C)(C)C)C1 ZINC001171653646 1096940334 /nfs/dbraw/zinc/94/03/34/1096940334.db2.gz LVFNRDYQATUXMD-CZUORRHYSA-N 1 1 305.422 3.318 20 5 DGBDMO C[C@H](c1ccccc1[N+](=O)[O-])[N@@H+]1CCN(C)[C@@H](C(C)(C)C)C1 ZINC001171653646 1096940337 /nfs/dbraw/zinc/94/03/37/1096940337.db2.gz LVFNRDYQATUXMD-CZUORRHYSA-N 1 1 305.422 3.318 20 5 DGBDMO C[N@@H+]1C[C@H]2CCC[C@@H](C1)[C@@H]2Oc1cc(Cl)cc([N+](=O)[O-])c1 ZINC001228256822 1097082935 /nfs/dbraw/zinc/08/29/35/1097082935.db2.gz BJHBPJYWAWDYQM-QHBPRCKVSA-N 1 1 310.781 3.357 20 5 DGBDMO Cc1cc2[nH]c(O[C@@H]3CCC[N@H+](C(C)C)C3)nc2cc1[N+](=O)[O-] ZINC001228673490 1097164242 /nfs/dbraw/zinc/16/42/42/1097164242.db2.gz GUQXVSKKPSCSSW-GFCCVEGCSA-N 1 1 318.377 3.031 20 5 DGBDMO c1cn2c([nH+]1)CC[C@@H](Oc1ccc3nc4ccccc4nc3c1)C2 ZINC001228740309 1097180718 /nfs/dbraw/zinc/18/07/18/1097180718.db2.gz JJCPDIQYDFGRIX-CQSZACIVSA-N 1 1 316.364 3.373 20 5 DGBDMO C[N@H+]1CCC[C@@H](Oc2c([N+](=O)[O-])cccc2C(F)(F)F)CC1 ZINC001228929980 1097218929 /nfs/dbraw/zinc/21/89/29/1097218929.db2.gz INFDYBYACPHQQP-SNVBAGLBSA-N 1 1 318.295 3.477 20 5 DGBDMO C[N@H+]1CCC[C@@H](Oc2nccc3ccc([N+](=O)[O-])cc32)CC1 ZINC001229005430 1097235128 /nfs/dbraw/zinc/23/51/28/1097235128.db2.gz IIMDOILITCKRAC-CQSZACIVSA-N 1 1 301.346 3.006 20 5 DGBDMO C[C@@H](Oc1ccc(C(=[NH2+])NO)c(F)c1)c1ccccc1[N+](=O)[O-] ZINC001229085267 1097252132 /nfs/dbraw/zinc/25/21/32/1097252132.db2.gz YFEYPQFLKLDVJF-SECBINFHSA-N 1 1 319.292 3.178 20 5 DGBDMO CCC(=O)c1cc([N+](=O)[O-])ccc1O[C@H]1CC[N@H+](C(C)C)C1 ZINC001229179433 1097271787 /nfs/dbraw/zinc/27/17/87/1097271787.db2.gz LKHHZJWFOMLXMS-ZDUSSCGKSA-N 1 1 306.362 3.049 20 5 DGBDMO C[C@H]1C[N@H+]([C@H]2CCc3ccc([N+](=O)[O-])cc3CC2)CCCC1=O ZINC001172909228 1097278138 /nfs/dbraw/zinc/27/81/38/1097278138.db2.gz RFOXMELJZQYRNT-BBRMVZONSA-N 1 1 316.401 3.143 20 5 DGBDMO CC[N@@H+](C1CCOCC1)[C@H]1CCc2ccc([N+](=O)[O-])cc2CC1 ZINC001172914791 1097279359 /nfs/dbraw/zinc/27/93/59/1097279359.db2.gz IVDRAFVBIPLJBU-INIZCTEOSA-N 1 1 318.417 3.343 20 5 DGBDMO CC(C)[C@@H]1COCC[N@H+]1[C@@H]1CCc2ccc([N+](=O)[O-])cc2CC1 ZINC001172920206 1097281168 /nfs/dbraw/zinc/28/11/68/1097281168.db2.gz IXICHHIQIDZXHI-AEFFLSMTSA-N 1 1 318.417 3.199 20 5 DGBDMO C[N@@H+](Cc1ccncc1)[C@@H]1CCc2ccc([N+](=O)[O-])cc2CC1 ZINC001172909704 1097291250 /nfs/dbraw/zinc/29/12/50/1097291250.db2.gz UZUJZZQAVPIGSG-QGZVFWFLSA-N 1 1 311.385 3.369 20 5 DGBDMO O=[N+]([O-])c1ccc2c(c1)CC[C@@H]([N@H+]1Cc3cccnc3C1)CC2 ZINC001172909435 1097291294 /nfs/dbraw/zinc/29/12/94/1097291294.db2.gz RTSMAUQDCICRRB-INIZCTEOSA-N 1 1 309.369 3.253 20 5 DGBDMO CC(C)[C@H]1COCC[N@H+]1[C@H]1CCc2ccc([N+](=O)[O-])cc2CC1 ZINC001172912147 1097292415 /nfs/dbraw/zinc/29/24/15/1097292415.db2.gz IXICHHIQIDZXHI-FUHWJXTLSA-N 1 1 318.417 3.199 20 5 DGBDMO C[N@@H+]1[C@@H]2CC[C@H]1C[C@H](Oc1cc([N+](=O)[O-])cc3cccnc31)C2 ZINC001229342502 1097301288 /nfs/dbraw/zinc/30/12/88/1097301288.db2.gz ALTNAYHKLTUCQT-AGGWBTHJSA-N 1 1 313.357 3.147 20 5 DGBDMO CC(C)[N@H+]1CCC[C@@H](Oc2cc([N+](=O)[O-])cc3cccnc32)C1 ZINC001229344204 1097301509 /nfs/dbraw/zinc/30/15/09/1097301509.db2.gz SECHCEAYVOPOTN-OAHLLOKOSA-N 1 1 315.373 3.395 20 5 DGBDMO C[C@H](Cc1ccc([N+](=O)[O-])cc1)[N@H+]1CC[C@H](c2ccccn2)C1 ZINC001173225143 1097374047 /nfs/dbraw/zinc/37/40/47/1097374047.db2.gz BNFOUQWFDCBPKE-ZBFHGGJFSA-N 1 1 311.385 3.410 20 5 DGBDMO COC[C@@]12CCC[C@@H]1C[N@H+]([C@H](C)Cc1ccc([N+](=O)[O-])cc1)C2 ZINC001173226455 1097374844 /nfs/dbraw/zinc/37/48/44/1097374844.db2.gz QOVQMRGELXEPJC-KYJSFNMBSA-N 1 1 318.417 3.274 20 5 DGBDMO CC(C)N1CC[C@@H]([NH2+][C@H](C)Cc2ccc([N+](=O)[O-])cc2)[C@@H](C)C1 ZINC001173228911 1097375825 /nfs/dbraw/zinc/37/58/25/1097375825.db2.gz NNCFITSFAZLLBD-HDMKZQKVSA-N 1 1 319.449 3.234 20 5 DGBDMO C[C@H](Cc1ccc([N+](=O)[O-])cc1)[N@@H+](CCO)Cc1cccs1 ZINC001173227916 1097375921 /nfs/dbraw/zinc/37/59/21/1097375921.db2.gz SMMQWUPZAQXMBE-CYBMUJFWSA-N 1 1 320.414 3.082 20 5 DGBDMO Cc1nc2c(s1)C[N@@H+]([C@@H](C)Cc1ccc([N+](=O)[O-])cc1)CC2 ZINC001173227245 1097376439 /nfs/dbraw/zinc/37/64/39/1097376439.db2.gz OWFUJCOQNFXSNK-NSHDSACASA-N 1 1 317.414 3.349 20 5 DGBDMO CC(C)N1CC[C@@H]([NH2+][C@H](C)Cc2ccc([N+](=O)[O-])cc2)[C@H](C)C1 ZINC001173228912 1097376621 /nfs/dbraw/zinc/37/66/21/1097376621.db2.gz NNCFITSFAZLLBD-IIDMSEBBSA-N 1 1 319.449 3.234 20 5 DGBDMO CC(C)[NH+](CCN[C@@H](C)Cc1ccc([N+](=O)[O-])cc1)C(C)C ZINC001173212273 1097381194 /nfs/dbraw/zinc/38/11/94/1097381194.db2.gz YUCDGZKTPQIZCJ-HNNXBMFYSA-N 1 1 307.438 3.234 20 5 DGBDMO CC(C)[N@H+]1CC[C@@H](Oc2cnc3c(cccc3[N+](=O)[O-])c2)C1 ZINC001231156044 1097684082 /nfs/dbraw/zinc/68/40/82/1097684082.db2.gz GRZVERRHRWUGSC-CYBMUJFWSA-N 1 1 301.346 3.005 20 5 DGBDMO COC[C@H]1CC[N@@H+](Cc2ccc3ccc4cccnc4c3n2)C1 ZINC001232218273 1097970261 /nfs/dbraw/zinc/97/02/61/1097970261.db2.gz FJDHMONRGATFQT-AWEZNQCLSA-N 1 1 307.397 3.251 20 5 DGBDMO C[C@H]1C[C@@H](O)CC[N@H+]1Cc1ccc2ccc3cccnc3c2n1 ZINC001232223675 1097972940 /nfs/dbraw/zinc/97/29/40/1097972940.db2.gz RZXGTPGUTZQZEK-GUYCJALGSA-N 1 1 307.397 3.128 20 5 DGBDMO OCC[C@H]1CCC[N@@H+](Cc2ccc3ccc4cccnc4c3n2)C1 ZINC001232221880 1097973233 /nfs/dbraw/zinc/97/32/33/1097973233.db2.gz FYQZQAOJUJEWBG-OAHLLOKOSA-N 1 1 321.424 3.377 20 5 DGBDMO c1cnc2c(c1)ccc1ccc(CN3CC[N@H+]4CCC[C@H]4C3)nc12 ZINC001232221654 1097973534 /nfs/dbraw/zinc/97/35/34/1097973534.db2.gz JKLBKYZOSIQMKO-SFHVURJKSA-N 1 1 318.424 3.063 20 5 DGBDMO CC(C)[N@@H+](CCCO)Cc1ccc2ccc3cccnc3c2n1 ZINC001232222835 1097973601 /nfs/dbraw/zinc/97/36/01/1097973601.db2.gz ZXVJQEOVBSJHHS-UHFFFAOYSA-N 1 1 309.413 3.376 20 5 DGBDMO CCCC[N@@H+](CCO)Cc1ccc(C(F)(F)F)cc1[N+](=O)[O-] ZINC001180438021 1099406342 /nfs/dbraw/zinc/40/63/42/1099406342.db2.gz UHFVHOCICSCWQC-UHFFFAOYSA-N 1 1 320.311 3.208 20 5 DGBDMO Cc1cc(N2CC[N@@H+](C3CCCC3)[C@@H](C)C2)c([N+](=O)[O-])s1 ZINC001187625442 1099561836 /nfs/dbraw/zinc/56/18/36/1099561836.db2.gz VXZRDJUFEMFZHS-NSHDSACASA-N 1 1 309.435 3.418 20 5 DGBDMO CC(C)C[C@H]1C[N@@H+](C)CCN1c1ccc(Cl)cc1[N+](=O)[O-] ZINC001187708965 1099581219 /nfs/dbraw/zinc/58/12/19/1099581219.db2.gz OLNVHSDVNGLVRH-ZDUSSCGKSA-N 1 1 311.813 3.415 20 5 DGBDMO CC[C@H]1CC[N@@H+](CCC(=O)Nc2cc([N+](=O)[O-])ccc2C)[C@@H]1C ZINC001193607021 1100783063 /nfs/dbraw/zinc/78/30/63/1100783063.db2.gz RWUGGEZWVYBNHT-KGLIPLIRSA-N 1 1 319.405 3.352 20 5 DGBDMO O=[N+]([O-])c1ccc(OCCC[N@H+]2CCC[C@@H](C3CC3)C2)cc1 ZINC001194817666 1101016004 /nfs/dbraw/zinc/01/60/04/1101016004.db2.gz REBQPVQFOCDUMH-OAHLLOKOSA-N 1 1 304.390 3.486 20 5 DGBDMO C[C@@H]([NH2+]CCN1C[C@@H](C)C[C@H](C)C1)c1ccc([N+](=O)[O-])cc1 ZINC001197646333 1101623445 /nfs/dbraw/zinc/62/34/45/1101623445.db2.gz DWZZDNWGEQUUIN-SOUVJXGZSA-N 1 1 305.422 3.223 20 5 DGBDMO C[C@H]1CN(Cc2cc(F)ccc2[N+](=O)[O-])CC[N@H+]1C1CCCC1 ZINC001197799413 1101668248 /nfs/dbraw/zinc/66/82/48/1101668248.db2.gz WTFTVJWXGCVLTF-ZDUSSCGKSA-N 1 1 321.396 3.183 20 5 DGBDMO CCOc1cc(C[N@H+]2C[C@H]3CSC[C@@]3(C)C2)ccc1[N+](=O)[O-] ZINC001198468509 1101868254 /nfs/dbraw/zinc/86/82/54/1101868254.db2.gz XZBRYGJXTIKADF-XJKSGUPXSA-N 1 1 322.430 3.178 20 5 DGBDMO O=[N+]([O-])c1ccccc1OCC[N@H+]1CCCC[C@H]1[C@@H]1CCCO1 ZINC001198685183 1101957552 /nfs/dbraw/zinc/95/75/52/1101957552.db2.gz HXKIBZCVUNVVGS-HOCLYGCPSA-N 1 1 320.389 3.007 20 5 DGBDMO Cc1cc([N+](=O)[O-])c(C)cc1-c1noc([C@H](C)[NH2+]C2CC2)n1 ZINC001327004894 1103497826 /nfs/dbraw/zinc/49/78/26/1103497826.db2.gz MLPFJNWBKBUJLX-JTQLQIEISA-N 1 1 302.334 3.075 20 5 DGBDMO Cc1[nH+]ccn1CCCSCCOc1cccc([N+](=O)[O-])c1 ZINC001328727326 1104042582 /nfs/dbraw/zinc/04/25/82/1104042582.db2.gz AWTUHBNLAQYVKF-UHFFFAOYSA-N 1 1 321.402 3.302 20 5 DGBDMO NC1(C[NH2+][C@H]2CCc3ccc([N+](=O)[O-])cc3CC2)CCCCC1 ZINC001246279627 1104472546 /nfs/dbraw/zinc/47/25/46/1104472546.db2.gz NYRUVVQXKSGADJ-INIZCTEOSA-N 1 1 317.433 3.093 20 5 DGBDMO Cc1ccc(-c2noc([C@H]([NH3+])Cc3cccc([N+](=O)[O-])c3)n2)cc1 ZINC001248208069 1105068977 /nfs/dbraw/zinc/06/89/77/1105068977.db2.gz GSCWTXRXSODTJI-OAHLLOKOSA-N 1 1 324.340 3.196 20 5 DGBDMO C[C@@H]1CCCC[N@H+]1C1CCN(c2ccc([N+](=O)[O-])cc2)CC1 ZINC001254475693 1106078368 /nfs/dbraw/zinc/07/83/68/1106078368.db2.gz GXMHAXSYXOOGSQ-CQSZACIVSA-N 1 1 303.406 3.438 20 5 DGBDMO C[C@@H](Cc1ccccc1[N+](=O)[O-])[N@H+]1CCC[C@@](C)(CO)CC1 ZINC001254553746 1106102334 /nfs/dbraw/zinc/10/23/34/1106102334.db2.gz YISFSOLXPMRKKV-WMLDXEAASA-N 1 1 306.406 3.010 20 5 DGBDMO O=[N+]([O-])c1ccc2c(c1)C[C@@H]([N@@H+]1CCCC(F)(F)[C@H](F)C1)C2 ZINC001254593371 1106109988 /nfs/dbraw/zinc/10/99/88/1106109988.db2.gz LQAOEBVHNVEPDC-UONOGXRCSA-N 1 1 314.307 3.131 20 5 DGBDMO O=[N+]([O-])c1ccc2c(c1)C[C@@H]([N@H+]1CCCC(F)(F)[C@H](F)C1)C2 ZINC001254593371 1106109991 /nfs/dbraw/zinc/10/99/91/1106109991.db2.gz LQAOEBVHNVEPDC-UONOGXRCSA-N 1 1 314.307 3.131 20 5 DGBDMO CCC[N@H+](C)Cc1nc(-c2cc(C)c([N+](=O)[O-])cc2C)no1 ZINC001320963259 1107204651 /nfs/dbraw/zinc/20/46/51/1107204651.db2.gz PYRUKMQVBPFOCQ-UHFFFAOYSA-N 1 1 304.350 3.103 20 5 DGBDMO CCC[N@@H+](C)Cc1nc(-c2cc(C)c([N+](=O)[O-])cc2C)no1 ZINC001320963259 1107204662 /nfs/dbraw/zinc/20/46/62/1107204662.db2.gz PYRUKMQVBPFOCQ-UHFFFAOYSA-N 1 1 304.350 3.103 20 5 DGBDMO CN(C)[C@H]1CCCC[C@@H]1[NH2+]Cc1ccc([N+](=O)[O-])c(Cl)c1 ZINC001321635726 1107399490 /nfs/dbraw/zinc/39/94/90/1107399490.db2.gz GTBUALKMGGUZIT-ZFWWWQNUSA-N 1 1 311.813 3.211 20 5 DGBDMO O=[N+]([O-])c1cnc(N[C@@H]2CC[N@H+]3CCC[C@H]3C2)c2ccccc21 ZINC001262058087 1107599828 /nfs/dbraw/zinc/59/98/28/1107599828.db2.gz NHMLXXBAKGNYTA-OLZOCXBDSA-N 1 1 312.373 3.182 20 5 DGBDMO Cc1cc(NC(=O)c2c(C)cc(C)c([N+](=O)[O-])c2C)cc(C)[nH+]1 ZINC001324966766 1108540182 /nfs/dbraw/zinc/54/01/82/1108540182.db2.gz SJCODXYNFGWKNP-UHFFFAOYSA-N 1 1 313.357 3.206 20 5 DGBDMO Cc1ccc([N+](=O)[O-])cc1[C@H](C)N[C@H]1CCCC[C@H]1[NH+](C)C ZINC001319762924 1108627308 /nfs/dbraw/zinc/62/73/08/1108627308.db2.gz KCMSBXTUILBGHT-RRQGHBQHSA-N 1 1 305.422 3.427 20 5 DGBDMO CCC[N@H+]1CCC[C@H]1CNc1ccc([N+](=O)[O-])c(OC(C)C)n1 ZINC001307114654 1111267610 /nfs/dbraw/zinc/26/76/10/1111267610.db2.gz KYNBHWNLJMJIND-ZDUSSCGKSA-N 1 1 322.409 3.063 20 5 DGBDMO C[N@H+]1C[C@@H](CNc2ccc([N+](=O)[O-])cc2)[C@H](c2ccccc2)C1 ZINC001307147538 1111272071 /nfs/dbraw/zinc/27/20/71/1111272071.db2.gz CBYPRKXRUOZMNZ-QAPCUYQASA-N 1 1 311.385 3.352 20 5 DGBDMO C[C@@H]([NH2+]Cc1ccc(F)cc1[N+](=O)[O-])c1ccc([N+](=O)[O-])cc1 ZINC001308069665 1111373561 /nfs/dbraw/zinc/37/35/61/1111373561.db2.gz DTTLQNXGGHTJJD-SNVBAGLBSA-N 1 1 319.292 3.493 20 5 DGBDMO Cc1cccc(C)c1C[N@@H+](C)C[C@@H](O)c1cccc([N+](=O)[O-])c1 ZINC001308112382 1111379080 /nfs/dbraw/zinc/37/90/80/1111379080.db2.gz FSONJFFRMRKPHI-GOSISDBHSA-N 1 1 314.385 3.377 20 5 DGBDMO CCC[C@H]1CCC[N@H+]1CCOc1ccc(OC)cc1[N+](=O)[O-] ZINC001308136781 1111383529 /nfs/dbraw/zinc/38/35/29/1111383529.db2.gz VLOXZIRIUQZFMP-ZDUSSCGKSA-N 1 1 308.378 3.247 20 5 DGBDMO O=[N+]([O-])c1ccccc1C[N@@H+](Cc1ccc(CO)cc1)C1CC1 ZINC000305851997 231075277 /nfs/dbraw/zinc/07/52/77/231075277.db2.gz VFZZWVCABZBANJ-UHFFFAOYSA-N 1 1 312.369 3.252 20 5 DGBDMO O=[N+]([O-])c1ccccc1C[N@H+](Cc1ccc(CO)cc1)C1CC1 ZINC000305851997 231075280 /nfs/dbraw/zinc/07/52/80/231075280.db2.gz VFZZWVCABZBANJ-UHFFFAOYSA-N 1 1 312.369 3.252 20 5 DGBDMO Cc1c(C[N@H+]2CCC[C@@H]2[C@H]2CCC[C@@H]2O)cccc1[N+](=O)[O-] ZINC000319368370 231182882 /nfs/dbraw/zinc/18/28/82/231182882.db2.gz YKJBJCVJCWKCOG-OIISXLGYSA-N 1 1 304.390 3.029 20 5 DGBDMO CC[C@]1(O)CC[N@@H+](Cc2ccc(-c3ccc([N+](=O)[O-])cc3)o2)C1 ZINC000428443321 529441976 /nfs/dbraw/zinc/44/19/76/529441976.db2.gz YFJMPSCXDPNRGP-KRWDZBQOSA-N 1 1 316.357 3.202 20 5 DGBDMO CCc1cnccc1[C@H](C)[NH2+]Cc1ccc([N+](=O)[O-])cc1OC ZINC000430209925 529681531 /nfs/dbraw/zinc/68/15/31/529681531.db2.gz ZQAKWCGQZRJJTN-LBPRGKRZSA-N 1 1 315.373 3.412 20 5 DGBDMO O=[N+]([O-])c1ccccc1-c1ccc(C[N@@H+]2CCC[C@H]2CO)s1 ZINC000092455772 185319418 /nfs/dbraw/zinc/31/94/18/185319418.db2.gz BPHYPLFSGNMRAP-LBPRGKRZSA-N 1 1 318.398 3.280 20 5 DGBDMO COCCC[N@@H+](C)Cc1ccc(-c2ccccc2[N+](=O)[O-])o1 ZINC000092537151 185324581 /nfs/dbraw/zinc/32/45/81/185324581.db2.gz LZULWOMMFJASQY-UHFFFAOYSA-N 1 1 304.346 3.323 20 5 DGBDMO CCOCC[N@H+](CC)Cc1cc([N+](=O)[O-])ccc1OC(F)F ZINC000092537997 185324845 /nfs/dbraw/zinc/32/48/45/185324845.db2.gz RABQIPRKJSMVGP-UHFFFAOYSA-N 1 1 318.320 3.055 20 5 DGBDMO CCOCC[N@@H+](CC)Cc1cc([N+](=O)[O-])ccc1OC(F)F ZINC000092537997 185324846 /nfs/dbraw/zinc/32/48/46/185324846.db2.gz RABQIPRKJSMVGP-UHFFFAOYSA-N 1 1 318.320 3.055 20 5 DGBDMO CC[C@H]([NH2+][C@@H](C)Cc1cc(C)[nH]n1)c1cccc([N+](=O)[O-])c1 ZINC000181427826 199295662 /nfs/dbraw/zinc/29/56/62/199295662.db2.gz LSGGKXQQZHEXIV-ZBEGNZNMSA-N 1 1 302.378 3.298 20 5 DGBDMO C[N@@H+](CCSc1ncc([N+](=O)[O-])cc1F)Cc1ccccc1 ZINC000413263666 529929133 /nfs/dbraw/zinc/92/91/33/529929133.db2.gz JBUFBPURZFKYJL-UHFFFAOYSA-N 1 1 321.377 3.353 20 5 DGBDMO C[N@@H+](CCc1cccs1)Cc1nc2cc([N+](=O)[O-])ccc2[nH]1 ZINC000444642905 529936459 /nfs/dbraw/zinc/93/64/59/529936459.db2.gz BBNKSBQALWGPDE-UHFFFAOYSA-N 1 1 316.386 3.207 20 5 DGBDMO C[N@@H+](CCn1cc([N+](=O)[O-])cn1)[C@@H]1CCC[C@H]1c1ccccc1 ZINC000297461566 529939798 /nfs/dbraw/zinc/93/97/98/529939798.db2.gz IBDDQBPAROAYMD-DLBZAZTESA-N 1 1 314.389 3.059 20 5 DGBDMO C[N@H+]1CCC[C@@H](CCNc2ccc([N+](=O)[O-])c3cccnc23)C1 ZINC000413448782 530055021 /nfs/dbraw/zinc/05/50/21/530055021.db2.gz WVOWCWYDRWSXGG-ZDUSSCGKSA-N 1 1 314.389 3.287 20 5 DGBDMO Cc1ccnc(N[C@H](C)[C@H]2CCC[N@H+](C3CCC3)C2)c1[N+](=O)[O-] ZINC000272660625 210065137 /nfs/dbraw/zinc/06/51/37/210065137.db2.gz BUWMEZVUVTZISK-KGLIPLIRSA-N 1 1 318.421 3.363 20 5 DGBDMO Cc1noc(C)c1CC[N@@H+](Cc1ccc([N+](=O)[O-])cc1)C1CC1 ZINC000130312588 432020157 /nfs/dbraw/zinc/02/01/57/432020157.db2.gz XZRYGGWHWAXCKE-UHFFFAOYSA-N 1 1 315.373 3.407 20 5 DGBDMO Cc1ccc([N+](=O)[O-])cc1NC(=O)C[N@@H+]1CCC[C@H]1CC(C)C ZINC000130319339 432021027 /nfs/dbraw/zinc/02/10/27/432021027.db2.gz WTZXZJFHPGXLOT-AWEZNQCLSA-N 1 1 319.405 3.352 20 5 DGBDMO Cc1ccc([N+](=O)[O-])cc1NC(=O)C[N@@H+]1CCC[C@@H]1CC(C)C ZINC000130319117 432021638 /nfs/dbraw/zinc/02/16/38/432021638.db2.gz WTZXZJFHPGXLOT-CQSZACIVSA-N 1 1 319.405 3.352 20 5 DGBDMO COc1ccnc(C[N@H+](Cc2ccc([N+](=O)[O-])cc2)C(C)C)c1 ZINC000106933734 432025921 /nfs/dbraw/zinc/02/59/21/432025921.db2.gz OSMCVIIFPYXDBC-UHFFFAOYSA-N 1 1 315.373 3.409 20 5 DGBDMO COc1ccnc(C[N@@H+](Cc2ccc([N+](=O)[O-])cc2)C(C)C)c1 ZINC000106933734 432025923 /nfs/dbraw/zinc/02/59/23/432025923.db2.gz OSMCVIIFPYXDBC-UHFFFAOYSA-N 1 1 315.373 3.409 20 5 DGBDMO COc1ccc(C[N@H+](C)[C@@H](C)c2ccncc2)cc1[N+](=O)[O-] ZINC000171923819 198009168 /nfs/dbraw/zinc/00/91/68/198009168.db2.gz UPLIMPJBDTYDHC-LBPRGKRZSA-N 1 1 301.346 3.191 20 5 DGBDMO COc1ccc(C[N@@H+](C)[C@@H](C)c2ccncc2)cc1[N+](=O)[O-] ZINC000171923819 198009170 /nfs/dbraw/zinc/00/91/70/198009170.db2.gz UPLIMPJBDTYDHC-LBPRGKRZSA-N 1 1 301.346 3.191 20 5 DGBDMO Cc1cc([N+](=O)[O-])ccc1NC(=O)C[N@@H+]1CCCC[C@@H]1C(C)C ZINC000072664138 191212256 /nfs/dbraw/zinc/21/22/56/191212256.db2.gz RAKGVMXFLDBZBJ-MRXNPFEDSA-N 1 1 319.405 3.352 20 5 DGBDMO CCC[C@H]1[C@@H](C)CCC[N@H+]1Cc1ccc(C(N)=O)cc1[N+](=O)[O-] ZINC000072775181 191226767 /nfs/dbraw/zinc/22/67/67/191226767.db2.gz AFPAXHRSSCEARP-WFASDCNBSA-N 1 1 319.405 3.094 20 5 DGBDMO COc1ccc(OCC[N@@H+](C)[C@@H](C)c2ccco2)c([N+](=O)[O-])c1 ZINC000173583508 198230070 /nfs/dbraw/zinc/23/00/70/198230070.db2.gz PKRKADLHTIGERS-LBPRGKRZSA-N 1 1 320.345 3.268 20 5 DGBDMO C[C@H]1CN(Cc2ccc([N+](=O)[O-])c(F)c2)CC[N@H+](C2CCC2)C1 ZINC000292357194 223019592 /nfs/dbraw/zinc/01/95/92/223019592.db2.gz QEMPBRWKTVANMC-ZDUSSCGKSA-N 1 1 321.396 3.040 20 5 DGBDMO C[C@@H]1C[N@@H+](Cc2ccc(-c3ccc([N+](=O)[O-])cc3)o2)CCCO1 ZINC000179396300 199028335 /nfs/dbraw/zinc/02/83/35/199028335.db2.gz DAYSYWDJDWQRRZ-CYBMUJFWSA-N 1 1 316.357 3.466 20 5 DGBDMO CC(C)(C)Oc1ccc(C[NH2+]Cc2ccccc2[N+](=O)[O-])cn1 ZINC000180886674 199224019 /nfs/dbraw/zinc/22/40/19/199224019.db2.gz PZSCUIUKEXVXMB-UHFFFAOYSA-N 1 1 315.373 3.457 20 5 DGBDMO C[C@H](c1cccc([N+](=O)[O-])c1)N1CC[N@H+]([C@H]2C[C@@H]2C)C[C@H](C)C1 ZINC000429014873 238038595 /nfs/dbraw/zinc/03/85/95/238038595.db2.gz ZNLCVQBYHIQKOP-FSZRXZPDSA-N 1 1 317.433 3.318 20 5 DGBDMO COc1cc([N+](=O)[O-])ccc1C[N@@H+]1CC[C@@H](OCCC(C)C)C1 ZINC000430209427 238070929 /nfs/dbraw/zinc/07/09/29/238070929.db2.gz XTXKRBXXBBIGOC-MRXNPFEDSA-N 1 1 322.405 3.240 20 5 DGBDMO COc1cc([N+](=O)[O-])ccc1C[N@H+]1CC[C@@H](OCCC(C)C)C1 ZINC000430209427 238070930 /nfs/dbraw/zinc/07/09/30/238070930.db2.gz XTXKRBXXBBIGOC-MRXNPFEDSA-N 1 1 322.405 3.240 20 5 DGBDMO COc1cc([N+](=O)[O-])ccc1C[N@@H+]1CCC[C@@H]1c1ccc[nH]1 ZINC000430243215 238072360 /nfs/dbraw/zinc/07/23/60/238072360.db2.gz UGEOUGHYHSJJSL-OAHLLOKOSA-N 1 1 301.346 3.269 20 5 DGBDMO COc1cc([N+](=O)[O-])ccc1C[N@H+]1CCC[C@@H]1c1ccc[nH]1 ZINC000430243215 238072361 /nfs/dbraw/zinc/07/23/61/238072361.db2.gz UGEOUGHYHSJJSL-OAHLLOKOSA-N 1 1 301.346 3.269 20 5 DGBDMO O=[N+]([O-])c1cc(C[N@@H+]2CC[C@@H](O)C23CCCC3)ccc1Cl ZINC000292559846 223146758 /nfs/dbraw/zinc/14/67/58/223146758.db2.gz AYZHLLBLDMGHGS-CQSZACIVSA-N 1 1 310.781 3.128 20 5 DGBDMO COc1ccc(OCC[N@H+]2C[C@@H](C)CCC[C@@H]2C)c([N+](=O)[O-])c1 ZINC000441448124 239051732 /nfs/dbraw/zinc/05/17/32/239051732.db2.gz OKBZJKMWSJHJDA-KBPBESRZSA-N 1 1 322.405 3.493 20 5 DGBDMO C[C@@H](C(=O)Nc1ccccc1[N+](=O)[O-])[N@H+]1CC[C@@H](C)C[C@@H](C)C1 ZINC000443640278 239220881 /nfs/dbraw/zinc/22/08/81/239220881.db2.gz IROBVKULBDRDBT-MCIONIFRSA-N 1 1 319.405 3.290 20 5 DGBDMO C[C@H](C1CC1)[N@@H+](Cc1nc2cc([N+](=O)[O-])ccc2[nH]1)C1CC1 ZINC000444584429 239302072 /nfs/dbraw/zinc/30/20/72/239302072.db2.gz TXFVNQHZCWPGJL-SNVBAGLBSA-N 1 1 300.362 3.234 20 5 DGBDMO Cc1cc([N+](=O)[O-])cc(Cl)c1N[C@@H]1CCn2cc[nH+]c2C1 ZINC000444830579 239361546 /nfs/dbraw/zinc/36/15/46/239361546.db2.gz UIMJBXVQJMWWST-SNVBAGLBSA-N 1 1 306.753 3.180 20 5 DGBDMO O=[N+]([O-])c1ccc2[nH]c(C[NH2+]Cc3ccc(Cl)s3)nc2c1 ZINC000446829371 239574763 /nfs/dbraw/zinc/57/47/63/239574763.db2.gz HAPRYYIBHHWGPP-UHFFFAOYSA-N 1 1 322.777 3.476 20 5 DGBDMO CCOC(=O)c1coc(C[NH2+][C@@H](C)c2ccc([N+](=O)[O-])cc2)c1 ZINC000449350337 240149621 /nfs/dbraw/zinc/14/96/21/240149621.db2.gz UULJCCWOXGTBKA-NSHDSACASA-N 1 1 318.329 3.215 20 5 DGBDMO C[C@@H]1CN(Cc2ccc([N+](=O)[O-])cc2Cl)CC[N@H+](C2CC2)C1 ZINC000449349299 240150026 /nfs/dbraw/zinc/15/00/26/240150026.db2.gz WSXACGOBJZPIQS-GFCCVEGCSA-N 1 1 323.824 3.164 20 5 DGBDMO CCn1cc(C[N@H+]2CCC[C@H](c3ccc([N+](=O)[O-])cc3)C2)cn1 ZINC000449504250 240253276 /nfs/dbraw/zinc/25/32/76/240253276.db2.gz VMRCUMIHVSSERV-INIZCTEOSA-N 1 1 314.389 3.191 20 5 DGBDMO O=[N+]([O-])c1ccc([C@@H]2CCC[N@H+](CCN3CCCCC3)C2)cc1 ZINC000451548783 241169262 /nfs/dbraw/zinc/16/92/62/241169262.db2.gz OKUCYSXIVBSCRG-QGZVFWFLSA-N 1 1 317.433 3.260 20 5 DGBDMO O=[N+]([O-])c1ccc([C@@H]2CCC[N@@H+](CCN3CCCCC3)C2)cc1 ZINC000451548783 241169266 /nfs/dbraw/zinc/16/92/66/241169266.db2.gz OKUCYSXIVBSCRG-QGZVFWFLSA-N 1 1 317.433 3.260 20 5 DGBDMO CO[C@@H]1CC[N@@H+](Cc2cc([N+](=O)[O-])ccc2OC(C)C)C[C@@H]1C ZINC000451551556 241170518 /nfs/dbraw/zinc/17/05/18/241170518.db2.gz WKTIDLSDQACJBT-XJKSGUPXSA-N 1 1 322.405 3.239 20 5 DGBDMO O=[N+]([O-])c1ccccc1OCC[N@H+]1CCC[C@@]2(CCSC2)C1 ZINC000451965646 241285228 /nfs/dbraw/zinc/28/52/28/241285228.db2.gz MYRFKPCSIXMQDJ-MRXNPFEDSA-N 1 1 322.430 3.193 20 5 DGBDMO CCC[C@@H](C)[C@@H]1CCC[N@H+]1Cc1ccc(C(N)=O)cc1[N+](=O)[O-] ZINC000135328558 432112875 /nfs/dbraw/zinc/11/28/75/432112875.db2.gz GWMKRKJBBZIFNC-DOMZBBRYSA-N 1 1 319.405 3.094 20 5 DGBDMO CC[C@@H](c1ccncc1)[N@@H+](C)CCOc1ccc([N+](=O)[O-])cc1 ZINC000092224613 193176063 /nfs/dbraw/zinc/17/60/63/193176063.db2.gz LDFDCUMMSGHJIT-KRWDZBQOSA-N 1 1 315.373 3.452 20 5 DGBDMO CC[C@@]1(CO)CCC[N@H+](Cc2cc(Cl)ccc2[N+](=O)[O-])C1 ZINC000275147644 212150274 /nfs/dbraw/zinc/15/02/74/212150274.db2.gz ORGPVYYSELSHRG-OAHLLOKOSA-N 1 1 312.797 3.233 20 5 DGBDMO CC[C@@]1(CO)CCC[N@@H+](Cc2cc(Cl)ccc2[N+](=O)[O-])C1 ZINC000275147644 212150276 /nfs/dbraw/zinc/15/02/76/212150276.db2.gz ORGPVYYSELSHRG-OAHLLOKOSA-N 1 1 312.797 3.233 20 5 DGBDMO C[C@H]1C[N@@H+](Cc2ccc(-c3ccccc3[N+](=O)[O-])o2)CC[C@@H]1O ZINC000190059498 432118631 /nfs/dbraw/zinc/11/86/31/432118631.db2.gz IAHXVWCILFKLMX-LRDDRELGSA-N 1 1 316.357 3.058 20 5 DGBDMO CC[NH+](CC)C[C@@H](C)NC/C(C)=C/c1cccc([N+](=O)[O-])c1 ZINC000468630270 244055899 /nfs/dbraw/zinc/05/58/99/244055899.db2.gz OETXZYOJLLJSDH-YVGNARHYSA-N 1 1 305.422 3.318 20 5 DGBDMO C[C@H](CN[C@@H](C)c1ccc([N+](=O)[O-])cc1)[NH+]1CCC(C)CC1 ZINC000119052443 284133174 /nfs/dbraw/zinc/13/31/74/284133174.db2.gz LHXAJUZLFKWMFZ-CABCVRRESA-N 1 1 305.422 3.366 20 5 DGBDMO CC[C@H](O)[C@@H]1CCCC[N@H+]1Cc1c(Cl)cccc1[N+](=O)[O-] ZINC000119196571 284137366 /nfs/dbraw/zinc/13/73/66/284137366.db2.gz VNWYDOXOCMOYIA-GJZGRUSLSA-N 1 1 312.797 3.374 20 5 DGBDMO O=[N+]([O-])c1cccc(Cl)c1C[NH2+][C@@H](CCO)c1ccccc1 ZINC000119650387 284147926 /nfs/dbraw/zinc/14/79/26/284147926.db2.gz NLLJDHOORJYWIL-HNNXBMFYSA-N 1 1 320.776 3.462 20 5 DGBDMO O=[N+]([O-])c1ccc2c(c1)C[N@@H+](CCc1ccc(F)c(F)c1)CC2 ZINC000489832851 245352899 /nfs/dbraw/zinc/35/28/99/245352899.db2.gz BAXKXIPNKXJGOV-UHFFFAOYSA-N 1 1 318.323 3.474 20 5 DGBDMO O=[N+]([O-])c1ccc2c(c1)C[N@H+](CCc1ccc(F)c(F)c1)CC2 ZINC000489832851 245352903 /nfs/dbraw/zinc/35/29/03/245352903.db2.gz BAXKXIPNKXJGOV-UHFFFAOYSA-N 1 1 318.323 3.474 20 5 DGBDMO CC[N@@H+](C)Cc1cccc(CNc2ncc([N+](=O)[O-])cc2C)c1 ZINC000264793281 204161435 /nfs/dbraw/zinc/16/14/35/204161435.db2.gz BATCTHWOOJIGHY-UHFFFAOYSA-N 1 1 314.389 3.362 20 5 DGBDMO C[C@@H]1[C@@H](Nc2ncc([N+](=O)[O-])s2)CC[N@H+]1Cc1ccccc1 ZINC000288225977 220029500 /nfs/dbraw/zinc/02/95/00/220029500.db2.gz NEAFHKUQKXKFAX-YPMHNXCESA-N 1 1 318.402 3.126 20 5 DGBDMO Cc1nc(C[N@H+](C)CCc2cccc([N+](=O)[O-])c2)sc1C ZINC000282518216 217055890 /nfs/dbraw/zinc/05/58/90/217055890.db2.gz SWOCTXRXLXRWFR-UHFFFAOYSA-N 1 1 305.403 3.343 20 5 DGBDMO Cc1nc(C[N@@H+](C)CCc2cccc([N+](=O)[O-])c2)sc1C ZINC000282518216 217055894 /nfs/dbraw/zinc/05/58/94/217055894.db2.gz SWOCTXRXLXRWFR-UHFFFAOYSA-N 1 1 305.403 3.343 20 5 DGBDMO CC(C)Oc1ccc([N+](=O)[O-])cc1C[N@H+]1CCC[C@H]1C[C@H](C)O ZINC000246543968 432142407 /nfs/dbraw/zinc/14/24/07/432142407.db2.gz DCQLHJHJGMOKDA-ZFWWWQNUSA-N 1 1 322.405 3.117 20 5 DGBDMO O=[N+]([O-])c1ccccc1/C=C/C[N@H+]1CCC[C@@H]1[C@@H]1CCCO1 ZINC000284924345 218237415 /nfs/dbraw/zinc/23/74/15/218237415.db2.gz GPJSJSHQFOUPGI-QITRJSSMSA-N 1 1 302.374 3.251 20 5 DGBDMO C[N@H+]1CCC[C@H]2CN(Cc3cc(Cl)ccc3[N+](=O)[O-])CC[C@@H]21 ZINC000269003516 207158461 /nfs/dbraw/zinc/15/84/61/207158461.db2.gz PXLMMPJVKYKLIJ-WFASDCNBSA-N 1 1 323.824 3.164 20 5 DGBDMO O=[N+]([O-])c1cc(C[N@H+]2CCC[C@H](c3ncc[nH]3)C2)ccc1Cl ZINC000269053628 207203269 /nfs/dbraw/zinc/20/32/69/207203269.db2.gz UVEKZJMFIJUQLD-LBPRGKRZSA-N 1 1 320.780 3.351 20 5 DGBDMO O=[N+]([O-])c1cccc(CN(c2[nH+]cnc3[nH]ccc32)C2CC2)c1 ZINC000269101477 207241827 /nfs/dbraw/zinc/24/18/27/207241827.db2.gz SJDVVFJGOVWLSZ-UHFFFAOYSA-N 1 1 309.329 3.035 20 5 DGBDMO C[C@H]1CC[N@@H+](Cc2ccc(-c3ccc([N+](=O)[O-])cc3)o2)[C@H]1CO ZINC000249088250 285053518 /nfs/dbraw/zinc/05/35/18/285053518.db2.gz MWJZQEXLMWECNH-LRDDRELGSA-N 1 1 316.357 3.058 20 5 DGBDMO C[C@H]1CCCC[C@H]1[N@@H+](C)CCC(=O)Nc1ccccc1[N+](=O)[O-] ZINC000336969558 253028774 /nfs/dbraw/zinc/02/87/74/253028774.db2.gz BOLCZFSGWVTTMD-DZGCQCFKSA-N 1 1 319.405 3.434 20 5 DGBDMO C[C@@H](C1CC1)[N@@H+](CCC(=O)Nc1ccccc1[N+](=O)[O-])C1CC1 ZINC000337321754 253087284 /nfs/dbraw/zinc/08/72/84/253087284.db2.gz CNXNCGFXIZQJPF-LBPRGKRZSA-N 1 1 317.389 3.186 20 5 DGBDMO C[C@@H]1CCC[C@@H](C)[N@@H+](CCC(=O)Nc2ccccc2[N+](=O)[O-])C1 ZINC000337256271 253071026 /nfs/dbraw/zinc/07/10/26/253071026.db2.gz SFXVDVBCUTZPCG-ZIAGYGMSSA-N 1 1 319.405 3.434 20 5 DGBDMO C[C@H]1CCC[C@H](C)[N@@H+](CCC(=O)Nc2ccccc2[N+](=O)[O-])C1 ZINC000337256268 253071218 /nfs/dbraw/zinc/07/12/18/253071218.db2.gz SFXVDVBCUTZPCG-KBPBESRZSA-N 1 1 319.405 3.434 20 5 DGBDMO C[C@H]1C[N@@H+](Cc2ccc(-c3ccccc3[N+](=O)[O-])o2)CC[C@H]1O ZINC000249884503 285090428 /nfs/dbraw/zinc/09/04/28/285090428.db2.gz IAHXVWCILFKLMX-BLLLJJGKSA-N 1 1 316.357 3.058 20 5 DGBDMO O=[N+]([O-])c1ccc(CC[N@@H+]2CCC[C@H]2CN2CCCCC2)cc1 ZINC000069033094 285110530 /nfs/dbraw/zinc/11/05/30/285110530.db2.gz OOWANPADIINILI-SFHVURJKSA-N 1 1 317.433 3.088 20 5 DGBDMO O=[N+]([O-])c1ccc(CC[N@H+]2CCC[C@H]2CN2CCCCC2)cc1 ZINC000069033094 285110531 /nfs/dbraw/zinc/11/05/31/285110531.db2.gz OOWANPADIINILI-SFHVURJKSA-N 1 1 317.433 3.088 20 5 DGBDMO O=[N+]([O-])c1ccc(Cl)cc1N1CCC(c2[nH]cc[nH+]2)CC1 ZINC000279575708 285116656 /nfs/dbraw/zinc/11/66/56/285116656.db2.gz ZDRJLCCQDTZKBS-UHFFFAOYSA-N 1 1 306.753 3.355 20 5 DGBDMO CC(=O)c1ccc(NC[C@@H](C)[N@H+]2CCCC[C@@H]2C)c([N+](=O)[O-])c1 ZINC000339000409 253386709 /nfs/dbraw/zinc/38/67/09/253386709.db2.gz KYAIHMJIXZXPDF-QWHCGFSZSA-N 1 1 319.405 3.472 20 5 DGBDMO CC[C@H]([NH2+]Cc1cnccc1OC)c1cccc([N+](=O)[O-])c1 ZINC000340402353 253616787 /nfs/dbraw/zinc/61/67/87/253616787.db2.gz DPZFJMAIFCVYJF-HNNXBMFYSA-N 1 1 301.346 3.239 20 5 DGBDMO CC(C)[C@@H]1CC[N@H+]1Cc1cn(C)nc1-c1ccc([N+](=O)[O-])cc1 ZINC000342862369 254067273 /nfs/dbraw/zinc/06/72/73/254067273.db2.gz SIRSUCABPOOONE-INIZCTEOSA-N 1 1 314.389 3.226 20 5 DGBDMO CC[C@]1(C)CC[N@@H+](Cc2nc(-c3cccc([N+](=O)[O-])c3)no2)C1 ZINC000344278535 254249759 /nfs/dbraw/zinc/24/97/59/254249759.db2.gz VDMQTGZWVXNNGH-MRXNPFEDSA-N 1 1 316.361 3.267 20 5 DGBDMO CC(C)c1nnc(C[NH2+]C/C=C\c2ccccc2[N+](=O)[O-])s1 ZINC000344634591 254291246 /nfs/dbraw/zinc/29/12/46/254291246.db2.gz ZBMSWEVNHBLDJD-ALCCZGGFSA-N 1 1 318.402 3.373 20 5 DGBDMO C[N@@H+](Cc1ccc(-c2cccc([N+](=O)[O-])c2)o1)[C@@H]1CCC[C@H]1O ZINC000289978734 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CO[C@H](C[N@@H+](C)CCc1ccccc1[N+](=O)[O-])C1CCCC1 ZINC000595485724 400165463 /nfs/dbraw/zinc/16/54/63/400165463.db2.gz WXKIHBIVTZFOFC-QGZVFWFLSA-N 1 1 306.406 3.274 20 5 DGBDMO O=[N+]([O-])c1cc(C[N@@H+]2CCC[C@@H](c3ccccn3)C2)cs1 ZINC000595499313 400169012 /nfs/dbraw/zinc/16/90/12/400169012.db2.gz FKVHLJVHOICIML-CYBMUJFWSA-N 1 1 303.387 3.431 20 5 DGBDMO O=[N+]([O-])c1cc(C[N@H+]2CCC[C@@H](c3ccccn3)C2)cs1 ZINC000595499313 400169014 /nfs/dbraw/zinc/16/90/14/400169014.db2.gz FKVHLJVHOICIML-CYBMUJFWSA-N 1 1 303.387 3.431 20 5 DGBDMO CC[N@H+]1CCC[C@@H]1CNc1ccc([N+](=O)[O-])c2cnccc12 ZINC000067948941 400219129 /nfs/dbraw/zinc/21/91/29/400219129.db2.gz WRWWUMICJDOZEO-GFCCVEGCSA-N 1 1 300.362 3.039 20 5 DGBDMO COc1ccc([N+](=O)[O-])c(N2CCC[N@H+](C3CCCC3)CC2)c1 ZINC000610278722 400233666 /nfs/dbraw/zinc/23/36/66/400233666.db2.gz RHEXAKFCLHDIBK-UHFFFAOYSA-N 1 1 319.405 3.058 20 5 DGBDMO CO[C@H]1CCCN(c2cc[nH+]c3ccc([N+](=O)[O-])cc32)CC1 ZINC000601140939 400246753 /nfs/dbraw/zinc/24/67/53/400246753.db2.gz DJFYHDCLDHHWMB-ZDUSSCGKSA-N 1 1 301.346 3.148 20 5 DGBDMO C[C@@H]1CN(c2cc[nH+]c3ccc([N+](=O)[O-])cc32)C[C@H](C2CC2)O1 ZINC000601156432 400252338 /nfs/dbraw/zinc/25/23/38/400252338.db2.gz QLKFANFUXXPFBC-PIGZYNQJSA-N 1 1 313.357 3.147 20 5 DGBDMO O=[N+]([O-])c1cc(F)ccc1C[N@H+]1CCC[C@@H]1[C@@H]1CCCOC1 ZINC000595563827 400189594 /nfs/dbraw/zinc/18/95/94/400189594.db2.gz ULDJDTRIAYGANQ-UKRRQHHQSA-N 1 1 308.353 3.125 20 5 DGBDMO Cc1c(NC(=O)[C@@H](C)[N@@H+]2C[C@@H]3CCCC[C@@H]32)cccc1[N+](=O)[O-] ZINC000595567013 400190624 /nfs/dbraw/zinc/19/06/24/400190624.db2.gz QXBYASCGLXQWTB-WWGRRREGSA-N 1 1 317.389 3.105 20 5 DGBDMO Cc1c(NC(=O)[C@@H](C)[N@H+]2C[C@@H]3CCCC[C@@H]32)cccc1[N+](=O)[O-] ZINC000595567013 400190628 /nfs/dbraw/zinc/19/06/28/400190628.db2.gz QXBYASCGLXQWTB-WWGRRREGSA-N 1 1 317.389 3.105 20 5 DGBDMO C[C@@H]1C[C@H](Nc2ccc([N+](=O)[O-])c3cccnc23)C[N@H+]1C1CC1 ZINC000092672337 400192653 /nfs/dbraw/zinc/19/26/53/400192653.db2.gz UUWOJZJFADDQJB-NEPJUHHUSA-N 1 1 312.373 3.180 20 5 DGBDMO CC[C@@H](C)[N@@H+](CC)CCC(=O)Nc1cccc([N+](=O)[O-])c1C ZINC000595600155 400198607 /nfs/dbraw/zinc/19/86/07/400198607.db2.gz MUDYWCJCCYQFEW-GFCCVEGCSA-N 1 1 307.394 3.352 20 5 DGBDMO CC(C)(C)[N@@H+](CCn1ccc([N+](=O)[O-])n1)Cc1ccsc1 ZINC000595599980 400198743 /nfs/dbraw/zinc/19/87/43/400198743.db2.gz DYDWNGMEXALLBR-UHFFFAOYSA-N 1 1 308.407 3.154 20 5 DGBDMO CC[C@@H](C)[N@@H+](CC)CCC(=O)Nc1ccc([N+](=O)[O-])cc1OC ZINC000595599424 400199161 /nfs/dbraw/zinc/19/91/61/400199161.db2.gz LJTOHKSSVCTASN-GFCCVEGCSA-N 1 1 323.393 3.052 20 5 DGBDMO C[C@H](c1ccccc1[N+](=O)[O-])[N@H+]1CCc2ccc(O)cc2CC1 ZINC000610390320 400254013 /nfs/dbraw/zinc/25/40/13/400254013.db2.gz WABZKSULLQDHDQ-CYBMUJFWSA-N 1 1 312.369 3.462 20 5 DGBDMO CCCC[N@@H+](CC)CC(=O)Nc1ccc(Cl)cc1[N+](=O)[O-] ZINC000027272425 400268661 /nfs/dbraw/zinc/26/86/61/400268661.db2.gz MBGCONOIKNQEBV-UHFFFAOYSA-N 1 1 313.785 3.309 20 5 DGBDMO O=[N+]([O-])c1ccc(C[NH+]2CCC(c3ccon3)CC2)c(F)c1 ZINC000595827747 400273061 /nfs/dbraw/zinc/27/30/61/400273061.db2.gz HDCYEZWJZYMMNB-UHFFFAOYSA-N 1 1 305.309 3.102 20 5 DGBDMO C[C@H](c1nnc(-c2ccc([N+](=O)[O-])cc2)o1)[N@@H+]1C[C@H]2CCC[C@@H]21 ZINC000610585260 400280049 /nfs/dbraw/zinc/28/00/49/400280049.db2.gz HTBHKRCWLLZGSH-QKCSRTOESA-N 1 1 314.345 3.190 20 5 DGBDMO C[C@H](c1nnc(-c2ccc([N+](=O)[O-])cc2)o1)[N@H+]1C[C@H]2CCC[C@@H]21 ZINC000610585260 400280052 /nfs/dbraw/zinc/28/00/52/400280052.db2.gz HTBHKRCWLLZGSH-QKCSRTOESA-N 1 1 314.345 3.190 20 5 DGBDMO CCOc1cc(C[N@@H+](C)CC2=CCSC2)ccc1[N+](=O)[O-] ZINC000595889685 400287648 /nfs/dbraw/zinc/28/76/48/400287648.db2.gz VKMQSJUAGSCMPH-UHFFFAOYSA-N 1 1 308.403 3.099 20 5 DGBDMO Cc1cc(C)n(CC[N@@H+](Cc2ccc([N+](=O)[O-])cc2)C(C)C)n1 ZINC000068813520 400291627 /nfs/dbraw/zinc/29/16/27/400291627.db2.gz DUCXQAOJVARKPZ-UHFFFAOYSA-N 1 1 316.405 3.319 20 5 DGBDMO Cc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@H+](C)C[C@@H]1CC1(C)C ZINC000595909056 400292363 /nfs/dbraw/zinc/29/23/63/400292363.db2.gz LPBVHCRNEKURKN-ZDUSSCGKSA-N 1 1 319.405 3.210 20 5 DGBDMO C[C@H](c1nnc(-c2ccc([N+](=O)[O-])cc2)o1)[N@H+]1CC2CC1(C)C2 ZINC000595914563 400293688 /nfs/dbraw/zinc/29/36/88/400293688.db2.gz CFZPFJFGCDDETC-VHTNMKBUSA-N 1 1 314.345 3.190 20 5 DGBDMO CC(=O)c1ccc(NC[C@@H]2CCC[N@H+](C(C)C)C2)c([N+](=O)[O-])c1 ZINC000069064178 400308799 /nfs/dbraw/zinc/30/87/99/400308799.db2.gz QTLCDXRXGJIRJM-AWEZNQCLSA-N 1 1 319.405 3.330 20 5 DGBDMO O=[N+]([O-])c1ccccc1C[N@H+]1CCC[C@@H]([C@H]2CCCCO2)C1 ZINC000595784532 400258260 /nfs/dbraw/zinc/25/82/60/400258260.db2.gz AZUAFKRUOUCTOT-NVXWUHKLSA-N 1 1 304.390 3.376 20 5 DGBDMO O=[N+]([O-])c1ccccc1/C=C/C[N@@H+]1CCOCC12CCCC2 ZINC000093840539 400259413 /nfs/dbraw/zinc/25/94/13/400259413.db2.gz BXKVOUYUKXSLOU-FNORWQNLSA-N 1 1 302.374 3.253 20 5 DGBDMO O=[N+]([O-])c1ccccc1/C=C/C[N@H+]1CCOCC12CCCC2 ZINC000093840539 400259417 /nfs/dbraw/zinc/25/94/17/400259417.db2.gz BXKVOUYUKXSLOU-FNORWQNLSA-N 1 1 302.374 3.253 20 5 DGBDMO CCOc1cc(C[NH2+][C@@H](C)c2c(C)noc2C)ccc1[N+](=O)[O-] ZINC000617217486 400332145 /nfs/dbraw/zinc/33/21/45/400332145.db2.gz QNPJKAOHHDBTLE-JTQLQIEISA-N 1 1 319.361 3.449 20 5 DGBDMO CC[N@H+]1CCN(c2ccc([N+](=O)[O-])c(C(F)(F)F)c2)C[C@@H]1C ZINC000611084502 400344084 /nfs/dbraw/zinc/34/40/84/400344084.db2.gz BVQQZOIGQMJCSZ-JTQLQIEISA-N 1 1 317.311 3.144 20 5 DGBDMO O=[N+]([O-])c1ccccc1/C=C\C[N@H+]1CCC[C@@H](n2ccnc2)C1 ZINC000611268078 400369883 /nfs/dbraw/zinc/36/98/83/400369883.db2.gz FTDLCLLBQHVGJB-QQNRWZHASA-N 1 1 312.373 3.142 20 5 DGBDMO COc1cc(NC[C@@H]2CC[N@H+]2C(C)(C)C)c(F)cc1[N+](=O)[O-] ZINC000596305901 400375029 /nfs/dbraw/zinc/37/50/29/400375029.db2.gz COEVRHNBGYRCMS-JTQLQIEISA-N 1 1 311.357 3.027 20 5 DGBDMO Cc1[nH]ncc1[C@H](C)[NH2+]CCCCc1ccc([N+](=O)[O-])cc1 ZINC000611520904 400415082 /nfs/dbraw/zinc/41/50/82/400415082.db2.gz CHSYDRVJRHYBCZ-LBPRGKRZSA-N 1 1 302.378 3.300 20 5 DGBDMO C[C@@H]1CC[C@H](C)[N@@H+]1[C@@H]1CCCN(c2sccc2[N+](=O)[O-])C1 ZINC000611411769 400396348 /nfs/dbraw/zinc/39/63/48/400396348.db2.gz MRMXGKQXXLSBBT-FRRDWIJNSA-N 1 1 309.435 3.498 20 5 DGBDMO CC[C@H]1C[C@@H](C)C[N@H+]1Cc1nc(-c2ccc([N+](=O)[O-])cc2)no1 ZINC000072697557 400398474 /nfs/dbraw/zinc/39/84/74/400398474.db2.gz OEOUOTHYDWMEEK-YPMHNXCESA-N 1 1 316.361 3.265 20 5 DGBDMO Cc1[nH]ncc1[C@@H](C)[NH2+]CCCCc1ccc([N+](=O)[O-])cc1 ZINC000611520903 400415516 /nfs/dbraw/zinc/41/55/16/400415516.db2.gz CHSYDRVJRHYBCZ-GFCCVEGCSA-N 1 1 302.378 3.300 20 5 DGBDMO O=[N+]([O-])c1ccc(N2CC[NH+](Cc3cccs3)CC2)c(F)c1 ZINC000042096812 400421656 /nfs/dbraw/zinc/42/16/56/400421656.db2.gz SVLWPSPRIZOEFZ-UHFFFAOYSA-N 1 1 321.377 3.118 20 5 DGBDMO CCO[C@H]1CC[N@@H+](CCCOc2ccc([N+](=O)[O-])cc2)C[C@H]1C ZINC000590756968 400429534 /nfs/dbraw/zinc/42/95/34/400429534.db2.gz VDXOZKGRJABSTD-PBHICJAKSA-N 1 1 322.405 3.111 20 5 DGBDMO O=[N+]([O-])c1ccc(-c2ccc(CC[NH+]3CCOCC3)cc2)cc1 ZINC000596636640 400466585 /nfs/dbraw/zinc/46/65/85/400466585.db2.gz PAOBRMDBONTZPC-UHFFFAOYSA-N 1 1 312.369 3.137 20 5 DGBDMO COc1ccc(C[N@@H+](C)C/C=C/c2ccccc2[N+](=O)[O-])cn1 ZINC000612586708 400570294 /nfs/dbraw/zinc/57/02/94/400570294.db2.gz GHYXFMPTBZUPAD-FNORWQNLSA-N 1 1 313.357 3.144 20 5 DGBDMO O=c1ccc(C[N@@H+]2CCC[C@H](c3ccc([N+](=O)[O-])cc3)C2)c[nH]1 ZINC000602684048 400538334 /nfs/dbraw/zinc/53/83/34/400538334.db2.gz FBZQZNOKUANXJT-HNNXBMFYSA-N 1 1 313.357 3.075 20 5 DGBDMO O=[N+]([O-])c1ccc2oc(C[N@@H+]3CCSC[C@@H]3C3CC3)nc2c1 ZINC000602686499 400539195 /nfs/dbraw/zinc/53/91/95/400539195.db2.gz WFLBKQYKUXRYQB-CYBMUJFWSA-N 1 1 319.386 3.063 20 5 DGBDMO O=[N+]([O-])c1ccc2oc(C[N@H+]3CCSC[C@@H]3C3CC3)nc2c1 ZINC000602686499 400539202 /nfs/dbraw/zinc/53/92/02/400539202.db2.gz WFLBKQYKUXRYQB-CYBMUJFWSA-N 1 1 319.386 3.063 20 5 DGBDMO Cc1cc([C@H]2CCC[N@@H+]2CCOc2cccc([N+](=O)[O-])c2)no1 ZINC000046054668 400547367 /nfs/dbraw/zinc/54/73/67/400547367.db2.gz QUTKFBIYVSFFLQ-MRXNPFEDSA-N 1 1 317.345 3.107 20 5 DGBDMO Cc1cc([C@H]2CCC[N@H+]2CCOc2cccc([N+](=O)[O-])c2)no1 ZINC000046054668 400547370 /nfs/dbraw/zinc/54/73/70/400547370.db2.gz QUTKFBIYVSFFLQ-MRXNPFEDSA-N 1 1 317.345 3.107 20 5 DGBDMO Cc1cc([C@@H]2CCC[N@@H+]2CCOc2cccc([N+](=O)[O-])c2)no1 ZINC000046054667 400547379 /nfs/dbraw/zinc/54/73/79/400547379.db2.gz QUTKFBIYVSFFLQ-INIZCTEOSA-N 1 1 317.345 3.107 20 5 DGBDMO Cc1cc([C@@H]2CCC[N@H+]2CCOc2cccc([N+](=O)[O-])c2)no1 ZINC000046054667 400547380 /nfs/dbraw/zinc/54/73/80/400547380.db2.gz QUTKFBIYVSFFLQ-INIZCTEOSA-N 1 1 317.345 3.107 20 5 DGBDMO Cc1ncc([N+](=O)[O-])n1CC[N@H+](C)[C@@H](C)c1cccc(Cl)c1 ZINC000602763815 400566056 /nfs/dbraw/zinc/56/60/56/400566056.db2.gz DNRVUVMDYQMMSD-NSHDSACASA-N 1 1 322.796 3.446 20 5 DGBDMO CC[C@@H]1CCCC[N@H+]1Cc1nc(-c2cccc([N+](=O)[O-])c2)no1 ZINC000046502123 400567189 /nfs/dbraw/zinc/56/71/89/400567189.db2.gz QLRXXAHFRYSRRI-CYBMUJFWSA-N 1 1 316.361 3.409 20 5 DGBDMO Cc1cccc([N+](=O)[O-])c1NC(=O)C[N@@H+](C)CCC(C)(C)C ZINC000592144521 400615165 /nfs/dbraw/zinc/61/51/65/400615165.db2.gz KZIRKPBAVQUMAS-UHFFFAOYSA-N 1 1 307.394 3.210 20 5 DGBDMO C[N@@H+](Cc1cccc([N+](=O)[O-])c1)[C@@H](CCO)c1ccccc1 ZINC000075898247 400618829 /nfs/dbraw/zinc/61/88/29/400618829.db2.gz VOUIFAHMEDFAEP-KRWDZBQOSA-N 1 1 300.358 3.150 20 5 DGBDMO C[C@@H]1C[N@@H+](CCCOc2ccc([N+](=O)[O-])cc2)CC2(CCC2)O1 ZINC000592187003 400620820 /nfs/dbraw/zinc/62/08/20/400620820.db2.gz UIQVIGHRHWTBMD-CQSZACIVSA-N 1 1 320.389 3.007 20 5 DGBDMO O=C(C[N@@H+](C1CC1)C1CCCCC1)Nc1ccccc1[N+](=O)[O-] ZINC000048008818 400638769 /nfs/dbraw/zinc/63/87/69/400638769.db2.gz FERUNKQJMXZTES-UHFFFAOYSA-N 1 1 317.389 3.330 20 5 DGBDMO CC(C)c1ccc(C[N@H+]2C[C@H]3COC[C@@]3(C)C2)cc1[N+](=O)[O-] ZINC000597211684 400589544 /nfs/dbraw/zinc/58/95/44/400589544.db2.gz NOAGNAMSLIWNJJ-WMLDXEAASA-N 1 1 304.390 3.187 20 5 DGBDMO C/C(=C\c1cccc([N+](=O)[O-])c1)C[N@@H+]1CC[C@@H](C)O[C@@H](C)C1 ZINC000597225054 400593243 /nfs/dbraw/zinc/59/32/43/400593243.db2.gz MKZBSHNCLCZLDJ-UXHADMKASA-N 1 1 304.390 3.497 20 5 DGBDMO Cc1cscc1C[NH2+]Cc1cc2c(cc1[N+](=O)[O-])OCCO2 ZINC000618730083 400676835 /nfs/dbraw/zinc/67/68/35/400676835.db2.gz RNHMYRGHOREOFJ-UHFFFAOYSA-N 1 1 320.370 3.026 20 5 DGBDMO Cc1cccc(C[N@@H+](C)CCOc2ccccc2[N+](=O)[O-])c1 ZINC000603859889 400725309 /nfs/dbraw/zinc/72/53/09/400725309.db2.gz HFZVCTHTWUECPK-UHFFFAOYSA-N 1 1 300.358 3.414 20 5 DGBDMO CCOc1cc(C[N@H+]2CCC[C@@H](OC(C)C)C2)ccc1[N+](=O)[O-] ZINC000593053404 400748148 /nfs/dbraw/zinc/74/81/48/400748148.db2.gz FIYKDHIKBIQIBN-OAHLLOKOSA-N 1 1 322.405 3.383 20 5 DGBDMO C[N@@H+](CCOc1ccccc1[N+](=O)[O-])Cc1ccc(F)c(F)c1 ZINC000051710095 400707085 /nfs/dbraw/zinc/70/70/85/400707085.db2.gz KHTUAMDESKZKQO-UHFFFAOYSA-N 1 1 322.311 3.384 20 5 DGBDMO C[C@H](NCc1ccc(C[NH3+])cc1F)c1ccc([N+](=O)[O-])cc1 ZINC000593318765 400816695 /nfs/dbraw/zinc/81/66/95/400816695.db2.gz HEBDRLRGARRYJY-NSHDSACASA-N 1 1 303.337 3.043 20 5 DGBDMO Cc1ccc([C@@H](C)NCc2ccc(C[NH3+])cc2F)cc1[N+](=O)[O-] ZINC000593321015 400818415 /nfs/dbraw/zinc/81/84/15/400818415.db2.gz WMAKANFPKAGLEN-GFCCVEGCSA-N 1 1 317.364 3.352 20 5 DGBDMO Cc1c(NC(=O)[C@@H](C)[N@H+](C)CCC(C)C)cccc1[N+](=O)[O-] ZINC000053365426 400777598 /nfs/dbraw/zinc/77/75/98/400777598.db2.gz HWHIJSZVDYSNHV-CYBMUJFWSA-N 1 1 307.394 3.208 20 5 DGBDMO CC[N@@H+](CCOc1ccccc1[N+](=O)[O-])CCC(F)(F)F ZINC000604525340 400784137 /nfs/dbraw/zinc/78/41/37/400784137.db2.gz QMHXSLJYGGLZBC-UHFFFAOYSA-N 1 1 306.284 3.248 20 5 DGBDMO O=[N+]([O-])c1ccccc1OCC[N@@H+]1CCOC2(CCCCC2)C1 ZINC000173852037 400849500 /nfs/dbraw/zinc/84/95/00/400849500.db2.gz ZWISVJSOLAUUBG-UHFFFAOYSA-N 1 1 320.389 3.009 20 5 DGBDMO O=[N+]([O-])c1ccccc1OCC[N@H+]1CCOC2(CCCCC2)C1 ZINC000173852037 400849507 /nfs/dbraw/zinc/84/95/07/400849507.db2.gz ZWISVJSOLAUUBG-UHFFFAOYSA-N 1 1 320.389 3.009 20 5 DGBDMO CC[N@@H+](CCCNc1c([N+](=O)[O-])c(C)nn1C)C1CCCCC1 ZINC000593489722 400864628 /nfs/dbraw/zinc/86/46/28/400864628.db2.gz XNPUYHWNLNKSPW-UHFFFAOYSA-N 1 1 323.441 3.093 20 5 DGBDMO Cc1ccc([N+](=O)[O-])cc1[C@H](C)[NH2+]C[C@@H]1CCCC[N@H+](C)C1 ZINC000599069311 400948182 /nfs/dbraw/zinc/94/81/82/400948182.db2.gz FZGOJRYROVDBEG-GJZGRUSLSA-N 1 1 305.422 3.286 20 5 DGBDMO Cc1ncccc1C[NH2+]Cc1cc([N+](=O)[O-])ccc1OC(F)F ZINC000598996691 400924169 /nfs/dbraw/zinc/92/41/69/400924169.db2.gz YMBDFHQEBFDLLI-UHFFFAOYSA-N 1 1 323.299 3.189 20 5 DGBDMO CCC(=O)c1ccc(NC[C@H]2CCCC[N@@H+](C)C2)c([N+](=O)[O-])c1 ZINC000599139817 400972841 /nfs/dbraw/zinc/97/28/41/400972841.db2.gz QLTSEMNHGYSXSB-CYBMUJFWSA-N 1 1 319.405 3.331 20 5 DGBDMO C[C@@H]1C[N@H+](CCOc2ccccc2[N+](=O)[O-])C[C@H](C)C1(F)F ZINC000599512365 401062746 /nfs/dbraw/zinc/06/27/46/401062746.db2.gz IZYFNFBZNLZTRT-TXEJJXNPSA-N 1 1 314.332 3.197 20 5 DGBDMO O=[N+]([O-])c1ccccc1OCC[N@H+]1CCCC(F)(F)CC1 ZINC000599551509 401075540 /nfs/dbraw/zinc/07/55/40/401075540.db2.gz OIKDRJROCQJKQG-UHFFFAOYSA-N 1 1 300.305 3.095 20 5 DGBDMO Cc1ccccc1OCC[N@H+](C)Cc1cccc([N+](=O)[O-])c1 ZINC000057972712 401039492 /nfs/dbraw/zinc/03/94/92/401039492.db2.gz KWQGAUITALFKBT-UHFFFAOYSA-N 1 1 300.358 3.414 20 5 DGBDMO Cc1cccc(OCC[N@H+](C)Cc2cccc([N+](=O)[O-])c2)c1 ZINC000057971224 401039750 /nfs/dbraw/zinc/03/97/50/401039750.db2.gz DFSFJCBJPXVFNO-UHFFFAOYSA-N 1 1 300.358 3.414 20 5 DGBDMO O=[N+]([O-])c1ccccc1C=CC[N@H+]1CCC[C@@H](c2cc[nH]n2)C1 ZINC000255507022 401104903 /nfs/dbraw/zinc/10/49/03/401104903.db2.gz LYUVAUZQKHHWPQ-OMVNSRBRSA-N 1 1 312.373 3.211 20 5 DGBDMO C[C@@H](C(=O)Nc1cccc([N+](=O)[O-])c1)[N@H+]1CCCC2(CC2)CC1 ZINC000599673791 401108546 /nfs/dbraw/zinc/10/85/46/401108546.db2.gz ZBQPAEADELEIAU-ZDUSSCGKSA-N 1 1 317.389 3.188 20 5 DGBDMO C/C=C\C[C@@H]1CCC[N@H+](CC(=O)Nc2ccccc2[N+](=O)[O-])C1 ZINC000599688361 401116212 /nfs/dbraw/zinc/11/62/12/401116212.db2.gz DFQUSHYGTWIRML-PYLYLYNFSA-N 1 1 317.389 3.212 20 5 DGBDMO C/C=C\C[C@@H]1CCC[N@@H+](CC(=O)Nc2ccccc2[N+](=O)[O-])C1 ZINC000599688361 401116221 /nfs/dbraw/zinc/11/62/21/401116221.db2.gz DFQUSHYGTWIRML-PYLYLYNFSA-N 1 1 317.389 3.212 20 5 DGBDMO CC(=O)c1ccc(N[C@@H]2CCC[N@H+]3CCCC[C@H]23)c([N+](=O)[O-])c1 ZINC000594600552 401125933 /nfs/dbraw/zinc/12/59/33/401125933.db2.gz MBLYXTPKNQISAM-GDBMZVCRSA-N 1 1 317.389 3.226 20 5 DGBDMO Cc1ccc(C[N@H+]2CCC[C@H](OC3CCC3)C2)cc1[N+](=O)[O-] ZINC000594614462 401135960 /nfs/dbraw/zinc/13/59/60/401135960.db2.gz WRNAOSYVEVZNTK-INIZCTEOSA-N 1 1 304.390 3.437 20 5 DGBDMO C[C@H](O)C[N@@H+](Cc1ccc(-c2cccc([N+](=O)[O-])c2)o1)C1CC1 ZINC000594616139 401137728 /nfs/dbraw/zinc/13/77/28/401137728.db2.gz SEVSYUBQRWFCGI-LBPRGKRZSA-N 1 1 316.357 3.200 20 5 DGBDMO CC[N@H+](C/C(C)=C\c1cccc([N+](=O)[O-])c1)C[C@@H]1CCOC1 ZINC000615833511 401161578 /nfs/dbraw/zinc/16/15/78/401161578.db2.gz VASDHWZUSNJYPM-MBSJSRAVSA-N 1 1 304.390 3.357 20 5 DGBDMO COc1ccc(OCC[N@@H+](C)Cc2cccc([N+](=O)[O-])c2)cc1 ZINC000061784321 401164528 /nfs/dbraw/zinc/16/45/28/401164528.db2.gz PIYSRJAKDGOPRD-UHFFFAOYSA-N 1 1 316.357 3.114 20 5 DGBDMO CC[N@@H+](CC(=O)Nc1c(C)cccc1[N+](=O)[O-])C1CCCC1 ZINC000063505296 401197726 /nfs/dbraw/zinc/19/77/26/401197726.db2.gz TZOCDSNHYVGRDM-UHFFFAOYSA-N 1 1 305.378 3.106 20 5 DGBDMO CC(C)(C)[N@H+]1CC[C@@H](NCc2ccc([N+](=O)[O-])cc2Cl)C1 ZINC000594957513 401207066 /nfs/dbraw/zinc/20/70/66/401207066.db2.gz SDLKEWURJJLMFZ-GFCCVEGCSA-N 1 1 311.813 3.211 20 5 DGBDMO Cc1ccc([N+](=O)[O-])c(N2CCC[N@H+](C3CCCC3)CC2)c1 ZINC000088724757 401207140 /nfs/dbraw/zinc/20/71/40/401207140.db2.gz YGLXSYAKNKKTJU-UHFFFAOYSA-N 1 1 303.406 3.358 20 5 DGBDMO Cn1c2ccc(Nc3ncccc3[N+](=O)[O-])cc2[nH+]c1C1CC1 ZINC000089649011 401234160 /nfs/dbraw/zinc/23/41/60/401234160.db2.gz DJBXLCKMGNWPGB-UHFFFAOYSA-N 1 1 309.329 3.498 20 5 DGBDMO CC[N@@H+](C)CCNc1ccc([N+](=O)[O-])c(-c2ccccc2)n1 ZINC000090084576 401254300 /nfs/dbraw/zinc/25/43/00/401254300.db2.gz OUVJQZNJVOKAFP-UHFFFAOYSA-N 1 1 300.362 3.020 20 5 DGBDMO CC[C@@H]1[C@H](C)CC[N@H+]1Cc1cc(OC)c(OC)cc1[N+](=O)[O-] ZINC000187578777 165095670 /nfs/dbraw/zinc/09/56/70/165095670.db2.gz KXWZXCPXHVEPBD-DGCLKSJQSA-N 1 1 308.378 3.232 20 5 DGBDMO CC[C@@H](C)[N@@H+](C)CCNC(=O)Nc1cc(C)c([N+](=O)[O-])cc1C ZINC000191342490 165244681 /nfs/dbraw/zinc/24/46/81/165244681.db2.gz NVUFHJTZWYHEGN-CYBMUJFWSA-N 1 1 322.409 3.063 20 5 DGBDMO C[N@H+](C/C=C/c1ccccc1[N+](=O)[O-])CCC1CCOCC1 ZINC000129627802 196063054 /nfs/dbraw/zinc/06/30/54/196063054.db2.gz CDECEVAQLUYKRQ-GQCTYLIASA-N 1 1 304.390 3.357 20 5 DGBDMO C[N@H+](Cc1ccc([N+](=O)[O-])cc1Cl)C[C@H]1CCCC[C@@H]1O ZINC000182463418 432192762 /nfs/dbraw/zinc/19/27/62/432192762.db2.gz ATTWOMBNNJKKNO-DOMZBBRYSA-N 1 1 312.797 3.231 20 5 DGBDMO Cc1c([C@@H](C)NCC[N@@H+]2CCC[C@@H](C)C2)cccc1[N+](=O)[O-] ZINC000247030414 432193533 /nfs/dbraw/zinc/19/35/33/432193533.db2.gz MFFFKMPVPWPOKG-UKRRQHHQSA-N 1 1 305.422 3.286 20 5 DGBDMO Cc1c([C@@H](C)NCC[N@H+]2CCC[C@@H](C)C2)cccc1[N+](=O)[O-] ZINC000247030414 432193538 /nfs/dbraw/zinc/19/35/38/432193538.db2.gz MFFFKMPVPWPOKG-UKRRQHHQSA-N 1 1 305.422 3.286 20 5 DGBDMO C[C@H](C[N@H+]1CCC[C@@H](C)C1)N[C@H](C)c1ccc([N+](=O)[O-])cc1 ZINC000247166738 432207407 /nfs/dbraw/zinc/20/74/07/432207407.db2.gz UKVGOHOFXIBDSJ-RBSFLKMASA-N 1 1 305.422 3.366 20 5 DGBDMO C[C@H](CN1CCC[C@@H](C)C1)[NH2+][C@H](C)c1ccc([N+](=O)[O-])cc1 ZINC000247166738 432207409 /nfs/dbraw/zinc/20/74/09/432207409.db2.gz UKVGOHOFXIBDSJ-RBSFLKMASA-N 1 1 305.422 3.366 20 5 DGBDMO COc1ccc([N+](=O)[O-])cc1C[N@H+]1CCCC[C@@H](SC)C1 ZINC000134543391 196399879 /nfs/dbraw/zinc/39/98/79/196399879.db2.gz OQNZLWWWJPOVBU-CQSZACIVSA-N 1 1 310.419 3.321 20 5 DGBDMO C[C@H](c1nnc(-c2ccc([N+](=O)[O-])cc2)o1)[N@H+]1CC[C@H](C)C1 ZINC000299666197 229316001 /nfs/dbraw/zinc/31/60/01/229316001.db2.gz RFWHXCPHCCOGRC-WDEREUQCSA-N 1 1 302.334 3.048 20 5 DGBDMO C[C@@H](CO)[N@H+](Cc1ccc([N+](=O)[O-])cc1Cl)CC1CCC1 ZINC000348286281 264382710 /nfs/dbraw/zinc/38/27/10/264382710.db2.gz YHEKGBQHKHLSNJ-NSHDSACASA-N 1 1 312.797 3.231 20 5 DGBDMO CCOC1CC(C[N@@H+](Cc2ccccc2[N+](=O)[O-])C2CC2)C1 ZINC000351762065 264806930 /nfs/dbraw/zinc/80/69/30/264806930.db2.gz RFTFPIBAWMAHGR-UHFFFAOYSA-N 1 1 304.390 3.374 20 5 DGBDMO Cc1ccc([N+](=O)[O-])cc1[C@H](C)[N@H+]1CCC[C@H](n2cccn2)C1 ZINC000352400845 265033127 /nfs/dbraw/zinc/03/31/27/265033127.db2.gz VDCRGGZUQLVLIA-HOCLYGCPSA-N 1 1 314.389 3.498 20 5 DGBDMO CCO[C@H]1C[C@@H]([N@@H+](C)Cc2ccc([N+](=O)[O-])cc2F)C1(C)C ZINC000352613841 265106312 /nfs/dbraw/zinc/10/63/12/265106312.db2.gz ZIWOMVTZYJCASD-CABCVRRESA-N 1 1 310.369 3.369 20 5 DGBDMO C[C@@H](O)C[N@@H+](Cc1ccc([N+](=O)[O-])cc1F)C1CCCCC1 ZINC000352715840 265138505 /nfs/dbraw/zinc/13/85/05/265138505.db2.gz GOIWGFQRBDPCEM-GFCCVEGCSA-N 1 1 310.369 3.249 20 5 DGBDMO CCC[N@H+]1CCC[C@@H]1CNC/C=C\c1ccccc1[N+](=O)[O-] ZINC000353142986 265317040 /nfs/dbraw/zinc/31/70/40/265317040.db2.gz SANVONVGEIFPKL-KQQSKNTNSA-N 1 1 303.406 3.072 20 5 DGBDMO CCCN1CCC[C@@H]1C[NH2+]C/C=C\c1ccccc1[N+](=O)[O-] ZINC000353142986 265317044 /nfs/dbraw/zinc/31/70/44/265317044.db2.gz SANVONVGEIFPKL-KQQSKNTNSA-N 1 1 303.406 3.072 20 5 DGBDMO O=[N+]([O-])c1ccc(C[NH2+]Cc2ccc3cc[nH]c3n2)c(Cl)c1 ZINC000353218153 265348483 /nfs/dbraw/zinc/34/84/83/265348483.db2.gz JGCSYBINEVHWJJ-UHFFFAOYSA-N 1 1 316.748 3.414 20 5 DGBDMO CCO[C@@H]1C[C@@H]([N@H+](C)Cc2c(F)cccc2[N+](=O)[O-])C1(C)C ZINC000354224711 265710469 /nfs/dbraw/zinc/71/04/69/265710469.db2.gz OUSYZACQGXRWCN-HUUCEWRRSA-N 1 1 310.369 3.369 20 5 DGBDMO CCO[C@@H]1C[C@@H]([N@@H+](C)Cc2c(F)cccc2[N+](=O)[O-])C1(C)C ZINC000354224711 265710470 /nfs/dbraw/zinc/71/04/70/265710470.db2.gz OUSYZACQGXRWCN-HUUCEWRRSA-N 1 1 310.369 3.369 20 5 DGBDMO C[N@@H+](Cc1ccc(-c2ccc([N+](=O)[O-])cc2)s1)C1CC(O)C1 ZINC000355369243 266052792 /nfs/dbraw/zinc/05/27/92/266052792.db2.gz QKBBVAZRDUCFPG-UHFFFAOYSA-N 1 1 318.398 3.278 20 5 DGBDMO CC1=CC[N@H+]([C@H](C)c2nnc(-c3ccc([N+](=O)[O-])cc3)o2)CC1 ZINC000270328315 432232413 /nfs/dbraw/zinc/23/24/13/432232413.db2.gz LHPWTTPJSYRUCO-GFCCVEGCSA-N 1 1 314.345 3.358 20 5 DGBDMO CC1=CC[N@@H+]([C@H](C)c2nnc(-c3ccc([N+](=O)[O-])cc3)o2)CC1 ZINC000270328315 432232416 /nfs/dbraw/zinc/23/24/16/432232416.db2.gz LHPWTTPJSYRUCO-GFCCVEGCSA-N 1 1 314.345 3.358 20 5 DGBDMO Cn1cnc([N+](=O)[O-])c1C[N@@H+]1CCCC[C@H]1c1ccccc1 ZINC000368841382 271213575 /nfs/dbraw/zinc/21/35/75/271213575.db2.gz FAYBZDUFGXSIQT-AWEZNQCLSA-N 1 1 300.362 3.056 20 5 DGBDMO Cn1cnc([N+](=O)[O-])c1C[N@H+]1CCCC[C@H]1c1ccccc1 ZINC000368841382 271213579 /nfs/dbraw/zinc/21/35/79/271213579.db2.gz FAYBZDUFGXSIQT-AWEZNQCLSA-N 1 1 300.362 3.056 20 5 DGBDMO COC[C@H]1CC[N@H+]1Cc1cc(=O)oc2ccc3ccccc3c12 ZINC000293689173 274052060 /nfs/dbraw/zinc/05/20/60/274052060.db2.gz WFNLIBXNGAFMQY-OAHLLOKOSA-N 1 1 309.365 3.167 20 5 DGBDMO O=c1cc(C[N@@H+]2CCC[C@@H](O)CC2)c2c(ccc3ccccc32)o1 ZINC000292976642 275043739 /nfs/dbraw/zinc/04/37/39/275043739.db2.gz AYUBFQBBXQDSLK-MRXNPFEDSA-N 1 1 323.392 3.293 20 5 DGBDMO CC1(C)C[C@@H](NC[C@@]2(C)CCC[NH2+]C2)c2cc([N+](=O)[O-])ccc21 ZINC000423350992 275860852 /nfs/dbraw/zinc/86/08/52/275860852.db2.gz YIQYDOGPWVUVJF-AEFFLSMTSA-N 1 1 317.433 3.297 20 5 DGBDMO CCOc1ccc([N+](=O)[O-])cc1C[N@H+]1CCSCC[C@@H]1C ZINC000191816059 276377054 /nfs/dbraw/zinc/37/70/54/276377054.db2.gz PDHUJNVLNMBYFL-LBPRGKRZSA-N 1 1 310.419 3.321 20 5 DGBDMO C[C@@H]1[C@@H](C)CCC[N@H+]1Cc1cc([N+](=O)[O-])cc2c1OCOC2 ZINC000172863313 279078956 /nfs/dbraw/zinc/07/89/56/279078956.db2.gz IIURCGCEVILPDR-NWDGAFQWSA-N 1 1 306.362 3.082 20 5 DGBDMO CC(C)C[C@H](CN)[NH2+][C@@H]1CC(C)(C)c2ccc([N+](=O)[O-])cc21 ZINC000423272556 279142300 /nfs/dbraw/zinc/14/23/00/279142300.db2.gz ZDSCLTWEQJVAER-MLGOLLRUSA-N 1 1 305.422 3.280 20 5 DGBDMO C[C@H](Cc1ccccc1[N+](=O)[O-])[NH2+]C1CCN(C2CCC2)CC1 ZINC000449096288 279381984 /nfs/dbraw/zinc/38/19/84/279381984.db2.gz GEIKLDCSPRHAMV-CQSZACIVSA-N 1 1 317.433 3.132 20 5 DGBDMO CC[C@@H](C)C[N@@H+](C)CCC(=O)Nc1ccc([N+](=O)[O-])cc1C ZINC000111253694 431199825 /nfs/dbraw/zinc/19/98/25/431199825.db2.gz PCNACHYBHPKWOA-GFCCVEGCSA-N 1 1 307.394 3.210 20 5 DGBDMO O=[N+]([O-])c1ccc(CC[N@@H+]2CCC[C@@H]2CN2CCCCC2)cc1 ZINC000069033087 431157971 /nfs/dbraw/zinc/15/79/71/431157971.db2.gz OOWANPADIINILI-GOSISDBHSA-N 1 1 317.433 3.088 20 5 DGBDMO O=[N+]([O-])c1ccc(CC[N@H+]2CCC[C@@H]2CN2CCCCC2)cc1 ZINC000069033087 431157977 /nfs/dbraw/zinc/15/79/77/431157977.db2.gz OOWANPADIINILI-GOSISDBHSA-N 1 1 317.433 3.088 20 5 DGBDMO CC[C@]1(C)CCC[N@@H+](CCC(=O)Nc2ccccc2[N+](=O)[O-])C1 ZINC000072803151 431352062 /nfs/dbraw/zinc/35/20/62/431352062.db2.gz JPDCPWQFYGAIDI-QGZVFWFLSA-N 1 1 319.405 3.436 20 5 DGBDMO C[N@@H+](CCOc1ccccc1[N+](=O)[O-])CCc1cccs1 ZINC000075966621 431509985 /nfs/dbraw/zinc/50/99/85/431509985.db2.gz SLXBUGQXYPGIKP-UHFFFAOYSA-N 1 1 306.387 3.210 20 5 DGBDMO CC[C@H]1CCC[N@@H+](CC(=O)Nc2ccccc2[N+](=O)[O-])CC1 ZINC000117344854 431557652 /nfs/dbraw/zinc/55/76/52/431557652.db2.gz LQDITFMQNSHDAI-ZDUSSCGKSA-N 1 1 305.378 3.045 20 5 DGBDMO O=[N+]([O-])c1cccc(F)c1N1CC[C@H]2[C@H](CCC[N@H+]2C2CC2)C1 ZINC000286357469 280372795 /nfs/dbraw/zinc/37/27/95/280372795.db2.gz WXGNTCJHSKIWJP-DOMZBBRYSA-N 1 1 319.380 3.187 20 5 DGBDMO O=[N+]([O-])c1cnn(CC[N@H+]2CCCCC[C@@H]2c2ccccc2)c1 ZINC000174823508 280383895 /nfs/dbraw/zinc/38/38/95/280383895.db2.gz OTYCGFZFQHFTRT-QGZVFWFLSA-N 1 1 314.389 3.409 20 5 DGBDMO CC[C@H]1CCCC[N@H+]1Cc1nnc(-c2ccc([N+](=O)[O-])cc2)o1 ZINC000078281841 431654036 /nfs/dbraw/zinc/65/40/36/431654036.db2.gz QTTXDTTUHIXYCJ-ZDUSSCGKSA-N 1 1 316.361 3.409 20 5 DGBDMO C[C@@H]1CCC[C@H]([N@@H+](C)CC(=O)N(C)c2ccc([N+](=O)[O-])cc2)C1 ZINC000026476945 431674494 /nfs/dbraw/zinc/67/44/94/431674494.db2.gz NEHPPDBJGCMINC-CJNGLKHVSA-N 1 1 319.405 3.068 20 5 DGBDMO Cc1c([C@H](C)[NH2+]Cc2cc([N+](=O)[O-])ccc2Cl)cnn1C ZINC000037167588 431845049 /nfs/dbraw/zinc/84/50/49/431845049.db2.gz IQPHOPDVLMCZOR-VIFPVBQESA-N 1 1 308.769 3.141 20 5 DGBDMO Cc1c(NC(=O)CC[N@@H+]2[C@H](C)CC[C@@H]2C)cccc1[N+](=O)[O-] ZINC000123437810 431864913 /nfs/dbraw/zinc/86/49/13/431864913.db2.gz QOLWFHSWAUBACY-TXEJJXNPSA-N 1 1 305.378 3.105 20 5 DGBDMO C[C@@H]1CCC[C@H](C)C[N@@H+]1CC(=O)N(C)c1ccc([N+](=O)[O-])cc1 ZINC000125228793 431918547 /nfs/dbraw/zinc/91/85/47/431918547.db2.gz VREGSINDIHMTIR-UONOGXRCSA-N 1 1 319.405 3.068 20 5 DGBDMO CC(C)[N@@H+](CCOc1cccc([N+](=O)[O-])c1)Cc1cccnc1 ZINC000125652477 431932496 /nfs/dbraw/zinc/93/24/96/431932496.db2.gz ABXTXYQBQSZBDJ-UHFFFAOYSA-N 1 1 315.373 3.279 20 5 DGBDMO CC[N@H+](Cc1cc([N+](=O)[O-])ccc1OC(F)F)CC1CC1 ZINC000125678963 431933641 /nfs/dbraw/zinc/93/36/41/431933641.db2.gz ZUHIWOBFRIQKNE-UHFFFAOYSA-N 1 1 300.305 3.428 20 5 DGBDMO COCC[N@H+](Cc1ccc(C)o1)Cc1cccc([N+](=O)[O-])c1 ZINC000125743317 431934072 /nfs/dbraw/zinc/93/40/72/431934072.db2.gz PEQPRDJUXVTJHU-UHFFFAOYSA-N 1 1 304.346 3.145 20 5 DGBDMO COCC[N@@H+](Cc1ccc(C)o1)Cc1cccc([N+](=O)[O-])c1 ZINC000125743317 431934074 /nfs/dbraw/zinc/93/40/74/431934074.db2.gz PEQPRDJUXVTJHU-UHFFFAOYSA-N 1 1 304.346 3.145 20 5 DGBDMO C[C@@H]1C[N@@H+](Cc2ccc(-c3ccccc3[N+](=O)[O-])o2)C[C@H](C)O1 ZINC000126980463 431962104 /nfs/dbraw/zinc/96/21/04/431962104.db2.gz HTLOUZXRWQHCPB-BETUJISGSA-N 1 1 316.357 3.464 20 5 DGBDMO C[C@@H]1C[N@H+](Cc2ccc(-c3ccccc3[N+](=O)[O-])o2)C[C@H](C)O1 ZINC000126980463 431962107 /nfs/dbraw/zinc/96/21/07/431962107.db2.gz HTLOUZXRWQHCPB-BETUJISGSA-N 1 1 316.357 3.464 20 5 DGBDMO CCOc1ncccc1C[NH2+][C@@H](C)c1cccc([N+](=O)[O-])c1 ZINC000173313886 432272512 /nfs/dbraw/zinc/27/25/12/432272512.db2.gz OPGHXIACVPXAGY-LBPRGKRZSA-N 1 1 301.346 3.239 20 5 DGBDMO O=[N+]([O-])c1cccc(C[N@H+]2CC[C@H](Oc3cccc(F)c3)C2)c1 ZINC000183355179 432284964 /nfs/dbraw/zinc/28/49/64/432284964.db2.gz GPSJFNAEXFQWRW-KRWDZBQOSA-N 1 1 316.332 3.387 20 5 DGBDMO CCC1(CO)CC[NH+](Cc2cc([N+](=O)[O-])ccc2Cl)CC1 ZINC000270925438 432303750 /nfs/dbraw/zinc/30/37/50/432303750.db2.gz SKUZWISQZKKMDA-UHFFFAOYSA-N 1 1 312.797 3.233 20 5 DGBDMO COCc1ccc(C[N@H+](Cc2ccc([N+](=O)[O-])cc2)C2CC2)o1 ZINC000271064455 432325547 /nfs/dbraw/zinc/32/55/47/432325547.db2.gz ILWDDANLFLJJCH-UHFFFAOYSA-N 1 1 316.357 3.499 20 5 DGBDMO COCc1ccc(C[N@@H+](Cc2ccc([N+](=O)[O-])cc2)C2CC2)o1 ZINC000271064455 432325555 /nfs/dbraw/zinc/32/55/55/432325555.db2.gz ILWDDANLFLJJCH-UHFFFAOYSA-N 1 1 316.357 3.499 20 5 DGBDMO CC[C@@]1(CO)CCC[N@H+]([C@H](C)c2cc([N+](=O)[O-])ccc2C)C1 ZINC000249593921 432352517 /nfs/dbraw/zinc/35/25/17/432352517.db2.gz WFJOLTVUKLTTJV-RHSMWYFYSA-N 1 1 306.406 3.449 20 5 DGBDMO CC[C@@H]1C[N@@H+](Cc2cc(=O)oc3ccc4ccccc4c23)C[C@@H]1O ZINC000270932689 432306130 /nfs/dbraw/zinc/30/61/30/432306130.db2.gz QJTLJEOQOUCSGF-DYVFJYSZSA-N 1 1 323.392 3.149 20 5 DGBDMO COc1cc(C[NH2+][C@@H](C)c2cccc(O)c2)c([N+](=O)[O-])cc1F ZINC000184306563 432378445 /nfs/dbraw/zinc/37/84/45/432378445.db2.gz UYRKVFZVMZBBMT-JTQLQIEISA-N 1 1 320.320 3.299 20 5 DGBDMO CCC[N@@H+](C)C[C@@H]1CCN(c2ccc([N+](=O)[O-])c(OCC)c2)C1 ZINC000174917414 432378803 /nfs/dbraw/zinc/37/88/03/432378803.db2.gz DCFFXBVZBFBDSL-AWEZNQCLSA-N 1 1 321.421 3.162 20 5 DGBDMO CC[C@H]1CC[C@@H](C)[N@H+]1Cc1nc(-c2ccc([N+](=O)[O-])cc2)no1 ZINC000271469501 432401646 /nfs/dbraw/zinc/40/16/46/432401646.db2.gz FYCKZVSMUHWYDQ-YPMHNXCESA-N 1 1 316.361 3.408 20 5 DGBDMO CCC[N@@H+]1CC[C@@H](CN[C@@H]2CCCc3ccc([N+](=O)[O-])cc32)C1 ZINC000192720833 432405219 /nfs/dbraw/zinc/40/52/19/432405219.db2.gz ZVVNQBWJLWCNMK-KBXCAEBGSA-N 1 1 317.433 3.294 20 5 DGBDMO CCC[N@H+]1CC[C@@H](CN[C@@H]2CCCc3ccc([N+](=O)[O-])cc32)C1 ZINC000192720833 432405222 /nfs/dbraw/zinc/40/52/22/432405222.db2.gz ZVVNQBWJLWCNMK-KBXCAEBGSA-N 1 1 317.433 3.294 20 5 DGBDMO CC(C)[N@@H+]1C[C@@H](C)[C@@H](N[C@@H]2CCCc3ccc([N+](=O)[O-])cc32)C1 ZINC000193018483 432440909 /nfs/dbraw/zinc/44/09/09/432440909.db2.gz GZXPFINDAJCZQM-XWIAVFTESA-N 1 1 317.433 3.291 20 5 DGBDMO CC(C)[N@H+]1C[C@@H](C)[C@@H](N[C@@H]2CCCc3ccc([N+](=O)[O-])cc32)C1 ZINC000193018483 432440913 /nfs/dbraw/zinc/44/09/13/432440913.db2.gz GZXPFINDAJCZQM-XWIAVFTESA-N 1 1 317.433 3.291 20 5 DGBDMO CCOC[C@@H]1CCC[N@@H+](Cc2ccc(Cl)c([N+](=O)[O-])c2)C1 ZINC000153931102 432458347 /nfs/dbraw/zinc/45/83/47/432458347.db2.gz OOQZGWGYWOWZGN-CYBMUJFWSA-N 1 1 312.797 3.497 20 5 DGBDMO CCOC[C@@H]1CCC[N@@H+](Cc2cc([N+](=O)[O-])ccc2OCC)C1 ZINC000175233983 432412895 /nfs/dbraw/zinc/41/28/95/432412895.db2.gz LBVHGQZZERHSBV-CQSZACIVSA-N 1 1 322.405 3.242 20 5 DGBDMO CC(C)[N@H+]1CCC[C@@H](CNc2ncc(Cl)cc2[N+](=O)[O-])C1 ZINC000153645194 432427828 /nfs/dbraw/zinc/42/78/28/432427828.db2.gz QAXAMCWVVWMNRK-NSHDSACASA-N 1 1 312.801 3.176 20 5 DGBDMO Cc1ccc([C@@H]2C[C@@H](C)CC[N@H+]2CCn2ccc([N+](=O)[O-])n2)o1 ZINC000176286492 432506923 /nfs/dbraw/zinc/50/69/23/432506923.db2.gz QJZPFBJZPYNYED-JSGCOSHPSA-N 1 1 318.377 3.166 20 5 DGBDMO O=[N+]([O-])c1cccc(-c2ccc(C[N@@H+]3CCC[C@H](CO)C3)o2)c1 ZINC000154587333 432507507 /nfs/dbraw/zinc/50/75/07/432507507.db2.gz LEJKDDFVQFTSCF-ZDUSSCGKSA-N 1 1 316.357 3.059 20 5 DGBDMO CC[N@H+]1CCC[C@@H]1CNc1ccc2ncccc2c1[N+](=O)[O-] ZINC000193333782 432467506 /nfs/dbraw/zinc/46/75/06/432467506.db2.gz XFJKAFZYIDKTMN-GFCCVEGCSA-N 1 1 300.362 3.039 20 5 DGBDMO COCC[C@@H]([NH2+]Cc1ccc(C)c([N+](=O)[O-])c1)c1ccco1 ZINC000272533335 432519950 /nfs/dbraw/zinc/51/99/50/432519950.db2.gz KGJJBBPJPJXIIH-CQSZACIVSA-N 1 1 304.346 3.364 20 5 DGBDMO COCC1=CC[N@H+](Cc2cc([N+](=O)[O-])ccc2OC(C)C)CC1 ZINC000185868570 432540410 /nfs/dbraw/zinc/54/04/10/432540410.db2.gz DAIXLJYCSWDORE-UHFFFAOYSA-N 1 1 320.389 3.161 20 5 DGBDMO COCC1=CC[N@@H+](Cc2cc([N+](=O)[O-])ccc2OC(C)C)CC1 ZINC000185868570 432540415 /nfs/dbraw/zinc/54/04/15/432540415.db2.gz DAIXLJYCSWDORE-UHFFFAOYSA-N 1 1 320.389 3.161 20 5 DGBDMO Cc1c([C@@H](C)[NH2+][C@H](CCO)c2ccco2)cccc1[N+](=O)[O-] ZINC000186556339 432607924 /nfs/dbraw/zinc/60/79/24/432607924.db2.gz NAAIWPJQMAWHHO-TZMCWYRMSA-N 1 1 304.346 3.271 20 5 DGBDMO CC(C)Oc1ccc([N+](=O)[O-])cc1C[N@@H+](C)CC1CCOCC1 ZINC000155984944 432583838 /nfs/dbraw/zinc/58/38/38/432583838.db2.gz YALQYSGTNTXWQY-UHFFFAOYSA-N 1 1 322.405 3.240 20 5 DGBDMO C[C@H](NC[C@H](C)[N@@H+]1CCC[C@@H](C)C1)c1ccc([N+](=O)[O-])cc1 ZINC000155977740 432584138 /nfs/dbraw/zinc/58/41/38/432584138.db2.gz VZJNBZBRPMORJD-ILXRZTDVSA-N 1 1 305.422 3.366 20 5 DGBDMO C[C@H](NC[C@H](C)[N@H+]1CCC[C@@H](C)C1)c1ccc([N+](=O)[O-])cc1 ZINC000155977740 432584141 /nfs/dbraw/zinc/58/41/41/432584141.db2.gz VZJNBZBRPMORJD-ILXRZTDVSA-N 1 1 305.422 3.366 20 5 DGBDMO CCOC(=O)[C@]1(C(C)C)CC[N@@H+](Cc2ccccc2[N+](=O)[O-])C1 ZINC000194876018 432584392 /nfs/dbraw/zinc/58/43/92/432584392.db2.gz XLIPEZRMDZNDCE-QGZVFWFLSA-N 1 1 320.389 3.006 20 5 DGBDMO CC[C@H]([NH2+][C@H](CCO)c1ccco1)c1cccc([N+](=O)[O-])c1 ZINC000186520375 432604165 /nfs/dbraw/zinc/60/41/65/432604165.db2.gz UYNQHCFAMCKSLX-LSDHHAIUSA-N 1 1 304.346 3.352 20 5 DGBDMO COc1cc(C[N@@H+](C)C2CCCCC2)c([N+](=O)[O-])cc1OC ZINC000157500933 432623060 /nfs/dbraw/zinc/62/30/60/432623060.db2.gz TYASITJRXOCWJB-UHFFFAOYSA-N 1 1 308.378 3.377 20 5 DGBDMO C[N@@H+](CCOc1ccc([N+](=O)[O-])cc1)Cc1cccc(F)c1 ZINC000195718766 432633791 /nfs/dbraw/zinc/63/37/91/432633791.db2.gz AWGNBCQCIOFHND-UHFFFAOYSA-N 1 1 304.321 3.245 20 5 DGBDMO C[C@H]1C[N@@H+](C)CC[C@H]1N(C)Cc1cc([N+](=O)[O-])ccc1Cl ZINC000275065231 432723109 /nfs/dbraw/zinc/72/31/09/432723109.db2.gz JMIQSDMJZUBISM-XHDPSFHLSA-N 1 1 311.813 3.020 20 5 DGBDMO CCC[N@@H+](C)C[C@H]1CCN([C@@H](C)c2ccccc2[N+](=O)[O-])C1 ZINC000266849574 432791914 /nfs/dbraw/zinc/79/19/14/432791914.db2.gz BZSKUDPOHLGWCO-LSDHHAIUSA-N 1 1 305.422 3.320 20 5 DGBDMO C[C@@H]([NH2+]C1CCN(C2CCC2)CC1)c1cccc([N+](=O)[O-])c1 ZINC000266899114 432795534 /nfs/dbraw/zinc/79/55/34/432795534.db2.gz SZBIQVZPCARKFC-CYBMUJFWSA-N 1 1 303.406 3.262 20 5 DGBDMO CN(C)c1cccc(C[N@@H+](C)Cc2ccc([N+](=O)[O-])c(F)c2)c1 ZINC000276345668 432799287 /nfs/dbraw/zinc/79/92/87/432799287.db2.gz VEUDENCUSYWGTJ-UHFFFAOYSA-N 1 1 317.364 3.432 20 5 DGBDMO Cc1ccc([N+](=O)[O-])cc1[C@H](C)[N@H+]1CC[C@H]2OCCC[C@H]2C1 ZINC000245517669 432838900 /nfs/dbraw/zinc/83/89/00/432838900.db2.gz HBXITKKIUVVVHM-GRDNDAEWSA-N 1 1 304.390 3.465 20 5 DGBDMO O=[N+]([O-])c1cccc(C[N@@H+](C[C@@H]2CCCO2)[C@H]2CCSC2)c1 ZINC000245875564 432867278 /nfs/dbraw/zinc/86/72/78/432867278.db2.gz MOTZZISHXXDHPU-HOTGVXAUSA-N 1 1 322.430 3.081 20 5 DGBDMO COc1ccc(C[NH2+]Cc2cccc(C)c2F)cc1[N+](=O)[O-] ZINC000296322861 432896015 /nfs/dbraw/zinc/89/60/15/432896015.db2.gz HFUZZWXDCJHQEG-UHFFFAOYSA-N 1 1 304.321 3.341 20 5 DGBDMO O=[N+]([O-])c1ccccc1/C=C/C[N@@H+]1CCO[C@H]2CCCC[C@H]21 ZINC000245543406 432842228 /nfs/dbraw/zinc/84/22/28/432842228.db2.gz RAIVQXGSFKFTDO-PRPGUUAMSA-N 1 1 302.374 3.251 20 5 DGBDMO O=[N+]([O-])c1ccccc1/C=C/C[N@H+]1CCO[C@H]2CCCC[C@H]21 ZINC000245543406 432842230 /nfs/dbraw/zinc/84/22/30/432842230.db2.gz RAIVQXGSFKFTDO-PRPGUUAMSA-N 1 1 302.374 3.251 20 5 DGBDMO CC(C)c1ccc(CN[C@@H]2CC[N@@H+](C)[C@H](C)C2)cc1[N+](=O)[O-] ZINC000330680311 432925177 /nfs/dbraw/zinc/92/51/77/432925177.db2.gz YKDGLYRCUKRESL-UKRRQHHQSA-N 1 1 305.422 3.291 20 5 DGBDMO CC(C)c1ccc(C[NH2+][C@@H]2CCN(C)[C@H](C)C2)cc1[N+](=O)[O-] ZINC000330680311 432925180 /nfs/dbraw/zinc/92/51/80/432925180.db2.gz YKDGLYRCUKRESL-UKRRQHHQSA-N 1 1 305.422 3.291 20 5 DGBDMO CCOc1cc(C[N@H+]2CCSC(C)(C)C2)ccc1[N+](=O)[O-] ZINC000331155277 432932672 /nfs/dbraw/zinc/93/26/72/432932672.db2.gz JNHCSPHTXUYGAT-UHFFFAOYSA-N 1 1 310.419 3.321 20 5 DGBDMO Cc1ccc(NC(=O)CC[N@@H+]2CCCC[C@H]2C)cc1[N+](=O)[O-] ZINC000330441838 432910420 /nfs/dbraw/zinc/91/04/20/432910420.db2.gz DZZUGDAWUVTLBZ-CYBMUJFWSA-N 1 1 305.378 3.106 20 5 DGBDMO Cc1cccc([N+](=O)[O-])c1NC(=O)C[N@H+]1CCC[C@@H]1C(C)(C)C ZINC000330617489 432920487 /nfs/dbraw/zinc/92/04/87/432920487.db2.gz GBIAYMNDJCBFMP-CQSZACIVSA-N 1 1 319.405 3.352 20 5 DGBDMO Cc1cnn([C@@H]2CC[N@H+]([C@@H](C)c3cc([N+](=O)[O-])ccc3C)C2)c1 ZINC000290033929 432982113 /nfs/dbraw/zinc/98/21/13/432982113.db2.gz VZLVHGWRQSCZLK-GOEBONIOSA-N 1 1 314.389 3.416 20 5 DGBDMO C[C@H](c1ccccc1[N+](=O)[O-])[NH+]1CCC(c2ccn[nH]2)CC1 ZINC000332444236 433006973 /nfs/dbraw/zinc/00/69/73/433006973.db2.gz JHYIETALJXHARB-GFCCVEGCSA-N 1 1 300.362 3.259 20 5 DGBDMO CC(=O)c1cc(NC[C@H](C)[N@H+]2CCC[C@H](C)C2)ccc1[N+](=O)[O-] ZINC000341540089 433123437 /nfs/dbraw/zinc/12/34/37/433123437.db2.gz YSSNBYRVTLDUNB-STQMWFEESA-N 1 1 319.405 3.330 20 5 DGBDMO CCCN1CCC([NH2+][C@H]2CCCc3ccc([N+](=O)[O-])cc32)CC1 ZINC000447515028 433209266 /nfs/dbraw/zinc/20/92/66/433209266.db2.gz JBKYOXVMTFYSKF-SFHVURJKSA-N 1 1 317.433 3.436 20 5 DGBDMO Cc1ccc([N+](=O)[O-])c(N[C@H](C)C[N@@H+](C)Cc2ccccc2)n1 ZINC000336698038 433177167 /nfs/dbraw/zinc/17/71/67/433177167.db2.gz CIZIOWXSEHEPRL-CQSZACIVSA-N 1 1 314.389 3.231 20 5 DGBDMO CC[N@H+](Cc1nc(-c2cccc([N+](=O)[O-])c2)no1)CC1CCC1 ZINC000361483069 433201573 /nfs/dbraw/zinc/20/15/73/433201573.db2.gz BXGSTSCFHBLMAU-UHFFFAOYSA-N 1 1 316.361 3.267 20 5 DGBDMO C[C@@H]1C[C@H](N[C@H]2CCCc3ccc([N+](=O)[O-])cc32)CC[N@@H+]1C ZINC000447546468 433220720 /nfs/dbraw/zinc/22/07/20/433220720.db2.gz WBZVJYBEEINEKY-MRRJBJDNSA-N 1 1 303.406 3.045 20 5 DGBDMO C[C@@H]1C[C@H](N[C@H]2CCCc3ccc([N+](=O)[O-])cc32)CC[N@H+]1C ZINC000447546468 433220728 /nfs/dbraw/zinc/22/07/28/433220728.db2.gz WBZVJYBEEINEKY-MRRJBJDNSA-N 1 1 303.406 3.045 20 5 DGBDMO CC(C)C[N@@H+](C)Cc1ccc(Br)cc1[N+](=O)[O-] ZINC000425402182 433223510 /nfs/dbraw/zinc/22/35/10/433223510.db2.gz RCEZUDNPYQAXJS-UHFFFAOYSA-N 1 1 301.184 3.445 20 5 DGBDMO CC(C)[C@@H](C)[N@@H+](C)Cc1nc(-c2ccc([N+](=O)[O-])cc2)no1 ZINC000298780306 433243338 /nfs/dbraw/zinc/24/33/38/433243338.db2.gz XIELBYCVXOAGCY-LLVKDONJSA-N 1 1 304.350 3.121 20 5 DGBDMO CO[C@H](C[N@H+]1CCC[C@H](c2ccc([N+](=O)[O-])cc2)C1)C1CC1 ZINC000425466643 433253757 /nfs/dbraw/zinc/25/37/57/433253757.db2.gz BDOCTYBLOWPMGH-DOTOQJQBSA-N 1 1 304.390 3.199 20 5 DGBDMO CC[N@H+]1C[C@H](C)N(c2ccc([N+](=O)[O-])c3ncccc23)C[C@@H]1C ZINC000413216670 433267670 /nfs/dbraw/zinc/26/76/70/433267670.db2.gz UNGUURAPBANKLH-STQMWFEESA-N 1 1 314.389 3.062 20 5 DGBDMO CC(C)[N@@H+](CCn1cc([N+](=O)[O-])cn1)[C@@H](C)c1ccsc1 ZINC000421018792 433390796 /nfs/dbraw/zinc/39/07/96/433390796.db2.gz XADNNUQICFUEQC-LBPRGKRZSA-N 1 1 308.407 3.324 20 5 DGBDMO C[C@H]1[C@@H](CO)CC[N@H+]1Cc1ccc(-c2ccc([N+](=O)[O-])cc2)o1 ZINC000425971561 433390932 /nfs/dbraw/zinc/39/09/32/433390932.db2.gz QKVGBIIYKSNRSV-GXTWGEPZSA-N 1 1 316.357 3.058 20 5 DGBDMO CC1(C)[C@H](c2ccccc2)CC[N@H+]1CCn1cc([N+](=O)[O-])cn1 ZINC000421022528 433393054 /nfs/dbraw/zinc/39/30/54/433393054.db2.gz QMSRLTMBNRFUSQ-INIZCTEOSA-N 1 1 314.389 3.059 20 5 DGBDMO Cn1cnc([N+](=O)[O-])c1C[NH2+]C(C)(C)c1ccc(Cl)cc1 ZINC000342069182 433448890 /nfs/dbraw/zinc/44/88/90/433448890.db2.gz QOTFQKCXKCLJPC-UHFFFAOYSA-N 1 1 308.769 3.007 20 5 DGBDMO C[C@H](C[N@H+]1CCC[C@H](C)C1)Nc1ncc([N+](=O)[O-])cc1Cl ZINC000301248417 433466492 /nfs/dbraw/zinc/46/64/92/433466492.db2.gz AGOJLLWKMPJJSK-WDEREUQCSA-N 1 1 312.801 3.176 20 5 DGBDMO C[C@@H](C[N@H+]1CCC[C@@H](C)C1)Nc1ncc([N+](=O)[O-])cc1Cl ZINC000301248415 433469737 /nfs/dbraw/zinc/46/97/37/433469737.db2.gz AGOJLLWKMPJJSK-MNOVXSKESA-N 1 1 312.801 3.176 20 5 DGBDMO Cn1cc(C[N@@H+](C)[C@@H]2CC2(C)C)c(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000426551059 433527921 /nfs/dbraw/zinc/52/79/21/433527921.db2.gz DVIZCJWCJLSHME-OAHLLOKOSA-N 1 1 314.389 3.226 20 5 DGBDMO C[N@H+](Cc1cc([N+](=O)[O-])ccc1OC(F)F)[C@@H]1CC1(C)C ZINC000426570689 433530985 /nfs/dbraw/zinc/53/09/85/433530985.db2.gz NXMSBNVMNYGAJB-GFCCVEGCSA-N 1 1 300.305 3.427 20 5 DGBDMO C[N@@H+](Cc1cc([N+](=O)[O-])ccc1OC(F)F)[C@@H]1CC1(C)C ZINC000426570689 433530997 /nfs/dbraw/zinc/53/09/97/433530997.db2.gz NXMSBNVMNYGAJB-GFCCVEGCSA-N 1 1 300.305 3.427 20 5 DGBDMO CC[C@H]1CCCC[N@H+]1CCNc1ncc([N+](=O)[O-])cc1Cl ZINC000301281420 433486313 /nfs/dbraw/zinc/48/63/13/433486313.db2.gz OLVGPPTUOROFAN-NSHDSACASA-N 1 1 312.801 3.320 20 5 DGBDMO Cc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@H+]1CC[C@@H]2CCC[C@H]21 ZINC000426453174 433501576 /nfs/dbraw/zinc/50/15/76/433501576.db2.gz CZTHZTYIVPXWFN-XJKSGUPXSA-N 1 1 317.389 3.106 20 5 DGBDMO CC[N@@H+](C)Cc1cccc(CNc2nccc(C)c2[N+](=O)[O-])c1 ZINC000301309791 433503507 /nfs/dbraw/zinc/50/35/07/433503507.db2.gz YDAAAPKHMUREJJ-UHFFFAOYSA-N 1 1 314.389 3.362 20 5 DGBDMO O=C(C[N@@H+]1CC[C@@H]2CCC[C@@H]21)Nc1ccc([N+](=O)[O-])cc1Cl ZINC000426473111 433508348 /nfs/dbraw/zinc/50/83/48/433508348.db2.gz QMAZJXVCIBAGBP-HZMBPMFUSA-N 1 1 323.780 3.061 20 5 DGBDMO O=C(C[N@H+]1CC[C@@H]2CCC[C@@H]21)Nc1ccc([N+](=O)[O-])cc1Cl ZINC000426473111 433508357 /nfs/dbraw/zinc/50/83/57/433508357.db2.gz QMAZJXVCIBAGBP-HZMBPMFUSA-N 1 1 323.780 3.061 20 5 DGBDMO CC(C)c1ccc(C[N@H+]2CC[C@@](O)(C3CC3)C2)cc1[N+](=O)[O-] ZINC000376045570 433648757 /nfs/dbraw/zinc/64/87/57/433648757.db2.gz WZVRLBQFOIUBBV-KRWDZBQOSA-N 1 1 304.390 3.065 20 5 DGBDMO CC(C)[C@@H]1C[N@@H+](CCOc2cccc([N+](=O)[O-])c2)CCS1 ZINC000362384910 433675339 /nfs/dbraw/zinc/67/53/39/433675339.db2.gz OCPUEZQBJACQQQ-HNNXBMFYSA-N 1 1 310.419 3.047 20 5 DGBDMO CC(C)[C@@H]1[N@@H+](Cc2cccc([N+](=O)[O-])c2)CC12CCOCC2 ZINC000414532669 433697617 /nfs/dbraw/zinc/69/76/17/433697617.db2.gz STVBQESKVDFCOI-INIZCTEOSA-N 1 1 304.390 3.232 20 5 DGBDMO CC(C)[C@H]1[N@@H+](Cc2cccc([N+](=O)[O-])c2)CC12CCOCC2 ZINC000414532671 433698104 /nfs/dbraw/zinc/69/81/04/433698104.db2.gz STVBQESKVDFCOI-MRXNPFEDSA-N 1 1 304.390 3.232 20 5 DGBDMO Cc1ccc(C[N@@H+]2CCC[C@H](c3ccnn3C)C2)cc1[N+](=O)[O-] ZINC000367467766 293076687 /nfs/dbraw/zinc/07/66/87/293076687.db2.gz VPVGINLIYCGLSW-HNNXBMFYSA-N 1 1 314.389 3.016 20 5 DGBDMO COc1cc(C[N@H+]2CC(C)(C)C[C@H]2C)c([N+](=O)[O-])cc1OC ZINC000414530035 433696004 /nfs/dbraw/zinc/69/60/04/433696004.db2.gz WNSFJJHTVVHVIL-LLVKDONJSA-N 1 1 308.378 3.232 20 5 DGBDMO CC(C)[C@@H]1[N@H+](Cc2csc([N+](=O)[O-])c2)CC12CCOCC2 ZINC000414534921 433702355 /nfs/dbraw/zinc/70/23/55/433702355.db2.gz VOZWAOUQVSXLSO-AWEZNQCLSA-N 1 1 310.419 3.293 20 5 DGBDMO CC(C)[C@@H]1[N@@H+](Cc2csc([N+](=O)[O-])c2)CC12CCOCC2 ZINC000414534921 433702360 /nfs/dbraw/zinc/70/23/60/433702360.db2.gz VOZWAOUQVSXLSO-AWEZNQCLSA-N 1 1 310.419 3.293 20 5 DGBDMO C[C@@H]1CCC[C@H](C)[N@@H+]1CCC(=O)Nc1ccccc1[N+](=O)[O-] ZINC000283297881 433706245 /nfs/dbraw/zinc/70/62/45/433706245.db2.gz NAYDAXXOGHHDRG-BETUJISGSA-N 1 1 305.378 3.186 20 5 DGBDMO C[C@@H](C[N@H+]1CCC[C@@H](C)C1)Nc1ncc(Cl)cc1[N+](=O)[O-] ZINC000301748826 433709247 /nfs/dbraw/zinc/70/92/47/433709247.db2.gz SPBHTQMSGCAZET-MNOVXSKESA-N 1 1 312.801 3.176 20 5 DGBDMO CO[C@]1(C)C[C@@H]([N@H+](C)Cc2c(F)cccc2[N+](=O)[O-])C1(C)C ZINC000362437217 433713794 /nfs/dbraw/zinc/71/37/94/433713794.db2.gz JGEWINPFSJZION-GDBMZVCRSA-N 1 1 310.369 3.369 20 5 DGBDMO CO[C@]1(C)C[C@@H]([N@@H+](C)Cc2c(F)cccc2[N+](=O)[O-])C1(C)C ZINC000362437217 433713801 /nfs/dbraw/zinc/71/38/01/433713801.db2.gz JGEWINPFSJZION-GDBMZVCRSA-N 1 1 310.369 3.369 20 5 DGBDMO Cc1cc(NC[C@H]2CCCC[N@@H+]2CC(C)C)ncc1[N+](=O)[O-] ZINC000301782760 433721286 /nfs/dbraw/zinc/72/12/86/433721286.db2.gz KDDRFUUQWMSRJJ-CQSZACIVSA-N 1 1 306.410 3.221 20 5 DGBDMO C[C@H]1CC[N@@H+](C)CCN1c1ccc([N+](=O)[O-])c(C(F)(F)F)c1 ZINC000339680113 433723904 /nfs/dbraw/zinc/72/39/04/433723904.db2.gz BSUWNNNJXGLPDK-JTQLQIEISA-N 1 1 317.311 3.144 20 5 DGBDMO O=C(C[N@@H+]1CC2CCC1CC2)Nc1ccc(Cl)cc1[N+](=O)[O-] ZINC000362624483 433791719 /nfs/dbraw/zinc/79/17/19/433791719.db2.gz WYBMUFAZYOUHCV-UHFFFAOYSA-N 1 1 323.780 3.061 20 5 DGBDMO O=C(C[N@H+]1CC2CCC1CC2)Nc1ccc(Cl)cc1[N+](=O)[O-] ZINC000362624483 433791732 /nfs/dbraw/zinc/79/17/32/433791732.db2.gz WYBMUFAZYOUHCV-UHFFFAOYSA-N 1 1 323.780 3.061 20 5 DGBDMO CC(C)(CN1CCCC1)[NH2+]C/C=C/c1ccccc1[N+](=O)[O-] ZINC000449779077 433794291 /nfs/dbraw/zinc/79/42/91/433794291.db2.gz XGDPYRKDYCYISX-VQHVLOKHSA-N 1 1 303.406 3.072 20 5 DGBDMO Cc1cccc(C[NH+]2CCN(c3sccc3[N+](=O)[O-])CC2)c1 ZINC000301927023 433799612 /nfs/dbraw/zinc/79/96/12/433799612.db2.gz HTJDMJPEZSZDHS-UHFFFAOYSA-N 1 1 317.414 3.287 20 5 DGBDMO CC[N@@H+]1CCCN(c2c(Cl)cc([N+](=O)[O-])cc2Cl)CC1 ZINC000302026499 433808800 /nfs/dbraw/zinc/80/88/00/433808800.db2.gz LCARAKNMFLDOAV-UHFFFAOYSA-N 1 1 318.204 3.434 20 5 DGBDMO CC[N@H+]1CCCN(c2c(Cl)cc([N+](=O)[O-])cc2Cl)CC1 ZINC000302026499 433808812 /nfs/dbraw/zinc/80/88/12/433808812.db2.gz LCARAKNMFLDOAV-UHFFFAOYSA-N 1 1 318.204 3.434 20 5 DGBDMO COC[C@H]([NH2+][C@@H](C)c1ccc(N)c([N+](=O)[O-])c1)c1ccc(C)o1 ZINC000284090925 433831566 /nfs/dbraw/zinc/83/15/66/433831566.db2.gz MGJATTAUJXPBBP-FZMZJTMJSA-N 1 1 319.361 3.117 20 5 DGBDMO Cn1cc[nH+]c1[C@@H]1CCCN(c2ccc([N+](=O)[O-])cc2Cl)C1 ZINC000375945976 293594188 /nfs/dbraw/zinc/59/41/88/293594188.db2.gz FXEVQDKBSVAIQJ-LLVKDONJSA-N 1 1 320.780 3.366 20 5 DGBDMO C[NH+](C)[C@@H](CN[C@@H]1CC(C)(C)c2ccc([N+](=O)[O-])cc21)C1CC1 ZINC000433160614 433842928 /nfs/dbraw/zinc/84/29/28/433842928.db2.gz WAZJJIJEXFBMQD-SJORKVTESA-N 1 1 317.433 3.247 20 5 DGBDMO O=[N+]([O-])c1ccc2oc(C[N@H+]3CCC[C@@H](C4CC4)C3)nc2c1 ZINC000377525317 433900669 /nfs/dbraw/zinc/90/06/69/433900669.db2.gz OSWYTCDCIVPYAL-GFCCVEGCSA-N 1 1 301.346 3.358 20 5 DGBDMO O=C(CC[N@H+]1CCC[C@H](C2CC2)C1)Nc1ccccc1[N+](=O)[O-] ZINC000377524845 433902834 /nfs/dbraw/zinc/90/28/34/433902834.db2.gz OTJDASLQXDAHGA-AWEZNQCLSA-N 1 1 317.389 3.045 20 5 DGBDMO C[C@H](CC[NH3+])NCc1ccc(-c2ccc([N+](=O)[O-])cc2Cl)o1 ZINC000414888868 433906488 /nfs/dbraw/zinc/90/64/88/433906488.db2.gz FRJKOLGFOPYKRL-SNVBAGLBSA-N 1 1 323.780 3.335 20 5 DGBDMO Cc1c(C[N@@H+](CCCO)Cc2ccccc2)cccc1[N+](=O)[O-] ZINC000362939641 433918407 /nfs/dbraw/zinc/91/84/07/433918407.db2.gz CVKBYFVDKKCHGU-UHFFFAOYSA-N 1 1 314.385 3.288 20 5 DGBDMO O=[N+]([O-])c1ccc(N[C@H]2CC[N@@H+](Cc3ccccc3)C2)c(F)c1 ZINC000302862345 433887685 /nfs/dbraw/zinc/88/76/85/433887685.db2.gz CXOXXKORAGIUAA-AWEZNQCLSA-N 1 1 315.348 3.420 20 5 DGBDMO C[N@@H+](CCCC1CCOCC1)CCc1ccccc1[N+](=O)[O-] ZINC000285456748 433953990 /nfs/dbraw/zinc/95/39/90/433953990.db2.gz YZMXNAWGRJUYEH-UHFFFAOYSA-N 1 1 306.406 3.276 20 5 DGBDMO O=[N+]([O-])c1ccccc1/C=C/CNC[C@H]1[NH2+]CCc2ccccc21 ZINC000414961330 433940526 /nfs/dbraw/zinc/94/05/26/433940526.db2.gz VDJGSFGHPSTIFS-KRZKXXONSA-N 1 1 323.396 3.085 20 5 DGBDMO C[C@]1(CCCO)CCC[N@@H+]1Cc1c(F)cc([N+](=O)[O-])cc1F ZINC000285652699 434025381 /nfs/dbraw/zinc/02/53/81/434025381.db2.gz OPYGCXPVDRNYEP-OAHLLOKOSA-N 1 1 314.332 3.000 20 5 DGBDMO C[C@]1(CCCO)CCC[N@H+]1Cc1c(F)cc([N+](=O)[O-])cc1F ZINC000285652699 434025387 /nfs/dbraw/zinc/02/53/87/434025387.db2.gz OPYGCXPVDRNYEP-OAHLLOKOSA-N 1 1 314.332 3.000 20 5 DGBDMO Cc1c(NC(=O)CC[N@H+]2CCC[C@@H]2C2CC2)cccc1[N+](=O)[O-] ZINC000363385326 434036296 /nfs/dbraw/zinc/03/62/96/434036296.db2.gz XMLBNBSBPDIBNU-MRXNPFEDSA-N 1 1 317.389 3.106 20 5 DGBDMO CCC[N@H+]1CC[C@@H](CNc2nccc3c2cccc3[N+](=O)[O-])C1 ZINC000450279600 434077744 /nfs/dbraw/zinc/07/77/44/434077744.db2.gz XYGONLAXLRRPKG-ZDUSSCGKSA-N 1 1 314.389 3.287 20 5 DGBDMO CC[C@H](C)[N@@H+](C)CCNc1nccc2c1cccc2[N+](=O)[O-] ZINC000450303076 434093585 /nfs/dbraw/zinc/09/35/85/434093585.db2.gz INDVWUPGHKDGMI-LBPRGKRZSA-N 1 1 302.378 3.285 20 5 DGBDMO Cn1ccnc1[C@H]([NH2+]CC(C)(C)C)c1cccc([N+](=O)[O-])c1 ZINC000353408544 434113894 /nfs/dbraw/zinc/11/38/94/434113894.db2.gz ZGZZRQBFSCBNRT-CQSZACIVSA-N 1 1 302.378 3.053 20 5 DGBDMO C[NH+](C)[C@@H](c1nc(-c2ccc([N+](=O)[O-])cc2)no1)c1ccccc1 ZINC000504222521 294211164 /nfs/dbraw/zinc/21/11/64/294211164.db2.gz FRKMDONLJJXWEV-OAHLLOKOSA-N 1 1 324.340 3.296 20 5 DGBDMO C[N@@H+](CCC1CCCCC1)CC(=O)Nc1ccccc1[N+](=O)[O-] ZINC000507607921 294305569 /nfs/dbraw/zinc/30/55/69/294305569.db2.gz KDNGOCBCRMLOBE-UHFFFAOYSA-N 1 1 319.405 3.436 20 5 DGBDMO COc1ccc([N+](=O)[O-])cc1C[NH2+][C@@H](C)c1cc(C)ccn1 ZINC000286001828 434131606 /nfs/dbraw/zinc/13/16/06/434131606.db2.gz ISJHYNJCLHINNJ-LBPRGKRZSA-N 1 1 301.346 3.158 20 5 DGBDMO CC(C)c1ccc(CN2CC[N@@H+](C)CC[C@@H]2C)cc1[N+](=O)[O-] ZINC000353450618 434142496 /nfs/dbraw/zinc/14/24/96/434142496.db2.gz UREJQLOTQHNSMN-AWEZNQCLSA-N 1 1 305.422 3.244 20 5 DGBDMO CCC[N@@H+](CC)C[C@H](C)Nc1ncnc2sc([N+](=O)[O-])cc21 ZINC000357772826 434173170 /nfs/dbraw/zinc/17/31/70/434173170.db2.gz DAMZGUJUOUBSKY-JTQLQIEISA-N 1 1 323.422 3.132 20 5 DGBDMO CCOc1cc(NC[C@@H]2CC[N@H+](C(C)C)C2)ccc1[N+](=O)[O-] ZINC000316239216 434186013 /nfs/dbraw/zinc/18/60/13/434186013.db2.gz PXAAWZNCFOANDY-ZDUSSCGKSA-N 1 1 307.394 3.136 20 5 DGBDMO C[N@@H+](Cc1ccc([N+](=O)[O-])cc1)[C@H](CO)c1ccc(Cl)cc1 ZINC000295087647 434190586 /nfs/dbraw/zinc/19/05/86/434190586.db2.gz RDZLSIYUPUVLBJ-MRXNPFEDSA-N 1 1 320.776 3.414 20 5 DGBDMO C[N@H+](CCC1CCOCC1)Cc1c(F)cc([N+](=O)[O-])cc1F ZINC000286231976 434204536 /nfs/dbraw/zinc/20/45/36/434204536.db2.gz BXZQQAGDVYFLCZ-UHFFFAOYSA-N 1 1 314.332 3.122 20 5 DGBDMO C[N@@H+](CCC1CCOCC1)Cc1c(F)cc([N+](=O)[O-])cc1F ZINC000286231976 434204549 /nfs/dbraw/zinc/20/45/49/434204549.db2.gz BXZQQAGDVYFLCZ-UHFFFAOYSA-N 1 1 314.332 3.122 20 5 DGBDMO O=[N+]([O-])c1cccc(F)c1N1CC[C@H]2[C@@H](CCC[N@H+]2C2CC2)C1 ZINC000286357483 434242886 /nfs/dbraw/zinc/24/28/86/434242886.db2.gz WXGNTCJHSKIWJP-WFASDCNBSA-N 1 1 319.380 3.187 20 5 DGBDMO Cc1ccc(C)c([C@@H](C)[N@@H+](C)CCn2ccc([N+](=O)[O-])n2)c1 ZINC000357917428 434247390 /nfs/dbraw/zinc/24/73/90/434247390.db2.gz RIORKHIZVZAYRA-CQSZACIVSA-N 1 1 302.378 3.101 20 5 DGBDMO O=[N+]([O-])c1cccc(OCC[N@H+]2CCS[C@H]3CCCC[C@@H]32)c1 ZINC000437524043 434278762 /nfs/dbraw/zinc/27/87/62/434278762.db2.gz DIARMBRKVPHWLW-HOTGVXAUSA-N 1 1 322.430 3.334 20 5 DGBDMO O=[N+]([O-])c1ccccc1OCC[N@H+]1CCS[C@H]2CCCC[C@@H]21 ZINC000437544412 434285836 /nfs/dbraw/zinc/28/58/36/434285836.db2.gz ZLHNGSUKHBJZOF-HOCLYGCPSA-N 1 1 322.430 3.334 20 5 DGBDMO O=[N+]([O-])c1ccc(OCC[N@H+]2CCS[C@H]3CCCC[C@H]32)cc1 ZINC000437544604 434288056 /nfs/dbraw/zinc/28/80/56/434288056.db2.gz IJRCZDGTAGJMCY-CVEARBPZSA-N 1 1 322.430 3.334 20 5 DGBDMO CC(=O)c1ccc(C[N@@H+](C)CCc2cccc([N+](=O)[O-])c2)cc1 ZINC000295495380 434391329 /nfs/dbraw/zinc/39/13/29/434391329.db2.gz ZPBDLXZEFCMRTI-UHFFFAOYSA-N 1 1 312.369 3.472 20 5 DGBDMO CCC[N@H+]1CC[C@H](CNc2nccc3cc([N+](=O)[O-])ccc32)C1 ZINC000295471620 434377861 /nfs/dbraw/zinc/37/78/61/434377861.db2.gz ISUFCYFOMAZASC-CYBMUJFWSA-N 1 1 314.389 3.287 20 5 DGBDMO C[C@@H](CN)[NH2+][C@@H](C)c1ccc(-c2ccccc2[N+](=O)[O-])s1 ZINC000423366406 434384031 /nfs/dbraw/zinc/38/40/31/434384031.db2.gz LHCBLRXJSJRABD-QWRGUYRKSA-N 1 1 305.403 3.321 20 5 DGBDMO CC(C)=CCC[NH2+][C@@H](c1nccn1C)c1ccc([N+](=O)[O-])cc1 ZINC000353686135 434340960 /nfs/dbraw/zinc/34/09/60/434340960.db2.gz JVHONBQJFKDPEO-MRXNPFEDSA-N 1 1 314.389 3.364 20 5 DGBDMO Cc1ccn2c(C[N@@H+](C)CCc3ccccc3[N+](=O)[O-])cnc2c1 ZINC000348678609 434444959 /nfs/dbraw/zinc/44/49/59/434444959.db2.gz XGZQKKIFYREBLD-UHFFFAOYSA-N 1 1 324.384 3.225 20 5 DGBDMO C[C@@H](NC[C@H]1[NH2+]CCc2ccccc21)c1ccc([N+](=O)[O-])cc1 ZINC000423427195 434420610 /nfs/dbraw/zinc/42/06/10/434420610.db2.gz NMWUAQKYNAMBGY-FZKQIMNGSA-N 1 1 311.385 3.132 20 5 DGBDMO CC[C@H]1C[N@@H+](CC)CCN1c1nc2ccccc2cc1[N+](=O)[O-] ZINC000450830255 434427816 /nfs/dbraw/zinc/42/78/16/434427816.db2.gz NPWNQJINDONEQV-AWEZNQCLSA-N 1 1 314.389 3.064 20 5 DGBDMO NC[C@H]([NH2+][C@H]1CCCc2ccc([N+](=O)[O-])cc21)C1CCCC1 ZINC000423507239 434464898 /nfs/dbraw/zinc/46/48/98/434464898.db2.gz PVICZUAWPQZSCC-IRXDYDNUSA-N 1 1 303.406 3.079 20 5 DGBDMO NC[C@@H]([NH2+][C@H]1CCCc2ccc([N+](=O)[O-])cc21)C1CCCC1 ZINC000423507237 434465877 /nfs/dbraw/zinc/46/58/77/434465877.db2.gz PVICZUAWPQZSCC-DLBZAZTESA-N 1 1 303.406 3.079 20 5 DGBDMO O=[N+]([O-])c1cc(Cl)ccc1C[N@H+]1CC[C@@H]([C@@H]2CCOC2)C1 ZINC000366651112 434477157 /nfs/dbraw/zinc/47/71/57/434477157.db2.gz HJKWSXPITGAAIA-DGCLKSJQSA-N 1 1 310.781 3.107 20 5 DGBDMO O=[N+]([O-])c1cccc(Cl)c1C[NH+]1CCC(CCCO)CC1 ZINC000400985983 434491391 /nfs/dbraw/zinc/49/13/91/434491391.db2.gz VKCGKTVKZWYFNF-UHFFFAOYSA-N 1 1 312.797 3.233 20 5 DGBDMO CO[C@H](C)C[N@@H+](C)Cc1ccc(-c2ccc([N+](=O)[O-])cc2)o1 ZINC000348840000 434520894 /nfs/dbraw/zinc/52/08/94/434520894.db2.gz YXDZFTVKFXJJTE-GFCCVEGCSA-N 1 1 304.346 3.322 20 5 DGBDMO O=[N+]([O-])c1ccccc1/C=C\C[N@H+]1CC[C@@H](COC(F)F)C1 ZINC000348882629 434540889 /nfs/dbraw/zinc/54/08/89/434540889.db2.gz ZBRPSQZOKPERTA-KTLBGCOUSA-N 1 1 312.316 3.169 20 5 DGBDMO CC[N@H+]1C[C@@H](C)N(Cc2ccc([N+](=O)[O-])cc2Cl)C[C@@H]1C ZINC000360211525 434547936 /nfs/dbraw/zinc/54/79/36/434547936.db2.gz DTJRJLFOPHIWPC-NWDGAFQWSA-N 1 1 311.813 3.163 20 5 DGBDMO CCO[C@@H]1C[C@H]([N@@H+](C)CCOc2ccc([N+](=O)[O-])cc2)C1(C)C ZINC000525411648 295015021 /nfs/dbraw/zinc/01/50/21/295015021.db2.gz WIECUBBKGQVXFY-JKSUJKDBSA-N 1 1 322.405 3.109 20 5 DGBDMO COC(=O)C(C)(C)CC[N@@H+](Cc1ccc([N+](=O)[O-])cc1)C(C)C ZINC000526969664 295066039 /nfs/dbraw/zinc/06/60/39/295066039.db2.gz JZNHXSNPDOKACD-UHFFFAOYSA-N 1 1 322.405 3.395 20 5 DGBDMO Cc1nnc([C@@H](C)[N@@H+]2CCC[C@@H](c3ccc([N+](=O)[O-])cc3)C2)o1 ZINC000451547184 434571672 /nfs/dbraw/zinc/57/16/72/434571672.db2.gz KMLCMNONPRHYSX-BXUZGUMPSA-N 1 1 316.361 3.227 20 5 DGBDMO Cc1nnc([C@@H](C)[N@H+]2CCC[C@@H](c3ccc([N+](=O)[O-])cc3)C2)o1 ZINC000451547184 434571677 /nfs/dbraw/zinc/57/16/77/434571677.db2.gz KMLCMNONPRHYSX-BXUZGUMPSA-N 1 1 316.361 3.227 20 5 DGBDMO C[C@]1(CCCO)CCC[N@H+]1C/C=C/c1ccccc1[N+](=O)[O-] ZINC000349153079 434620308 /nfs/dbraw/zinc/62/03/08/434620308.db2.gz REHVEUKTAMMFAK-IOMDMTNGSA-N 1 1 304.390 3.235 20 5 DGBDMO COc1cc(C[NH+]2CC(C3CCCC3)C2)c([N+](=O)[O-])cc1OC ZINC000459606185 434630733 /nfs/dbraw/zinc/63/07/33/434630733.db2.gz FDACLZRDIFTWOL-UHFFFAOYSA-N 1 1 320.389 3.234 20 5 DGBDMO C[C@@H](C(=O)Nc1ccc([N+](=O)[O-])cc1)[N@H+]1CCCC[C@H](C)C1 ZINC000360621605 434652953 /nfs/dbraw/zinc/65/29/53/434652953.db2.gz TZHYWJRXHNABSG-STQMWFEESA-N 1 1 305.378 3.044 20 5 DGBDMO O=C(CC[N@H+]1CCC[C@H]1C1CCC1)Nc1ccc([N+](=O)[O-])cc1 ZINC000411232826 434749575 /nfs/dbraw/zinc/74/95/75/434749575.db2.gz TVYPOBXMVLCQIG-INIZCTEOSA-N 1 1 317.389 3.188 20 5 DGBDMO Cc1ccc([N+](=O)[O-])c(NC[C@@H](C)[N@@H+](C)Cc2ccccc2)n1 ZINC000360883366 434719765 /nfs/dbraw/zinc/71/97/65/434719765.db2.gz NKRLPHMXXCWRPQ-CQSZACIVSA-N 1 1 314.389 3.231 20 5 DGBDMO Cc1c(C[N@H+]2CC[C@@H](O)[C@H](C3CCCC3)C2)cccc1[N+](=O)[O-] ZINC000459811873 434727133 /nfs/dbraw/zinc/72/71/33/434727133.db2.gz VFRLLWVWMMUAAH-FUHWJXTLSA-N 1 1 318.417 3.276 20 5 DGBDMO Cc1nn(CC[N@H+](C)Cc2ccccc2)c2ccc([N+](=O)[O-])cc12 ZINC000418916515 434728087 /nfs/dbraw/zinc/72/80/87/434728087.db2.gz SFRMGWRVPXGZJX-UHFFFAOYSA-N 1 1 324.384 3.385 20 5 DGBDMO Cc1cc(C)c([N+](=O)[O-])c(OCC[N@H+](C)Cc2ccccc2)n1 ZINC000418931911 434730182 /nfs/dbraw/zinc/73/01/82/434730182.db2.gz FJQFZLFCWONKMZ-UHFFFAOYSA-N 1 1 315.373 3.117 20 5 DGBDMO CC(C)[N@@H+](CCC(=O)Nc1ccc([N+](=O)[O-])cc1)C1CCC1 ZINC000411378548 434770507 /nfs/dbraw/zinc/77/05/07/434770507.db2.gz ARNOLUCQKLWYRF-UHFFFAOYSA-N 1 1 305.378 3.186 20 5 DGBDMO C[C@@H]1CCC[C@H](C)[N@@H+]1CCC(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000411283910 434756015 /nfs/dbraw/zinc/75/60/15/434756015.db2.gz XBMZOUJADLXJSV-BETUJISGSA-N 1 1 305.378 3.186 20 5 DGBDMO C[C@@H]1CCC[N@@H+](CCC(=O)Nc2ccc([N+](=O)[O-])cc2)[C@H]1C ZINC000411306481 434756964 /nfs/dbraw/zinc/75/69/64/434756964.db2.gz GEAWZQCGFUJODQ-OLZOCXBDSA-N 1 1 305.378 3.044 20 5 DGBDMO Cc1c(NC(=O)[C@H](C)[N@H+]2C[C@H](C)[C@H](C)[C@@H]2C)cccc1[N+](=O)[O-] ZINC000419381368 434780382 /nfs/dbraw/zinc/78/03/82/434780382.db2.gz YJUABSWJRYNSGZ-IMIFBBOLSA-N 1 1 319.405 3.207 20 5 DGBDMO CCn1c(C)nc([N+](=O)[O-])c1NC[C@H]1CCCC[N@H+]1CC(C)C ZINC000361056017 434780653 /nfs/dbraw/zinc/78/06/53/434780653.db2.gz GRCINLJDPFHUGT-CQSZACIVSA-N 1 1 323.441 3.042 20 5 DGBDMO C[C@H]1CC[C@H]([N@@H+](C)CCC(=O)Nc2ccc([N+](=O)[O-])cc2)C1 ZINC000411630473 434811447 /nfs/dbraw/zinc/81/14/47/434811447.db2.gz IKXBJOTWCQLXGC-WFASDCNBSA-N 1 1 305.378 3.044 20 5 DGBDMO O=[N+]([O-])c1cccc(OCC[N@H+]2CCSC3(CCC3)CC2)c1 ZINC000411867978 434836544 /nfs/dbraw/zinc/83/65/44/434836544.db2.gz KAXBQNQPRGFDTK-UHFFFAOYSA-N 1 1 322.430 3.335 20 5 DGBDMO C[C@@H]1CC(C)(C)C[N@H+]1CCC(=O)Nc1ccccc1[N+](=O)[O-] ZINC000412043318 434860720 /nfs/dbraw/zinc/86/07/20/434860720.db2.gz NMLSTNKQUKJTKJ-GFCCVEGCSA-N 1 1 305.378 3.044 20 5 DGBDMO CCn1ccnc1[C@@H](C)[NH2+][C@H]1CCc2c1cccc2[N+](=O)[O-] ZINC000521370516 434881222 /nfs/dbraw/zinc/88/12/22/434881222.db2.gz WEQWYIUBUOCKDR-RISCZKNCSA-N 1 1 300.362 3.149 20 5 DGBDMO Cc1c(C[N@@H+](C)CCCC(=O)OC(C)(C)C)cccc1[N+](=O)[O-] ZINC000523439337 434947816 /nfs/dbraw/zinc/94/78/16/434947816.db2.gz UTEJPVKLTINGRL-UHFFFAOYSA-N 1 1 322.405 3.457 20 5 DGBDMO CCn1c2cc(F)ccc2[nH+]c1NCc1ccc([N+](=O)[O-])cc1 ZINC000463495098 434962540 /nfs/dbraw/zinc/96/25/40/434962540.db2.gz BIQYVGJEJGYRDY-UHFFFAOYSA-N 1 1 314.320 3.716 20 5 DGBDMO C[C@@H]1C[C@@H](Nc2ccc([N+](=O)[O-])c(OC(F)F)c2)CC[N@H+]1C ZINC000462888868 434934857 /nfs/dbraw/zinc/93/48/57/434934857.db2.gz HUVQBYABXWACND-KOLCDFICSA-N 1 1 315.320 3.091 20 5 DGBDMO Cc1ccc(CN[C@H](C)C[NH+]2CCC(C)CC2)cc1[N+](=O)[O-] ZINC000574705061 434998903 /nfs/dbraw/zinc/99/89/03/434998903.db2.gz UMCZTDOXEWJKTR-OAHLLOKOSA-N 1 1 305.422 3.113 20 5 DGBDMO CCC[C@H]1CCC[N@@H+](CC(=O)Nc2ccc([N+](=O)[O-])cc2C)C1 ZINC000466463729 435077485 /nfs/dbraw/zinc/07/74/85/435077485.db2.gz GXWHZGRWXHHJHH-AWEZNQCLSA-N 1 1 319.405 3.354 20 5 DGBDMO Cc1ccc([N+](=O)[O-])cc1[C@@H](C)NCC[NH+]1CCCCCC1 ZINC000532198627 435147705 /nfs/dbraw/zinc/14/77/05/435147705.db2.gz HDLDKXXKUSXTLY-OAHLLOKOSA-N 1 1 305.422 3.430 20 5 DGBDMO CCC[N@@H+](CC)C[C@@H](C)Nc1ccc([N+](=O)[O-])c(C(C)=O)c1 ZINC000578567581 435092609 /nfs/dbraw/zinc/09/26/09/435092609.db2.gz JVYNKVMNAKHUSB-GFCCVEGCSA-N 1 1 307.394 3.330 20 5 DGBDMO C/C(=C/c1cccc([N+](=O)[O-])c1)C[N@H+]1C[C@H](C)O[C@@H](C2CC2)C1 ZINC000475283132 435187639 /nfs/dbraw/zinc/18/76/39/435187639.db2.gz HIICYPKYDDHMDJ-YZIUUIQLSA-N 1 1 316.401 3.497 20 5 DGBDMO C/C(=C/c1cccc([N+](=O)[O-])c1)C[N@@H+]1C[C@H](C)O[C@@H](C2CC2)C1 ZINC000475283132 435187643 /nfs/dbraw/zinc/18/76/43/435187643.db2.gz HIICYPKYDDHMDJ-YZIUUIQLSA-N 1 1 316.401 3.497 20 5 DGBDMO C/C(=C/c1cccc([N+](=O)[O-])c1)C[N@@H+]1C[C@@H](C2CC2)O[C@@H](C)C1 ZINC000475283130 435188437 /nfs/dbraw/zinc/18/84/37/435188437.db2.gz HIICYPKYDDHMDJ-MGXHIJMRSA-N 1 1 316.401 3.497 20 5 DGBDMO C/C(=C/c1cccc([N+](=O)[O-])c1)C[N@H+]1C[C@@H](C2CC2)O[C@@H](C)C1 ZINC000475283130 435188440 /nfs/dbraw/zinc/18/84/40/435188440.db2.gz HIICYPKYDDHMDJ-MGXHIJMRSA-N 1 1 316.401 3.497 20 5 DGBDMO C/C(=C/c1cccc([N+](=O)[O-])c1)C[N@H+]1CCC[C@@](C)(O)CC1 ZINC000475358634 435192303 /nfs/dbraw/zinc/19/23/03/435192303.db2.gz QIXKRYLJWNJMDX-VWILAXROSA-N 1 1 304.390 3.235 20 5 DGBDMO C/C(=C\c1cccc([N+](=O)[O-])c1)C[N@H+]1CCC[C@](C)(O)CC1 ZINC000475358635 435193410 /nfs/dbraw/zinc/19/34/10/435193410.db2.gz QIXKRYLJWNJMDX-WKOYGUFESA-N 1 1 304.390 3.235 20 5 DGBDMO C[N@H+](CCC1CCOCC1)Cc1c(Cl)cccc1[N+](=O)[O-] ZINC000493361944 435156465 /nfs/dbraw/zinc/15/64/65/435156465.db2.gz LPCPVCSZKNULBU-UHFFFAOYSA-N 1 1 312.797 3.497 20 5 DGBDMO C[N@@H+](CCC1CCOCC1)Cc1c(Cl)cccc1[N+](=O)[O-] ZINC000493361944 435156469 /nfs/dbraw/zinc/15/64/69/435156469.db2.gz LPCPVCSZKNULBU-UHFFFAOYSA-N 1 1 312.797 3.497 20 5 DGBDMO Cc1ccc([N+](=O)[O-])cc1[C@H](C)N1[C@@H]2CC[C@H]1CC[N@H+](C)C2 ZINC000579669289 435172992 /nfs/dbraw/zinc/17/29/92/435172992.db2.gz UFLSGZSYCRHHCB-OFQRWUPVSA-N 1 1 303.406 3.133 20 5 DGBDMO Cc1ccc([N+](=O)[O-])cc1[C@H](C)[N@H+]1[C@@H]2CC[C@H]1CCN(C)C2 ZINC000579669289 435172996 /nfs/dbraw/zinc/17/29/96/435172996.db2.gz UFLSGZSYCRHHCB-OFQRWUPVSA-N 1 1 303.406 3.133 20 5 DGBDMO Cc1ccc([N+](=O)[O-])cc1[C@H](C)[N@@H+]1[C@@H]2CC[C@H]1CCN(C)C2 ZINC000579669289 435172999 /nfs/dbraw/zinc/17/29/99/435172999.db2.gz UFLSGZSYCRHHCB-OFQRWUPVSA-N 1 1 303.406 3.133 20 5 DGBDMO Cc1ccc(C[NH2+][C@H](C)CN2CCCCCC2)cc1[N+](=O)[O-] ZINC000479601307 435342209 /nfs/dbraw/zinc/34/22/09/435342209.db2.gz HFEIQPJDDITNLN-OAHLLOKOSA-N 1 1 305.422 3.257 20 5 DGBDMO C[C@@H](C[NH+]1CCC(C)CC1)N[C@@H](C)c1cccc([N+](=O)[O-])c1 ZINC000514616142 435424241 /nfs/dbraw/zinc/42/42/41/435424241.db2.gz KNQWYAYFQKKGAG-GJZGRUSLSA-N 1 1 305.422 3.366 20 5 DGBDMO C[C@@H]1CN(C)[C@@H](C)C[C@@H]1[NH2+]CCCCc1ccc([N+](=O)[O-])cc1 ZINC000536867845 435417546 /nfs/dbraw/zinc/41/75/46/435417546.db2.gz FJIOSDRFIUNMBH-VKJFTORMSA-N 1 1 319.449 3.236 20 5 DGBDMO CCC(=O)c1ccc(N[C@@H]2CCC[N@@H+](C)[C@H]2C)c([N+](=O)[O-])c1 ZINC000480104805 435366459 /nfs/dbraw/zinc/36/64/59/435366459.db2.gz AYQNHXNBXAMXHL-WCQYABFASA-N 1 1 305.378 3.082 20 5 DGBDMO C[C@H]1C[N@@H+](C/C=C/c2ccccc2[N+](=O)[O-])CC2(CCC2)O1 ZINC000567906020 435367804 /nfs/dbraw/zinc/36/78/04/435367804.db2.gz ATJSIXUKKURRAQ-GBXSZLQWSA-N 1 1 302.374 3.251 20 5 DGBDMO CC(C)(C)[C@@H]1CCC[N@@H+](CC(=O)Nc2ccccc2[N+](=O)[O-])C1 ZINC000483245084 435503204 /nfs/dbraw/zinc/50/32/04/435503204.db2.gz GZHGMRDJXSYFOF-CYBMUJFWSA-N 1 1 319.405 3.291 20 5 DGBDMO O=[N+]([O-])c1ccc(N[C@H]2CC[N@@H+](CCC3CCCCC3)C2)nc1 ZINC000483266344 435506246 /nfs/dbraw/zinc/50/62/46/435506246.db2.gz WBTRDLABKHMVRD-HNNXBMFYSA-N 1 1 318.421 3.446 20 5 DGBDMO O=[N+]([O-])c1cccc2c1CC[N@H+](Cc1ccc3[nH]cnc3c1)C2 ZINC000538728261 435517622 /nfs/dbraw/zinc/51/76/22/435517622.db2.gz JFPBWIZLKXHOJD-UHFFFAOYSA-N 1 1 308.341 3.029 20 5 DGBDMO O=[N+]([O-])c1cccc2c1CC[N@@H+](Cc1ccc3[nH]cnc3c1)C2 ZINC000538728261 435517627 /nfs/dbraw/zinc/51/76/27/435517627.db2.gz JFPBWIZLKXHOJD-UHFFFAOYSA-N 1 1 308.341 3.029 20 5 DGBDMO O=[N+]([O-])c1cccc2c1CC[N@H+](Cc1ccc3nc[nH]c3c1)C2 ZINC000538728261 435517631 /nfs/dbraw/zinc/51/76/31/435517631.db2.gz JFPBWIZLKXHOJD-UHFFFAOYSA-N 1 1 308.341 3.029 20 5 DGBDMO O=[N+]([O-])c1cccc2c1CC[N@@H+](Cc1ccc3nc[nH]c3c1)C2 ZINC000538728261 435517634 /nfs/dbraw/zinc/51/76/34/435517634.db2.gz JFPBWIZLKXHOJD-UHFFFAOYSA-N 1 1 308.341 3.029 20 5 DGBDMO CCCC[C@@H](C)[N@@H+](C)CC(=O)Nc1ccc([N+](=O)[O-])cc1C ZINC000569652100 435549386 /nfs/dbraw/zinc/54/93/86/435549386.db2.gz XZCHIVWUTQPWFG-CYBMUJFWSA-N 1 1 307.394 3.352 20 5 DGBDMO Cc1ccc([N+](=O)[O-])cc1[C@H](C)[NH2+][C@H]1CCCc2cn[nH]c21 ZINC000540156077 435591271 /nfs/dbraw/zinc/59/12/71/435591271.db2.gz FFJMVEWPOIEHDC-NHYWBVRUSA-N 1 1 300.362 3.355 20 5 DGBDMO Cc1ccc([N+](=O)[O-])cc1[C@H](C)[NH2+][C@H]1CCCc2c[nH]nc21 ZINC000540156077 435591276 /nfs/dbraw/zinc/59/12/76/435591276.db2.gz FFJMVEWPOIEHDC-NHYWBVRUSA-N 1 1 300.362 3.355 20 5 DGBDMO CCN1CC[C@@H]([NH2+]CCCCc2ccc([N+](=O)[O-])cc2)[C@@H](C)C1 ZINC000539089488 435538402 /nfs/dbraw/zinc/53/84/02/435538402.db2.gz SLRUGJHDBHQZEF-MAUKXSAKSA-N 1 1 319.449 3.237 20 5 DGBDMO CCC[C@@H](C)[C@H]1CCC[N@H+]1CC(=O)Nc1ccccc1[N+](=O)[O-] ZINC000486803750 435616488 /nfs/dbraw/zinc/61/64/88/435616488.db2.gz SVSPMJSNJRJUBJ-UKRRQHHQSA-N 1 1 319.405 3.434 20 5 DGBDMO O=[N+]([O-])c1ccc(C[N@H+]2CC[C@H](c3ccncc3)C2)c(F)c1 ZINC000570981094 435668326 /nfs/dbraw/zinc/66/83/26/435668326.db2.gz DYJUBRWVKWDDIV-ZDUSSCGKSA-N 1 1 301.321 3.118 20 5 DGBDMO Cc1ccc([N+](=O)[O-])cc1[C@H](C)[N@@H+]1C[C@@H](C)O[C@H](C2CC2)C1 ZINC000548753086 435714616 /nfs/dbraw/zinc/71/46/16/435714616.db2.gz FCWIGASMMDVJLX-IGCXYCKISA-N 1 1 304.390 3.464 20 5 DGBDMO Cc1ccc([N+](=O)[O-])cc1[C@H](C)[N@H+]1C[C@@H](C)O[C@H](C2CC2)C1 ZINC000548753086 435714618 /nfs/dbraw/zinc/71/46/18/435714618.db2.gz FCWIGASMMDVJLX-IGCXYCKISA-N 1 1 304.390 3.464 20 5 DGBDMO CC(C)[C@@H]1C[N@H+](Cc2c(Cl)cccc2[N+](=O)[O-])CCCO1 ZINC000550189809 435795379 /nfs/dbraw/zinc/79/53/79/435795379.db2.gz XQUWIIKNYQYBDJ-HNNXBMFYSA-N 1 1 312.797 3.495 20 5 DGBDMO CC(C)[C@@H]1C[N@@H+](Cc2c(Cl)cccc2[N+](=O)[O-])CCCO1 ZINC000550189809 435795384 /nfs/dbraw/zinc/79/53/84/435795384.db2.gz XQUWIIKNYQYBDJ-HNNXBMFYSA-N 1 1 312.797 3.495 20 5 DGBDMO O=[N+]([O-])c1cccc2c1CC[C@@H]2[NH2+][C@@H]1COc2ccc(F)cc21 ZINC000572661311 435851565 /nfs/dbraw/zinc/85/15/65/435851565.db2.gz DBUUOLSEHSDNTA-LSDHHAIUSA-N 1 1 314.316 3.445 20 5 DGBDMO Cc1cc(F)ccc1[C@@H]1CCC[N@H+]1CCn1cc([N+](=O)[O-])cn1 ZINC000451974534 301322808 /nfs/dbraw/zinc/32/28/08/301322808.db2.gz SNFRQCHFSZWIGN-INIZCTEOSA-N 1 1 318.352 3.076 20 5 DGBDMO Cc1cc(N2CC[N@H+]([C@@H]3C[C@@H]3C)C[C@@H](C)C2)c(F)cc1[N+](=O)[O-] ZINC000488734150 301338928 /nfs/dbraw/zinc/33/89/28/301338928.db2.gz MLGOMBMFVHIERH-TYNCELHUSA-N 1 1 321.396 3.209 20 5 DGBDMO CC[C@H]([NH2+][C@@H](C)c1ccc(C)c([N+](=O)[O-])c1)c1ccn(C)n1 ZINC000544574173 314199963 /nfs/dbraw/zinc/19/99/63/314199963.db2.gz MJWCWKOKPRASDJ-JSGCOSHPSA-N 1 1 302.378 3.439 20 5 DGBDMO CC[C@@H]([NH2+][C@H](C)c1ccc(C)c([N+](=O)[O-])c1)c1ccn(C)n1 ZINC000544574175 314200002 /nfs/dbraw/zinc/20/00/02/314200002.db2.gz MJWCWKOKPRASDJ-TZMCWYRMSA-N 1 1 302.378 3.439 20 5 DGBDMO CC(C)([NH2+]Cc1ccc2nc[nH]c2c1)c1ccc([N+](=O)[O-])cc1 ZINC000545164800 314229676 /nfs/dbraw/zinc/22/96/76/314229676.db2.gz VTMXNBUAOYNIKD-UHFFFAOYSA-N 1 1 310.357 3.496 20 5 DGBDMO CCOc1ccc([N+](=O)[O-])cc1C[NH+]1C[C@@H](C)S[C@H](C)C1 ZINC000556837459 314780024 /nfs/dbraw/zinc/78/00/24/314780024.db2.gz WJJVWBHDFZIKOZ-VXGBXAGGSA-N 1 1 310.419 3.319 20 5 DGBDMO Cc1ccc([N+](=O)[O-])cc1[C@H](C)N[C@H]1CC[N@H+]2CCCC[C@@H]12 ZINC000564508157 315180048 /nfs/dbraw/zinc/18/00/48/315180048.db2.gz BJXQWNIUQAHQLH-JQFCIGGWSA-N 1 1 303.406 3.181 20 5 DGBDMO Cc1ccc([N+](=O)[O-])cc1[C@H](C)[NH2+][C@H]1CCN2CCCC[C@@H]12 ZINC000564508157 315180050 /nfs/dbraw/zinc/18/00/50/315180050.db2.gz BJXQWNIUQAHQLH-JQFCIGGWSA-N 1 1 303.406 3.181 20 5 DGBDMO CC(C)CCSc1ccc(-c2nc(C[NH3+])no2)cc1[N+](=O)[O-] ZINC000566214469 315322717 /nfs/dbraw/zinc/32/27/17/315322717.db2.gz NJIXFOYJMUCLPW-UHFFFAOYSA-N 1 1 322.390 3.242 20 5 DGBDMO O=[N+]([O-])c1cccc2c1CC[C@H]2NCC[NH+]1CCCCCC1 ZINC000576886686 316178966 /nfs/dbraw/zinc/17/89/66/316178966.db2.gz MKCWJYRXURRLTN-MRXNPFEDSA-N 1 1 303.406 3.048 20 5 DGBDMO COc1cccc(C[NH2+]C(C)(C)c2ccc([N+](=O)[O-])cc2)n1 ZINC000181331498 323252056 /nfs/dbraw/zinc/25/20/56/323252056.db2.gz YZAJCBXRQSASRP-UHFFFAOYSA-N 1 1 301.346 3.023 20 5 DGBDMO CCOC(=O)C[C@@H](C)[N@@H+](C)Cc1ccc(Cl)cc1[N+](=O)[O-] ZINC000182632595 323306589 /nfs/dbraw/zinc/30/65/89/323306589.db2.gz MPLPKKLFVWJMQC-SNVBAGLBSA-N 1 1 314.769 3.022 20 5 DGBDMO CCC[N@@H+](CCC(=O)Nc1ccc([N+](=O)[O-])cc1OC)C(C)C ZINC000581079023 324071833 /nfs/dbraw/zinc/07/18/33/324071833.db2.gz BFMJTBFWSAXHDN-UHFFFAOYSA-N 1 1 323.393 3.052 20 5 DGBDMO C/C(=C/c1cccc([N+](=O)[O-])c1)C[N@@H+]1CC[C@@H](OC(C)C)C1 ZINC000581884929 324164662 /nfs/dbraw/zinc/16/46/62/324164662.db2.gz POOORGBBTLMKOY-CRPZLVSXSA-N 1 1 304.390 3.497 20 5 DGBDMO C[C@@H](CN[C@H]1CCc2c1cccc2[N+](=O)[O-])[N@@H+]1CCCC[C@H]1C ZINC000584479705 337348503 /nfs/dbraw/zinc/34/85/03/337348503.db2.gz CYTRLIJYCOBHGU-KEYYUXOJSA-N 1 1 317.433 3.435 20 5 DGBDMO C[C@@H](CN[C@H]1CCc2c1cccc2[N+](=O)[O-])[N@H+]1CCCC[C@H]1C ZINC000584479705 337348504 /nfs/dbraw/zinc/34/85/04/337348504.db2.gz CYTRLIJYCOBHGU-KEYYUXOJSA-N 1 1 317.433 3.435 20 5 DGBDMO C[C@H]1CC[C@H]([N@@H+](CCO)Cc2ccc([N+](=O)[O-])cc2Cl)C1 ZINC000330867225 533753088 /nfs/dbraw/zinc/75/30/88/533753088.db2.gz VODYGPABHJSQOQ-AAEUAGOBSA-N 1 1 312.797 3.231 20 5 DGBDMO C[C@@H](O)[C@@H]1C[C@H](C)CC[N@H+]1Cc1c(Cl)cccc1[N+](=O)[O-] ZINC000443317490 533827303 /nfs/dbraw/zinc/82/73/03/533827303.db2.gz XWGDPZBFLPLRTN-HFAKWTLXSA-N 1 1 312.797 3.230 20 5 DGBDMO C[C@@H](O)[C@@H]1C[C@H](C)CC[N@H+]1C/C=C\c1ccccc1[N+](=O)[O-] ZINC000443787780 533824601 /nfs/dbraw/zinc/82/46/01/533824601.db2.gz ILDPVBSSZSBGTK-NYAHMKPPSA-N 1 1 304.390 3.089 20 5 DGBDMO C[C@H](c1ccccc1)[N@H+]1CC[C@@H](Nc2ncc([N+](=O)[O-])s2)C1 ZINC000443507648 534132280 /nfs/dbraw/zinc/13/22/80/534132280.db2.gz GVOWQKPBPFEVPC-DGCLKSJQSA-N 1 1 318.402 3.299 20 5 DGBDMO C[C@H]1[C@@H](Nc2ncccc2[N+](=O)[O-])CC[N@H+]1Cc1ccccc1 ZINC000309927020 534143566 /nfs/dbraw/zinc/14/35/66/534143566.db2.gz XQALUTNZAQIOQO-ZFWWWQNUSA-N 1 1 312.373 3.065 20 5 DGBDMO Cc1ccn(C2CC[NH+](Cc3c(F)cccc3[N+](=O)[O-])CC2)n1 ZINC000434502178 534320332 /nfs/dbraw/zinc/32/03/32/534320332.db2.gz ZGLZJUWAYUXNBX-UHFFFAOYSA-N 1 1 318.352 3.076 20 5 DGBDMO Cc1nc(NCCC[N@@H+]2C[C@H](C)C[C@H](C)C2)ccc1[N+](=O)[O-] ZINC000301669048 534488874 /nfs/dbraw/zinc/48/88/74/534488874.db2.gz YCVPJTJJTPBAKA-BETUJISGSA-N 1 1 306.410 3.078 20 5 DGBDMO COc1cc(N2CCC([N@H+]3CCC[C@@H]3C)CC2)ccc1[N+](=O)[O-] ZINC000154899742 522630958 /nfs/dbraw/zinc/63/09/58/522630958.db2.gz XZONLOUCTKRCLO-ZDUSSCGKSA-N 1 1 319.405 3.057 20 5 DGBDMO O=[N+]([O-])c1ccc(N[C@@H]2CC[N@H+]3CCC[C@H]3C2)c2cccnc21 ZINC000322585928 534882149 /nfs/dbraw/zinc/88/21/49/534882149.db2.gz ITQOFOYGHXCUDL-OLZOCXBDSA-N 1 1 312.373 3.182 20 5 DGBDMO O=[N+]([O-])c1ccc2ccnc(N3CCC[C@H](c4[nH]cc[nH+]4)C3)c2c1 ZINC000413114537 534885128 /nfs/dbraw/zinc/88/51/28/534885128.db2.gz DWJYWOOZYPGNPK-ZDUSSCGKSA-N 1 1 323.356 3.250 20 5 DGBDMO CC1(C)C[C@H](O)CC[N@@H+](C/C=C\c2ccccc2[N+](=O)[O-])C1 ZINC000449619927 534898926 /nfs/dbraw/zinc/89/89/26/534898926.db2.gz RIXQVVFGJLEISB-ZQMJAJRESA-N 1 1 304.390 3.091 20 5 DGBDMO CCC[N@@H+](C)C[C@@H]1CCN(c2c(Cl)cccc2[N+](=O)[O-])C1 ZINC000432311125 527841680 /nfs/dbraw/zinc/84/16/80/527841680.db2.gz DVTIYXHXCNOQNL-LBPRGKRZSA-N 1 1 311.813 3.416 20 5 DGBDMO CC[N@@H+](C)Cc1cccc(CNc2ncc([N+](=O)[O-])cc2F)c1 ZINC000413080167 527847922 /nfs/dbraw/zinc/84/79/22/527847922.db2.gz YDPDFGRJACCULN-UHFFFAOYSA-N 1 1 318.352 3.193 20 5 DGBDMO CCC[C@@]1(CO)CCC[N@H+]1Cc1ccc([N+](=O)[O-])cc1Cl ZINC000444764264 527946368 /nfs/dbraw/zinc/94/63/68/527946368.db2.gz GDRGHBFDEGSUIA-HNNXBMFYSA-N 1 1 312.797 3.375 20 5 DGBDMO CCC[N@@H+](CCOc1ccc(OC)cc1[N+](=O)[O-])CC1CC1 ZINC000441242700 528104016 /nfs/dbraw/zinc/10/40/16/528104016.db2.gz GCPWJHUWPJLQNW-UHFFFAOYSA-N 1 1 308.378 3.104 20 5 DGBDMO CC[NH+](CC)CCNc1cc(C)nc2ccc([N+](=O)[O-])cc21 ZINC000302066962 528138550 /nfs/dbraw/zinc/13/85/50/528138550.db2.gz AYKCWWUSURQTCD-UHFFFAOYSA-N 1 1 302.378 3.205 20 5 DGBDMO CCOc1cc(Cn2c[nH+]c3c2CCCC3)ccc1[N+](=O)[O-] ZINC000294903135 528301671 /nfs/dbraw/zinc/30/16/71/528301671.db2.gz ASHGAZJFKAIZRI-UHFFFAOYSA-N 1 1 301.346 3.117 20 5 DGBDMO CCCC[N@@H+](C)C[C@H](C)NC(=O)c1cc([N+](=O)[O-])c(C)cc1C ZINC000421920347 528358404 /nfs/dbraw/zinc/35/84/04/528358404.db2.gz YDEUTQLNPSWJEC-AWEZNQCLSA-N 1 1 321.421 3.062 20 5 DGBDMO CC(C)[C@@H]1CCC[N@H+]1Cc1nnc(-c2ccc([N+](=O)[O-])cc2)o1 ZINC000299227393 528676132 /nfs/dbraw/zinc/67/61/32/528676132.db2.gz CCYQQYYTFHMBQV-AWEZNQCLSA-N 1 1 316.361 3.265 20 5 DGBDMO CC(C)[N@@H+](CCn1cc([N+](=O)[O-])cn1)[C@@H](C)c1ccccc1 ZINC000428839285 528917125 /nfs/dbraw/zinc/91/71/25/528917125.db2.gz LEXBACPNKNCRMP-AWEZNQCLSA-N 1 1 302.378 3.263 20 5 DGBDMO CC[N@H+]1CCC[C@@H]1CNc1ccnc2c1cccc2[N+](=O)[O-] ZINC000317247594 529082510 /nfs/dbraw/zinc/08/25/10/529082510.db2.gz JYJDPQBUBNLJNZ-GFCCVEGCSA-N 1 1 300.362 3.039 20 5 DGBDMO CC[N@H+]1CCC[C@H](Nc2ccc([N+](=O)[O-])c3ncccc23)C1 ZINC000316640456 529091758 /nfs/dbraw/zinc/09/17/58/529091758.db2.gz OLXNGSNNKYJPFQ-LBPRGKRZSA-N 1 1 300.362 3.039 20 5 DGBDMO CC(C)[N@H+]1C[C@H](C)[C@H](Nc2ccc([N+](=O)[O-])c3ncccc23)C1 ZINC000413184730 529098316 /nfs/dbraw/zinc/09/83/16/529098316.db2.gz KHWLQANZCKARLA-SWLSCSKDSA-N 1 1 314.389 3.284 20 5 DGBDMO CCSCC[C@H](C)[N@@H+](C)Cc1nc2cc([N+](=O)[O-])ccc2[nH]1 ZINC000444674223 529191274 /nfs/dbraw/zinc/19/12/74/529191274.db2.gz JYEOXUCRZHDDRP-NSHDSACASA-N 1 1 322.434 3.435 20 5 DGBDMO CC[C@@H]1CCCC[C@H]1[N@@H+](C)CC(=O)Nc1ccccc1[N+](=O)[O-] ZINC000444658817 529288512 /nfs/dbraw/zinc/28/85/12/529288512.db2.gz BUQDTUIHZSOTCK-UKRRQHHQSA-N 1 1 319.405 3.434 20 5 DGBDMO COc1ccc(-c2ccc(C[N@@H+]3CC[C@@H](F)C3)o2)c([N+](=O)[O-])c1 ZINC000449390263 536895856 /nfs/dbraw/zinc/89/58/56/536895856.db2.gz VPNAIJCRYDYBQA-LLVKDONJSA-N 1 1 320.320 3.407 20 5 DGBDMO COc1ccc(-c2ccc(C[N@H+]3CC[C@@H](F)C3)o2)c([N+](=O)[O-])c1 ZINC000449390263 536895858 /nfs/dbraw/zinc/89/58/58/536895858.db2.gz VPNAIJCRYDYBQA-LLVKDONJSA-N 1 1 320.320 3.407 20 5 DGBDMO C[C@@H]1CCC[N@H+]1CCNc1ccc2ncccc2c1[N+](=O)[O-] ZINC000742425129 574999298 /nfs/dbraw/zinc/99/92/98/574999298.db2.gz KVAYYDKUGRLYQJ-GFCCVEGCSA-N 1 1 300.362 3.039 20 5 DGBDMO COc1ccc([N+](=O)[O-])cc1C[N@@H+]1CCc2c(C)cccc2C1 ZINC000729477295 575252117 /nfs/dbraw/zinc/25/21/17/575252117.db2.gz GVWXGLYKZBMLSW-UHFFFAOYSA-N 1 1 312.369 3.470 20 5 DGBDMO COc1ccc([N+](=O)[O-])cc1C[N@H+]1CCc2c(C)cccc2C1 ZINC000729477295 575252119 /nfs/dbraw/zinc/25/21/19/575252119.db2.gz GVWXGLYKZBMLSW-UHFFFAOYSA-N 1 1 312.369 3.470 20 5 DGBDMO CC(C)C[C@H]1CC[N@@H+](Cn2ncc3cc([N+](=O)[O-])ccc32)C1 ZINC000744437097 575342653 /nfs/dbraw/zinc/34/26/53/575342653.db2.gz GQDNCFHORKHXKN-CYBMUJFWSA-N 1 1 302.378 3.270 20 5 DGBDMO O=[N+]([O-])c1ccc(Cl)cc1C[N@@H+]1CCC[C@H](c2cc[nH]n2)C1 ZINC000746660965 575467647 /nfs/dbraw/zinc/46/76/47/575467647.db2.gz CKOYIRCZZGSUBX-NSHDSACASA-N 1 1 320.780 3.351 20 5 DGBDMO O=[N+]([O-])c1ccc(Cl)cc1C[N@H+]1CCC[C@H](c2cc[nH]n2)C1 ZINC000746660965 575467649 /nfs/dbraw/zinc/46/76/49/575467649.db2.gz CKOYIRCZZGSUBX-NSHDSACASA-N 1 1 320.780 3.351 20 5 DGBDMO CC(C)C[C@H]1CCC[N@H+]1Cn1ncc2ccc([N+](=O)[O-])cc21 ZINC000748792965 575607616 /nfs/dbraw/zinc/60/76/16/575607616.db2.gz USAJXACHKFQLEW-CQSZACIVSA-N 1 1 302.378 3.413 20 5 DGBDMO C[C@H]1C[N@@H+](Cn2c3cc([N+](=O)[O-])ccc3oc2=S)C[C@H]1C ZINC000751932253 575812673 /nfs/dbraw/zinc/81/26/73/575812673.db2.gz ZIDBYVMEZWZCKD-AOOOYVTPSA-N 1 1 307.375 3.417 20 5 DGBDMO O=[N+]([O-])c1cccc([C@H](O)C[N@H+]2CCC[C@H](C3CCC3)C2)c1 ZINC000852673368 620639563 /nfs/dbraw/zinc/63/95/63/620639563.db2.gz HVIFCUIZYOQOAT-DOTOQJQBSA-N 1 1 304.390 3.140 20 5 DGBDMO O=[N+]([O-])c1cccc([C@@H](O)C[N@H+]2CCC[C@@H]3CCCC[C@@H]32)c1 ZINC000852788023 620648777 /nfs/dbraw/zinc/64/87/77/620648777.db2.gz UGUTVPCKGDUYDQ-JQFCIGGWSA-N 1 1 304.390 3.283 20 5 DGBDMO Cc1[nH]c(CSCCOc2ccc([N+](=O)[O-])cc2)c(C)[nH+]1 ZINC000918150709 620699217 /nfs/dbraw/zinc/69/92/17/620699217.db2.gz AFIGGHHAIIKQLG-UHFFFAOYSA-N 1 1 307.375 3.247 20 5 DGBDMO Cc1cccc(C)c1[C@@H]1CCC[N@@H+]1Cn1nccc1[N+](=O)[O-] ZINC000853523007 620705838 /nfs/dbraw/zinc/70/58/38/620705838.db2.gz QUMBIPLUOHTUGX-AWEZNQCLSA-N 1 1 300.362 3.203 20 5 DGBDMO Cc1cccc(C)c1[C@@H]1CCC[N@H+]1Cn1nccc1[N+](=O)[O-] ZINC000853523007 620705842 /nfs/dbraw/zinc/70/58/42/620705842.db2.gz QUMBIPLUOHTUGX-AWEZNQCLSA-N 1 1 300.362 3.203 20 5 DGBDMO Cc1nn(C[N@@H+](C)C[C@@H]2CCc3ccccc32)c(C)c1[N+](=O)[O-] ZINC000853611302 620715633 /nfs/dbraw/zinc/71/56/33/620715633.db2.gz XYFCKKYRAYMNKI-HNNXBMFYSA-N 1 1 314.389 3.027 20 5 DGBDMO CC(C)[N@H+]1CCC[C@H]1c1nc(-c2cccc([N+](=O)[O-])c2)no1 ZINC000923773553 618032888 /nfs/dbraw/zinc/03/28/88/618032888.db2.gz MMHWWCCYUKFINC-ZDUSSCGKSA-N 1 1 302.334 3.190 20 5 DGBDMO C[N@@H+](CCc1ccccc1[N+](=O)[O-])Cc1cnn(C2CCC2)c1 ZINC000894390349 618303465 /nfs/dbraw/zinc/30/34/65/618303465.db2.gz BUPJLQRMUOMFNW-UHFFFAOYSA-N 1 1 314.389 3.191 20 5 DGBDMO CCn1nc(C)c(C[NH2+]Cc2ccc(Cl)cc2[N+](=O)[O-])c1C ZINC000892853161 618330189 /nfs/dbraw/zinc/33/01/89/618330189.db2.gz JOGLPOMCHJYGKA-UHFFFAOYSA-N 1 1 322.796 3.371 20 5 DGBDMO Cc1ncoc1C[NH2+]Cc1cc([N+](=O)[O-])cc(C(F)(F)F)c1 ZINC000894579143 618392252 /nfs/dbraw/zinc/39/22/52/618392252.db2.gz GTEBVSGLSHVBFA-UHFFFAOYSA-N 1 1 315.251 3.200 20 5 DGBDMO COc1c(O)ccc(C[NH+]2CC3(C2)CCCCC3)c1[N+](=O)[O-] ZINC000894822185 618466651 /nfs/dbraw/zinc/46/66/51/618466651.db2.gz OQZHOEHARVTPAT-UHFFFAOYSA-N 1 1 306.362 3.075 20 5 DGBDMO CCC1([NH3+])CCN([C@@H](Cc2ccccc2[N+](=O)[O-])C2CC2)CC1 ZINC000925756611 618601163 /nfs/dbraw/zinc/60/11/63/618601163.db2.gz MQLSWLWRFMSINI-KRWDZBQOSA-N 1 1 317.433 3.119 20 5 DGBDMO Cc1ccnc(N)c1C[N@H+](Cc1ccc([N+](=O)[O-])cc1)C(C)C ZINC000893945692 618681582 /nfs/dbraw/zinc/68/15/82/618681582.db2.gz JULMYFNXJNVHTJ-UHFFFAOYSA-N 1 1 314.389 3.291 20 5 DGBDMO Cc1ccc([N+](=O)[O-])c(C)c1C[N@H+]1CC[C@@H]([C@H]2CCCO2)C1 ZINC000895846703 618841050 /nfs/dbraw/zinc/84/10/50/618841050.db2.gz WSKHIURUFAOLMP-RHSMWYFYSA-N 1 1 304.390 3.213 20 5 DGBDMO C[C@@H]1[C@H](NCc2cc(Cl)cc(Cl)c2[N+](=O)[O-])CC[N@@H+]1C ZINC000896555890 618928357 /nfs/dbraw/zinc/92/83/57/618928357.db2.gz RQECZMDLDGZNQW-PRHODGIISA-N 1 1 318.204 3.084 20 5 DGBDMO C[C@@H]1[C@H](NCc2cc(Cl)cc(Cl)c2[N+](=O)[O-])CC[N@H+]1C ZINC000896555890 618928358 /nfs/dbraw/zinc/92/83/58/618928358.db2.gz RQECZMDLDGZNQW-PRHODGIISA-N 1 1 318.204 3.084 20 5 DGBDMO C[C@H]1CC[N@H+](Cc2ccc(C(F)(F)F)cc2[N+](=O)[O-])CCO1 ZINC000896580790 618930036 /nfs/dbraw/zinc/93/00/36/618930036.db2.gz WAKNLGHHQDVTQD-JTQLQIEISA-N 1 1 318.295 3.224 20 5 DGBDMO C[C@H]1CC[N@@H+](Cc2ccc(C(F)(F)F)cc2[N+](=O)[O-])CCO1 ZINC000896580790 618930040 /nfs/dbraw/zinc/93/00/40/618930040.db2.gz WAKNLGHHQDVTQD-JTQLQIEISA-N 1 1 318.295 3.224 20 5 DGBDMO CCN1CC[C@H]([NH2+]C[C@@H](C)c2ccccc2[N+](=O)[O-])[C@H](C)C1 ZINC000897465719 619130579 /nfs/dbraw/zinc/13/05/79/619130579.db2.gz GZQPHMWGCTZUIR-FMKPAKJESA-N 1 1 305.422 3.018 20 5 DGBDMO C[C@@H]([NH2+]Cc1ccccc1[N+](=O)[O-])c1ccnn1CC1CCC1 ZINC000925309506 619158008 /nfs/dbraw/zinc/15/80/08/619158008.db2.gz DZSBTBIFMUDPBV-CYBMUJFWSA-N 1 1 314.389 3.442 20 5 DGBDMO CC(C)[N@@H+]1CCC[C@H]1C(=O)O[C@H](C)c1cccc([N+](=O)[O-])c1 ZINC000923891699 619259420 /nfs/dbraw/zinc/25/94/20/619259420.db2.gz AUUIERWOYXNHPW-DOMZBBRYSA-N 1 1 306.362 3.072 20 5 DGBDMO CC(C)[N@H+]1CCC[C@H]1C(=O)O[C@H](C)c1cccc([N+](=O)[O-])c1 ZINC000923891699 619259421 /nfs/dbraw/zinc/25/94/21/619259421.db2.gz AUUIERWOYXNHPW-DOMZBBRYSA-N 1 1 306.362 3.072 20 5 DGBDMO Cc1cc(C)c([N+](=O)[O-])cc1NC(=O)[C@H]1CC[C@@H]2CCCC[N@@H+]12 ZINC000899936963 619384567 /nfs/dbraw/zinc/38/45/67/619384567.db2.gz KOCVAOHHQIZNDM-DZGCQCFKSA-N 1 1 317.389 3.167 20 5 DGBDMO COc1cc([C@H](C)[NH2+][C@H](C)c2ccccn2)cc([N+](=O)[O-])c1 ZINC000903055453 619706971 /nfs/dbraw/zinc/70/69/71/619706971.db2.gz GMJOYEPSFHWPLN-NWDGAFQWSA-N 1 1 301.346 3.410 20 5 DGBDMO CC[C@H]([NH2+]Cc1cc(N(C)C)ccn1)c1cccc([N+](=O)[O-])c1 ZINC000903201232 619735253 /nfs/dbraw/zinc/73/52/53/619735253.db2.gz GNBBUPYJDUIGLR-KRWDZBQOSA-N 1 1 314.389 3.297 20 5 DGBDMO C[C@@H]([NH2+][C@@H](C)c1cc2n(n1)CCC2)c1ccc([N+](=O)[O-])cc1 ZINC000903287021 619754398 /nfs/dbraw/zinc/75/43/98/619754398.db2.gz LUXLIPYYCBEKLB-NEPJUHHUSA-N 1 1 300.362 3.149 20 5 DGBDMO CC(C)[N@@H+]1CCC[C@H]1C(=O)O[C@@H](C)c1ccccc1[N+](=O)[O-] ZINC000906118295 620059739 /nfs/dbraw/zinc/05/97/39/620059739.db2.gz FOFSQZPQDVVLIW-WFASDCNBSA-N 1 1 306.362 3.072 20 5 DGBDMO CC(C)[N@H+]1CCC[C@H]1C(=O)O[C@@H](C)c1ccccc1[N+](=O)[O-] ZINC000906118295 620059741 /nfs/dbraw/zinc/05/97/41/620059741.db2.gz FOFSQZPQDVVLIW-WFASDCNBSA-N 1 1 306.362 3.072 20 5 DGBDMO CCCCC[N@@H+](CCO)Cc1ccc(Cl)c([N+](=O)[O-])c1 ZINC000153936045 620624997 /nfs/dbraw/zinc/62/49/97/620624997.db2.gz IILXBWRMVVDKIF-UHFFFAOYSA-N 1 1 300.786 3.233 20 5 DGBDMO COc1ccc([C@H](C)[NH2+]Cc2cc([O-])ccc2[N+](=O)[O-])cc1C ZINC000922672803 621078060 /nfs/dbraw/zinc/07/80/60/621078060.db2.gz YXYGFVSKJDMBOI-LBPRGKRZSA-N 1 1 316.357 3.468 20 5 DGBDMO C[C@@H]1C[NH+](Cc2cc(F)ccc2[N+](=O)[O-])C[C@@H](C)C1(F)F ZINC000859412851 621276024 /nfs/dbraw/zinc/27/60/24/621276024.db2.gz ZENGBTPOJMHKTJ-NXEZZACHSA-N 1 1 302.296 3.457 20 5 DGBDMO C[C@@H]1CSCC[N@H+](Cc2cc(Cl)ccc2[N+](=O)[O-])C1 ZINC000753832833 621467808 /nfs/dbraw/zinc/46/78/08/621467808.db2.gz FBHBUAXMHLSZSL-JTQLQIEISA-N 1 1 300.811 3.433 20 5 DGBDMO C[C@@H]1CSCC[N@@H+](Cc2cc(Cl)ccc2[N+](=O)[O-])C1 ZINC000753832833 621467812 /nfs/dbraw/zinc/46/78/12/621467812.db2.gz FBHBUAXMHLSZSL-JTQLQIEISA-N 1 1 300.811 3.433 20 5 DGBDMO Cn1cc(C(C)(C)[NH2+]Cc2cc(Cl)ccc2[N+](=O)[O-])cn1 ZINC000754872161 621538631 /nfs/dbraw/zinc/53/86/31/621538631.db2.gz PLHWXYJIRBAJFJ-UHFFFAOYSA-N 1 1 308.769 3.007 20 5 DGBDMO O=[N+]([O-])c1ccc(Cl)cc1C[N@H+]1CC[C@H](C2CCOCC2)C1 ZINC000755056096 621549252 /nfs/dbraw/zinc/54/92/52/621549252.db2.gz CQQGXCDWADLPBD-ZDUSSCGKSA-N 1 1 324.808 3.497 20 5 DGBDMO CCOc1cc(C[N@@H+]2CC[C@H](C(F)(F)F)C2)ccc1[N+](=O)[O-] ZINC000755064205 621549800 /nfs/dbraw/zinc/54/98/00/621549800.db2.gz JHBINKQBTYXUJJ-NSHDSACASA-N 1 1 318.295 3.378 20 5 DGBDMO CCOc1cc(C[N@H+]2CC[C@H](C(F)(F)F)C2)ccc1[N+](=O)[O-] ZINC000755064205 621549801 /nfs/dbraw/zinc/54/98/01/621549801.db2.gz JHBINKQBTYXUJJ-NSHDSACASA-N 1 1 318.295 3.378 20 5 DGBDMO O=[N+]([O-])c1ccc(Cl)c(C[NH2+]Cc2cnn3ccccc23)c1 ZINC000756900692 621671659 /nfs/dbraw/zinc/67/16/59/621671659.db2.gz XMTLIBBDBWYHTL-UHFFFAOYSA-N 1 1 316.748 3.186 20 5 DGBDMO Cc1c(CO[NH+]=C(N)CCC(F)(F)F)cccc1[N+](=O)[O-] ZINC000863489898 621677801 /nfs/dbraw/zinc/67/78/01/621677801.db2.gz WRRIDOCHDUDJKB-UHFFFAOYSA-N 1 1 305.256 3.244 20 5 DGBDMO Cc1cc(Cc2noc([C@H]([NH3+])CCC(C)C)n2)ccc1[N+](=O)[O-] ZINC000863663459 621697077 /nfs/dbraw/zinc/69/70/77/621697077.db2.gz CEPKOAQEQNONEB-CYBMUJFWSA-N 1 1 318.377 3.313 20 5 DGBDMO O=[N+]([O-])c1ccc(C[N@@H+]2C[C@@H](O)C[C@H]2c2ccccc2)cc1F ZINC000839635174 621703000 /nfs/dbraw/zinc/70/30/00/621703000.db2.gz GQHQMJKOAFWLID-YOEHRIQHSA-N 1 1 316.332 3.042 20 5 DGBDMO O=[N+]([O-])c1ccc(C[N@H+]2C[C@@H](O)C[C@H]2c2ccccc2)cc1F ZINC000839635174 621703001 /nfs/dbraw/zinc/70/30/01/621703001.db2.gz GQHQMJKOAFWLID-YOEHRIQHSA-N 1 1 316.332 3.042 20 5 DGBDMO O=[N+]([O-])c1ccc(C[N@H+]2CC[C@H](C3CCC3)C2)c([N+](=O)[O-])c1 ZINC000839680961 621711714 /nfs/dbraw/zinc/71/17/14/621711714.db2.gz POUXIGYVKQQSKK-LBPRGKRZSA-N 1 1 305.334 3.125 20 5 DGBDMO CCOc1cc(CO[NH+]=C(N)C2CCCC2)ccc1[N+](=O)[O-] ZINC000757718541 621735935 /nfs/dbraw/zinc/73/59/35/621735935.db2.gz VBNFUIBVMSKISX-UHFFFAOYSA-N 1 1 307.350 3.182 20 5 DGBDMO C[N@H+]1CC[C@@]2(CCN(c3ccc([N+](=O)[O-])cc3C(F)F)C2)C1 ZINC000865827242 622002246 /nfs/dbraw/zinc/00/22/46/622002246.db2.gz FXGOULAGYBFTNG-OAHLLOKOSA-N 1 1 311.332 3.064 20 5 DGBDMO Cc1cccc2c1C[N@H+](Cn1ncc3cc([N+](=O)[O-])ccc31)CC2 ZINC000762088413 622052042 /nfs/dbraw/zinc/05/20/42/622052042.db2.gz UZWPOMHMAMLCHM-UHFFFAOYSA-N 1 1 322.368 3.269 20 5 DGBDMO Cc1cccc2c1C[N@@H+](Cn1ncc3cc([N+](=O)[O-])ccc31)CC2 ZINC000762088413 622052044 /nfs/dbraw/zinc/05/20/44/622052044.db2.gz UZWPOMHMAMLCHM-UHFFFAOYSA-N 1 1 322.368 3.269 20 5 DGBDMO Cc1nn(C[N@@H+]2CCSC(C)(C)C2)c2ccc([N+](=O)[O-])cc12 ZINC000765071218 622243626 /nfs/dbraw/zinc/24/36/26/622243626.db2.gz QJNPSVKTXVFCOR-UHFFFAOYSA-N 1 1 320.418 3.038 20 5 DGBDMO Cc1nn(C[N@H+]2CCSC(C)(C)C2)c2ccc([N+](=O)[O-])cc12 ZINC000765071218 622243627 /nfs/dbraw/zinc/24/36/27/622243627.db2.gz QJNPSVKTXVFCOR-UHFFFAOYSA-N 1 1 320.418 3.038 20 5 DGBDMO Cc1ccc([N+](=O)[O-])cc1[C@@H](C)NC[C@H](C)[NH+]1CCCCC1 ZINC000765257478 622254400 /nfs/dbraw/zinc/25/44/00/622254400.db2.gz YKDKLRAQQKSICG-LSDHHAIUSA-N 1 1 305.422 3.428 20 5 DGBDMO C[N@H+](Cc1cccc2nsnc21)Cc1ccccc1[N+](=O)[O-] ZINC000766012789 622300067 /nfs/dbraw/zinc/30/00/67/622300067.db2.gz STLXYPKETNGXQY-UHFFFAOYSA-N 1 1 314.370 3.232 20 5 DGBDMO C[N@@H+](Cc1cccc2nsnc21)Cc1ccccc1[N+](=O)[O-] ZINC000766012789 622300068 /nfs/dbraw/zinc/30/00/68/622300068.db2.gz STLXYPKETNGXQY-UHFFFAOYSA-N 1 1 314.370 3.232 20 5 DGBDMO CC[N@H+]1C[C@H](C)N(Cc2cc(Cl)ccc2[N+](=O)[O-])C[C@@H]1C ZINC000766248912 622314899 /nfs/dbraw/zinc/31/48/99/622314899.db2.gz JGTHFGNDGBEZHM-RYUDHWBXSA-N 1 1 311.813 3.163 20 5 DGBDMO CCOc1ccc([C@H](C)[NH2+]Cc2cc(CC)n[nH]2)cc1[N+](=O)[O-] ZINC000768106770 622438742 /nfs/dbraw/zinc/43/87/42/622438742.db2.gz VPXFIZRWWBSFDC-NSHDSACASA-N 1 1 318.377 3.130 20 5 DGBDMO Cc1[nH+]ccn1CCCCOC(=O)c1c(C)cccc1[N+](=O)[O-] ZINC000769096748 622498212 /nfs/dbraw/zinc/49/82/12/622498212.db2.gz KDJNYEQMUFSGCT-UHFFFAOYSA-N 1 1 317.345 3.045 20 5 DGBDMO C[C@@H]([NH2+][C@@H]1CCCc2c1cnn2C)c1c(F)cccc1[N+](=O)[O-] ZINC000872020953 622756082 /nfs/dbraw/zinc/75/60/82/622756082.db2.gz LOBCTLSJQUACHE-ZWNOBZJWSA-N 1 1 318.352 3.196 20 5 DGBDMO CSc1ccc([N+](=O)[O-])cc1[C@H](C)N[C@H]1CC[N@@H+](C2CC2)C1 ZINC000872033439 622765001 /nfs/dbraw/zinc/76/50/01/622765001.db2.gz HHSMTKYNQSJPDD-RYUDHWBXSA-N 1 1 321.446 3.204 20 5 DGBDMO CSc1ccc([N+](=O)[O-])cc1[C@H](C)N[C@H]1CC[N@H+](C2CC2)C1 ZINC000872033439 622765005 /nfs/dbraw/zinc/76/50/05/622765005.db2.gz HHSMTKYNQSJPDD-RYUDHWBXSA-N 1 1 321.446 3.204 20 5 DGBDMO C[C@@H]([NH2+]CCC(=O)OC(C)(C)C)c1c(F)cccc1[N+](=O)[O-] ZINC000872040043 622768347 /nfs/dbraw/zinc/76/83/47/622768347.db2.gz WHUJYHNOUZJEIO-SNVBAGLBSA-N 1 1 312.341 3.116 20 5 DGBDMO Cc1ccsc1[C@H](CO)[NH2+][C@H](C)c1c(F)cccc1[N+](=O)[O-] ZINC000872048224 622774667 /nfs/dbraw/zinc/77/46/67/622774667.db2.gz HNDGGZYRFICVSK-PWSUYJOCSA-N 1 1 324.377 3.488 20 5 DGBDMO CCOC(=O)C1=CC[C@@H]([NH2+][C@H](C)c2c(F)cccc2[N+](=O)[O-])C1 ZINC000872089737 622799117 /nfs/dbraw/zinc/79/91/17/622799117.db2.gz CXGYFUUPSPDPQX-ZYHUDNBSSA-N 1 1 322.336 3.036 20 5 DGBDMO CC1(C)[C@H]2[C@H](CCC[N@@H+]2Cc2ccc(Cl)c([N+](=O)[O-])c2)[C@@H]1O ZINC000872259616 622869240 /nfs/dbraw/zinc/86/92/40/622869240.db2.gz YXLIGUVDLVDEBS-GLQYFDAESA-N 1 1 324.808 3.230 20 5 DGBDMO CC1(C)[C@H]2[C@H](CCC[N@H+]2Cc2ccc(Cl)c([N+](=O)[O-])c2)[C@@H]1O ZINC000872259616 622869249 /nfs/dbraw/zinc/86/92/49/622869249.db2.gz YXLIGUVDLVDEBS-GLQYFDAESA-N 1 1 324.808 3.230 20 5 DGBDMO C[C@@H]1CC[N@@H+](Cc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])CC1(C)C ZINC000775062630 623224571 /nfs/dbraw/zinc/22/45/71/623224571.db2.gz FJVGSSMZLNAADG-LLVKDONJSA-N 1 1 307.350 3.371 20 5 DGBDMO Cc1ccc(C[N@@H+](C)C[C@@H](O)c2ccc([N+](=O)[O-])cc2)cc1 ZINC000776270225 623404419 /nfs/dbraw/zinc/40/44/19/623404419.db2.gz AYTRBTGZPLNXFF-QGZVFWFLSA-N 1 1 300.358 3.069 20 5 DGBDMO Cc1ccccc1C[N@@H+](C)C[C@@H](O)c1ccc([N+](=O)[O-])cc1 ZINC000776272790 623405197 /nfs/dbraw/zinc/40/51/97/623405197.db2.gz WNIPLQCWWGDDJH-QGZVFWFLSA-N 1 1 300.358 3.069 20 5 DGBDMO C[N@@H+](CCCc1ccccc1)C[C@@H](O)c1ccc([N+](=O)[O-])cc1 ZINC000776277427 623405825 /nfs/dbraw/zinc/40/58/25/623405825.db2.gz PGSKLSCHNKGCGF-GOSISDBHSA-N 1 1 314.385 3.193 20 5 DGBDMO Cc1cccc(C[N@@H+](C)C[C@@H](O)c2ccc([N+](=O)[O-])cc2)c1 ZINC000776276413 623406115 /nfs/dbraw/zinc/40/61/15/623406115.db2.gz JQEITHBFLQQPSV-QGZVFWFLSA-N 1 1 300.358 3.069 20 5 DGBDMO C[C@@H]1C[C@@H]2CCCC[C@H]2[N@H+]1C[C@@H](O)c1ccc([N+](=O)[O-])cc1 ZINC000776587481 623444326 /nfs/dbraw/zinc/44/43/26/623444326.db2.gz IBJNYTJLQMATCB-JWZBEHFJSA-N 1 1 304.390 3.281 20 5 DGBDMO CC(C)(C)C1=CC[N@@H+](C[C@H](O)c2ccc([N+](=O)[O-])cc2)CC1 ZINC000776592824 623445407 /nfs/dbraw/zinc/44/54/07/623445407.db2.gz AVUYKMROKJDLJN-INIZCTEOSA-N 1 1 304.390 3.306 20 5 DGBDMO CC[C@H](c1ccncc1)[N@@H+](C)C[C@@H](O)c1ccc([N+](=O)[O-])cc1 ZINC000776602128 623446205 /nfs/dbraw/zinc/44/62/05/623446205.db2.gz SLIUXZWGYMLVDN-IAGOWNOFSA-N 1 1 315.373 3.106 20 5 DGBDMO CN1CCN(Cc2cc(Cl)ccc2[N+](=O)[O-])c2ccc[nH+]c21 ZINC000777712667 623559222 /nfs/dbraw/zinc/55/92/22/623559222.db2.gz JRJCQAKFIBNEFM-UHFFFAOYSA-N 1 1 318.764 3.100 20 5 DGBDMO CC(C)[C@H]1CC[N@@H+](Cn2cc(-c3cccc([N+](=O)[O-])c3)cn2)C1 ZINC000777963837 623592270 /nfs/dbraw/zinc/59/22/70/623592270.db2.gz MUBLZXMGHIMJHM-HNNXBMFYSA-N 1 1 314.389 3.394 20 5 DGBDMO C[N@H+](Cc1cc(Cl)ccc1[N+](=O)[O-])C[C@H]1CCCC[C@H]1O ZINC000778245432 623631228 /nfs/dbraw/zinc/63/12/28/623631228.db2.gz LPEHYJWEUXMUHO-IAQYHMDHSA-N 1 1 312.797 3.231 20 5 DGBDMO C[C@H]1C[C@@H](C[N@@H+](C)Cc2cc([N+](=O)[O-])ccc2Cl)CCO1 ZINC000778994776 623717780 /nfs/dbraw/zinc/71/77/80/623717780.db2.gz KTYOUQUNNOXBDT-RYUDHWBXSA-N 1 1 312.797 3.495 20 5 DGBDMO Cc1nn(C[N@@H+]2CC[C@H](Cc3ccccc3)[C@@H]2C)cc1[N+](=O)[O-] ZINC000779864389 623824380 /nfs/dbraw/zinc/82/43/80/623824380.db2.gz AXNPETFBMGGDMT-GOEBONIOSA-N 1 1 314.389 3.010 20 5 DGBDMO CC[C@@]1(CO)CCC[N@@H+](Cc2c(C)ccc([N+](=O)[O-])c2C)C1 ZINC000877438257 623881955 /nfs/dbraw/zinc/88/19/55/623881955.db2.gz MKZJCLOWSKESBU-QGZVFWFLSA-N 1 1 306.406 3.196 20 5 DGBDMO Cc1ccc([N+](=O)[O-])c(C)c1C[N@H+]1CCC[C@@H](CCO)CC1 ZINC000877595633 623955595 /nfs/dbraw/zinc/95/55/95/623955595.db2.gz AAYKHRJZEYPFHT-OAHLLOKOSA-N 1 1 306.406 3.196 20 5 DGBDMO O=[N+]([O-])c1ccc(C[N@H+]2CC[C@@H]3CSC[C@@H]3C2)cc1Cl ZINC000877738583 624012753 /nfs/dbraw/zinc/01/27/53/624012753.db2.gz OPJYVIDEUQSEFE-NEPJUHHUSA-N 1 1 312.822 3.433 20 5 DGBDMO COc1ccc(C[N@@H+]2CC[C@@](C)(C(F)(F)F)C2)cc1[N+](=O)[O-] ZINC000877813093 624044531 /nfs/dbraw/zinc/04/45/31/624044531.db2.gz WFJHTINVYSQNKX-CYBMUJFWSA-N 1 1 318.295 3.378 20 5 DGBDMO COc1ccc(C[N@H+]2CC[C@@](C)(C(F)(F)F)C2)cc1[N+](=O)[O-] ZINC000877813093 624044539 /nfs/dbraw/zinc/04/45/39/624044539.db2.gz WFJHTINVYSQNKX-CYBMUJFWSA-N 1 1 318.295 3.378 20 5 DGBDMO Cc1csc([C@@H]2CC[N@@H+](CCc3ccc([N+](=O)[O-])cc3)C2)n1 ZINC000877814062 624046651 /nfs/dbraw/zinc/04/66/51/624046651.db2.gz NGECHCKECKAFDI-CQSZACIVSA-N 1 1 317.414 3.392 20 5 DGBDMO COC(=O)CC[C@H]1CCC[N@@H+](Cc2cccc([N+](=O)[O-])c2C)C1 ZINC000877816657 624048638 /nfs/dbraw/zinc/04/86/38/624048638.db2.gz BQWVOIDCAIBSRI-CQSZACIVSA-N 1 1 320.389 3.068 20 5 DGBDMO C[C@H]1C[N@H+](Cc2cccc([N+](=O)[O-])c2)CC[C@@H](C(F)(F)F)O1 ZINC000877823599 624056515 /nfs/dbraw/zinc/05/65/15/624056515.db2.gz MRLAYGCYKZVNQP-GWCFXTLKSA-N 1 1 318.295 3.137 20 5 DGBDMO C[C@H]1C[N@@H+](Cc2cccc([N+](=O)[O-])c2)CC[C@@H](C(F)(F)F)O1 ZINC000877823599 624056519 /nfs/dbraw/zinc/05/65/19/624056519.db2.gz MRLAYGCYKZVNQP-GWCFXTLKSA-N 1 1 318.295 3.137 20 5 DGBDMO C[C@@H]1CCCC[N@H+]1Cc1nnc(-c2ccccc2[N+](=O)[O-])o1 ZINC000877935029 624100493 /nfs/dbraw/zinc/10/04/93/624100493.db2.gz GMVAZROWUXNHSF-LLVKDONJSA-N 1 1 302.334 3.019 20 5 DGBDMO C[N@@H+](Cc1nnc(-c2ccccc2[N+](=O)[O-])o1)CC(C)(C)C ZINC000878039061 624144912 /nfs/dbraw/zinc/14/49/12/624144912.db2.gz WOIADFPMPZYYLZ-UHFFFAOYSA-N 1 1 304.350 3.123 20 5 DGBDMO O=[N+]([O-])c1cccc2c1CC[N@H+](C[C@@H]1CCC3(CCC3)O1)C2 ZINC000878302913 624239684 /nfs/dbraw/zinc/23/96/84/624239684.db2.gz ANWUFDPHSVSJDU-AWEZNQCLSA-N 1 1 302.374 3.055 20 5 DGBDMO O=[N+]([O-])c1cccc2c1CC[N@@H+](C[C@@H]1CCC3(CCC3)O1)C2 ZINC000878302913 624239688 /nfs/dbraw/zinc/23/96/88/624239688.db2.gz ANWUFDPHSVSJDU-AWEZNQCLSA-N 1 1 302.374 3.055 20 5 DGBDMO C[C@H]1CC[N@@H+](Cc2nnc(-c3ccccc3[N+](=O)[O-])o2)C[C@H]1C ZINC000878332384 624247295 /nfs/dbraw/zinc/24/72/95/624247295.db2.gz NYBBQKQTRCANIP-NWDGAFQWSA-N 1 1 316.361 3.123 20 5 DGBDMO CC[C@H]1CC[C@@H](C)[N@H+]1CCC(=O)Nc1cc([N+](=O)[O-])ccc1F ZINC000782532326 624261189 /nfs/dbraw/zinc/26/11/89/624261189.db2.gz SQPNWRVLSZWKFF-NEPJUHHUSA-N 1 1 323.368 3.325 20 5 DGBDMO Cn1cc(C[N@@H+]2CCCC[C@H]2c2ccccc2)c([N+](=O)[O-])n1 ZINC000878433509 624276578 /nfs/dbraw/zinc/27/65/78/624276578.db2.gz FTXHLYKAKXWDNY-HNNXBMFYSA-N 1 1 300.362 3.056 20 5 DGBDMO Cn1cc(C[N@H+]2CCCC[C@H]2c2ccccc2)c([N+](=O)[O-])n1 ZINC000878433509 624276579 /nfs/dbraw/zinc/27/65/79/624276579.db2.gz FTXHLYKAKXWDNY-HNNXBMFYSA-N 1 1 300.362 3.056 20 5 DGBDMO CC[C@H]1[C@H](C)CC[N@H+]1Cc1nnc(-c2ccccc2[N+](=O)[O-])o1 ZINC000878453337 624281654 /nfs/dbraw/zinc/28/16/54/624281654.db2.gz RTPKSECIVOQMCB-YPMHNXCESA-N 1 1 316.361 3.265 20 5 DGBDMO C[N@@H+](CCc1cccc([N+](=O)[O-])c1)C[C@H]1CCC2(CCC2)O1 ZINC000878566369 624309587 /nfs/dbraw/zinc/30/95/87/624309587.db2.gz ZOIAPVMDEYUUGA-MRXNPFEDSA-N 1 1 304.390 3.171 20 5 DGBDMO C[N@@H+](CCc1ccccc1[N+](=O)[O-])C[C@H]1CCC2(CCC2)O1 ZINC000878599404 624318522 /nfs/dbraw/zinc/31/85/22/624318522.db2.gz YEHWFJBNNZEISO-OAHLLOKOSA-N 1 1 304.390 3.171 20 5 DGBDMO CC[N@H+]1C[C@H](C)N(Cc2ccc([N+](=O)[O-])c(Cl)c2)C[C@@H]1C ZINC000783569437 624367628 /nfs/dbraw/zinc/36/76/28/624367628.db2.gz GTLVXHHFLPQLBH-RYUDHWBXSA-N 1 1 311.813 3.163 20 5 DGBDMO O=[N+]([O-])c1ccc(C[N@H+]2CC[C@@H](C3CCOCC3)C2)cc1Cl ZINC000783572458 624368416 /nfs/dbraw/zinc/36/84/16/624368416.db2.gz ITPJCYAORPXVHI-CQSZACIVSA-N 1 1 324.808 3.497 20 5 DGBDMO CC(C)(C)[C@H]1CC[N@@H+](Cn2ncc3ccc([N+](=O)[O-])cc32)C1 ZINC000784034514 624425817 /nfs/dbraw/zinc/42/58/17/624425817.db2.gz KRCGRJYARQDCFQ-ZDUSSCGKSA-N 1 1 302.378 3.270 20 5 DGBDMO O=[N+]([O-])c1ccc(Cl)cc1C[N@@H+]1CC[C@H](O)[C@H]2CCCC[C@H]21 ZINC000879419306 624540440 /nfs/dbraw/zinc/54/04/40/624540440.db2.gz LFOPMJIDEFDDIE-IMJJTQAJSA-N 1 1 324.808 3.374 20 5 DGBDMO O=[N+]([O-])c1ccc(Cl)cc1C[N@@H+]1CC[C@H](O)[C@@H]2CCCC[C@H]21 ZINC000879419302 624540633 /nfs/dbraw/zinc/54/06/33/624540633.db2.gz LFOPMJIDEFDDIE-BMFZPTHFSA-N 1 1 324.808 3.374 20 5 DGBDMO O=[N+]([O-])c1cc(Cl)ccc1C[N@H+]1CC[C@H]2CSC[C@H]2C1 ZINC000879560653 624589750 /nfs/dbraw/zinc/58/97/50/624589750.db2.gz VJAPHKSXGUFCTD-NWDGAFQWSA-N 1 1 312.822 3.433 20 5 DGBDMO C[C@H](OC(=O)C[N@H+]1[C@H](C)CC[C@@H]1C)c1ccccc1[N+](=O)[O-] ZINC000785733208 624720011 /nfs/dbraw/zinc/72/00/11/624720011.db2.gz OJVDERSYUVDYDJ-XQQFMLRXSA-N 1 1 306.362 3.072 20 5 DGBDMO C[C@H](OC(=O)C[N@@H+]1[C@H](C)CC[C@@H]1C)c1ccccc1[N+](=O)[O-] ZINC000785733208 624720016 /nfs/dbraw/zinc/72/00/16/624720016.db2.gz OJVDERSYUVDYDJ-XQQFMLRXSA-N 1 1 306.362 3.072 20 5 DGBDMO C[C@@H](OC(=O)C[N@H+]1[C@H](C)CC[C@@H]1C)c1cccc([N+](=O)[O-])c1 ZINC000785745399 624722914 /nfs/dbraw/zinc/72/29/14/624722914.db2.gz SXMXIIPBBFMMEB-FRRDWIJNSA-N 1 1 306.362 3.072 20 5 DGBDMO C[C@@H](OC(=O)C[N@@H+]1[C@H](C)CC[C@@H]1C)c1cccc([N+](=O)[O-])c1 ZINC000785745399 624722919 /nfs/dbraw/zinc/72/29/19/624722919.db2.gz SXMXIIPBBFMMEB-FRRDWIJNSA-N 1 1 306.362 3.072 20 5 DGBDMO Cc1ncc([N+](=O)[O-])n1CC[N@H+]1CCC[C@]1(C)c1ccccc1 ZINC000880371650 624939384 /nfs/dbraw/zinc/93/93/84/624939384.db2.gz MUUWBVVVQMUWPX-QGZVFWFLSA-N 1 1 314.389 3.111 20 5 DGBDMO O=[N+]([O-])c1ccc(F)cc1C[NH+]1CCC2(CCCCO2)CC1 ZINC000880455144 624959460 /nfs/dbraw/zinc/95/94/60/624959460.db2.gz UXMYNUFIFHUBJB-UHFFFAOYSA-N 1 1 308.353 3.269 20 5 DGBDMO CC[C@@H]1CCCC[N@H+]1CCN[C@H](C)c1ccc(N)c([N+](=O)[O-])c1 ZINC000788613416 625229758 /nfs/dbraw/zinc/22/97/58/625229758.db2.gz WQMISGCCHDYWRQ-UKRRQHHQSA-N 1 1 320.437 3.092 20 5 DGBDMO CC[C@@H]1CCCCN1CC[NH2+][C@H](C)c1ccc(N)c([N+](=O)[O-])c1 ZINC000788613416 625229763 /nfs/dbraw/zinc/22/97/63/625229763.db2.gz WQMISGCCHDYWRQ-UKRRQHHQSA-N 1 1 320.437 3.092 20 5 DGBDMO CC[N@@H+](CCC(=O)Nc1cc([N+](=O)[O-])ccc1F)CC1CCC1 ZINC000796532224 626059052 /nfs/dbraw/zinc/05/90/52/626059052.db2.gz BDXHSIYEDYZNGO-UHFFFAOYSA-N 1 1 323.368 3.185 20 5 DGBDMO C[C@H](CO)[N@H+](Cc1cc([N+](=O)[O-])ccc1Cl)CC1CCC1 ZINC000796544622 626061007 /nfs/dbraw/zinc/06/10/07/626061007.db2.gz BRGOEFIEOQSEAZ-LLVKDONJSA-N 1 1 312.797 3.231 20 5 DGBDMO CC(C)(C)[C@H]1CCC[N@@H+](C[C@@H](O)c2cccc([N+](=O)[O-])c2)C1 ZINC000796576055 626063211 /nfs/dbraw/zinc/06/32/11/626063211.db2.gz RLBQIPQMMFEPDN-GOEBONIOSA-N 1 1 306.406 3.386 20 5 DGBDMO O=[N+]([O-])c1ccc(C[N@@H+]2CCC[C@H]2c2ccccn2)cc1F ZINC000801522199 626407189 /nfs/dbraw/zinc/40/71/89/626407189.db2.gz ZHQWSKPIRIUPEA-INIZCTEOSA-N 1 1 301.321 3.466 20 5 DGBDMO O=[N+]([O-])c1ccc(C[N@H+]2CCC[C@H]2c2ccccn2)cc1F ZINC000801522199 626407191 /nfs/dbraw/zinc/40/71/91/626407191.db2.gz ZHQWSKPIRIUPEA-INIZCTEOSA-N 1 1 301.321 3.466 20 5 DGBDMO C[C@@H]([NH2+]Cc1ccc([N+](=O)[O-])c(F)c1)c1ccccc1[N+](=O)[O-] ZINC000801534143 626408385 /nfs/dbraw/zinc/40/83/85/626408385.db2.gz UFLSTHKMXGVQQD-SNVBAGLBSA-N 1 1 319.292 3.493 20 5 DGBDMO Cc1ccccc1[C@H](O)C[N@@H+](C)CCc1cccc([N+](=O)[O-])c1 ZINC000801600979 626411933 /nfs/dbraw/zinc/41/19/33/626411933.db2.gz XLQICCAHNHJLST-GOSISDBHSA-N 1 1 314.385 3.111 20 5 DGBDMO C[C@H](OC(=O)CC[C@H]1CCCC[N@H+]1C)c1cccc([N+](=O)[O-])c1 ZINC000803858870 626645176 /nfs/dbraw/zinc/64/51/76/626645176.db2.gz KHKXOZQXMXNSMN-DZGCQCFKSA-N 1 1 320.389 3.464 20 5 DGBDMO CCc1ccc(NCc2cc(OC)c(OC)cc2[N+](=O)[O-])[nH+]c1 ZINC000883385114 626668872 /nfs/dbraw/zinc/66/88/72/626668872.db2.gz FIUGCUMJKAFWQN-UHFFFAOYSA-N 1 1 317.345 3.182 20 5 DGBDMO CC(=O)c1ccc([N+](=O)[O-])cc1NC[C@H](c1ccco1)[NH+](C)C ZINC000807916649 626777616 /nfs/dbraw/zinc/77/76/16/626777616.db2.gz ZQLKYKWPXZZAEI-OAHLLOKOSA-N 1 1 317.345 3.105 20 5 DGBDMO C[C@@H]1C[N@@H+](C)CC[C@@H]1N(C)Cc1ccc([N+](=O)[O-])c(Cl)c1 ZINC000809766463 626948972 /nfs/dbraw/zinc/94/89/72/626948972.db2.gz XYFIINSNHRDQRN-RISCZKNCSA-N 1 1 311.813 3.020 20 5 DGBDMO C[C@@H]1CN(C)CC[C@@H]1[N@H+](C)Cc1ccc([N+](=O)[O-])c(Cl)c1 ZINC000809766463 626948977 /nfs/dbraw/zinc/94/89/77/626948977.db2.gz XYFIINSNHRDQRN-RISCZKNCSA-N 1 1 311.813 3.020 20 5 DGBDMO C[C@@H]1CN(C)CC[C@@H]1[N@@H+](C)Cc1ccc([N+](=O)[O-])c(Cl)c1 ZINC000809766463 626948981 /nfs/dbraw/zinc/94/89/81/626948981.db2.gz XYFIINSNHRDQRN-RISCZKNCSA-N 1 1 311.813 3.020 20 5 DGBDMO CCCC[N@@H+](C)C[C@H](C)NCc1ccc([N+](=O)[O-])c(Cl)c1 ZINC000809792784 626954545 /nfs/dbraw/zinc/95/45/45/626954545.db2.gz GVSSCQRMKZBVDH-LBPRGKRZSA-N 1 1 313.829 3.458 20 5 DGBDMO CCCCN(C)C[C@H](C)[NH2+]Cc1ccc([N+](=O)[O-])c(Cl)c1 ZINC000809792784 626954547 /nfs/dbraw/zinc/95/45/47/626954547.db2.gz GVSSCQRMKZBVDH-LBPRGKRZSA-N 1 1 313.829 3.458 20 5 DGBDMO CCC[N@@H+](CC)C[C@@H](C)NCc1cc([N+](=O)[O-])ccc1Cl ZINC000810180221 626985154 /nfs/dbraw/zinc/98/51/54/626985154.db2.gz QYXRTBXDQHFMOR-GFCCVEGCSA-N 1 1 313.829 3.458 20 5 DGBDMO Cc1cccnc1[C@H]([NH2+]Cc1cccnc1[N+](=O)[O-])C(C)C ZINC000886067944 627097776 /nfs/dbraw/zinc/09/77/76/627097776.db2.gz QSHXMABQIMUZKM-CQSZACIVSA-N 1 1 300.362 3.180 20 5 DGBDMO COc1ccc(C)cc1[C@@H](C)[NH2+]Cc1cccnc1[N+](=O)[O-] ZINC000886104466 627105933 /nfs/dbraw/zinc/10/59/33/627105933.db2.gz CKQRFXHAMFWHRR-GFCCVEGCSA-N 1 1 301.346 3.158 20 5 DGBDMO O=[N+]([O-])c1ncccc1C[NH+]1CCC(F)(c2ccccc2)CC1 ZINC000886176947 627117771 /nfs/dbraw/zinc/11/77/71/627117771.db2.gz OSQBTHHUIBKVLQ-UHFFFAOYSA-N 1 1 315.348 3.451 20 5 DGBDMO C[C@@H]([NH2+]Cc1cccnc1[N+](=O)[O-])c1ccc2c(c1)CCCO2 ZINC000886288864 627131956 /nfs/dbraw/zinc/13/19/56/627131956.db2.gz JEFMUYFBKDYQGP-GFCCVEGCSA-N 1 1 313.357 3.166 20 5 DGBDMO C[N@@H+](CCCF)Cc1ccc(Br)cc1[N+](=O)[O-] ZINC000887142538 627229353 /nfs/dbraw/zinc/22/93/53/627229353.db2.gz OQAKTHOAHITHFF-UHFFFAOYSA-N 1 1 305.147 3.149 20 5 DGBDMO CCCC[N@@H+](C)C[C@@H](C)NC(=S)Nc1ccc([N+](=O)[O-])cc1 ZINC000811706257 627309141 /nfs/dbraw/zinc/30/91/41/627309141.db2.gz WTQLXVXUDYNNRN-GFCCVEGCSA-N 1 1 324.450 3.002 20 5 DGBDMO Cc1nn(C[N@@H+]2CCC(F)(F)[C@H](C)C2)c2ccc([N+](=O)[O-])cc12 ZINC000811781289 627322069 /nfs/dbraw/zinc/32/20/69/627322069.db2.gz XMPQFEIZVRIHSF-SNVBAGLBSA-N 1 1 324.331 3.188 20 5 DGBDMO Cc1nn(C[N@H+]2CCC(F)(F)[C@H](C)C2)c2ccc([N+](=O)[O-])cc12 ZINC000811781289 627322071 /nfs/dbraw/zinc/32/20/71/627322071.db2.gz XMPQFEIZVRIHSF-SNVBAGLBSA-N 1 1 324.331 3.188 20 5 DGBDMO CCCC[N@@H+](C)C[C@@H](C)Nc1cc([N+](=O)[O-])ccc1C(C)=O ZINC000811848428 627329689 /nfs/dbraw/zinc/32/96/89/627329689.db2.gz DSERMNILUQVKSQ-GFCCVEGCSA-N 1 1 307.394 3.330 20 5 DGBDMO C[C@H]1CCC[N@H+]1CCNc1nccc2ccc([N+](=O)[O-])cc21 ZINC000840270479 627429911 /nfs/dbraw/zinc/42/99/11/627429911.db2.gz PGLRKGKFRCCERO-LBPRGKRZSA-N 1 1 300.362 3.039 20 5 DGBDMO CCC/C=C/C(=O)O[C@H]1CC[N@H+](Cc2cccc([N+](=O)[O-])c2)C1 ZINC000813173084 627461627 /nfs/dbraw/zinc/46/16/27/627461627.db2.gz UIBJNSPAPSAJDE-YCOJEUHLSA-N 1 1 318.373 3.069 20 5 DGBDMO CCC/C=C/C(=O)O[C@H]1CC[N@@H+](Cc2cccc([N+](=O)[O-])c2)C1 ZINC000813173084 627461629 /nfs/dbraw/zinc/46/16/29/627461629.db2.gz UIBJNSPAPSAJDE-YCOJEUHLSA-N 1 1 318.373 3.069 20 5 DGBDMO CCCCCC(=O)O[C@H]1CC[N@H+](Cc2cccc([N+](=O)[O-])c2)C1 ZINC000813170236 627461656 /nfs/dbraw/zinc/46/16/56/627461656.db2.gz ABTJJMHQDFFMQJ-INIZCTEOSA-N 1 1 320.389 3.293 20 5 DGBDMO CCCCCC(=O)O[C@H]1CC[N@@H+](Cc2cccc([N+](=O)[O-])c2)C1 ZINC000813170236 627461658 /nfs/dbraw/zinc/46/16/58/627461658.db2.gz ABTJJMHQDFFMQJ-INIZCTEOSA-N 1 1 320.389 3.293 20 5 DGBDMO C[C@@H]1CN(c2ccc([N+](=O)[O-])cc2F)CC[N@H+](C2CCC2)C1 ZINC000813630784 627504605 /nfs/dbraw/zinc/50/46/05/627504605.db2.gz QZAFEHCHDFEFTL-LBPRGKRZSA-N 1 1 307.369 3.045 20 5 DGBDMO Cc1c(-c2noc([C@@H]3CCC[N@@H+]3C(C)C)n2)cccc1[N+](=O)[O-] ZINC000924093572 627601610 /nfs/dbraw/zinc/60/16/10/627601610.db2.gz TZMCLMGLELKCSH-AWEZNQCLSA-N 1 1 316.361 3.499 20 5 DGBDMO C[N@H+]1CCC[C@@]2(CCN(c3ccc([N+](=O)[O-])cc3Cl)C2)C1 ZINC000814909363 627606397 /nfs/dbraw/zinc/60/63/97/627606397.db2.gz KAYJBNUJAKHVAV-OAHLLOKOSA-N 1 1 309.797 3.170 20 5 DGBDMO Cc1csc([C@@H](C)[NH2+][C@H](C)c2ccc(N)c([N+](=O)[O-])c2)n1 ZINC000815574202 627686159 /nfs/dbraw/zinc/68/61/59/627686159.db2.gz HYKUEEPATDEAMR-NXEZZACHSA-N 1 1 306.391 3.354 20 5 DGBDMO C[C@@H]([NH2+]Cc1ccccc1[N+](=O)[O-])c1cccc2c1OCO2 ZINC000925311857 627729128 /nfs/dbraw/zinc/72/91/28/627729128.db2.gz WLNBCJVACIWFQF-LLVKDONJSA-N 1 1 300.314 3.174 20 5 DGBDMO C[C@@H](c1cccc([N+](=O)[O-])c1)[N@@H+]1CCOc2ccc(N)cc2C1 ZINC000925750326 627787535 /nfs/dbraw/zinc/78/75/35/627787535.db2.gz PWCXXVQHAOTWCE-LBPRGKRZSA-N 1 1 313.357 3.133 20 5 DGBDMO C[C@@H](c1cccc([N+](=O)[O-])c1)[N@H+]1CCOc2ccc(N)cc2C1 ZINC000925750326 627787538 /nfs/dbraw/zinc/78/75/38/627787538.db2.gz PWCXXVQHAOTWCE-LBPRGKRZSA-N 1 1 313.357 3.133 20 5 DGBDMO C[N@H+]1CCC[C@]2(CCN(Cc3ccc([N+](=O)[O-])c(Cl)c3)C2)C1 ZINC000816642205 627818124 /nfs/dbraw/zinc/81/81/24/627818124.db2.gz RVYVZPWLKUKROR-INIZCTEOSA-N 1 1 323.824 3.166 20 5 DGBDMO O=[N+]([O-])c1cccc([C@H](O)C[N@H+]2CC[C@@H](C3CCCC3)C2)c1 ZINC000817282439 627876362 /nfs/dbraw/zinc/87/63/62/627876362.db2.gz FDEPHYYNUFPUJC-NVXWUHKLSA-N 1 1 304.390 3.140 20 5 DGBDMO Cc1cc(NC(=O)/C=C/c2ccc([N+](=O)[O-])cc2)cn2cc[nH+]c12 ZINC000818056307 627991184 /nfs/dbraw/zinc/99/11/84/627991184.db2.gz JPSRKZWPWLEDHF-QPJJXVBHSA-N 1 1 322.324 3.203 20 5 DGBDMO Cc1[nH+]ccn1CCCNc1cc(Cl)c(F)cc1[N+](=O)[O-] ZINC000820664673 628284599 /nfs/dbraw/zinc/28/45/99/628284599.db2.gz QCPGMFUGMXKGSV-UHFFFAOYSA-N 1 1 312.732 3.394 20 5 DGBDMO O=[N+]([O-])c1ccc(C[N@@H+](Cc2ccc3nonc3c2)C2CC2)cc1 ZINC000821401095 628363704 /nfs/dbraw/zinc/36/37/04/628363704.db2.gz ABVMVEITOJYXGW-UHFFFAOYSA-N 1 1 324.340 3.296 20 5 DGBDMO C[C@H](c1cccc([N+](=O)[O-])c1)[N@@H+](C)C[C@@](C)(O)c1ccccc1 ZINC000823585757 628576600 /nfs/dbraw/zinc/57/66/00/628576600.db2.gz QVKBUHFGXLQZBK-RDTXWAMCSA-N 1 1 314.385 3.495 20 5 DGBDMO O=[N+]([O-])c1ccc([C@H]2CCC[N@@H+](C[C@H]3CCC=CO3)C2)cc1 ZINC000824820717 628697721 /nfs/dbraw/zinc/69/77/21/628697721.db2.gz LCKCDYOSKWGMRW-DOTOQJQBSA-N 1 1 302.374 3.467 20 5 DGBDMO COC[C@@H]1CCC[N@@H+](Cc2ccc(Cl)c([N+](=O)[O-])c2)CC1 ZINC000825321574 628749030 /nfs/dbraw/zinc/74/90/30/628749030.db2.gz HLRYTCJNGXHHCF-GFCCVEGCSA-N 1 1 312.797 3.497 20 5 DGBDMO CC1(C)C[N@H+](Cc2ccc([N+](=O)[O-])c(Cl)c2)[C@@H]2COC[C@@H]21 ZINC000825331971 628750913 /nfs/dbraw/zinc/75/09/13/628750913.db2.gz ONRIVZNUUYVDNG-SMDDNHRTSA-N 1 1 310.781 3.105 20 5 DGBDMO CC1(C)C[N@@H+](Cc2ccc([N+](=O)[O-])c(Cl)c2)[C@@H]2COC[C@@H]21 ZINC000825331971 628750917 /nfs/dbraw/zinc/75/09/17/628750917.db2.gz ONRIVZNUUYVDNG-SMDDNHRTSA-N 1 1 310.781 3.105 20 5 DGBDMO CC(C)[N@H+]1CC[C@@H](N(C)Cc2ccc([N+](=O)[O-])c(Cl)c2)C1 ZINC000825339076 628751510 /nfs/dbraw/zinc/75/15/10/628751510.db2.gz ZVUYECBCPRNCRG-CYBMUJFWSA-N 1 1 311.813 3.163 20 5 DGBDMO C[N@@H+](CCC[C@@H]1CCOC1)Cc1cc([N+](=O)[O-])ccc1Cl ZINC000828021482 629015618 /nfs/dbraw/zinc/01/56/18/629015618.db2.gz RZUGLTJKZCBSEJ-GFCCVEGCSA-N 1 1 312.797 3.497 20 5 DGBDMO CCC[C@@H]([NH2+][C@@H]1CCn2ccnc21)c1cccc([N+](=O)[O-])c1 ZINC000834834980 629787992 /nfs/dbraw/zinc/78/79/92/629787992.db2.gz GYDSEWOLBGJVTC-HUUCEWRRSA-N 1 1 300.362 3.367 20 5 DGBDMO CCC[C@@H]([NH2+][C@H]1CCn2ccnc21)c1cccc([N+](=O)[O-])c1 ZINC000834834978 629788023 /nfs/dbraw/zinc/78/80/23/629788023.db2.gz GYDSEWOLBGJVTC-CABCVRRESA-N 1 1 300.362 3.367 20 5 DGBDMO CC(C)[N@H+]1CCCC[C@@H]1COC(=O)c1ccc(F)cc1[N+](=O)[O-] ZINC000837574602 630278161 /nfs/dbraw/zinc/27/81/61/630278161.db2.gz ZIBUAUDCJVHDFL-CYBMUJFWSA-N 1 1 324.352 3.154 20 5 DGBDMO [NH3+]CCc1ccc(CNCc2ccc([N+](=O)[O-])cc2Cl)cc1 ZINC000841032641 630399032 /nfs/dbraw/zinc/39/90/32/630399032.db2.gz VEXPDWUIPNXNEJ-UHFFFAOYSA-N 1 1 319.792 3.039 20 5 DGBDMO O=[N+]([O-])c1cccc(F)c1C[N@@H+]1CCC[C@]2(CC2(F)F)C1 ZINC000844437441 630729300 /nfs/dbraw/zinc/72/93/00/630729300.db2.gz LEURWMDSJCCEKP-ZDUSSCGKSA-N 1 1 300.280 3.355 20 5 DGBDMO O=[N+]([O-])c1cccc(F)c1C[N@H+]1CCC[C@]2(CC2(F)F)C1 ZINC000844437441 630729301 /nfs/dbraw/zinc/72/93/01/630729301.db2.gz LEURWMDSJCCEKP-ZDUSSCGKSA-N 1 1 300.280 3.355 20 5 DGBDMO O=[N+]([O-])c1ccc(Cl)c(C[N@@H+]2CC[C@]3(CC3(F)F)C2)c1 ZINC000844469736 630732964 /nfs/dbraw/zinc/73/29/64/630732964.db2.gz DSDSDPDARFIXDH-LBPRGKRZSA-N 1 1 302.708 3.479 20 5 DGBDMO O=[N+]([O-])c1ccc(Cl)c(C[N@H+]2CC[C@]3(CC3(F)F)C2)c1 ZINC000844469736 630732965 /nfs/dbraw/zinc/73/29/65/630732965.db2.gz DSDSDPDARFIXDH-LBPRGKRZSA-N 1 1 302.708 3.479 20 5 DGBDMO O=[N+]([O-])c1ccc(C[N@H+]2CC[C@H](c3ccncc3)C2)cc1F ZINC000846907457 631347960 /nfs/dbraw/zinc/34/79/60/631347960.db2.gz HJSUZJYZAHBYHQ-AWEZNQCLSA-N 1 1 301.321 3.118 20 5 DGBDMO COc1cc(F)c([N+](=O)[O-])c(N[C@H]2CCC[N@H+]3CCCC[C@H]23)c1 ZINC000848783983 631748398 /nfs/dbraw/zinc/74/83/98/631748398.db2.gz JLZRCSQCKDFWDP-DZGCQCFKSA-N 1 1 323.368 3.171 20 5 DGBDMO CC(C)(C)[N@H+]1CC[C@@H](NCc2cc(Cl)ccc2[N+](=O)[O-])C1 ZINC000850351735 632121848 /nfs/dbraw/zinc/12/18/48/632121848.db2.gz SGFMPSPOPRQFLZ-CYBMUJFWSA-N 1 1 311.813 3.211 20 5 DGBDMO CC1(C)OC[C@@H](CC[N@@H+](Cc2cccc([N+](=O)[O-])c2)C2CC2)O1 ZINC000851816536 632502465 /nfs/dbraw/zinc/50/24/65/632502465.db2.gz ILWVSKJPJRFITB-MRXNPFEDSA-N 1 1 320.389 3.101 20 5 DGBDMO CO[C@@H](C[N@H+](C)Cc1cc([N+](=O)[O-])ccc1Cl)C1CCC1 ZINC000851821205 632503498 /nfs/dbraw/zinc/50/34/98/632503498.db2.gz RHRBCSHAAFPZBR-HNNXBMFYSA-N 1 1 312.797 3.495 20 5 DGBDMO CO[C@@H](C[N@@H+](C)Cc1cc([N+](=O)[O-])ccc1Cl)C1CCC1 ZINC000851821205 632503502 /nfs/dbraw/zinc/50/35/02/632503502.db2.gz RHRBCSHAAFPZBR-HNNXBMFYSA-N 1 1 312.797 3.495 20 5 DGBDMO C[C@H](CO)[C@@H]1CCCC[N@H+]1Cc1ccc(Cl)c([N+](=O)[O-])c1 ZINC000852425289 632602188 /nfs/dbraw/zinc/60/21/88/632602188.db2.gz JEQNUEKDWTYHBE-RISCZKNCSA-N 1 1 312.797 3.231 20 5 DGBDMO C[C@@H](CO)[C@H]1CCCC[N@H+]1Cc1cc(Cl)ccc1[N+](=O)[O-] ZINC000852422934 632602821 /nfs/dbraw/zinc/60/28/21/632602821.db2.gz NTVNJQGWCCSNGJ-SMDDNHRTSA-N 1 1 312.797 3.231 20 5 DGBDMO C[N@H+]1CCC[C@H](CNc2cc(Cl)c(F)cc2[N+](=O)[O-])C1 ZINC000234346701 655722986 /nfs/dbraw/zinc/72/29/86/655722986.db2.gz UXQZOFFKZSETEG-SECBINFHSA-N 1 1 301.749 3.141 20 5 DGBDMO C[N@H+](Cc1ccccc1[N+](=O)[O-])C[C@H](O)c1ccc(F)c(F)c1 ZINC000051323001 655727945 /nfs/dbraw/zinc/72/79/45/655727945.db2.gz DJSIWHXSDRQEQQ-INIZCTEOSA-N 1 1 322.311 3.038 20 5 DGBDMO O=[N+]([O-])c1ccc(C[N@H+]2CC[C@@H](Cc3nccs3)C2)cc1 ZINC000934333010 655768359 /nfs/dbraw/zinc/76/83/59/655768359.db2.gz JCRXFQLZSKMLLI-ZDUSSCGKSA-N 1 1 303.387 3.116 20 5 DGBDMO C[C@@H](CN1CCCCC1)[NH2+]Cc1cc([N+](=O)[O-])ccc1Cl ZINC000037153730 661217106 /nfs/dbraw/zinc/21/71/06/661217106.db2.gz UUCRJEBGVOHSJY-LBPRGKRZSA-N 1 1 311.813 3.212 20 5 DGBDMO CO[C@@]1(C)C[C@@H]([N@@H+](C)Cc2cc(F)ccc2[N+](=O)[O-])C1(C)C ZINC000752074880 658016573 /nfs/dbraw/zinc/01/65/73/658016573.db2.gz JAAQRYQMUOTFNT-ZBFHGGJFSA-N 1 1 310.369 3.369 20 5 DGBDMO CC[C@H](O)[C@H]1CCCC[N@H+]1Cc1cc([N+](=O)[O-])ccc1Cl ZINC000172180326 659322835 /nfs/dbraw/zinc/32/28/35/659322835.db2.gz VKKBWRCGBPKTRB-CABCVRRESA-N 1 1 312.797 3.374 20 5 DGBDMO CN(CC[C@@H]1CCCC[N@H+]1C)Cc1cc(F)ccc1[N+](=O)[O-] ZINC000173958291 659406500 /nfs/dbraw/zinc/40/65/00/659406500.db2.gz QFIDZOVAXAOEFM-HNNXBMFYSA-N 1 1 309.385 3.040 20 5 DGBDMO CCCCC[N@@H+](CCO)Cc1cc(Cl)ccc1[N+](=O)[O-] ZINC000174863207 659890781 /nfs/dbraw/zinc/89/07/81/659890781.db2.gz DBRWJLMJZVCCLD-UHFFFAOYSA-N 1 1 300.786 3.233 20 5 DGBDMO Cc1cccc([C@H](O)C[N@@H+](C)CCc2ccccc2[N+](=O)[O-])c1 ZINC000930439867 661398517 /nfs/dbraw/zinc/39/85/17/661398517.db2.gz KFWXXQZDJIGDEW-GOSISDBHSA-N 1 1 314.385 3.111 20 5 DGBDMO COC/C(C)=C\C[N@H+]1CCC[C@H](c2ccc([N+](=O)[O-])cc2)C1 ZINC000930636370 661417607 /nfs/dbraw/zinc/41/76/07/661417607.db2.gz GBNKLPDGXXFOKR-MBSJSRAVSA-N 1 1 304.390 3.367 20 5 DGBDMO O=[N+]([O-])c1ccc([C@@H](O)C[N@H+]2C[C@H](C3CC3)C[C@@H]2C2CC2)cc1 ZINC000932888748 661606232 /nfs/dbraw/zinc/60/62/32/661606232.db2.gz LITUVUWJUOMWLH-NXHRZFHOSA-N 1 1 316.401 3.139 20 5 DGBDMO O=[N+]([O-])c1cccc(F)c1C[NH2+][C@@H](c1ccncc1)C1CC1 ZINC000934693997 661726908 /nfs/dbraw/zinc/72/69/08/661726908.db2.gz WTJUNPWKCBDRPS-MRXNPFEDSA-N 1 1 301.321 3.370 20 5 DGBDMO C[C@H]1CSCC[N@H+](Cc2ccc(Cl)c([N+](=O)[O-])c2)C1 ZINC000190468821 662033751 /nfs/dbraw/zinc/03/37/51/662033751.db2.gz WMVBMSAZFXEJSN-SNVBAGLBSA-N 1 1 300.811 3.433 20 5 DGBDMO C[C@H]1CSCC[N@@H+](Cc2ccc(Cl)c([N+](=O)[O-])c2)C1 ZINC000190468821 662033753 /nfs/dbraw/zinc/03/37/53/662033753.db2.gz WMVBMSAZFXEJSN-SNVBAGLBSA-N 1 1 300.811 3.433 20 5 DGBDMO Cn1cc(C[N@@H+](C)C2CC(C)(C)CC(C)(C)C2)c([N+](=O)[O-])n1 ZINC001620311320 1191919876 /nfs/dbraw/zinc/91/98/76/1191919876.db2.gz AMFXDKDMWZNBIU-UHFFFAOYSA-N 1 1 308.426 3.365 20 5 DGBDMO CC[N@H+]1CCC[C@@H](CN[C@@H](C)c2c(F)cccc2[N+](=O)[O-])C1 ZINC001332280178 1178410941 /nfs/dbraw/zinc/41/09/41/1178410941.db2.gz ZXTAPDFZOBDCDC-STQMWFEESA-N 1 1 309.385 3.116 20 5 DGBDMO Cn1ncc(C[NH2+]C(C)(C)c2ccccc2[N+](=O)[O-])c1C1CC1 ZINC001333822705 1178679198 /nfs/dbraw/zinc/67/91/98/1178679198.db2.gz NHHGBSINJJAXID-UHFFFAOYSA-N 1 1 314.389 3.231 20 5 DGBDMO Cn1cc(C[NH2+]C(C)(C)c2ccc([N+](=O)[O-])cc2)c(Cl)n1 ZINC001351140169 1180178427 /nfs/dbraw/zinc/17/84/27/1180178427.db2.gz JNQDKAZUGMTCKJ-UHFFFAOYSA-N 1 1 308.769 3.007 20 5 DGBDMO C[C@H](c1ccccc1)[N@H+](CCO)Cc1cc(F)ccc1[N+](=O)[O-] ZINC001473291814 1181412672 /nfs/dbraw/zinc/41/26/72/1181412672.db2.gz PTHVWEJEAFZAAQ-CYBMUJFWSA-N 1 1 318.348 3.289 20 5 DGBDMO C[C@H](c1ccccc1)[N@@H+](CCO)Cc1cc(F)ccc1[N+](=O)[O-] ZINC001473291814 1181412676 /nfs/dbraw/zinc/41/26/76/1181412676.db2.gz PTHVWEJEAFZAAQ-CYBMUJFWSA-N 1 1 318.348 3.289 20 5 DGBDMO C[C@@H](C(=O)Nc1cccc([N+](=O)[O-])c1)[N@H+]1CC[C@H](C)C(C)(C)C1 ZINC001473365961 1181481233 /nfs/dbraw/zinc/48/12/33/1181481233.db2.gz YBMGMBNLBBAAOL-STQMWFEESA-N 1 1 319.405 3.290 20 5 DGBDMO C[C@H](C(=O)Nc1cccc([N+](=O)[O-])c1)[N@H+]1CC[C@@H](C)C(C)(C)C1 ZINC001473365958 1181481595 /nfs/dbraw/zinc/48/15/95/1181481595.db2.gz YBMGMBNLBBAAOL-CHWSQXEVSA-N 1 1 319.405 3.290 20 5 DGBDMO CC[N@H+]1CCC[C@H]1CNc1cc(OC)c([N+](=O)[O-])cc1Cl ZINC001458053637 1182492053 /nfs/dbraw/zinc/49/20/53/1182492053.db2.gz FMAYGXKKZMJYPZ-JTQLQIEISA-N 1 1 313.785 3.153 20 5 DGBDMO C[C@@H](c1ccccc1)[N@H+](CCO)Cc1ccc(F)cc1[N+](=O)[O-] ZINC001459791291 1182616634 /nfs/dbraw/zinc/61/66/34/1182616634.db2.gz KADVZIFXJIDASS-ZDUSSCGKSA-N 1 1 318.348 3.289 20 5 DGBDMO C[C@@H](c1ccccc1)[N@@H+](CCO)Cc1ccc(F)cc1[N+](=O)[O-] ZINC001459791291 1182616636 /nfs/dbraw/zinc/61/66/36/1182616636.db2.gz KADVZIFXJIDASS-ZDUSSCGKSA-N 1 1 318.348 3.289 20 5 DGBDMO COc1ccc([N+](=O)[O-])cc1C[NH+]1CCC(F)(C2CC2)CC1 ZINC001460908057 1182739487 /nfs/dbraw/zinc/73/94/87/1182739487.db2.gz VUNNZGNZZRCWMV-UHFFFAOYSA-N 1 1 308.353 3.318 20 5 DGBDMO C[N@H+]1CCCC[C@H]1CNc1ncc([N+](=O)[O-])c2ccccc21 ZINC001472894176 1183696747 /nfs/dbraw/zinc/69/67/47/1183696747.db2.gz AMLOWPWGBOGWFG-LBPRGKRZSA-N 1 1 300.362 3.039 20 5 DGBDMO COc1cc([N+](=O)[O-])ccc1C[N@@H+](C)[C@@H]1C[C@](C)(OC)C1(C)C ZINC001473187896 1183725393 /nfs/dbraw/zinc/72/53/93/1183725393.db2.gz UJZXPVCWKQKKEH-WBVHZDCISA-N 1 1 322.405 3.239 20 5 DGBDMO CC[C@H]1CCCCC[N@H+]1Cc1ccc(O)c(OC)c1[N+](=O)[O-] ZINC001474321796 1183903978 /nfs/dbraw/zinc/90/39/78/1183903978.db2.gz SVYUPRYMAZKSCT-ZDUSSCGKSA-N 1 1 308.378 3.464 20 5 DGBDMO COc1c(O)ccc(C[N@H+]2CC[C@H](CC(C)C)C2)c1[N+](=O)[O-] ZINC001474381381 1183913482 /nfs/dbraw/zinc/91/34/82/1183913482.db2.gz XSCHLJMFQAOXNN-GFCCVEGCSA-N 1 1 308.378 3.177 20 5 DGBDMO COc1c(O)ccc(C[N@H+]2CC[C@@H](CC(C)C)C2)c1[N+](=O)[O-] ZINC001474381382 1183913589 /nfs/dbraw/zinc/91/35/89/1183913589.db2.gz XSCHLJMFQAOXNN-LBPRGKRZSA-N 1 1 308.378 3.177 20 5 DGBDMO COc1nc(C[NH2+][C@@H](C)c2ccc([N+](=O)[O-])cc2)ccc1C ZINC001474706595 1183965403 /nfs/dbraw/zinc/96/54/03/1183965403.db2.gz ONPOTFHBJDXEFY-LBPRGKRZSA-N 1 1 301.346 3.158 20 5 DGBDMO CCC[N@H+]1CC[C@@H](CNc2nc3c(cc2[N+](=O)[O-])CCCC3)C1 ZINC001611860913 1193442450 /nfs/dbraw/zinc/44/24/50/1193442450.db2.gz MGHHJZHLAHYPKV-ZDUSSCGKSA-N 1 1 318.421 3.012 20 5 DGBDMO C[C@H]1[C@H](Nc2ccc([N+](=O)[O-])c(-c3ccccc3)n2)CC[N@H+]1C ZINC001612939769 1193464393 /nfs/dbraw/zinc/46/43/93/1193464393.db2.gz SXDAQWMOJPJZJS-GXTWGEPZSA-N 1 1 312.373 3.161 20 5 DGBDMO O=[N+]([O-])c1ccc(N[C@H]2CC[N@@H+](CC34CCC(CC3)C4)C2)nc1 ZINC001615971673 1193531337 /nfs/dbraw/zinc/53/13/37/1193531337.db2.gz HLFFHNHGKCGVGX-UUCFBXCCSA-N 1 1 316.405 3.056 20 5 DGBDMO CC[C@@H]1CC[N@@H+]([C@@H](C)C(=O)Nc2ccc([N+](=O)[O-])cc2)[C@@H]1C ZINC001617358643 1193566573 /nfs/dbraw/zinc/56/65/73/1193566573.db2.gz BQDIMXICYRYNHM-FRRDWIJNSA-N 1 1 305.378 3.042 20 5 DGBDMO C[C@@H](c1ccccc1)[N@@H+](CCO)Cc1ccccc1[N+](=O)[O-] ZINC001559664585 1189228519 /nfs/dbraw/zinc/22/85/19/1189228519.db2.gz LVLMSAAOXLPNBQ-AWEZNQCLSA-N 1 1 300.358 3.150 20 5 DGBDMO CC(C)(C)C[C@@H]1CC[N@@H+](CCn2cc([N+](=O)[O-])cn2)C1(C)C ZINC001559902646 1189255051 /nfs/dbraw/zinc/25/50/51/1189255051.db2.gz BZVNMLOHZZIOOF-ZDUSSCGKSA-N 1 1 308.426 3.328 20 5 DGBDMO COc1c(O)ccc(C[N@H+]2CCC[C@H]2C2CCCC2)c1[N+](=O)[O-] ZINC001560679442 1189359874 /nfs/dbraw/zinc/35/98/74/1189359874.db2.gz OGDVKMSORSXZCJ-AWEZNQCLSA-N 1 1 320.389 3.464 20 5 DGBDMO C/C(=C/c1cccc([N+](=O)[O-])c1)C[N@H+]1CCC[C@H](C(C)(C)O)C1 ZINC001560998395 1189418082 /nfs/dbraw/zinc/41/80/82/1189418082.db2.gz WPRHJFWYJWXRTF-DNXIFWLFSA-N 1 1 318.417 3.481 20 5 DGBDMO CCCC(=O)N(CC[N@H+](C)Cc1cccc([N+](=O)[O-])c1)C(C)C ZINC001571609575 1191055651 /nfs/dbraw/zinc/05/56/51/1191055651.db2.gz LWCYHJBSFUAWNY-UHFFFAOYSA-N 1 1 321.421 3.064 20 5 DGBDMO CCCC(=O)N(CC[N@@H+](C)Cc1cccc([N+](=O)[O-])c1)C(C)C ZINC001571609575 1191055666 /nfs/dbraw/zinc/05/56/66/1191055666.db2.gz LWCYHJBSFUAWNY-UHFFFAOYSA-N 1 1 321.421 3.064 20 5 DGBDMO CC[C@@H]1COC(C)(C)C[N@H+]1CCCOc1ccc([N+](=O)[O-])cc1 ZINC001619854591 1193762717 /nfs/dbraw/zinc/76/27/17/1193762717.db2.gz RGBOXUBQPMNHOG-CQSZACIVSA-N 1 1 322.405 3.253 20 5 DGBDMO O=[N+]([O-])c1cccc([C@H](O)C[N@H+]2C[C@@H](C3CC3)C[C@H]2C2CC2)c1 ZINC001620629749 1193785309 /nfs/dbraw/zinc/78/53/09/1193785309.db2.gz BERIZMNJQDWIOP-RYQLBKOJSA-N 1 1 316.401 3.139 20 5 DGBDMO C[C@H]1CCC[N@@H+](CCNc2nccc3c2cccc3[N+](=O)[O-])C1 ZINC001642066514 1194886866 /nfs/dbraw/zinc/88/68/66/1194886866.db2.gz QNRQFJNTDNFDIP-ZDUSSCGKSA-N 1 1 314.389 3.287 20 5 DGBDMO COCC[N@@H+](CCOc1cccc([N+](=O)[O-])c1)[C@@H]1CC[C@H](C)C1 ZINC001642938079 1194955606 /nfs/dbraw/zinc/95/56/06/1194955606.db2.gz JQMXIGPSKMEOAF-LSDHHAIUSA-N 1 1 322.405 3.111 20 5 DGBDMO CCC(=O)c1ccc(NCC[N@H+]2CCC(C)(C)C2)c([N+](=O)[O-])c1 ZINC001643298662 1195012575 /nfs/dbraw/zinc/01/25/75/1195012575.db2.gz TYLLCHGJMJKVJH-UHFFFAOYSA-N 1 1 319.405 3.331 20 5 DGBDMO O=[N+]([O-])CC[N@H+]1CCC[C@H](Cc2csc3ccccc23)C1 ZINC001645196715 1195165000 /nfs/dbraw/zinc/16/50/00/1195165000.db2.gz HXQIWIBPXVHPMW-CYBMUJFWSA-N 1 1 304.415 3.433 20 5 DGBDMO O=[N+]([O-])c1ccc(OCCC[N@H+]2CCSC[C@H]2C2CC2)cc1 ZINC001645756233 1195200073 /nfs/dbraw/zinc/20/00/73/1195200073.db2.gz NHGBLCYHNQPTMU-INIZCTEOSA-N 1 1 322.430 3.191 20 5 DGBDMO CCCC[N@@H+](CCn1cc([N+](=O)[O-])cn1)[C@H]1CCC[C@@H](C)C1 ZINC001645913457 1195207162 /nfs/dbraw/zinc/20/71/62/1195207162.db2.gz WNHJJWOENIYKJD-CABCVRRESA-N 1 1 308.426 3.472 20 5 DGBDMO CC[N@H+]1CCCC[C@@H]1CNc1nc2c(cc1[N+](=O)[O-])CCCC2 ZINC001650744673 1195377348 /nfs/dbraw/zinc/37/73/48/1195377348.db2.gz JVJGVJWGFSNBSU-CQSZACIVSA-N 1 1 318.421 3.155 20 5 DGBDMO O=[N+]([O-])c1cc(Cl)cnc1N[C@H]1CC[N@H+](C2CCCCC2)C1 ZINC001651258991 1195434370 /nfs/dbraw/zinc/43/43/70/1195434370.db2.gz UUXZCZDDXDPNQZ-LBPRGKRZSA-N 1 1 324.812 3.462 20 5 DGBDMO O=[N+]([O-])c1ccc(C(F)(F)F)cc1NCC[N@@H+]1CC=CCC1 ZINC001651808813 1195511887 /nfs/dbraw/zinc/51/18/87/1195511887.db2.gz FWAFYWPHRJEUIQ-UHFFFAOYSA-N 1 1 315.295 3.287 20 5 DGBDMO C[C@@H](c1ccccc1)[N@H+](CCO)Cc1ccc([N+](=O)[O-])cc1F ZINC001652954436 1195674949 /nfs/dbraw/zinc/67/49/49/1195674949.db2.gz NGMZMVTVADVRPK-ZDUSSCGKSA-N 1 1 318.348 3.289 20 5 DGBDMO C[C@@H](c1ccccc1)[N@@H+](CCO)Cc1ccc([N+](=O)[O-])cc1F ZINC001652954436 1195674952 /nfs/dbraw/zinc/67/49/52/1195674952.db2.gz NGMZMVTVADVRPK-ZDUSSCGKSA-N 1 1 318.348 3.289 20 5 DGBDMO COC[C@H]([NH2+]Cc1ccc([N+](=O)[O-])c(F)c1)c1ccc(F)cc1 ZINC001653035025 1195682458 /nfs/dbraw/zinc/68/24/58/1195682458.db2.gz KGSRFLKUOZHJSH-HNNXBMFYSA-N 1 1 322.311 3.350 20 5 DGBDMO CC[C@@H]1CCC[N@H+]([C@H](C)C(=O)Nc2ccc([N+](=O)[O-])cc2)CC1 ZINC001653360582 1195713746 /nfs/dbraw/zinc/71/37/46/1195713746.db2.gz RWIUGIQGUSZOMH-ZIAGYGMSSA-N 1 1 319.405 3.434 20 5 DGBDMO CC[C@]1(C)CCC[N@H+]([C@H](C)C(=O)Nc2cccc([N+](=O)[O-])c2)C1 ZINC001653448683 1195724817 /nfs/dbraw/zinc/72/48/17/1195724817.db2.gz DRDJAWQQGQAVEO-CXAGYDPISA-N 1 1 319.405 3.434 20 5 DGBDMO O=[N+]([O-])c1cc(Cl)ccc1C[N@@H+]1CC[C@H](c2cnccn2)C1 ZINC001654915186 1195854848 /nfs/dbraw/zinc/85/48/48/1195854848.db2.gz IQJMSNNSBBFZAD-NSHDSACASA-N 1 1 318.764 3.028 20 5 DGBDMO O=[N+]([O-])c1cc(Cl)ccc1C[N@H+]1CC[C@H](c2cnccn2)C1 ZINC001654915186 1195854853 /nfs/dbraw/zinc/85/48/53/1195854853.db2.gz IQJMSNNSBBFZAD-NSHDSACASA-N 1 1 318.764 3.028 20 5 DGBDMO C[C@]12C[N@@H+](Cc3ccc([N+](=O)[O-])c(F)c3)C[C@H]1[C@H]1C=C[C@@H]2C1 ZINC001654947174 1195856606 /nfs/dbraw/zinc/85/66/06/1195856606.db2.gz HJANKYQMFSHBSO-QDEZUTFSSA-N 1 1 302.349 3.378 20 5 DGBDMO CCCC[N@@H+](C)CCNc1nc2c(cc1[N+](=O)[O-])CCCC2 ZINC001655117760 1195878531 /nfs/dbraw/zinc/87/85/31/1195878531.db2.gz XUQQLNGDCLOEFH-UHFFFAOYSA-N 1 1 306.410 3.012 20 5 DGBDMO CCC(CC)CCC[N@@H+](C)Cc1ccc(C(N)=O)cc1[N+](=O)[O-] ZINC001655199995 1195890293 /nfs/dbraw/zinc/89/02/93/1195890293.db2.gz KFZHEOAPJRIAOW-UHFFFAOYSA-N 1 1 321.421 3.342 20 5 DGBDMO C[N@H+]1CCN(c2nc3ccc([N+](=O)[O-])cc3s2)CCC1(C)C ZINC001655720941 1195955215 /nfs/dbraw/zinc/95/52/15/1195955215.db2.gz VIOODBNHONOGKX-UHFFFAOYSA-N 1 1 320.418 3.125 20 5 DGBDMO O=[N+]([O-])c1ccc(C[N@@H+]2CCCC[C@H]2[C@H]2CCCO2)c(F)c1 ZINC001655877246 1195972302 /nfs/dbraw/zinc/97/23/02/1195972302.db2.gz IIHKPMVNYBNCGR-JKSUJKDBSA-N 1 1 308.353 3.267 20 5 DGBDMO O=[N+]([O-])c1ccc(C[N@H+]2CCCC[C@H]2[C@H]2CCCO2)c(F)c1 ZINC001655877246 1195972305 /nfs/dbraw/zinc/97/23/05/1195972305.db2.gz IIHKPMVNYBNCGR-JKSUJKDBSA-N 1 1 308.353 3.267 20 5 DGBDMO Cc1ccc([N+](=O)[O-])c(C)c1C[NH2+]CCc1ccc2cn[nH]c2c1 ZINC001656238313 1196022419 /nfs/dbraw/zinc/02/24/19/1196022419.db2.gz ILVCLMOUWKXEIV-UHFFFAOYSA-N 1 1 324.384 3.420 20 5 DGBDMO Cc1c(CN[C@H]2CC[N@@H+](CC3CCCC3)C2)cccc1[N+](=O)[O-] ZINC001656641096 1196057505 /nfs/dbraw/zinc/05/75/05/1196057505.db2.gz BWLHKQBQUSESBD-KRWDZBQOSA-N 1 1 317.433 3.257 20 5 DGBDMO Cc1c(C[NH2+][C@H]2CCN(CC3CCCC3)C2)cccc1[N+](=O)[O-] ZINC001656641096 1196057507 /nfs/dbraw/zinc/05/75/07/1196057507.db2.gz BWLHKQBQUSESBD-KRWDZBQOSA-N 1 1 317.433 3.257 20 5 DGBDMO CCOc1ccc([N+](=O)[O-])cc1C[NH2+]Cc1sc(C)nc1C ZINC001657310274 1196128995 /nfs/dbraw/zinc/12/89/95/1196128995.db2.gz SUJYAHNEYIHZHR-UHFFFAOYSA-N 1 1 321.402 3.357 20 5 DGBDMO C[C@@H]1Cc2cc(C[N@@H+]3CCc4ccc([N+](=O)[O-])cc4C3)ccc2O1 ZINC001659156794 1196353862 /nfs/dbraw/zinc/35/38/62/1196353862.db2.gz BXQZMAGANZVNFI-CYBMUJFWSA-N 1 1 324.380 3.477 20 5 DGBDMO C[C@@H]1Cc2cc(C[N@H+]3CCc4ccc([N+](=O)[O-])cc4C3)ccc2O1 ZINC001659156794 1196353865 /nfs/dbraw/zinc/35/38/65/1196353865.db2.gz BXQZMAGANZVNFI-CYBMUJFWSA-N 1 1 324.380 3.477 20 5 DGBDMO Cc1ccc([N+](=O)[O-])c(C)c1C[N@@H+]1CCc2c(O)cccc2C1 ZINC001659793430 1196414953 /nfs/dbraw/zinc/41/49/53/1196414953.db2.gz ACFBGEUDJYYGKC-UHFFFAOYSA-N 1 1 312.369 3.476 20 5 DGBDMO Cc1ccc([N+](=O)[O-])c(C)c1C[N@H+]1CCc2c(O)cccc2C1 ZINC001659793430 1196414957 /nfs/dbraw/zinc/41/49/57/1196414957.db2.gz ACFBGEUDJYYGKC-UHFFFAOYSA-N 1 1 312.369 3.476 20 5 DGBDMO O=[N+]([O-])c1ccc(OC2C[NH+](C[C@@H]3CCc4ccccc43)C2)cc1 ZINC001659983901 1196434376 /nfs/dbraw/zinc/43/43/76/1196434376.db2.gz MDXLUOHMQXWPMU-HNNXBMFYSA-N 1 1 324.380 3.388 20 5 DGBDMO CC1(C)C[N@@H+](CCOc2cccc([N+](=O)[O-])c2)[C@@H]2CCC[C@@H]21 ZINC001660507714 1196491860 /nfs/dbraw/zinc/49/18/60/1196491860.db2.gz MDMLUKYURZLJAU-JKSUJKDBSA-N 1 1 304.390 3.484 20 5 DGBDMO CC[N@@H+]1CCCC[C@@H]1CNCc1c(C)ccc([N+](=O)[O-])c1C ZINC001661416409 1196603354 /nfs/dbraw/zinc/60/33/54/1196603354.db2.gz OHVDKYBORCYCPU-OAHLLOKOSA-N 1 1 305.422 3.176 20 5 DGBDMO CC[N@H+]1CCCC[C@@H]1CNCc1c(C)ccc([N+](=O)[O-])c1C ZINC001661416409 1196603356 /nfs/dbraw/zinc/60/33/56/1196603356.db2.gz OHVDKYBORCYCPU-OAHLLOKOSA-N 1 1 305.422 3.176 20 5 DGBDMO Cc1ccc([N+](=O)[O-])c(N2CCC[C@H](Cc3[nH+]ccn3C)C2)c1 ZINC000301705368 1199458358 /nfs/dbraw/zinc/45/83/58/1199458358.db2.gz ICVJEYSGJCWKRA-CQSZACIVSA-N 1 1 314.389 3.096 20 5 DGBDMO CCc1[nH+]ccn1Cc1ccc([N+](=O)[O-])cc1Br ZINC000108658062 1199611680 /nfs/dbraw/zinc/61/16/80/1199611680.db2.gz KHYXPNGKBANNLG-UHFFFAOYSA-N 1 1 310.151 3.165 20 5 DGBDMO Cc1cc(Cl)nc(NCC[C@H]2CCC[N@H+](C)C2)c1[N+](=O)[O-] ZINC001156377948 1081653318 /nfs/dbraw/zinc/65/33/18/1081653318.db2.gz HTPVZGVOAYDWSX-LLVKDONJSA-N 1 1 312.801 3.095 20 5 DGBDMO COc1ccc(C[C@H](C)[N@H+]2CCCC[C@@H](F)C2)c([N+](=O)[O-])c1 ZINC001170329776 1082347331 /nfs/dbraw/zinc/34/73/31/1082347331.db2.gz UHZIFHVLBUQJIM-GXTWGEPZSA-N 1 1 310.369 3.358 20 5 DGBDMO COc1ccc(C[C@H](C)[N@@H+]2C[C@@H]3[C@H](C2)C3(C)C)c([N+](=O)[O-])c1 ZINC001170347609 1082357140 /nfs/dbraw/zinc/35/71/40/1082357140.db2.gz SDJDJUVAGFXUBK-TUKIKUTGSA-N 1 1 304.390 3.122 20 5 DGBDMO C[C@@H]1CCCC[N@H+]1CCCNc1ccc2c([N+](=O)[O-])c[nH]c2n1 ZINC001167751636 1083624571 /nfs/dbraw/zinc/62/45/71/1083624571.db2.gz MUSDXXJBBAEJGY-GFCCVEGCSA-N 1 1 317.393 3.148 20 5 DGBDMO CCC[N@@H+](CC)C[C@H](C)Nc1ccc([N+](=O)[O-])c(OC(C)C)n1 ZINC001186632987 1084681524 /nfs/dbraw/zinc/68/15/24/1084681524.db2.gz LHOWBBBTDJSLPZ-ZDUSSCGKSA-N 1 1 324.425 3.309 20 5 DGBDMO C[N@H+]1C[C@@]2(C)CN(c3ccc(Cl)cc3[N+](=O)[O-])C[C@@]2(C)C1 ZINC001187215450 1084776023 /nfs/dbraw/zinc/77/60/23/1084776023.db2.gz HOSCWFYRIDXTDE-GASCZTMLSA-N 1 1 309.797 3.026 20 5 DGBDMO CC[N@H+]1CC[C@H]1CNc1ccc(C(F)(F)F)cc1[N+](=O)[O-] ZINC001187423144 1084799697 /nfs/dbraw/zinc/79/96/97/1084799697.db2.gz PGCZGKIABWFOHN-JTQLQIEISA-N 1 1 303.284 3.120 20 5 DGBDMO COc1c(NC2C[NH+](C(C)C)C2)c(C)c(Cl)cc1[N+](=O)[O-] ZINC001168313768 1087290981 /nfs/dbraw/zinc/29/09/81/1087290981.db2.gz DHPUBAPZLZEQNC-UHFFFAOYSA-N 1 1 313.785 3.070 20 5 DGBDMO CC(C)[N@H+]1CCN(c2ncc([N+](=O)[O-])c3ccccc32)C[C@@H]1C ZINC001158495231 1087866029 /nfs/dbraw/zinc/86/60/29/1087866029.db2.gz YOABKIORQCUOTI-ZDUSSCGKSA-N 1 1 314.389 3.062 20 5 DGBDMO O=[N+]([O-])c1ccc2c(ccnc2N[C@H]2CC[N@H+](C3CCC3)C2)c1 ZINC001161182496 1089144401 /nfs/dbraw/zinc/14/44/01/1089144401.db2.gz GPVLJRTUJANION-ZDUSSCGKSA-N 1 1 312.373 3.182 20 5 DGBDMO C[N@H+]1CCC[C@@H](CCNc2ccc3ccc([N+](=O)[O-])cc3n2)C1 ZINC001156377957 1089495124 /nfs/dbraw/zinc/49/51/24/1089495124.db2.gz HXECYOCRJAXPAH-ZDUSSCGKSA-N 1 1 314.389 3.287 20 5 DGBDMO Cc1[nH+]c(N)ccc1CNc1ccc2c(cccc2[N+](=O)[O-])n1 ZINC001156980623 1089772878 /nfs/dbraw/zinc/77/28/78/1089772878.db2.gz KMDPONKSYWIDDL-UHFFFAOYSA-N 1 1 309.329 3.041 20 5 DGBDMO CC(C)[N@@H+](C)[C@H]1CCN(c2nccc3ccc([N+](=O)[O-])cc32)C1 ZINC001157019468 1089786072 /nfs/dbraw/zinc/78/60/72/1089786072.db2.gz GBTFLMIUFZTQBM-HNNXBMFYSA-N 1 1 314.389 3.062 20 5 DGBDMO CC(C)[N@@H+](C)[C@@H]1CCN(c2nccc3ccc([N+](=O)[O-])cc32)C1 ZINC001157019469 1089789091 /nfs/dbraw/zinc/78/90/91/1089789091.db2.gz GBTFLMIUFZTQBM-OAHLLOKOSA-N 1 1 314.389 3.062 20 5 DGBDMO C[N@@H+]1CCO[C@@H](CNc2nc3ccccc3c3ccccc32)C1 ZINC001162694062 1089884783 /nfs/dbraw/zinc/88/47/83/1089884783.db2.gz LWNJBYIJOLOWQO-AWEZNQCLSA-N 1 1 307.397 3.131 20 5 DGBDMO C[N@H+]1CCO[C@@H](CNc2nc3ccccc3c3ccccc32)C1 ZINC001162694062 1089884801 /nfs/dbraw/zinc/88/48/01/1089884801.db2.gz LWNJBYIJOLOWQO-AWEZNQCLSA-N 1 1 307.397 3.131 20 5 DGBDMO CC(C)[N@H+]1CC[C@@H](Nc2cc(Cl)cc([N+](=O)[O-])n2)[C@H](C)C1 ZINC001163360857 1090162450 /nfs/dbraw/zinc/16/24/50/1090162450.db2.gz GGINQBNTAJPDOO-ZYHUDNBSSA-N 1 1 312.801 3.174 20 5 DGBDMO C[N@H+]1CCC[C@@H](CCNc2ccc3cc([N+](=O)[O-])ccc3n2)C1 ZINC001165260835 1090491371 /nfs/dbraw/zinc/49/13/71/1090491371.db2.gz JPHYDPQIOHIWPE-ZDUSSCGKSA-N 1 1 314.389 3.287 20 5 DGBDMO O=[N+]([O-])c1c(Cl)ccnc1N[C@H]1CC[N@@H+](CC2CCCC2)C1 ZINC001161181308 1091133936 /nfs/dbraw/zinc/13/39/36/1091133936.db2.gz PJDBHRBOIJIDOT-LBPRGKRZSA-N 1 1 324.812 3.320 20 5 DGBDMO COc1c(O)ccc(C[N@H+]2C[C@@H](C(C)C)[C@@H]2C(C)C)c1[N+](=O)[O-] ZINC001205790052 1091349416 /nfs/dbraw/zinc/34/94/16/1091349416.db2.gz ZHAQZCBHDTYWDL-ZFWWWQNUSA-N 1 1 322.405 3.421 20 5 DGBDMO COc1c(O)ccc(C[N@H+]2C[C@H](C(C)C)[C@@H]2C(C)C)c1[N+](=O)[O-] ZINC001205790050 1091350602 /nfs/dbraw/zinc/35/06/02/1091350602.db2.gz ZHAQZCBHDTYWDL-HIFRSBDPSA-N 1 1 322.405 3.421 20 5 DGBDMO C[C@@H]1CNC(=O)C[N@H+]1Cc1c2ccccc2cc2ccccc21 ZINC001141728528 1092323367 /nfs/dbraw/zinc/32/33/67/1092323367.db2.gz UPHVIXWGGWQDBQ-CQSZACIVSA-N 1 1 304.393 3.313 20 5 DGBDMO C[C@@H]1C[N@@H+](Cc2c3ccccc3cc3ccccc32)CC(=O)N1 ZINC001141723531 1092323683 /nfs/dbraw/zinc/32/36/83/1092323683.db2.gz ZXGHUTZJVLQZSL-CQSZACIVSA-N 1 1 304.393 3.313 20 5 DGBDMO O=[N+]([O-])C[C@@H]1CC[C@@H]([N@H+]2CCSC[C@H]2c2ccc(F)cc2)C1 ZINC001169032987 1092497361 /nfs/dbraw/zinc/49/73/61/1092497361.db2.gz AMYUMWROQVTVIU-WQVCFCJDSA-N 1 1 324.421 3.361 20 5 DGBDMO COc1cccc([C@@H]2CCC[N@H+]2[C@@H]2CC[C@@H](C[N+](=O)[O-])C2)c1 ZINC001169036604 1092498302 /nfs/dbraw/zinc/49/83/02/1092498302.db2.gz GZEQPSGABLKABH-UNEWFSDZSA-N 1 1 304.390 3.278 20 5 DGBDMO COc1cccc([C@@H]2CCC[N@H+]2[C@@H]2CC[C@H](C[N+](=O)[O-])C2)c1 ZINC001169036600 1092498722 /nfs/dbraw/zinc/49/87/22/1092498722.db2.gz GZEQPSGABLKABH-LXZKKBNFSA-N 1 1 304.390 3.278 20 5 DGBDMO COc1ccccc1C[C@H](C)[N@@H+](C)[C@@H]1CC[C@@H](C[N+](=O)[O-])C1 ZINC001169047457 1092507348 /nfs/dbraw/zinc/50/73/48/1092507348.db2.gz RCSNQRFXEUBZSE-SQWLQELKSA-N 1 1 306.406 3.003 20 5 DGBDMO O=[N+]([O-])C[C@@H]1CC[C@H]([N@H+]2CCC[C@H]2Cc2ccc(F)cc2)C1 ZINC001169056930 1092512837 /nfs/dbraw/zinc/51/28/37/1092512837.db2.gz UEICZSJAUCZXBS-PVAVHDDUSA-N 1 1 306.381 3.278 20 5 DGBDMO Cc1ccc([N+](=O)[O-])cc1Nc1ccnc(-c2cc(N)cc[nH+]2)c1 ZINC001211287237 1093444926 /nfs/dbraw/zinc/44/49/26/1093444926.db2.gz HISINXFBZHNISA-UHFFFAOYSA-N 1 1 321.340 3.108 20 5 DGBDMO O=[N+]([O-])c1ccc(-c2ccc(O[C@@H]3C[NH2+]CC3(F)F)cc2)cc1 ZINC001218231462 1094667881 /nfs/dbraw/zinc/66/78/81/1094667881.db2.gz KQOKZVKMUURBQP-OAHLLOKOSA-N 1 1 320.295 3.248 20 5 DGBDMO CCC[N@@H+]1CCCC[C@H]1C(=O)OCc1cccc([N+](=O)[O-])c1C ZINC001116114804 1095458902 /nfs/dbraw/zinc/45/89/02/1095458902.db2.gz CCIQRXURISHURK-INIZCTEOSA-N 1 1 320.389 3.211 20 5 DGBDMO CCC[N@H+]1CCCC[C@H]1C(=O)OCc1cccc([N+](=O)[O-])c1C ZINC001116114804 1095458911 /nfs/dbraw/zinc/45/89/11/1095458911.db2.gz CCIQRXURISHURK-INIZCTEOSA-N 1 1 320.389 3.211 20 5 DGBDMO CCc1[nH+]ccn1[C@H](C)CC(=O)Nc1cc(C)cc([N+](=O)[O-])c1 ZINC001124126261 1095546126 /nfs/dbraw/zinc/54/61/26/1095546126.db2.gz IMPGBTUXXORIIY-GFCCVEGCSA-N 1 1 316.361 3.252 20 5 DGBDMO COc1ccc(C[NH+]2CC(c3ccc(F)cc3)C2)cc1[N+](=O)[O-] ZINC001117814871 1095879104 /nfs/dbraw/zinc/87/91/04/1095879104.db2.gz NMNOZOQPCVDRID-UHFFFAOYSA-N 1 1 316.332 3.342 20 5 DGBDMO C[NH+](C)Cc1nnc(-c2cc(Cl)cc(Cl)c2[N+](=O)[O-])o1 ZINC001118077144 1095930661 /nfs/dbraw/zinc/93/06/61/1095930661.db2.gz NYNDRBJZEVVQMV-UHFFFAOYSA-N 1 1 317.132 3.013 20 5 DGBDMO C[C@H](O[C@@H]1[C@@H]2CCC[C@H]1C[N@H+](C)C2)c1cccc([N+](=O)[O-])c1 ZINC001223427103 1095966412 /nfs/dbraw/zinc/96/64/12/1095966412.db2.gz GVIOVDCWGLRWSY-FAYQHZLMSA-N 1 1 304.390 3.403 20 5 DGBDMO C[NH+](C)[C@@H]1CCCC[C@@H]1N[C@@H]1CCc2c1cccc2[N+](=O)[O-] ZINC001118325036 1095982985 /nfs/dbraw/zinc/98/29/85/1095982985.db2.gz BTYGDOIXXBWLEL-HLLBOEOZSA-N 1 1 303.406 3.045 20 5 DGBDMO CC[N@H+]1CC[C@@H](OCc2ccc([N+](=O)[O-])c3ccccc23)C1 ZINC001224204949 1096162673 /nfs/dbraw/zinc/16/26/73/1096162673.db2.gz WPDAOQGLWKHLFZ-CQSZACIVSA-N 1 1 300.358 3.359 20 5 DGBDMO O=[N+]([O-])c1ccc(F)cc1O[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC001225574582 1096470802 /nfs/dbraw/zinc/47/08/02/1096470802.db2.gz FOEQPUFLKBYIKD-OAHLLOKOSA-N 1 1 316.332 3.387 20 5 DGBDMO C[N@@H+]1C[C@H]2CCC[C@@H](C1)[C@H]2Oc1cccc([N+](=O)[O-])c1Cl ZINC001225789290 1096529948 /nfs/dbraw/zinc/52/99/48/1096529948.db2.gz RNRLECFWLNWBPR-HBYGRHMLSA-N 1 1 310.781 3.357 20 5 DGBDMO CC[N@H+]1CCC[C@H](Oc2ccc([N+](=O)[O-])c(C(F)(F)F)c2)C1 ZINC001225919164 1096565015 /nfs/dbraw/zinc/56/50/15/1096565015.db2.gz QLYFTZXHIKQJIN-NSHDSACASA-N 1 1 318.295 3.477 20 5 DGBDMO CC[N@H+]1CCC[C@H](Oc2cc([N+](=O)[O-])c(F)cc2Cl)C1 ZINC001226199760 1096636781 /nfs/dbraw/zinc/63/67/81/1096636781.db2.gz ZOLJYHYHYJAUJL-VIFPVBQESA-N 1 1 302.733 3.250 20 5 DGBDMO C[N@H+]1CCC[C@H](Oc2cc(C(F)(F)F)ccc2[N+](=O)[O-])CC1 ZINC001226301995 1096656541 /nfs/dbraw/zinc/65/65/41/1096656541.db2.gz TUYUZZQBTORLMI-NSHDSACASA-N 1 1 318.295 3.477 20 5 DGBDMO CC[N@H+]1CCC[C@@H](Oc2ccc([N+](=O)[O-])c3cccnc23)C1 ZINC001228138579 1097060528 /nfs/dbraw/zinc/06/05/28/1097060528.db2.gz MJFBJPITBUYAKL-GFCCVEGCSA-N 1 1 301.346 3.006 20 5 DGBDMO CC(C)[N@H+]1CC[C@@H](Oc2ccc([N+](=O)[O-])c3cccnc23)C1 ZINC001228139660 1097060640 /nfs/dbraw/zinc/06/06/40/1097060640.db2.gz WFHVEILYJVUODS-GFCCVEGCSA-N 1 1 301.346 3.005 20 5 DGBDMO C[N@@H+]1CCO[C@@H](COc2cccc3cc4ccccc4nc32)C1 ZINC001228176977 1097068279 /nfs/dbraw/zinc/06/82/79/1097068279.db2.gz VARWCRPDELKWHX-MRXNPFEDSA-N 1 1 308.381 3.097 20 5 DGBDMO C[N@H+]1CCO[C@@H](COc2cccc3cc4ccccc4nc32)C1 ZINC001228176977 1097068285 /nfs/dbraw/zinc/06/82/85/1097068285.db2.gz VARWCRPDELKWHX-MRXNPFEDSA-N 1 1 308.381 3.097 20 5 DGBDMO CC(C)[N@H+]1CCC[C@H](Oc2nc3ccc([N+](=O)[O-])cc3s2)C1 ZINC001228211673 1097074829 /nfs/dbraw/zinc/07/48/29/1097074829.db2.gz OVTKLKMVVUXXJD-LBPRGKRZSA-N 1 1 321.402 3.456 20 5 DGBDMO CC[N@H+]1CCC[C@@H](Oc2c([N+](=O)[O-])cccc2C(F)(F)F)C1 ZINC001228931483 1097220131 /nfs/dbraw/zinc/22/01/31/1097220131.db2.gz VXUPNKFLSIQICH-SNVBAGLBSA-N 1 1 318.295 3.477 20 5 DGBDMO C[N@@H+]1CCO[C@H](COc2c3ccccc3c(O)c3ccccc32)C1 ZINC001229025878 1097240326 /nfs/dbraw/zinc/24/03/26/1097240326.db2.gz BEGQZYOSGHUUSE-AWEZNQCLSA-N 1 1 323.392 3.408 20 5 DGBDMO C[N@H+]1CCO[C@H](COc2c3ccccc3c(O)c3ccccc32)C1 ZINC001229025878 1097240332 /nfs/dbraw/zinc/24/03/32/1097240332.db2.gz BEGQZYOSGHUUSE-AWEZNQCLSA-N 1 1 323.392 3.408 20 5 DGBDMO C[C@@]1(O)CCC[N@H+]([C@@H]2CCc3ccc([N+](=O)[O-])cc3CC2)CC1 ZINC001172907882 1097269783 /nfs/dbraw/zinc/26/97/83/1097269783.db2.gz IPHHSKAWRKZSDU-SJLPKXTDSA-N 1 1 318.417 3.079 20 5 DGBDMO COc1ccc([N+](=O)[O-])c(C[C@H](C)[N@@H+](C)CC2CCC2)c1F ZINC001173190547 1097358173 /nfs/dbraw/zinc/35/81/73/1097358173.db2.gz VNLMOLTXHQJLDT-NSHDSACASA-N 1 1 310.369 3.405 20 5 DGBDMO COc1ccc([N+](=O)[O-])c(C[C@H](C)[N@H+]2C[C@H]3CC[C@@H]2C3)c1F ZINC001173197348 1097359517 /nfs/dbraw/zinc/35/95/17/1097359517.db2.gz UHYGOYKXUYTVEV-SDDRHHMPSA-N 1 1 308.353 3.158 20 5 DGBDMO CCC[NH+](CCC)CCN[C@H](C)Cc1ccc([N+](=O)[O-])cc1 ZINC001173215330 1097366634 /nfs/dbraw/zinc/36/66/34/1097366634.db2.gz VASSJZBKBUZSSI-OAHLLOKOSA-N 1 1 307.438 3.237 20 5 DGBDMO CC[N@H+](CC(=O)OC(C)(C)C)[C@@H](C)Cc1ccc([N+](=O)[O-])cc1 ZINC001173234191 1097378112 /nfs/dbraw/zinc/37/81/12/1097378112.db2.gz PMHYGLNRBAWLLZ-ZDUSSCGKSA-N 1 1 322.405 3.189 20 5 DGBDMO CC[N@@H+](CC(=O)OC(C)(C)C)[C@@H](C)Cc1ccc([N+](=O)[O-])cc1 ZINC001173234191 1097378115 /nfs/dbraw/zinc/37/81/15/1097378115.db2.gz PMHYGLNRBAWLLZ-ZDUSSCGKSA-N 1 1 322.405 3.189 20 5 DGBDMO C[C@H](Cc1ccc([N+](=O)[O-])cc1)[N@H+]1CCN(C)CC12CCCC2 ZINC001173238387 1097394139 /nfs/dbraw/zinc/39/41/39/1097394139.db2.gz RBUVGXFSYDZZOD-OAHLLOKOSA-N 1 1 317.433 3.086 20 5 DGBDMO C[C@H](Cc1ccc([N+](=O)[O-])cc1)N1CC[N@H+](C)CC12CCCC2 ZINC001173238387 1097394143 /nfs/dbraw/zinc/39/41/43/1097394143.db2.gz RBUVGXFSYDZZOD-OAHLLOKOSA-N 1 1 317.433 3.086 20 5 DGBDMO C[C@H](Cc1ccc([N+](=O)[O-])cc1)N1CC[N@@H+](C)CC12CCCC2 ZINC001173238387 1097394147 /nfs/dbraw/zinc/39/41/47/1097394147.db2.gz RBUVGXFSYDZZOD-OAHLLOKOSA-N 1 1 317.433 3.086 20 5 DGBDMO OC[C@@H]1CCC[N@@H+](Cc2ccc3ccc4cccnc4c3n2)CC1 ZINC001232218021 1097970200 /nfs/dbraw/zinc/97/02/00/1097970200.db2.gz CNYYNODDRPKXKX-OAHLLOKOSA-N 1 1 321.424 3.377 20 5 DGBDMO CO[C@@H]1CCC[N@@H+](Cc2ccc3ccc4cccnc4c3n2)C1 ZINC001232218762 1097970734 /nfs/dbraw/zinc/97/07/34/1097970734.db2.gz GRFPRNDVXWLIJE-QGZVFWFLSA-N 1 1 307.397 3.394 20 5 DGBDMO c1cnc2c(c1)ccc1ccc(C[N@H+]3CC[C@@]4(CCOC4)C3)nc12 ZINC001232219043 1097971195 /nfs/dbraw/zinc/97/11/95/1097971195.db2.gz PKZPVFFXMYRGPD-HXUWFJFHSA-N 1 1 319.408 3.395 20 5 DGBDMO OC[C@@H]1CCCC[N@H+]1Cc1ccc2ccc3cccnc3c2n1 ZINC001232219892 1097972060 /nfs/dbraw/zinc/97/20/60/1097972060.db2.gz VXLIJFSGCWBNAL-KRWDZBQOSA-N 1 1 307.397 3.130 20 5 DGBDMO c1cnc2c(c1)ccc1ccc(C[N@@H+]3CCCC34COC4)nc12 ZINC001232223030 1097972530 /nfs/dbraw/zinc/97/25/30/1097972530.db2.gz JCKIDUZKLOJZLS-UHFFFAOYSA-N 1 1 305.381 3.148 20 5 DGBDMO c1cnc2c(c1)ccc1ccc(C[N@H+]3CCCC34COC4)nc12 ZINC001232223030 1097972536 /nfs/dbraw/zinc/97/25/36/1097972536.db2.gz JCKIDUZKLOJZLS-UHFFFAOYSA-N 1 1 305.381 3.148 20 5 DGBDMO c1cnc2c(c1)ccc1ccc(C[N@H+]3CC[C@H]4COC[C@@H]4C3)nc12 ZINC001232224467 1097972693 /nfs/dbraw/zinc/97/26/93/1097972693.db2.gz IOOXEZKJMQVBST-IRXDYDNUSA-N 1 1 319.408 3.251 20 5 DGBDMO C[N@@H+](Cc1ccc2ccc3cccnc3c2n1)CC1(C)COC1 ZINC001232223071 1097973729 /nfs/dbraw/zinc/97/37/29/1097973729.db2.gz JSSIGPQQGLTCSF-UHFFFAOYSA-N 1 1 307.397 3.251 20 5 DGBDMO CC(C)(C)OC[C@@H]1CCC[N@H+]1CCOc1ccccc1[N+](=O)[O-] ZINC001176010123 1098231159 /nfs/dbraw/zinc/23/11/59/1098231159.db2.gz PJSVMBQFYZDAGY-AWEZNQCLSA-N 1 1 322.405 3.253 20 5 DGBDMO Cc1nc([C@H]2CCC[N@H+]2CCc2ccc([N+](=O)[O-])cc2)[nH]c1C ZINC001176078266 1098243805 /nfs/dbraw/zinc/24/38/05/1098243805.db2.gz QWGALZULLCSDID-MRXNPFEDSA-N 1 1 314.389 3.314 20 5 DGBDMO Cc1nc([C@@H]2CCC[N@H+]2CCc2ccc([N+](=O)[O-])cc2)[nH]c1C ZINC001176078265 1098243845 /nfs/dbraw/zinc/24/38/45/1098243845.db2.gz QWGALZULLCSDID-INIZCTEOSA-N 1 1 314.389 3.314 20 5 DGBDMO O=[N+]([O-])c1ccc(OCC[N@H+]2C[C@H]3C[C@@]3(c3ccccc3)C2)cc1 ZINC001176086210 1098245911 /nfs/dbraw/zinc/24/59/11/1098245911.db2.gz FNEHOXIONMLJTR-APWZRJJASA-N 1 1 324.380 3.247 20 5 DGBDMO COc1cc([N+](=O)[O-])ccc1C[N@H+]1CCCSC[C@H]1C1CC1 ZINC001176639900 1098395830 /nfs/dbraw/zinc/39/58/30/1098395830.db2.gz JXCITUKQNHEBMO-HNNXBMFYSA-N 1 1 322.430 3.321 20 5 DGBDMO CC(C)[N@H+]1CCC[C@@H](Oc2c(F)cc(F)cc2[N+](=O)[O-])C1 ZINC001233698366 1098411788 /nfs/dbraw/zinc/41/17/88/1098411788.db2.gz LBZFDKGCGGZKBF-LLVKDONJSA-N 1 1 300.305 3.125 20 5 DGBDMO CCC[C@@H]1CCC[N@H+]1CCC(=O)Nc1cccc([N+](=O)[O-])c1C ZINC001176783353 1098430055 /nfs/dbraw/zinc/43/00/55/1098430055.db2.gz VBRBDJGHXJSOCQ-CQSZACIVSA-N 1 1 319.405 3.496 20 5 DGBDMO O=[N+]([O-])c1cc(O[C@H]2CCC[N@@H+](Cc3ccccc3)C2)ccn1 ZINC001233855131 1098443641 /nfs/dbraw/zinc/44/36/41/1098443641.db2.gz NNQHGDPLURFFGT-INIZCTEOSA-N 1 1 313.357 3.033 20 5 DGBDMO O=[N+]([O-])c1cc(O[C@@H]2CCC[N@@H+](Cc3ccccc3)C2)ccn1 ZINC001233855132 1098443982 /nfs/dbraw/zinc/44/39/82/1098443982.db2.gz NNQHGDPLURFFGT-MRXNPFEDSA-N 1 1 313.357 3.033 20 5 DGBDMO Cc1ccc([N+](=O)[O-])c(C)c1CNCC[N@H+]1CCC[C@H](C)C1 ZINC001177262212 1098508748 /nfs/dbraw/zinc/50/87/48/1098508748.db2.gz QNEKFVISVWSILX-ZDUSSCGKSA-N 1 1 305.422 3.033 20 5 DGBDMO Cc1ccc([N+](=O)[O-])c(C)c1CNCC[N@@H+]1CCC[C@H](C)C1 ZINC001177262212 1098508751 /nfs/dbraw/zinc/50/87/51/1098508751.db2.gz QNEKFVISVWSILX-ZDUSSCGKSA-N 1 1 305.422 3.033 20 5 DGBDMO O=[N+]([O-])c1ccc(Cl)c(C[NH2+]Cc2ccc3c[nH]nc3c2)c1 ZINC001178171065 1098751780 /nfs/dbraw/zinc/75/17/80/1098751780.db2.gz OGPQAUSSURGMQQ-UHFFFAOYSA-N 1 1 316.748 3.414 20 5 DGBDMO Cc1ccc([N+](=O)[O-])c(C)c1C[N@@H+](CCO)Cc1ccccc1 ZINC001180375683 1099387833 /nfs/dbraw/zinc/38/78/33/1099387833.db2.gz WQUUFOCUENOOCK-UHFFFAOYSA-N 1 1 314.385 3.206 20 5 DGBDMO CC[C@@H]([NH2+]Cc1cn(C)nc1[N+](=O)[O-])c1ccc(C)c(F)c1 ZINC001192575981 1100638388 /nfs/dbraw/zinc/63/83/88/1100638388.db2.gz ZPSGHGBLUHUREK-CQSZACIVSA-N 1 1 306.341 3.017 20 5 DGBDMO Cc1ccc([C@@H](C)[NH2+]Cc2cccnc2[N+](=O)[O-])cc1[N+](=O)[O-] ZINC001192626482 1100646337 /nfs/dbraw/zinc/64/63/37/1100646337.db2.gz LRCYCXDCQXIRSF-LLVKDONJSA-N 1 1 316.317 3.057 20 5 DGBDMO C[C@H](NCc1cccc([N+](=O)[O-])c1)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC001193251014 1100721185 /nfs/dbraw/zinc/72/11/85/1100721185.db2.gz SYXPGMGODIFBBJ-HOCLYGCPSA-N 1 1 317.433 3.337 20 5 DGBDMO CCC[N@@H+]1CCCC[C@@H]1C(=O)OCc1ccc(F)cc1[N+](=O)[O-] ZINC001327944593 1103773467 /nfs/dbraw/zinc/77/34/67/1103773467.db2.gz MTNOKQMOXAORJS-CQSZACIVSA-N 1 1 324.352 3.042 20 5 DGBDMO CCC[N@H+]1CCCC[C@@H]1C(=O)OCc1ccc(F)cc1[N+](=O)[O-] ZINC001327944593 1103773475 /nfs/dbraw/zinc/77/34/75/1103773475.db2.gz MTNOKQMOXAORJS-CQSZACIVSA-N 1 1 324.352 3.042 20 5 DGBDMO C[C@H](C(=O)OCc1ccc(F)cc1[N+](=O)[O-])[NH+]1CCCCCC1 ZINC001330188615 1104503446 /nfs/dbraw/zinc/50/34/46/1104503446.db2.gz BIQUSMXCRNLEHL-GFCCVEGCSA-N 1 1 324.352 3.042 20 5 DGBDMO C[N@@H+]([C@H]1CCCC[C@@H]1N)[C@@H]1CCc2ccc([N+](=O)[O-])cc2CC1 ZINC001246921832 1104738033 /nfs/dbraw/zinc/73/80/33/1104738033.db2.gz SLZOSYOCIVVHAZ-NJAFHUGGSA-N 1 1 317.433 3.044 20 5 DGBDMO CC(C)[C@@H]([NH3+])c1nc(-c2ccc3ccc4cccnc4c3n2)no1 ZINC001247499420 1104913833 /nfs/dbraw/zinc/91/38/33/1104913833.db2.gz JRQSYPGQPCYMML-CQSZACIVSA-N 1 1 319.368 3.489 20 5 DGBDMO C[C@]([NH3+])(CO)c1nc(-c2cc3ccccc3c3ccccc23)no1 ZINC001247617949 1104938473 /nfs/dbraw/zinc/93/84/73/1104938473.db2.gz AWCWDZPEAJPIEE-IBGZPJMESA-N 1 1 319.364 3.209 20 5 DGBDMO Cc1ccc(-c2noc([C@@H]([NH3+])Cc3ccc([N+](=O)[O-])cc3)n2)cc1 ZINC001248209882 1105068936 /nfs/dbraw/zinc/06/89/36/1105068936.db2.gz BPCFCZGEEWNAKP-HNNXBMFYSA-N 1 1 324.340 3.196 20 5 DGBDMO O=[N+]([O-])c1ccc(N2CCC([N@H+]3CCCC[C@H](F)C3)CC2)cc1 ZINC001254473567 1106078193 /nfs/dbraw/zinc/07/81/93/1106078193.db2.gz FRIRSJHGWQZEQN-AWEZNQCLSA-N 1 1 321.396 3.388 20 5 DGBDMO C[C@@H](Cc1ccccc1[N+](=O)[O-])n1cc(CC[NH3+])c2cnccc21 ZINC001254545822 1106100753 /nfs/dbraw/zinc/10/07/53/1106100753.db2.gz DBOSTZKOUNGNTL-ZDUSSCGKSA-N 1 1 324.384 3.249 20 5 DGBDMO C[C@H](Cc1ccccc1[N+](=O)[O-])[N@H+]1CC[C@H](C)[C@@](C)(O)CC1 ZINC001254551857 1106101193 /nfs/dbraw/zinc/10/11/93/1106101193.db2.gz GKRHRNBCUJGBOV-VBQJREDUSA-N 1 1 306.406 3.009 20 5 DGBDMO C[C@H](Cc1ccccc1[N+](=O)[O-])[N@H+]1CC(C)(C)C[C@@]1(C)CO ZINC001254551469 1106101272 /nfs/dbraw/zinc/10/12/72/1106101272.db2.gz BOYDKJWKOAKTDC-DYVFJYSZSA-N 1 1 306.406 3.009 20 5 DGBDMO C[C@H](Cc1ccccc1[N+](=O)[O-])[N@H+]1CCC[C@](C)(CO)CC1 ZINC001254553744 1106102466 /nfs/dbraw/zinc/10/24/66/1106102466.db2.gz YISFSOLXPMRKKV-PBHICJAKSA-N 1 1 306.406 3.010 20 5 DGBDMO C[C@H](Cc1ccccc1[N+](=O)[O-])[N@H+]1CC[C@@H](C(F)(F)F)C1 ZINC001254559775 1106103983 /nfs/dbraw/zinc/10/39/83/1106103983.db2.gz MOJATHJNQAGXME-ZYHUDNBSSA-N 1 1 302.296 3.410 20 5 DGBDMO C[C@H](Cc1ccccc1[N+](=O)[O-])[N@H+]1CC[C@H]2O[C@@H](C)C[C@H]2C1 ZINC001254561253 1106104257 /nfs/dbraw/zinc/10/42/57/1106104257.db2.gz KOAOLZJTSVEXRM-RPCCPQHDSA-N 1 1 304.390 3.025 20 5 DGBDMO CCC[N@@H+]([C@H](C)Cc1ccccc1[N+](=O)[O-])C1CCOCC1 ZINC001254563681 1106104342 /nfs/dbraw/zinc/10/43/42/1106104342.db2.gz BCFSQZCUAMEQQI-CQSZACIVSA-N 1 1 306.406 3.417 20 5 DGBDMO COc1cccc2c1C[N@H+]([C@H]1Cc3ccc([N+](=O)[O-])cc3C1)CC2 ZINC001254598822 1106110927 /nfs/dbraw/zinc/11/09/27/1106110927.db2.gz MAUZLLKHVAJIQH-KRWDZBQOSA-N 1 1 324.380 3.129 20 5 DGBDMO Cc1nn(C[N@H+](CCc2ccccc2)C(C)C)c(C)c1[N+](=O)[O-] ZINC001320705619 1107111952 /nfs/dbraw/zinc/11/19/52/1107111952.db2.gz UVSJWHTYTDFORA-UHFFFAOYSA-N 1 1 316.405 3.319 20 5 DGBDMO COc1ccc(C[N@@H+](C)[C@H]2CC[C@H](SC)C2)cc1[N+](=O)[O-] ZINC001322159163 1107546988 /nfs/dbraw/zinc/54/69/88/1107546988.db2.gz PSPICECDFCBDLB-STQMWFEESA-N 1 1 310.419 3.319 20 5 DGBDMO CC(C)c1ocnc1C[N@H+](C)CCc1ccccc1[N+](=O)[O-] ZINC001323546951 1108009128 /nfs/dbraw/zinc/00/91/28/1108009128.db2.gz YRLSPRMNUXYBDY-UHFFFAOYSA-N 1 1 303.362 3.381 20 5 DGBDMO CC(C)c1ocnc1C[N@@H+](C)CCc1ccccc1[N+](=O)[O-] ZINC001323546951 1108009142 /nfs/dbraw/zinc/00/91/42/1108009142.db2.gz YRLSPRMNUXYBDY-UHFFFAOYSA-N 1 1 303.362 3.381 20 5 DGBDMO Cc1c([C@H](C)N[C@H]2CCCC[C@@H]2[NH+](C)C)cccc1[N+](=O)[O-] ZINC001319392918 1108445019 /nfs/dbraw/zinc/44/50/19/1108445019.db2.gz GPMYPXMGGPQYIQ-QRTARXTBSA-N 1 1 305.422 3.427 20 5 DGBDMO C[NH+](C)[C@@H]1CCCC[C@@H]1NC/C=C\c1ccccc1[N+](=O)[O-] ZINC001319832852 1108655257 /nfs/dbraw/zinc/65/52/57/1108655257.db2.gz UTLLOTFPHLGDCL-MJWHDNRXSA-N 1 1 303.406 3.070 20 5 DGBDMO Cc1cc(C)c(COc2cc([N+](=O)[O-])cc([N+](=O)[O-])c2)c(C)[nH+]1 ZINC001307371020 1111293050 /nfs/dbraw/zinc/29/30/50/1111293050.db2.gz ZPNWYAYBVCQVPI-UHFFFAOYSA-N 1 1 317.301 3.402 20 5 DGBDMO C[C@@H]1C[N@@H+](CCOc2ccc([N+](=O)[O-])cc2)[C@@H]2CCCC[C@H]21 ZINC001307603813 1111319103 /nfs/dbraw/zinc/31/91/03/1111319103.db2.gz PXCLJRLTXGGVJM-XOKHGSTOSA-N 1 1 304.390 3.484 20 5 DGBDMO C[N@@H+](CCSC(F)(F)F)CCc1cccc([N+](=O)[O-])c1 ZINC001307715669 1111331092 /nfs/dbraw/zinc/33/10/92/1111331092.db2.gz LCSOPDJWDUZVOJ-UHFFFAOYSA-N 1 1 308.325 3.322 20 5 DGBDMO C[C@@H]1CCSCC[N@H+]1CCCOc1ccc([N+](=O)[O-])cc1 ZINC001307739766 1111334058 /nfs/dbraw/zinc/33/40/58/1111334058.db2.gz GMVRNHZKJWHJOB-CYBMUJFWSA-N 1 1 310.419 3.191 20 5 DGBDMO O=[N+]([O-])c1ccccc1CN1C[C@@H]2C[C@H]1C[N@H+]2Cc1ccccc1 ZINC001307967651 1111360583 /nfs/dbraw/zinc/36/05/83/1111360583.db2.gz JJZKMXHJLOBAMK-ROUUACIJSA-N 1 1 323.396 3.054 20 5 DGBDMO CC(C)(C)OC[C@H]1CCC[N@H+]1CCOc1ccccc1[N+](=O)[O-] ZINC001308064036 1111373161 /nfs/dbraw/zinc/37/31/61/1111373161.db2.gz PJSVMBQFYZDAGY-CQSZACIVSA-N 1 1 322.405 3.253 20 5 DGBDMO CC[C@H](CSC)[N@@H+](C)Cc1nc2cc([N+](=O)[O-])ccc2[nH]1 ZINC000444690835 529409773 /nfs/dbraw/zinc/40/97/73/529409773.db2.gz VYWQTRNOAUOLPJ-SNVBAGLBSA-N 1 1 308.407 3.045 20 5 DGBDMO C[C@H]1CCC[N@@H+](CCC(=O)Nc2ccccc2[N+](=O)[O-])CC1 ZINC000063309348 432004747 /nfs/dbraw/zinc/00/47/47/432004747.db2.gz UJTYRDRZUGVIBO-ZDUSSCGKSA-N 1 1 305.378 3.045 20 5 DGBDMO CC[C@@]1(O)CC[N@@H+](Cc2ccc(-c3ccccc3[N+](=O)[O-])o2)C1 ZINC000428429214 529574379 /nfs/dbraw/zinc/57/43/79/529574379.db2.gz FNKJDFXQKKSIHL-QGZVFWFLSA-N 1 1 316.357 3.202 20 5 DGBDMO CC[N@@H+](CCC(=O)OC)Cc1ccc(C(C)C)c([N+](=O)[O-])c1 ZINC000092380131 185314547 /nfs/dbraw/zinc/31/45/47/185314547.db2.gz SFPLFTPJPGGUCN-UHFFFAOYSA-N 1 1 308.378 3.103 20 5 DGBDMO C[N@@H+](CCc1ccccc1)Cc1nc2cc([N+](=O)[O-])ccc2[nH]1 ZINC000444600539 529934652 /nfs/dbraw/zinc/93/46/52/529934652.db2.gz WVQQUESEOIHTID-UHFFFAOYSA-N 1 1 310.357 3.146 20 5 DGBDMO C[N@@H+](CCn1cc([N+](=O)[O-])cn1)[C@@H]1CCC[C@@H]1c1ccccc1 ZINC000297461567 529939732 /nfs/dbraw/zinc/93/97/32/529939732.db2.gz IBDDQBPAROAYMD-IAGOWNOFSA-N 1 1 314.389 3.059 20 5 DGBDMO Cc1cnn([C@@H]2CCC[N@H+]([C@@H](C)c3cccc([N+](=O)[O-])c3)C2)c1 ZINC000105900646 432019513 /nfs/dbraw/zinc/01/95/13/432019513.db2.gz UFEXACGFIGGVCR-WMLDXEAASA-N 1 1 314.389 3.498 20 5 DGBDMO CC[C@H](C)[C@H](C)[N@@H+](Cc1ccc(C(N)=O)cc1[N+](=O)[O-])C1CC1 ZINC000106439765 432021109 /nfs/dbraw/zinc/02/11/09/432021109.db2.gz GFLQSXGAGNKCAW-RYUDHWBXSA-N 1 1 319.405 3.093 20 5 DGBDMO CSCC[N@@H+](C)CCc1ncc(-c2cccc([N+](=O)[O-])c2)o1 ZINC000138209508 186014669 /nfs/dbraw/zinc/01/46/69/186014669.db2.gz JFNNWQATHJHIAN-UHFFFAOYSA-N 1 1 321.402 3.087 20 5 DGBDMO Cc1noc(CCC[N@@H+](C)Cc2cc([N+](=O)[O-])ccc2Cl)n1 ZINC000266859960 186362111 /nfs/dbraw/zinc/36/21/11/186362111.db2.gz GUALHFUDZWNCCU-UHFFFAOYSA-N 1 1 324.768 3.004 20 5 DGBDMO Cc1noc(CCC[N@H+](C)Cc2cc([N+](=O)[O-])ccc2Cl)n1 ZINC000266859960 186362113 /nfs/dbraw/zinc/36/21/13/186362113.db2.gz GUALHFUDZWNCCU-UHFFFAOYSA-N 1 1 324.768 3.004 20 5 DGBDMO C[N@@H+](Cc1cc([N+](=O)[O-])ccc1OC(F)F)[C@H]1CCSC1 ZINC000130637827 432028476 /nfs/dbraw/zinc/02/84/76/432028476.db2.gz WAWPBPOXAMHTQZ-NSHDSACASA-N 1 1 318.345 3.134 20 5 DGBDMO CC[C@]1(C)CCC[N@H+](CC(=O)Nc2ccccc2[N+](=O)[O-])C1 ZINC000072802988 191229733 /nfs/dbraw/zinc/22/97/33/191229733.db2.gz WHBWRZUZWAAOHP-MRXNPFEDSA-N 1 1 305.378 3.045 20 5 DGBDMO CC[C@]1(C)CCC[N@@H+](CC(=O)Nc2ccccc2[N+](=O)[O-])C1 ZINC000072802988 191229736 /nfs/dbraw/zinc/22/97/36/191229736.db2.gz WHBWRZUZWAAOHP-MRXNPFEDSA-N 1 1 305.378 3.045 20 5 DGBDMO CC(C)[N@H+]1CCC[C@H](CN[C@@H](C)c2cccc([N+](=O)[O-])c2)C1 ZINC000173388758 198209315 /nfs/dbraw/zinc/20/93/15/198209315.db2.gz YBVPNIZYXHTFAE-LSDHHAIUSA-N 1 1 305.422 3.366 20 5 DGBDMO CC(C)Oc1ccc([N+](=O)[O-])cc1C[N@@H+](C)CCOCC1CC1 ZINC000130938038 432031205 /nfs/dbraw/zinc/03/12/05/432031205.db2.gz PKHUMKJMSOMDLC-UHFFFAOYSA-N 1 1 322.405 3.240 20 5 DGBDMO CC(C)Oc1ccc([N+](=O)[O-])cc1C[N@H+](C)CCOCC1CC1 ZINC000130938038 432031203 /nfs/dbraw/zinc/03/12/03/432031203.db2.gz PKHUMKJMSOMDLC-UHFFFAOYSA-N 1 1 322.405 3.240 20 5 DGBDMO C[C@@H]1C[C@H](c2cccc(F)c2)[N@@H+](CCn2cc([N+](=O)[O-])cn2)C1 ZINC000174877096 198396060 /nfs/dbraw/zinc/39/60/60/198396060.db2.gz XNMXXSRCNWWPPL-MLGOLLRUSA-N 1 1 318.352 3.014 20 5 DGBDMO COc1ccc(C[N@H+](C)Cc2cccc([N+](=O)[O-])c2C)cc1O ZINC000080975738 192207917 /nfs/dbraw/zinc/20/79/17/192207917.db2.gz DVFCQEPSLHVKDA-UHFFFAOYSA-N 1 1 316.357 3.249 20 5 DGBDMO COc1ccc(C[N@@H+](C)Cc2cccc([N+](=O)[O-])c2C)cc1O ZINC000080975738 192207921 /nfs/dbraw/zinc/20/79/21/192207921.db2.gz DVFCQEPSLHVKDA-UHFFFAOYSA-N 1 1 316.357 3.249 20 5 DGBDMO COc1cc(C[NH2+][C@H](C)c2cccc(O)c2)c([N+](=O)[O-])cc1F ZINC000184306584 199701222 /nfs/dbraw/zinc/70/12/22/199701222.db2.gz UYRKVFZVMZBBMT-SNVBAGLBSA-N 1 1 320.320 3.299 20 5 DGBDMO COC[C@H](C)[N@H+](C)Cc1csc(-c2cccc([N+](=O)[O-])c2)n1 ZINC000179366066 199022072 /nfs/dbraw/zinc/02/20/72/199022072.db2.gz AWYBXAVUFCPSGD-NSHDSACASA-N 1 1 321.402 3.185 20 5 DGBDMO COC[C@H](C)[N@@H+](C)Cc1csc(-c2cccc([N+](=O)[O-])c2)n1 ZINC000179366066 199022074 /nfs/dbraw/zinc/02/20/74/199022074.db2.gz AWYBXAVUFCPSGD-NSHDSACASA-N 1 1 321.402 3.185 20 5 DGBDMO C[N@H+](Cc1ccc(-c2ccc([N+](=O)[O-])cc2)o1)C[C@@H]1CCOC1 ZINC000180158284 199125166 /nfs/dbraw/zinc/12/51/66/199125166.db2.gz VWRKZKGXKDGGHK-ZDUSSCGKSA-N 1 1 316.357 3.323 20 5 DGBDMO C[C@@H](O)[C@@H]1CC[N@@H+](Cc2ccc(-c3cccc([N+](=O)[O-])c3)o2)C1 ZINC000180857955 199219377 /nfs/dbraw/zinc/21/93/77/199219377.db2.gz HCHDZUXZMGHZND-TZMCWYRMSA-N 1 1 316.357 3.058 20 5 DGBDMO C[C@H](O)[C@H]1CC[N@@H+](Cc2ccc(-c3ccc([N+](=O)[O-])cc3)o2)C1 ZINC000180855479 199218985 /nfs/dbraw/zinc/21/89/85/199218985.db2.gz TYYKGGJQOJHHKN-JSGCOSHPSA-N 1 1 316.357 3.058 20 5 DGBDMO C[C@H](c1ccccc1[N+](=O)[O-])N1CC[N@H+]([C@@H]2C[C@@H]2C)C[C@H](C)C1 ZINC000428997446 238037423 /nfs/dbraw/zinc/03/74/23/238037423.db2.gz CMSWLDOVWUEZAY-BASYENTBSA-N 1 1 317.433 3.318 20 5 DGBDMO COC[C@@H]([NH2+]Cc1ccc([N+](=O)[O-])cc1OC)c1ccccc1 ZINC000430192580 238070143 /nfs/dbraw/zinc/07/01/43/238070143.db2.gz CFPLWSXJZSIKCQ-MRXNPFEDSA-N 1 1 316.357 3.081 20 5 DGBDMO COc1cc([N+](=O)[O-])ccc1C[N@H+](C)Cc1cccc(F)c1 ZINC000430203530 238070869 /nfs/dbraw/zinc/07/08/69/238070869.db2.gz OKYKVLCOKOKSLQ-UHFFFAOYSA-N 1 1 304.321 3.375 20 5 DGBDMO COc1cc([N+](=O)[O-])ccc1C[N@@H+](C)Cc1cccc(F)c1 ZINC000430203530 238070870 /nfs/dbraw/zinc/07/08/70/238070870.db2.gz OKYKVLCOKOKSLQ-UHFFFAOYSA-N 1 1 304.321 3.375 20 5 DGBDMO COc1ccc(OCC[N@@H+](C)[C@@H]2CC[C@@H](C)C2)c([N+](=O)[O-])c1 ZINC000429575845 238055640 /nfs/dbraw/zinc/05/56/40/238055640.db2.gz AWLMRIHPGJPPHF-CHWSQXEVSA-N 1 1 308.378 3.103 20 5 DGBDMO COc1cc([N+](=O)[O-])ccc1C[N@H+]1CCS[C@H](C(C)C)C1 ZINC000430240444 238072262 /nfs/dbraw/zinc/07/22/62/238072262.db2.gz UVWMZOWUPQPUBY-HNNXBMFYSA-N 1 1 310.419 3.177 20 5 DGBDMO O=[N+]([O-])c1cccc(CNC[C@@H]2CCC[N@H+]2C2CCCCC2)c1 ZINC000435726736 238340186 /nfs/dbraw/zinc/34/01/86/238340186.db2.gz RLKLMUIHBBCUFA-SFHVURJKSA-N 1 1 317.433 3.482 20 5 DGBDMO C[C@@H]1CCCC[N@H+]1CCCCNc1cc(N)ccc1[N+](=O)[O-] ZINC000193386717 201043182 /nfs/dbraw/zinc/04/31/82/201043182.db2.gz NNLJVOWEMQYVBG-CYBMUJFWSA-N 1 1 306.410 3.244 20 5 DGBDMO CSCC[C@H](C)[N@@H+](C)Cc1ccc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000193984736 201158128 /nfs/dbraw/zinc/15/81/28/201158128.db2.gz DODOSFCBMFTYPI-JTQLQIEISA-N 1 1 313.379 3.076 20 5 DGBDMO Cc1ccc([C@@H](CNc2ncc([N+](=O)[O-])s2)[NH+]2CCCC2)o1 ZINC000195512444 201397474 /nfs/dbraw/zinc/39/74/74/201397474.db2.gz OQUZPWLVJMRQPT-LLVKDONJSA-N 1 1 322.390 3.202 20 5 DGBDMO O=[N+]([O-])c1ccc2[nH]c(C[N@@H+]3CC[C@@H]3Cc3ccccc3)nc2c1 ZINC000444653758 239314883 /nfs/dbraw/zinc/31/48/83/239314883.db2.gz MXUIXHBFQAEZJX-CQSZACIVSA-N 1 1 322.368 3.288 20 5 DGBDMO O=[N+]([O-])c1ccc2[nH]c(C[N@H+]3CC[C@@H]3Cc3ccccc3)nc2c1 ZINC000444653758 239314887 /nfs/dbraw/zinc/31/48/87/239314887.db2.gz MXUIXHBFQAEZJX-CQSZACIVSA-N 1 1 322.368 3.288 20 5 DGBDMO O=[N+]([O-])c1ccccc1/C=C/C[N@H+]1CCSC[C@H]1C1CC1 ZINC000449528048 240269924 /nfs/dbraw/zinc/26/99/24/240269924.db2.gz MUZOPDROPLSWGG-WMHVBEDNSA-N 1 1 304.415 3.435 20 5 DGBDMO CC[C@H](C)C[N@@H+](C)Cc1cn(C)nc1-c1ccc([N+](=O)[O-])cc1 ZINC000091796016 193109914 /nfs/dbraw/zinc/10/99/14/193109914.db2.gz KIIOSIGBFTVLNO-ZDUSSCGKSA-N 1 1 316.405 3.473 20 5 DGBDMO C[N@H+]1CCC[C@H]2CN(C/C=C/c3ccccc3[N+](=O)[O-])CC[C@@H]21 ZINC000092043155 193145764 /nfs/dbraw/zinc/14/57/64/193145764.db2.gz GJCKUFWFWRTEEF-DGDBIBOCSA-N 1 1 315.417 3.024 20 5 DGBDMO Cn1cc(C[N@@H+](C)CCC2CC2)c(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000092067050 193152403 /nfs/dbraw/zinc/15/24/03/193152403.db2.gz GAOVDMXMWCIMGX-UHFFFAOYSA-N 1 1 314.389 3.227 20 5 DGBDMO C[C@H]1CN(Cc2c(Cl)cccc2[N+](=O)[O-])CC[N@H+](C2CC2)C1 ZINC000451089931 241003087 /nfs/dbraw/zinc/00/30/87/241003087.db2.gz FUVRTQRTVTVPAR-LBPRGKRZSA-N 1 1 323.824 3.164 20 5 DGBDMO C[C@@H]1C[C@H](c2ccccc2)[C@@H](C)[N@H+]1Cc1c([N+](=O)[O-])ncn1C ZINC000451187259 241037573 /nfs/dbraw/zinc/03/75/73/241037573.db2.gz PDEPBNQUMFGEPF-NFAWXSAZSA-N 1 1 314.389 3.095 20 5 DGBDMO C/C(=C\c1cccc([N+](=O)[O-])c1)CNCCC[N@@H+](C)C(C)C ZINC000468649207 244059657 /nfs/dbraw/zinc/05/96/57/244059657.db2.gz PEVOGASTXUYBFA-RVDMUPIBSA-N 1 1 305.422 3.318 20 5 DGBDMO C/C(=C\c1cccc([N+](=O)[O-])c1)CNCCC[N@H+](C)C(C)C ZINC000468649207 244059664 /nfs/dbraw/zinc/05/96/64/244059664.db2.gz PEVOGASTXUYBFA-RVDMUPIBSA-N 1 1 305.422 3.318 20 5 DGBDMO CCC[N@H+](CC)CCNC/C(C)=C/c1cccc([N+](=O)[O-])c1 ZINC000468748628 244064077 /nfs/dbraw/zinc/06/40/77/244064077.db2.gz UBIOLBOIAPZHDR-NTCAYCPXSA-N 1 1 305.422 3.320 20 5 DGBDMO CCC[N@@H+](CC)CCNC/C(C)=C/c1cccc([N+](=O)[O-])c1 ZINC000468748628 244064080 /nfs/dbraw/zinc/06/40/80/244064080.db2.gz UBIOLBOIAPZHDR-NTCAYCPXSA-N 1 1 305.422 3.320 20 5 DGBDMO C[C@@H]1C[C@H](O)C[N@H+]1Cc1ccc(-c2ccc([N+](=O)[O-])cc2)s1 ZINC000471804843 244249952 /nfs/dbraw/zinc/24/99/52/244249952.db2.gz OXHWVWLCEXKDOM-RISCZKNCSA-N 1 1 318.398 3.278 20 5 DGBDMO C[C@@H]1C[C@@H](O)C[N@H+]1Cc1ccc(-c2ccc([N+](=O)[O-])cc2)s1 ZINC000471804839 244250557 /nfs/dbraw/zinc/25/05/57/244250557.db2.gz OXHWVWLCEXKDOM-BXUZGUMPSA-N 1 1 318.398 3.278 20 5 DGBDMO C[N@@H+](CC1CC1)C[C@H]1CCN(c2ccc(Cl)cc2[N+](=O)[O-])C1 ZINC000471552968 244219372 /nfs/dbraw/zinc/21/93/72/244219372.db2.gz WTLKYBASBVKDHB-CYBMUJFWSA-N 1 1 323.824 3.416 20 5 DGBDMO C[C@H]1C[C@H](N(C)Cc2c(Cl)cccc2[N+](=O)[O-])CC[N@H+]1C ZINC000119285651 284139774 /nfs/dbraw/zinc/13/97/74/284139774.db2.gz KNFOMBBHKXGIJM-NWDGAFQWSA-N 1 1 311.813 3.163 20 5 DGBDMO C[C@H](Cc1ccc(O)cc1)[N@@H+](C)CCc1ccc([N+](=O)[O-])cc1 ZINC000119397605 284142464 /nfs/dbraw/zinc/14/24/64/284142464.db2.gz MKZZXQRTTHJNMW-CQSZACIVSA-N 1 1 314.385 3.406 20 5 DGBDMO C[N@H+](Cc1c(Cl)cccc1[N+](=O)[O-])[C@@H](CO)C(C)(C)C ZINC000119500402 284144385 /nfs/dbraw/zinc/14/43/85/284144385.db2.gz RKLIQYUMOGKBQU-ZDUSSCGKSA-N 1 1 300.786 3.087 20 5 DGBDMO C[N@@H+](Cc1c(Cl)cccc1[N+](=O)[O-])[C@@H](CO)C(C)(C)C ZINC000119500402 284144391 /nfs/dbraw/zinc/14/43/91/284144391.db2.gz RKLIQYUMOGKBQU-ZDUSSCGKSA-N 1 1 300.786 3.087 20 5 DGBDMO CCCC[N@@H+](C)CCNC(=O)Nc1cc([N+](=O)[O-])c(C)cc1C ZINC000119968173 284157522 /nfs/dbraw/zinc/15/75/22/284157522.db2.gz UCXRULXBBNJYBY-UHFFFAOYSA-N 1 1 322.409 3.065 20 5 DGBDMO Cc1cc(N[C@@H]2CCn3cc[nH+]c3C2)c2cccc([N+](=O)[O-])c2n1 ZINC000489890133 245358167 /nfs/dbraw/zinc/35/81/67/245358167.db2.gz DITKOKQVJANSHB-GFCCVEGCSA-N 1 1 323.356 3.075 20 5 DGBDMO CC[N@H+]1CC[C@@H](NCc2cc([N+](=O)[O-])ccc2Cl)[C@H](C)C1 ZINC000266131109 205124918 /nfs/dbraw/zinc/12/49/18/205124918.db2.gz DBKNDJGVXUIIET-IAQYHMDHSA-N 1 1 311.813 3.068 20 5 DGBDMO Cc1c([C@H](C)N[C@H]2CC[N@H+]3CCCC[C@@H]23)cccc1[N+](=O)[O-] ZINC000268779165 432131942 /nfs/dbraw/zinc/13/19/42/432131942.db2.gz PFFGSZGFPMNMKF-QRTARXTBSA-N 1 1 303.406 3.181 20 5 DGBDMO Cc1c([C@H](C)[NH2+][C@H]2CCN3CCCC[C@@H]23)cccc1[N+](=O)[O-] ZINC000268779165 432131944 /nfs/dbraw/zinc/13/19/44/432131944.db2.gz PFFGSZGFPMNMKF-QRTARXTBSA-N 1 1 303.406 3.181 20 5 DGBDMO C[C@H]1CC[C@@](CO)([N@H+](C)Cc2c(Cl)cccc2[N+](=O)[O-])C1 ZINC000495243457 246251728 /nfs/dbraw/zinc/25/17/28/246251728.db2.gz YAFUUQARGXBMIX-XHDPSFHLSA-N 1 1 312.797 3.231 20 5 DGBDMO C[C@H]1CC[C@@](CO)([N@@H+](C)Cc2c(Cl)cccc2[N+](=O)[O-])C1 ZINC000495243457 246251732 /nfs/dbraw/zinc/25/17/32/246251732.db2.gz YAFUUQARGXBMIX-XHDPSFHLSA-N 1 1 312.797 3.231 20 5 DGBDMO O=[N+]([O-])c1ccc(Cl)c(C[N@@H+]2CCC[C@H]2[C@@H]2CCCO2)c1 ZINC000284695779 218137178 /nfs/dbraw/zinc/13/71/78/218137178.db2.gz IFAPBQVEDKZTHQ-GJZGRUSLSA-N 1 1 310.781 3.392 20 5 DGBDMO O=[N+]([O-])c1ccc(Cl)c(C[N@H+]2CCC[C@H]2[C@@H]2CCCO2)c1 ZINC000284695779 218137180 /nfs/dbraw/zinc/13/71/80/218137180.db2.gz IFAPBQVEDKZTHQ-GJZGRUSLSA-N 1 1 310.781 3.392 20 5 DGBDMO Cc1[nH+]cn(Cc2ccc(Br)c([N+](=O)[O-])c2)c1C ZINC000159440712 197353844 /nfs/dbraw/zinc/35/38/44/197353844.db2.gz OGEVQLQEYNRUSI-UHFFFAOYSA-N 1 1 310.151 3.219 20 5 DGBDMO O=[N+]([O-])c1cc(C[N@@H+]2CCC[C@H]2[C@@H]2CCCO2)ccc1Cl ZINC000284986894 218248043 /nfs/dbraw/zinc/24/80/43/218248043.db2.gz YHJXFLKFIFTTSQ-ZFWWWQNUSA-N 1 1 310.781 3.392 20 5 DGBDMO O=[N+]([O-])c1cc(C[N@H+]2CCC[C@H]2[C@@H]2CCCO2)ccc1Cl ZINC000284986894 218248045 /nfs/dbraw/zinc/24/80/45/218248045.db2.gz YHJXFLKFIFTTSQ-ZFWWWQNUSA-N 1 1 310.781 3.392 20 5 DGBDMO Cc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@H+](CC(C)C)C1CC1 ZINC000063493187 184283697 /nfs/dbraw/zinc/28/36/97/184283697.db2.gz UABOBOVMEIVYES-UHFFFAOYSA-N 1 1 319.405 3.352 20 5 DGBDMO C[N@H+](CCc1cccc2ccccc21)CCn1cc([N+](=O)[O-])cn1 ZINC000174839990 252681816 /nfs/dbraw/zinc/68/18/16/252681816.db2.gz FJFLHFCCLYZOGC-UHFFFAOYSA-N 1 1 324.384 3.119 20 5 DGBDMO CCCc1[nH+]ccn1CC(=O)Nc1ccc(Cl)cc1[N+](=O)[O-] ZINC000270128605 208188248 /nfs/dbraw/zinc/18/82/48/208188248.db2.gz LYHSPSHTGVMKTD-UHFFFAOYSA-N 1 1 322.752 3.036 20 5 DGBDMO CC1(C)CCC[N@@H+](CCC(=O)Nc2ccccc2[N+](=O)[O-])CC1 ZINC000337258538 253072013 /nfs/dbraw/zinc/07/20/13/253072013.db2.gz UYVVHDWELJSEQO-UHFFFAOYSA-N 1 1 319.405 3.436 20 5 DGBDMO CC1CCC(O)(C[N@@H+](C)CCc2cccc([N+](=O)[O-])c2)CC1 ZINC000338363567 253273718 /nfs/dbraw/zinc/27/37/18/253273718.db2.gz WKAPTVLARFGTJX-UHFFFAOYSA-N 1 1 306.406 3.010 20 5 DGBDMO COc1ccc([N+](=O)[O-])c(NCC[N@@H+](C)Cc2ccccc2)c1 ZINC000338653760 253327417 /nfs/dbraw/zinc/32/74/17/253327417.db2.gz CZCSXDASQQHKBF-UHFFFAOYSA-N 1 1 315.373 3.147 20 5 DGBDMO C[N@@H+](CCc1cccc([N+](=O)[O-])c1)Cc1cc(O)cc(F)c1 ZINC000338956767 253378951 /nfs/dbraw/zinc/37/89/51/253378951.db2.gz VQWCGSCBCDXHBX-UHFFFAOYSA-N 1 1 304.321 3.114 20 5 DGBDMO CCc1cnc(C[N@H+](C)CCc2cccc([N+](=O)[O-])c2)s1 ZINC000338955388 253378999 /nfs/dbraw/zinc/37/89/99/253378999.db2.gz NJBPEVPVJFBCSQ-UHFFFAOYSA-N 1 1 305.403 3.288 20 5 DGBDMO CCc1cnc(C[N@@H+](C)CCc2cccc([N+](=O)[O-])c2)s1 ZINC000338955388 253379001 /nfs/dbraw/zinc/37/90/01/253379001.db2.gz NJBPEVPVJFBCSQ-UHFFFAOYSA-N 1 1 305.403 3.288 20 5 DGBDMO Cc1ccc2ncc(C[N@@H+](C)CCc3cccc([N+](=O)[O-])c3)n2c1 ZINC000338956869 253379010 /nfs/dbraw/zinc/37/90/10/253379010.db2.gz WAAZNPBAMJKSRA-UHFFFAOYSA-N 1 1 324.384 3.225 20 5 DGBDMO COc1ccccc1C[N@@H+](C)CCc1cccc([N+](=O)[O-])c1 ZINC000338956846 253379286 /nfs/dbraw/zinc/37/92/86/253379286.db2.gz BFFJWRRHLLIOPV-UHFFFAOYSA-N 1 1 300.358 3.278 20 5 DGBDMO COc1ccc(C[NH2+][C@H]2c3ccccc3O[C@H]2C)cc1[N+](=O)[O-] ZINC000288682538 220344408 /nfs/dbraw/zinc/34/44/08/220344408.db2.gz XFZRDXQORYBVPM-APPDUMDISA-N 1 1 314.341 3.215 20 5 DGBDMO O=[N+]([O-])c1ccc2c(c1)[C@H]([N@H+]1CCC[C@]3(CCOC3)C1)CCC2 ZINC000453357969 285144543 /nfs/dbraw/zinc/14/45/43/285144543.db2.gz JNBXEWVHYLWSSG-MSOLQXFVSA-N 1 1 316.401 3.475 20 5 DGBDMO O=[N+]([O-])c1cccc(Cl)c1C[N@H+]1CC[C@@]2(C1)CCCOC2 ZINC000341990041 285154171 /nfs/dbraw/zinc/15/41/71/285154171.db2.gz LGUNSXMZLMWJDQ-OAHLLOKOSA-N 1 1 310.781 3.251 20 5 DGBDMO CCC[N@H+]1CCC[C@@H]1CNc1ccc(C(C)=O)cc1[N+](=O)[O-] ZINC000343980653 254208699 /nfs/dbraw/zinc/20/86/99/254208699.db2.gz UBZZYKZGXARXJY-CQSZACIVSA-N 1 1 305.378 3.084 20 5 DGBDMO CC[C@@H]1CCC[N@H+]([C@H](C)C(=O)Nc2ccccc2[N+](=O)[O-])CC1 ZINC000343888008 254200312 /nfs/dbraw/zinc/20/03/12/254200312.db2.gz UDFUFZWIXGQTKG-ZIAGYGMSSA-N 1 1 319.405 3.434 20 5 DGBDMO CCC[N@H+]1CCC[C@@H]1CNc1ccc([N+](=O)[O-])c2cnccc12 ZINC000343919955 254202861 /nfs/dbraw/zinc/20/28/61/254202861.db2.gz JZYZQYJFGHYMRI-CYBMUJFWSA-N 1 1 314.389 3.429 20 5 DGBDMO CCC[N@H+]1CCC[C@H]1CNc1ccc(C(C)=O)cc1[N+](=O)[O-] ZINC000343980651 254208882 /nfs/dbraw/zinc/20/88/82/254208882.db2.gz UBZZYKZGXARXJY-AWEZNQCLSA-N 1 1 305.378 3.084 20 5 DGBDMO O=C(CC[N@H+]1CCC[C@H](C2CC2)C1)Nc1ccc([N+](=O)[O-])cc1 ZINC000344114090 254227275 /nfs/dbraw/zinc/22/72/75/254227275.db2.gz RYLKDHHUVKWHRY-AWEZNQCLSA-N 1 1 317.389 3.045 20 5 DGBDMO CC[C@]1(C)CC[N@@H+](CCC(=O)Nc2cc([N+](=O)[O-])ccc2C)C1 ZINC000344243659 254244751 /nfs/dbraw/zinc/24/47/51/254244751.db2.gz VNJYBQFEEAPNRJ-QGZVFWFLSA-N 1 1 319.405 3.354 20 5 DGBDMO COc1ncc(C[NH2+]Cc2csc([N+](=O)[O-])c2)cc1Cl ZINC000295129128 533213642 /nfs/dbraw/zinc/21/36/42/533213642.db2.gz YFUATMCKSYICBZ-UHFFFAOYSA-N 1 1 313.766 3.003 20 5 DGBDMO COc1ccc([N+](=O)[O-])cc1C[N@@H+]1CCc2cccc(C)c2C1 ZINC000429572065 533221113 /nfs/dbraw/zinc/22/11/13/533221113.db2.gz YUESFIKWDXNDDY-UHFFFAOYSA-N 1 1 312.369 3.470 20 5 DGBDMO COc1ccc([N+](=O)[O-])cc1C[N@H+]1CCc2cccc(C)c2C1 ZINC000429572065 533221119 /nfs/dbraw/zinc/22/11/19/533221119.db2.gz YUESFIKWDXNDDY-UHFFFAOYSA-N 1 1 312.369 3.470 20 5 DGBDMO Cc1cnn([C@H]2CC[N@H+](Cc3cc([N+](=O)[O-])ccc3Cl)C2)c1 ZINC000289771303 221216562 /nfs/dbraw/zinc/21/65/62/221216562.db2.gz GNCBGTHQJSVIPV-AWEZNQCLSA-N 1 1 320.780 3.200 20 5 DGBDMO Cc1cnn([C@H]2CC[N@@H+](Cc3cc([N+](=O)[O-])ccc3Cl)C2)c1 ZINC000289771303 221216565 /nfs/dbraw/zinc/21/65/65/221216565.db2.gz GNCBGTHQJSVIPV-AWEZNQCLSA-N 1 1 320.780 3.200 20 5 DGBDMO C/C(=C/c1cccc([N+](=O)[O-])c1)CN1CC[N@H+](C)CC[C@H]1C ZINC000470176768 533382397 /nfs/dbraw/zinc/38/23/97/533382397.db2.gz YZJOZOHNRSRYEP-QKXCFHHRSA-N 1 1 303.406 3.024 20 5 DGBDMO C/C(=C/c1cccc([N+](=O)[O-])c1)C[N@H+]1CCN(C)CC[C@H]1C ZINC000470176768 533382403 /nfs/dbraw/zinc/38/24/03/533382403.db2.gz YZJOZOHNRSRYEP-QKXCFHHRSA-N 1 1 303.406 3.024 20 5 DGBDMO C/C(=C/c1cccc([N+](=O)[O-])c1)C[N@@H+]1CCN(C)CC[C@H]1C ZINC000470176768 533382404 /nfs/dbraw/zinc/38/24/04/533382404.db2.gz YZJOZOHNRSRYEP-QKXCFHHRSA-N 1 1 303.406 3.024 20 5 DGBDMO CC(=Cc1cccc([N+](=O)[O-])c1)C[NH2+]Cc1nnc(C(C)C)[nH]1 ZINC000449405194 533384105 /nfs/dbraw/zinc/38/41/05/533384105.db2.gz JAPPRJLPWGHVKN-GHXNOFRVSA-N 1 1 315.377 3.029 20 5 DGBDMO C/C(=C\c1cccc([N+](=O)[O-])c1)CN1CC[N@H+](C)CC[C@@H]1C ZINC000470176767 533406458 /nfs/dbraw/zinc/40/64/58/533406458.db2.gz YZJOZOHNRSRYEP-GOFCXVBSSA-N 1 1 303.406 3.024 20 5 DGBDMO C/C(=C\c1cccc([N+](=O)[O-])c1)C[N@H+]1CCN(C)CC[C@@H]1C ZINC000470176767 533406465 /nfs/dbraw/zinc/40/64/65/533406465.db2.gz YZJOZOHNRSRYEP-GOFCXVBSSA-N 1 1 303.406 3.024 20 5 DGBDMO C/C(=C\c1cccc([N+](=O)[O-])c1)C[N@@H+]1CCN(C)CC[C@@H]1C ZINC000470176767 533406467 /nfs/dbraw/zinc/40/64/67/533406467.db2.gz YZJOZOHNRSRYEP-GOFCXVBSSA-N 1 1 303.406 3.024 20 5 DGBDMO COc1c(C)cnc(C[NH2+][C@@H](C)c2ccc([N+](=O)[O-])cc2)c1C ZINC000296718794 533411517 /nfs/dbraw/zinc/41/15/17/533411517.db2.gz MUVITIKCAOTFNM-ZDUSSCGKSA-N 1 1 315.373 3.466 20 5 DGBDMO O=[N+]([O-])c1c(N[C@H]2CC[N@H+]3CCCC[C@H]23)ccc2ncccc21 ZINC000066405012 400086619 /nfs/dbraw/zinc/08/66/19/400086619.db2.gz FSKWDAOUHOUXAX-GOEBONIOSA-N 1 1 312.373 3.182 20 5 DGBDMO Cc1ccc([N+](=O)[O-])cc1[C@H](C)N[C@@H]1CC[N@H+](C(C)(C)C)C1 ZINC000595056532 400092435 /nfs/dbraw/zinc/09/24/35/400092435.db2.gz LFNGNFFVUVDADB-UONOGXRCSA-N 1 1 305.422 3.427 20 5 DGBDMO Cc1ccc([N+](=O)[O-])cc1[C@H](C)[NH2+][C@@H]1CCN(C(C)(C)C)C1 ZINC000595056532 400092438 /nfs/dbraw/zinc/09/24/38/400092438.db2.gz LFNGNFFVUVDADB-UONOGXRCSA-N 1 1 305.422 3.427 20 5 DGBDMO O=c1cc(C[N@@H+]2CCC[C@@H](CO)C2)c2c(ccc3ccccc32)o1 ZINC000007449619 400104529 /nfs/dbraw/zinc/10/45/29/400104529.db2.gz KZPYIIHVOGIAQW-CQSZACIVSA-N 1 1 323.392 3.151 20 5 DGBDMO O=[N+]([O-])c1ccc(OCCC[N@H+]2CCC[C@H]2[C@H]2CCCO2)cc1 ZINC000285027339 400079252 /nfs/dbraw/zinc/07/92/52/400079252.db2.gz ZWSHDBADIJOPCY-DLBZAZTESA-N 1 1 320.389 3.007 20 5 DGBDMO C[C@@H](c1ccccc1[N+](=O)[O-])N1CCC[C@]2(CC[N@@H+](C)C2)C1 ZINC000595506971 400171975 /nfs/dbraw/zinc/17/19/75/400171975.db2.gz JIMDOWBTNZOGTE-WMLDXEAASA-N 1 1 303.406 3.074 20 5 DGBDMO C[C@H](C(=O)Nc1ccc([N+](=O)[O-])cc1)[N@H+](C)Cc1cccs1 ZINC000016586786 400175830 /nfs/dbraw/zinc/17/58/30/400175830.db2.gz ATZHYUCHICBNKD-LLVKDONJSA-N 1 1 319.386 3.115 20 5 DGBDMO C[C@H](C(=O)Nc1ccc([N+](=O)[O-])cc1)[N@@H+](C)Cc1cccs1 ZINC000016586786 400175835 /nfs/dbraw/zinc/17/58/35/400175835.db2.gz ATZHYUCHICBNKD-LLVKDONJSA-N 1 1 319.386 3.115 20 5 DGBDMO O=[N+]([O-])c1ccc2nc(N3CCC[C@@H](c4[nH]cc[nH+]4)C3)ccc2c1 ZINC000091480025 400123046 /nfs/dbraw/zinc/12/30/46/400123046.db2.gz NTFLKTVSOXINTR-CYBMUJFWSA-N 1 1 323.356 3.250 20 5 DGBDMO Cc1noc(C[N@H+]2CCC[C@@H]2Cc2ccccc2C)c1[N+](=O)[O-] ZINC000595316340 400124868 /nfs/dbraw/zinc/12/48/68/400124868.db2.gz AXLBTBZNWVMCTN-OAHLLOKOSA-N 1 1 315.373 3.407 20 5 DGBDMO CCOCCC[N@H+]1CC[C@H](Nc2ccc([N+](=O)[O-])cc2)[C@@H](C)C1 ZINC000609671494 400185838 /nfs/dbraw/zinc/18/58/38/400185838.db2.gz XEQMVVDKJPIXPN-YOEHRIQHSA-N 1 1 321.421 3.144 20 5 DGBDMO Cc1c(C[N@H+]2CCc3ccc(O)cc3CC2)cccc1[N+](=O)[O-] ZINC000608866719 400129579 /nfs/dbraw/zinc/12/95/79/400129579.db2.gz XGROUQFDDARWOO-UHFFFAOYSA-N 1 1 312.369 3.210 20 5 DGBDMO Cc1noc(C[N@H+]2CCc3ccccc3[C@@H](C)C2)c1[N+](=O)[O-] ZINC000595564724 400189364 /nfs/dbraw/zinc/18/93/64/400189364.db2.gz VDAZMIBKGTUIMZ-NSHDSACASA-N 1 1 301.346 3.053 20 5 DGBDMO O=[N+]([O-])c1ccc(N[C@@H]2CC[N@H+](C3CC3)C2)c(C(F)(F)F)c1 ZINC000314856684 400141695 /nfs/dbraw/zinc/14/16/95/400141695.db2.gz VEOADXASTMAAIF-SECBINFHSA-N 1 1 315.295 3.262 20 5 DGBDMO CCOCCC[N@H+]1CC[C@H](Nc2ccc([N+](=O)[O-])cc2)[C@H](C)C1 ZINC000609671490 400186542 /nfs/dbraw/zinc/18/65/42/400186542.db2.gz XEQMVVDKJPIXPN-PBHICJAKSA-N 1 1 321.421 3.144 20 5 DGBDMO C[C@@H]([NH2+]Cc1ccc(F)cc1[N+](=O)[O-])c1ccc2c(c1)OCO2 ZINC000595411470 400142993 /nfs/dbraw/zinc/14/29/93/400142993.db2.gz QPANGWGNTDMLLU-SNVBAGLBSA-N 1 1 318.304 3.313 20 5 DGBDMO COCC[C@@H]1CCCC[N@@H+](Cc2ccc(F)cc2[N+](=O)[O-])C1 ZINC000595442470 400152083 /nfs/dbraw/zinc/15/20/83/400152083.db2.gz SARFYBIIPZNXGY-ZDUSSCGKSA-N 1 1 310.369 3.373 20 5 DGBDMO CC[N@H+](Cc1onc(C)c1[N+](=O)[O-])[C@@H](C)Cc1ccsc1 ZINC000595447104 400153183 /nfs/dbraw/zinc/15/31/83/400153183.db2.gz BOTCNOVPCNXCBI-JTQLQIEISA-N 1 1 309.391 3.406 20 5 DGBDMO CC[N@@H+](Cc1onc(C)c1[N+](=O)[O-])[C@@H](C)Cc1ccsc1 ZINC000595447104 400153190 /nfs/dbraw/zinc/15/31/90/400153190.db2.gz BOTCNOVPCNXCBI-JTQLQIEISA-N 1 1 309.391 3.406 20 5 DGBDMO C[C@](CO)([NH2+]Cc1ccc([N+](=O)[O-])cc1Cl)c1ccccc1 ZINC000318140773 400155996 /nfs/dbraw/zinc/15/59/96/400155996.db2.gz ZMNPENOMHZOHIF-MRXNPFEDSA-N 1 1 320.776 3.246 20 5 DGBDMO C[C@H]1CC2(C[N@H+]1Cc1ccc(F)cc1[N+](=O)[O-])CCOCC2 ZINC000595558036 400187783 /nfs/dbraw/zinc/18/77/83/400187783.db2.gz NELVYJHERAVLEU-LBPRGKRZSA-N 1 1 308.353 3.125 20 5 DGBDMO C[C@H]([NH2+]Cc1cccc([N+](=O)[O-])c1)c1nc2ccccc2n1C ZINC000320313339 400164406 /nfs/dbraw/zinc/16/44/06/400164406.db2.gz VARJWXRDLIBYQL-LBPRGKRZSA-N 1 1 310.357 3.332 20 5 DGBDMO C[N@H+]1CC[C@]2(C1)CCCN(Cc1ccc([N+](=O)[O-])cc1Cl)C2 ZINC000595505031 400170000 /nfs/dbraw/zinc/17/00/00/400170000.db2.gz POIFHCNBWQNPPO-INIZCTEOSA-N 1 1 323.824 3.166 20 5 DGBDMO CCOC[C@@H]1CCN(c2cc[nH+]c3ccc([N+](=O)[O-])cc32)C1 ZINC000601123622 400240330 /nfs/dbraw/zinc/24/03/30/400240330.db2.gz GYCFRWZRSIGZHW-GFCCVEGCSA-N 1 1 301.346 3.006 20 5 DGBDMO CC(C)CO[C@@H]1CCN(c2cc[nH+]c3ccc([N+](=O)[O-])cc32)C1 ZINC000601130880 400242815 /nfs/dbraw/zinc/24/28/15/400242815.db2.gz ZQOMXEZZEWMVJH-CQSZACIVSA-N 1 1 315.373 3.394 20 5 DGBDMO COCC1(C)CCN(c2cc[nH+]c3ccc([N+](=O)[O-])cc32)CC1 ZINC000601137613 400245421 /nfs/dbraw/zinc/24/54/21/400245421.db2.gz FLMXCAYQPRALGC-UHFFFAOYSA-N 1 1 315.373 3.396 20 5 DGBDMO CCC1(O)CCC(Nc2cc[nH+]c3ccc([N+](=O)[O-])cc23)CC1 ZINC000601136520 400245787 /nfs/dbraw/zinc/24/57/87/400245787.db2.gz GXCVNCMWGZOHPF-UHFFFAOYSA-N 1 1 315.373 3.061 20 5 DGBDMO CCC1(CC)CCC[N@@H+](Cc2ccc(C(N)=O)cc2[N+](=O)[O-])C1 ZINC000595751579 400249963 /nfs/dbraw/zinc/24/99/63/400249963.db2.gz FKFJFKRZNMJUOF-UHFFFAOYSA-N 1 1 319.405 3.096 20 5 DGBDMO CC[C@@H]1CN(c2cc[nH+]c3ccc([N+](=O)[O-])cc32)CCCO1 ZINC000601160043 400252634 /nfs/dbraw/zinc/25/26/34/400252634.db2.gz QKJDVEFNNVMCCU-CYBMUJFWSA-N 1 1 301.346 3.148 20 5 DGBDMO Cc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@H+]1C[C@@H]2CCCC[C@@H]21 ZINC000595568445 400190578 /nfs/dbraw/zinc/19/05/78/400190578.db2.gz VKKMZQZYDCKGPS-BBRMVZONSA-N 1 1 317.389 3.106 20 5 DGBDMO Cc1c(NC(=O)CC[N@H+]2C[C@@H]3CCCC[C@@H]32)cccc1[N+](=O)[O-] ZINC000595566887 400190840 /nfs/dbraw/zinc/19/08/40/400190840.db2.gz OODWTLHVPPTYHK-BBRMVZONSA-N 1 1 317.389 3.106 20 5 DGBDMO O=[N+]([O-])c1cc(C(F)(F)F)ccc1N[C@H]1CC[N@H+](C2CC2)C1 ZINC000067711432 400196880 /nfs/dbraw/zinc/19/68/80/400196880.db2.gz WBSSZDKKCUWAGF-JTQLQIEISA-N 1 1 315.295 3.262 20 5 DGBDMO C[NH+](C)[C@@H](CNc1ccc([N+](=O)[O-])cn1)c1ccccc1Cl ZINC000022805610 400204256 /nfs/dbraw/zinc/20/42/56/400204256.db2.gz JWMRQBOVLDGQMH-AWEZNQCLSA-N 1 1 320.780 3.358 20 5 DGBDMO Cc1cnn([C@H]2CCN(c3cc[nH+]c4ccc([N+](=O)[O-])cc43)C2)c1 ZINC000601166819 400254774 /nfs/dbraw/zinc/25/47/74/400254774.db2.gz UFXWJNNUUIBXQQ-AWEZNQCLSA-N 1 1 323.356 3.099 20 5 DGBDMO C[C@@H]1COC2(CCCC2)C[N@@H+]1CCOc1ccccc1[N+](=O)[O-] ZINC000595814331 400266528 /nfs/dbraw/zinc/26/65/28/400266528.db2.gz FMXJLAIJTKNXJG-CQSZACIVSA-N 1 1 320.389 3.007 20 5 DGBDMO C[C@@H]1COC2(CCCC2)C[N@H+]1CCOc1ccccc1[N+](=O)[O-] ZINC000595814331 400266533 /nfs/dbraw/zinc/26/65/33/400266533.db2.gz FMXJLAIJTKNXJG-CQSZACIVSA-N 1 1 320.389 3.007 20 5 DGBDMO Cc1c(C[N@H+]2CC3(CCCC3)OC[C@H]2C)cccc1[N+](=O)[O-] ZINC000595815788 400268297 /nfs/dbraw/zinc/26/82/97/400268297.db2.gz SLUSCPBCBLRQDC-CYBMUJFWSA-N 1 1 304.390 3.437 20 5 DGBDMO Cc1c(C[N@@H+]2CC3(CCCC3)OC[C@H]2C)cccc1[N+](=O)[O-] ZINC000595815788 400268302 /nfs/dbraw/zinc/26/83/02/400268302.db2.gz SLUSCPBCBLRQDC-CYBMUJFWSA-N 1 1 304.390 3.437 20 5 DGBDMO C[C@@H](C(=O)Nc1ccc([N+](=O)[O-])cc1)[N@@H+]1[C@@H]2CC[C@H]1CC(C)C2 ZINC000595857997 400281986 /nfs/dbraw/zinc/28/19/86/400281986.db2.gz PYFNNZHWXSVYGI-AHBJDQSVSA-N 1 1 317.389 3.185 20 5 DGBDMO Cc1ncc([N+](=O)[O-])n1CC[N@H+](C)[C@@H]1CCCc2ccccc21 ZINC000610665219 400287019 /nfs/dbraw/zinc/28/70/19/400287019.db2.gz MFVMXOWZBCBSLI-MRXNPFEDSA-N 1 1 314.389 3.109 20 5 DGBDMO Cc1ccc(C[N@@H+]2CC(C)(C)[C@H]2[C@H]2CCCO2)cc1[N+](=O)[O-] ZINC000589520378 400304141 /nfs/dbraw/zinc/30/41/41/400304141.db2.gz CWSZTMGEUAWMBC-HZPDHXFCSA-N 1 1 304.390 3.293 20 5 DGBDMO Cc1ccc(C[N@H+]2CC(C)(C)[C@H]2[C@H]2CCCO2)cc1[N+](=O)[O-] ZINC000589520378 400304145 /nfs/dbraw/zinc/30/41/45/400304145.db2.gz CWSZTMGEUAWMBC-HZPDHXFCSA-N 1 1 304.390 3.293 20 5 DGBDMO CC[C@H](CSC)[N@@H+](C)CCCOc1ccc([N+](=O)[O-])cc1 ZINC000611350700 400383513 /nfs/dbraw/zinc/38/35/13/400383513.db2.gz QUEGQIDPTIXTOW-CYBMUJFWSA-N 1 1 312.435 3.437 20 5 DGBDMO CC(C)(C)[N@H+]1CC[C@@H](Nc2nccc3ccc([N+](=O)[O-])cc32)C1 ZINC000596337139 400384455 /nfs/dbraw/zinc/38/44/55/400384455.db2.gz UUGHCQDUWLPZIY-CYBMUJFWSA-N 1 1 314.389 3.428 20 5 DGBDMO O=[N+]([O-])c1sccc1N1CC[C@H]2[C@@H](CCC[N@H+]2C2CC2)C1 ZINC000610946711 400327173 /nfs/dbraw/zinc/32/71/73/400327173.db2.gz SRRZORVQWDNRSP-AAEUAGOBSA-N 1 1 307.419 3.109 20 5 DGBDMO Cc1cc(N2CC[C@H]3CC[C@@H](C2)[N@H+]3C(C)C)c([N+](=O)[O-])s1 ZINC000596144356 400329354 /nfs/dbraw/zinc/32/93/54/400329354.db2.gz DWTVMRCVKWMHPV-OLZOCXBDSA-N 1 1 309.435 3.416 20 5 DGBDMO CC(C)([NH2+]Cc1[nH]nc2ccccc21)c1ccccc1[N+](=O)[O-] ZINC000589939742 400340555 /nfs/dbraw/zinc/34/05/55/400340555.db2.gz ASPZJPUORDPTTA-UHFFFAOYSA-N 1 1 310.357 3.496 20 5 DGBDMO CC[N@H+]1CCCN(c2nc3ccccc3cc2[N+](=O)[O-])[C@@H](C)C1 ZINC000596268128 400367147 /nfs/dbraw/zinc/36/71/47/400367147.db2.gz DWOLXOZKLBGUNW-ZDUSSCGKSA-N 1 1 314.389 3.064 20 5 DGBDMO O=[N+]([O-])c1cc2c(cc1C[N@H+]1CCC[C@H]3CCC[C@@H]31)OCCO2 ZINC000611265442 400367687 /nfs/dbraw/zinc/36/76/87/400367687.db2.gz OOWUYECVGBKSLV-OCCSQVGLSA-N 1 1 318.373 3.131 20 5 DGBDMO CC(C)[C@@H]1C[N@@H+](CCCOc2ccc([N+](=O)[O-])cc2)CCCO1 ZINC000590211008 400370468 /nfs/dbraw/zinc/37/04/68/400370468.db2.gz QKQHXAJSLFOKHF-KRWDZBQOSA-N 1 1 322.405 3.111 20 5 DGBDMO CC(=O)c1ccc(NC[C@@H]2CC[N@H+]2C(C)(C)C)c([N+](=O)[O-])c1 ZINC000596308353 400375733 /nfs/dbraw/zinc/37/57/33/400375733.db2.gz RFFYRGKVDGCZGB-ZDUSSCGKSA-N 1 1 305.378 3.082 20 5 DGBDMO CC[C@@H]1C[C@@H](C)C[N@H+]1CCC(=O)Nc1cccc([N+](=O)[O-])c1C ZINC000072698160 400398492 /nfs/dbraw/zinc/39/84/92/400398492.db2.gz HIALTNODXMIOSE-TZMCWYRMSA-N 1 1 319.405 3.352 20 5 DGBDMO CC[C@@H]1C[C@H](C)C[N@H+]1CCC(=O)Nc1cccc([N+](=O)[O-])c1C ZINC000072698158 400398754 /nfs/dbraw/zinc/39/87/54/400398754.db2.gz HIALTNODXMIOSE-GXTWGEPZSA-N 1 1 319.405 3.352 20 5 DGBDMO Cc1c(C[N@@H+]2Cc3c[nH]nc3CC(C)(C)C2)cccc1[N+](=O)[O-] ZINC000596599413 400454650 /nfs/dbraw/zinc/45/46/50/400454650.db2.gz STZBOXMYMBOSSV-UHFFFAOYSA-N 1 1 314.389 3.211 20 5 DGBDMO Cc1c(C[N@H+]2Cc3c[nH]nc3CC(C)(C)C2)cccc1[N+](=O)[O-] ZINC000596599413 400454656 /nfs/dbraw/zinc/45/46/56/400454656.db2.gz STZBOXMYMBOSSV-UHFFFAOYSA-N 1 1 314.389 3.211 20 5 DGBDMO C[C@H](c1cccc([N+](=O)[O-])c1)[N@@H+]1Cc2c[nH]nc2CC(C)(C)C1 ZINC000596598450 400454765 /nfs/dbraw/zinc/45/47/65/400454765.db2.gz GLLQXQOIVGHXSB-GFCCVEGCSA-N 1 1 314.389 3.463 20 5 DGBDMO C[C@H](c1cccc([N+](=O)[O-])c1)[N@H+]1Cc2c[nH]nc2CC(C)(C)C1 ZINC000596598450 400454767 /nfs/dbraw/zinc/45/47/67/400454767.db2.gz GLLQXQOIVGHXSB-GFCCVEGCSA-N 1 1 314.389 3.463 20 5 DGBDMO COC[C@H]1CC[N@@H+](Cc2ccc(C(F)(F)F)cc2[N+](=O)[O-])C1 ZINC000602467961 400469961 /nfs/dbraw/zinc/46/99/61/400469961.db2.gz MFQOTBDQNROBBZ-JTQLQIEISA-N 1 1 318.295 3.082 20 5 DGBDMO C[C@@H](C(=O)Nc1cccc([N+](=O)[O-])c1)[N@H+]1CC[C@H](C2CCC2)C1 ZINC000591061958 400481117 /nfs/dbraw/zinc/48/11/17/400481117.db2.gz PNPAEDPKKVXMBS-JSGCOSHPSA-N 1 1 317.389 3.044 20 5 DGBDMO O=[N+]([O-])c1ccc2ccnc(N[C@H]3CC[N@@H+](CC4CC4)C3)c2c1 ZINC000591146213 400493259 /nfs/dbraw/zinc/49/32/59/400493259.db2.gz JTWOXDOHEXBWEP-AWEZNQCLSA-N 1 1 312.373 3.039 20 5 DGBDMO C[N@@H+](CCCOc1ccccc1)Cc1ccccc1[N+](=O)[O-] ZINC000046598938 400570889 /nfs/dbraw/zinc/57/08/89/400570889.db2.gz LRQQXAUWLCXXTL-UHFFFAOYSA-N 1 1 300.358 3.496 20 5 DGBDMO CC[C@H]1c2ccccc2CC[N@@H+]1CCn1c(C)ncc1[N+](=O)[O-] ZINC000602788103 400574317 /nfs/dbraw/zinc/57/43/17/400574317.db2.gz ROYQOYNQOBPXQQ-INIZCTEOSA-N 1 1 314.389 3.109 20 5 DGBDMO C[N@@H+](CCCCCO)Cc1ccc(C(F)(F)F)cc1[N+](=O)[O-] ZINC000602638392 400520041 /nfs/dbraw/zinc/52/00/41/400520041.db2.gz BVFPEPYJBRYJOR-UHFFFAOYSA-N 1 1 320.311 3.208 20 5 DGBDMO CC(C)[N@H+](Cc1cnc2n1CCC2)Cc1ccc([N+](=O)[O-])cc1 ZINC000596979990 400533171 /nfs/dbraw/zinc/53/31/71/400533171.db2.gz RHKZFDJFFHDLAV-UHFFFAOYSA-N 1 1 314.389 3.148 20 5 DGBDMO CC(C)[N@@H+](Cc1cnc2n1CCC2)Cc1ccc([N+](=O)[O-])cc1 ZINC000596979990 400533176 /nfs/dbraw/zinc/53/31/76/400533176.db2.gz RHKZFDJFFHDLAV-UHFFFAOYSA-N 1 1 314.389 3.148 20 5 DGBDMO COc1ccc(C[N@@H+](C)CCOc2cccc([N+](=O)[O-])c2)cc1 ZINC000046055786 400547413 /nfs/dbraw/zinc/54/74/13/400547413.db2.gz HWBNQSNCLOSTIN-UHFFFAOYSA-N 1 1 316.357 3.114 20 5 DGBDMO Cc1ncc([C@@H](C)[NH2+]Cc2nc3cc([N+](=O)[O-])ccc3[nH]2)s1 ZINC000602957394 400614709 /nfs/dbraw/zinc/61/47/09/400614709.db2.gz SKWQRAJMRRJNFW-MRVPVSSYSA-N 1 1 317.374 3.087 20 5 DGBDMO Cc1ncc([C@H](C)[NH2+]Cc2nc3cc([N+](=O)[O-])ccc3[nH]2)s1 ZINC000602957397 400614730 /nfs/dbraw/zinc/61/47/30/400614730.db2.gz SKWQRAJMRRJNFW-QMMMGPOBSA-N 1 1 317.374 3.087 20 5 DGBDMO Cc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@@H+]1CCC[C@H]1C(C)C ZINC000140511129 400619316 /nfs/dbraw/zinc/61/93/16/400619316.db2.gz NYLGEKAJIAWJOZ-INIZCTEOSA-N 1 1 319.405 3.352 20 5 DGBDMO Cc1c(C[N@H+]2CC[C@H](O)[C@@H]3CCCC[C@@H]32)cccc1[N+](=O)[O-] ZINC000602997823 400623867 /nfs/dbraw/zinc/62/38/67/400623867.db2.gz ROTSBYGXVJPFFQ-PVAVHDDUSA-N 1 1 304.390 3.029 20 5 DGBDMO C[N@@H+](CCOc1cccc([N+](=O)[O-])c1)C1Cc2ccccc2C1 ZINC000141370658 400624793 /nfs/dbraw/zinc/62/47/93/400624793.db2.gz NOTDGCRPLKMNSR-UHFFFAOYSA-N 1 1 312.369 3.073 20 5 DGBDMO C[C@@H]1OCC[C@H]1C[N@H+]1CCC[C@@H](c2ccc([N+](=O)[O-])cc2)C1 ZINC000602839652 400587870 /nfs/dbraw/zinc/58/78/70/400587870.db2.gz IAYBFKWHQWFAIL-CWRNSKLLSA-N 1 1 304.390 3.199 20 5 DGBDMO O=[N+]([O-])c1ccc(C[N@H+]2CCC[C@@H]2[C@@H]2CCCOC2)c(F)c1 ZINC000592134935 400611818 /nfs/dbraw/zinc/61/18/18/400611818.db2.gz VDDVGVWXTSEKDP-CZUORRHYSA-N 1 1 308.353 3.125 20 5 DGBDMO CCC[N@@H+](C/C=C/c1ccccc1[N+](=O)[O-])[C@H]1CCN(C)C1 ZINC000592521244 400662493 /nfs/dbraw/zinc/66/24/93/400662493.db2.gz YEZSRMNEVTUWJN-BVBGJJFLSA-N 1 1 303.406 3.024 20 5 DGBDMO CCCN(C/C=C/c1ccccc1[N+](=O)[O-])[C@H]1CC[N@H+](C)C1 ZINC000592521244 400662496 /nfs/dbraw/zinc/66/24/96/400662496.db2.gz YEZSRMNEVTUWJN-BVBGJJFLSA-N 1 1 303.406 3.024 20 5 DGBDMO CCCN(C/C=C/c1ccccc1[N+](=O)[O-])[C@H]1CC[N@@H+](C)C1 ZINC000592521244 400662497 /nfs/dbraw/zinc/66/24/97/400662497.db2.gz YEZSRMNEVTUWJN-BVBGJJFLSA-N 1 1 303.406 3.024 20 5 DGBDMO O=[N+]([O-])c1cc(C[NH+]2CCC(C3CCOCC3)CC2)cs1 ZINC000153753534 400688520 /nfs/dbraw/zinc/68/85/20/400688520.db2.gz XICFZSXBPFMDBI-UHFFFAOYSA-N 1 1 310.419 3.295 20 5 DGBDMO CCC1CC[NH+](Cc2nc(-c3cccc([N+](=O)[O-])c3)no2)CC1 ZINC000052279764 400726304 /nfs/dbraw/zinc/72/63/04/400726304.db2.gz CPPRGFONRVSEBM-UHFFFAOYSA-N 1 1 316.361 3.267 20 5 DGBDMO C[N@H+](CCOc1cccc([N+](=O)[O-])c1)Cc1ccc(F)cc1F ZINC000603662083 400707127 /nfs/dbraw/zinc/70/71/27/400707127.db2.gz GTOQFJAZKGDGJQ-UHFFFAOYSA-N 1 1 322.311 3.384 20 5 DGBDMO C[N@@H+](CCOc1cccc([N+](=O)[O-])c1)Cc1ccc(F)cc1F ZINC000603662083 400707135 /nfs/dbraw/zinc/70/71/35/400707135.db2.gz GTOQFJAZKGDGJQ-UHFFFAOYSA-N 1 1 322.311 3.384 20 5 DGBDMO C[N@H+](CCOc1ccccc1[N+](=O)[O-])Cc1ccc(F)cc1F ZINC000051709446 400707912 /nfs/dbraw/zinc/70/79/12/400707912.db2.gz CWUDKRGBYIWANW-UHFFFAOYSA-N 1 1 322.311 3.384 20 5 DGBDMO C[N@@H+](CCOc1ccccc1[N+](=O)[O-])Cc1ccc(F)cc1F ZINC000051709446 400707922 /nfs/dbraw/zinc/70/79/22/400707922.db2.gz CWUDKRGBYIWANW-UHFFFAOYSA-N 1 1 322.311 3.384 20 5 DGBDMO COCC[N@H+](Cc1cccs1)Cc1cccc([N+](=O)[O-])c1 ZINC000053099925 400764993 /nfs/dbraw/zinc/76/49/93/400764993.db2.gz GGCJMXCGTFYLDX-UHFFFAOYSA-N 1 1 306.387 3.305 20 5 DGBDMO COCC[N@@H+](Cc1cccs1)Cc1cccc([N+](=O)[O-])c1 ZINC000053099925 400764999 /nfs/dbraw/zinc/76/49/99/400764999.db2.gz GGCJMXCGTFYLDX-UHFFFAOYSA-N 1 1 306.387 3.305 20 5 DGBDMO C[N@H+](CCOc1ccc(F)cc1)Cc1ccccc1[N+](=O)[O-] ZINC000053421377 400782838 /nfs/dbraw/zinc/78/28/38/400782838.db2.gz IMMDOILZKZZRGM-UHFFFAOYSA-N 1 1 304.321 3.245 20 5 DGBDMO C[N@@H+](CCOc1ccc(F)cc1)Cc1ccccc1[N+](=O)[O-] ZINC000053421377 400782842 /nfs/dbraw/zinc/78/28/42/400782842.db2.gz IMMDOILZKZZRGM-UHFFFAOYSA-N 1 1 304.321 3.245 20 5 DGBDMO Cc1[nH+]ccn1CCCNc1ccc([N+](=O)[O-])c2cnccc12 ZINC000078333628 400789005 /nfs/dbraw/zinc/78/90/05/400789005.db2.gz DNXSTWFQCGKDDX-UHFFFAOYSA-N 1 1 311.345 3.150 20 5 DGBDMO CC(=O)c1ccc(NCCCCn2cc[nH+]c2C)c([N+](=O)[O-])c1 ZINC000078336204 400789640 /nfs/dbraw/zinc/78/96/40/400789640.db2.gz KPIXULWDJNIGRH-UHFFFAOYSA-N 1 1 316.361 3.195 20 5 DGBDMO CC1CCC([N@@H+](C)CC(=O)N(C)c2ccc([N+](=O)[O-])cc2)CC1 ZINC000053836958 400799373 /nfs/dbraw/zinc/79/93/73/400799373.db2.gz NQIUINPTULJCGX-UHFFFAOYSA-N 1 1 319.405 3.068 20 5 DGBDMO O=[N+]([O-])c1cc2c(cc1C[N@@H+](CC1CC1)C1CCC1)OCCO2 ZINC000619434458 400847959 /nfs/dbraw/zinc/84/79/59/400847959.db2.gz AEUOEPCJHDASIT-UHFFFAOYSA-N 1 1 318.373 3.131 20 5 DGBDMO Cc1nccnc1C[N@H+]1CCC[C@@H](c2ccc([N+](=O)[O-])cc2)C1 ZINC000598676138 400855600 /nfs/dbraw/zinc/85/56/00/400855600.db2.gz NSXSFCRIZAGYNA-OAHLLOKOSA-N 1 1 312.373 3.073 20 5 DGBDMO C[C@@H]([NH2+]Cc1nc2cc([N+](=O)[O-])ccc2[nH]1)c1ccsc1 ZINC000619782501 400905901 /nfs/dbraw/zinc/90/59/01/400905901.db2.gz AHTBFYLVPQEQOB-SECBINFHSA-N 1 1 302.359 3.383 20 5 DGBDMO Cc1cccn2cc(C[N@@H+](C)CCc3cccc([N+](=O)[O-])c3)nc12 ZINC000619785412 400907104 /nfs/dbraw/zinc/90/71/04/400907104.db2.gz LCGFUVCLZDJLEN-UHFFFAOYSA-N 1 1 324.384 3.225 20 5 DGBDMO C[N@H+](CCc1cccc([N+](=O)[O-])c1)Cc1noc2c1CCCC2 ZINC000619785177 400907287 /nfs/dbraw/zinc/90/72/87/400907287.db2.gz KKMUEGOHXLLYBS-UHFFFAOYSA-N 1 1 315.373 3.136 20 5 DGBDMO C[N@@H+](CCc1cccc([N+](=O)[O-])c1)Cc1noc2c1CCCC2 ZINC000619785177 400907290 /nfs/dbraw/zinc/90/72/90/400907290.db2.gz KKMUEGOHXLLYBS-UHFFFAOYSA-N 1 1 315.373 3.136 20 5 DGBDMO Cc1ccc([C@H](C)N[C@@H]2CC[N@@H+](C)C(C)(C)C2)cc1[N+](=O)[O-] ZINC000598965665 400914759 /nfs/dbraw/zinc/91/47/59/400914759.db2.gz OIMKDHOYCBBUOU-DZGCQCFKSA-N 1 1 305.422 3.427 20 5 DGBDMO Cc1ccc([C@H](C)[NH2+][C@@H]2CCN(C)C(C)(C)C2)cc1[N+](=O)[O-] ZINC000598965665 400914767 /nfs/dbraw/zinc/91/47/67/400914767.db2.gz OIMKDHOYCBBUOU-DZGCQCFKSA-N 1 1 305.422 3.427 20 5 DGBDMO O=[N+]([O-])c1cc(Cl)cnc1NC[C@H]1CC[N@H+]1C1CCCC1 ZINC000599164735 400982743 /nfs/dbraw/zinc/98/27/43/400982743.db2.gz LGLRFNFFZQBITR-GFCCVEGCSA-N 1 1 310.785 3.072 20 5 DGBDMO COC(=O)CCCC[N@H+]1CCC[C@@H](c2ccc([N+](=O)[O-])cc2)C1 ZINC000599433872 401049596 /nfs/dbraw/zinc/04/95/96/401049596.db2.gz LWXDZEPWLQQJLB-OAHLLOKOSA-N 1 1 320.389 3.118 20 5 DGBDMO COc1cc([N+](=O)[O-])ccc1C[NH+]1C[C@H](C)C(F)(F)[C@@H](C)C1 ZINC000599514177 401064906 /nfs/dbraw/zinc/06/49/06/401064906.db2.gz DVSDLQROPHHTDY-QWRGUYRKSA-N 1 1 314.332 3.327 20 5 DGBDMO Cc1ccc([C@H](C)[NH2+][C@H]2CCCn3ccnc32)cc1[N+](=O)[O-] ZINC000594498851 401081091 /nfs/dbraw/zinc/08/10/91/401081091.db2.gz LXZYSVCLJDOUTA-JSGCOSHPSA-N 1 1 300.362 3.285 20 5 DGBDMO Cc1c(NC(=O)CC[N@H+](C)C2CCCCC2)cccc1[N+](=O)[O-] ZINC000060089773 401100642 /nfs/dbraw/zinc/10/06/42/401100642.db2.gz CSEFMCIDGWWMLK-UHFFFAOYSA-N 1 1 319.405 3.496 20 5 DGBDMO CC[C@@H]1CCCC[N@H+]1CCC(=O)Nc1ccc([N+](=O)[O-])cc1C ZINC000060089764 401100680 /nfs/dbraw/zinc/10/06/80/401100680.db2.gz URVYIHFIYWAOAU-CQSZACIVSA-N 1 1 319.405 3.496 20 5 DGBDMO O=[N+]([O-])c1cc(C[N@H+]2CCCC3(CC3)CC2)c2c(c1)COCO2 ZINC000599672507 401108556 /nfs/dbraw/zinc/10/85/56/401108556.db2.gz IBBBWYSJHIDOIW-UHFFFAOYSA-N 1 1 318.373 3.227 20 5 DGBDMO C[C@H]1C[NH+](Cc2nc3cc([N+](=O)[O-])ccc3o2)C[C@H](C)S1 ZINC000083213907 401114567 /nfs/dbraw/zinc/11/45/67/401114567.db2.gz YPPQOOWPUPHLEQ-UWVGGRQHSA-N 1 1 307.375 3.062 20 5 DGBDMO C[C@@H]1C[N@@H+](Cc2nc3cc([N+](=O)[O-])ccc3o2)C[C@H](C)S1 ZINC000083213903 401114735 /nfs/dbraw/zinc/11/47/35/401114735.db2.gz YPPQOOWPUPHLEQ-AOOOYVTPSA-N 1 1 307.375 3.062 20 5 DGBDMO C[C@@H]1C[N@H+](Cc2nc3cc([N+](=O)[O-])ccc3o2)C[C@H](C)S1 ZINC000083213903 401114738 /nfs/dbraw/zinc/11/47/38/401114738.db2.gz YPPQOOWPUPHLEQ-AOOOYVTPSA-N 1 1 307.375 3.062 20 5 DGBDMO C[C@H]1CC(F)(F)CC[N@H+]1CCOc1ccc([N+](=O)[O-])cc1 ZINC000599624783 401093467 /nfs/dbraw/zinc/09/34/67/401093467.db2.gz YNVMSPLOZMVYRK-NSHDSACASA-N 1 1 300.305 3.093 20 5 DGBDMO O=[N+]([O-])c1ccc(CN[C@H]2CCC[N@H+]3CCCC[C@H]23)c(Cl)c1 ZINC000594518582 401095469 /nfs/dbraw/zinc/09/54/69/401095469.db2.gz IEWLWTTXXBDXMP-JKSUJKDBSA-N 1 1 323.824 3.355 20 5 DGBDMO O=[N+]([O-])c1ccc(C[NH2+][C@H]2CCCN3CCCC[C@H]23)c(Cl)c1 ZINC000594518582 401095475 /nfs/dbraw/zinc/09/54/75/401095475.db2.gz IEWLWTTXXBDXMP-JKSUJKDBSA-N 1 1 323.824 3.355 20 5 DGBDMO NC1(C[NH2+][C@@H]2CCC[C@@H]2Cc2ccccc2[N+](=O)[O-])CCCC1 ZINC000594738032 401166070 /nfs/dbraw/zinc/16/60/70/401166070.db2.gz ATGZTKQSGUJSJX-GDBMZVCRSA-N 1 1 317.433 3.167 20 5 DGBDMO CC[C@@H](c1ccccc1)[N@@H+](CC)CCn1ccc([N+](=O)[O-])n1 ZINC000358265999 286015749 /nfs/dbraw/zinc/01/57/49/286015749.db2.gz OURBLOYERARSSK-HNNXBMFYSA-N 1 1 302.378 3.265 20 5 DGBDMO Cc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@@H+]1CCC[C@@H]1C(C)C ZINC000063618819 401204780 /nfs/dbraw/zinc/20/47/80/401204780.db2.gz NYLGEKAJIAWJOZ-MRXNPFEDSA-N 1 1 319.405 3.352 20 5 DGBDMO C[N@@H+](CCC(=O)Nc1ccccc1[N+](=O)[O-])CC1CCCC1 ZINC000064020638 401226512 /nfs/dbraw/zinc/22/65/12/401226512.db2.gz WGLVZZIMIOYPMQ-UHFFFAOYSA-N 1 1 305.378 3.045 20 5 DGBDMO Cc1c(NC(=O)[C@H](C)[N@H+]2CCC[C@@H](C)CC2)cccc1[N+](=O)[O-] ZINC000063302742 401188290 /nfs/dbraw/zinc/18/82/90/401188290.db2.gz RJXPHHVLGGLPTE-OCCSQVGLSA-N 1 1 319.405 3.352 20 5 DGBDMO CC[C@H](C[NH2+][C@H](C)c1ccc([N+](=O)[O-])cc1OC)N1CCCC1 ZINC000595006671 401226941 /nfs/dbraw/zinc/22/69/41/401226941.db2.gz HYRVKTOHNQNGPR-ZIAGYGMSSA-N 1 1 321.421 3.128 20 5 DGBDMO C[N@@H+](CCCOc1ccc([N+](=O)[O-])cc1)C(C1CC1)C1CC1 ZINC000065243067 401260344 /nfs/dbraw/zinc/26/03/44/401260344.db2.gz BACMYZPRWPTCDT-UHFFFAOYSA-N 1 1 304.390 3.484 20 5 DGBDMO O=[N+]([O-])c1ccc(C[N@H+]2CC[C@@H](c3ccco3)C2)c([N+](=O)[O-])c1 ZINC000364762217 287059135 /nfs/dbraw/zinc/05/91/35/287059135.db2.gz YOGORPWEUHLTEL-GFCCVEGCSA-N 1 1 317.301 3.086 20 5 DGBDMO CC[C@@H]1[C@H](C)CC[N@H+]1CCC(=O)Nc1cccc([N+](=O)[O-])c1C ZINC000185653051 165011306 /nfs/dbraw/zinc/01/13/06/165011306.db2.gz SLLBQBYFTLBIMZ-IUODEOHRSA-N 1 1 319.405 3.352 20 5 DGBDMO CCn1nc(C)c([N+](=O)[O-])c1NCC(C)(C)[N@H+]1CCC[C@@H](C)C1 ZINC000192558260 165296879 /nfs/dbraw/zinc/29/68/79/165296879.db2.gz XNLSEBSYSSDLBY-GFCCVEGCSA-N 1 1 323.441 3.042 20 5 DGBDMO O=[N+]([O-])c1cc(Cl)ccc1C[N@H+]1CC[C@@H]2OCCC[C@H]2C1 ZINC000246739129 432160833 /nfs/dbraw/zinc/16/08/33/432160833.db2.gz PAVFIQWESXXNSX-WFASDCNBSA-N 1 1 310.781 3.249 20 5 DGBDMO CC(C)N(C)c1ccc(C[NH2+]Cc2ccccc2[N+](=O)[O-])cn1 ZINC000190783248 432189433 /nfs/dbraw/zinc/18/94/33/432189433.db2.gz WAKGIQBGMWAIKM-UHFFFAOYSA-N 1 1 314.389 3.124 20 5 DGBDMO O=[N+]([O-])c1cccc([C@@H](O)C[N@H+]2CCC[C@H]2c2ccccc2)c1 ZINC000269687165 432197442 /nfs/dbraw/zinc/19/74/42/432197442.db2.gz SXSHSGUAKRZKKY-ROUUACIJSA-N 1 1 312.369 3.465 20 5 DGBDMO Cc1n[nH]c(C)c1[C@H]1CCC[N@H+]1Cc1ccc([N+](=O)[O-])cc1 ZINC000130611467 196095501 /nfs/dbraw/zinc/09/55/01/196095501.db2.gz JNUTTWYHKIMWER-OAHLLOKOSA-N 1 1 300.362 3.272 20 5 DGBDMO C[C@@H](O)C[N@@H+](C)Cc1ccc(-c2ccccc2[N+](=O)[O-])s1 ZINC000130802708 196111235 /nfs/dbraw/zinc/11/12/35/196111235.db2.gz BHBOPPIBANIFTC-LLVKDONJSA-N 1 1 306.387 3.136 20 5 DGBDMO CC1(C)COCC[N@@H+]1Cc1ccc(-c2ccccc2[N+](=O)[O-])o1 ZINC000130880355 196118603 /nfs/dbraw/zinc/11/86/03/196118603.db2.gz QUKHVIWVWPWNMB-UHFFFAOYSA-N 1 1 316.357 3.466 20 5 DGBDMO CC1(C)COCC[N@H+]1Cc1ccc(-c2ccccc2[N+](=O)[O-])o1 ZINC000130880355 196118605 /nfs/dbraw/zinc/11/86/05/196118605.db2.gz QUKHVIWVWPWNMB-UHFFFAOYSA-N 1 1 316.357 3.466 20 5 DGBDMO CCOC(=O)[C@H]1CCC[N@H+]([C@@H](C)c2cc([N+](=O)[O-])ccc2C)C1 ZINC000182594733 432208438 /nfs/dbraw/zinc/20/84/38/432208438.db2.gz IZPIDMKXJSOUHR-KBPBESRZSA-N 1 1 320.389 3.239 20 5 DGBDMO Cc1cccc([N+](=O)[O-])c1N1CCC[N@H+](C2CCCC2)CC1 ZINC000172373305 432211369 /nfs/dbraw/zinc/21/13/69/432211369.db2.gz ZDJICVVMDZPYCO-UHFFFAOYSA-N 1 1 303.406 3.358 20 5 DGBDMO CCOc1cc(NC[C@@H]2CCC[N@@H+](CC)C2)ccc1[N+](=O)[O-] ZINC000133260621 196325290 /nfs/dbraw/zinc/32/52/90/196325290.db2.gz LGFBEWNALKZJTM-ZDUSSCGKSA-N 1 1 307.394 3.137 20 5 DGBDMO O=C1CCC(C[N@H+](Cc2cccc([N+](=O)[O-])c2)C2CC2)CC1 ZINC000296719351 226157445 /nfs/dbraw/zinc/15/74/45/226157445.db2.gz HKXBCNVEEMIMPX-UHFFFAOYSA-N 1 1 302.374 3.319 20 5 DGBDMO C[C@H]1C[N@H+](C)CCN1C(=O)c1cc2ccccc2c2cccnc12 ZINC000344455326 229137040 /nfs/dbraw/zinc/13/70/40/229137040.db2.gz SQBZIFAEHXOMDI-AWEZNQCLSA-N 1 1 319.408 3.164 20 5 DGBDMO C[C@H]1C[N@@H+](C)CCN1C(=O)c1cc2ccccc2c2cccnc12 ZINC000344455326 229137043 /nfs/dbraw/zinc/13/70/43/229137043.db2.gz SQBZIFAEHXOMDI-AWEZNQCLSA-N 1 1 319.408 3.164 20 5 DGBDMO C[C@@H]1C[N@H+](C)CCN1C(=O)c1cc2ccccc2c2cccnc12 ZINC000344455329 229137674 /nfs/dbraw/zinc/13/76/74/229137674.db2.gz SQBZIFAEHXOMDI-CQSZACIVSA-N 1 1 319.408 3.164 20 5 DGBDMO C[C@@H]1C[N@@H+](C)CCN1C(=O)c1cc2ccccc2c2cccnc12 ZINC000344455329 229137675 /nfs/dbraw/zinc/13/76/75/229137675.db2.gz SQBZIFAEHXOMDI-CQSZACIVSA-N 1 1 319.408 3.164 20 5 DGBDMO Cc1cc([N+](=O)[O-])cnc1NCC(C)(C)[N@H+]1CCC[C@@H](C)C1 ZINC000301968133 230010185 /nfs/dbraw/zinc/01/01/85/230010185.db2.gz XQBZIJYQUMSUDC-GFCCVEGCSA-N 1 1 306.410 3.221 20 5 DGBDMO C[C@@H]1C[C@H](C[NH3+])CN1Cc1ccc(-c2ccc([N+](=O)[O-])cc2)o1 ZINC000346678639 264078335 /nfs/dbraw/zinc/07/83/35/264078335.db2.gz MKOAXQBODSROGM-CHWSQXEVSA-N 1 1 315.373 3.024 20 5 DGBDMO COC(=O)[C@@H]1CC[N@@H+](Cc2ccc(C(C)C)c([N+](=O)[O-])c2)[C@H]1C ZINC000347272082 264187633 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DGBDMO C[C@H](CO)[N@@H+](C/C=C\c1ccccc1[N+](=O)[O-])CC1CCC1 ZINC000348333949 264392503 /nfs/dbraw/zinc/39/25/03/264392503.db2.gz DHSOZYMLTBRKOC-VYLZPFMQSA-N 1 1 304.390 3.091 20 5 DGBDMO O=[N+]([O-])c1cc(F)c(C[N@@H+](CCO)C2CCCCC2)c(F)c1 ZINC000351761036 264806148 /nfs/dbraw/zinc/80/61/48/264806148.db2.gz WBDMVPUGGFBQIZ-UHFFFAOYSA-N 1 1 314.332 3.000 20 5 DGBDMO O=[N+]([O-])c1cc(F)c(C[N@H+](CCO)C2CCCCC2)c(F)c1 ZINC000351761036 264806149 /nfs/dbraw/zinc/80/61/49/264806149.db2.gz WBDMVPUGGFBQIZ-UHFFFAOYSA-N 1 1 314.332 3.000 20 5 DGBDMO CC[N@H+]1C[C@@H](C)N(c2nc3ccccc3cc2[N+](=O)[O-])C[C@H]1C ZINC000352349729 265011093 /nfs/dbraw/zinc/01/10/93/265011093.db2.gz HBESUXRNUPOHND-CHWSQXEVSA-N 1 1 314.389 3.062 20 5 DGBDMO CCC[C@@]1(CO)CCC[N@@H+]1Cc1c(F)cc([N+](=O)[O-])cc1F ZINC000352400697 265033376 /nfs/dbraw/zinc/03/33/76/265033376.db2.gz FJAZPKPGXBYBAY-HNNXBMFYSA-N 1 1 314.332 3.000 20 5 DGBDMO CCC[C@@]1(CO)CCC[N@H+]1Cc1c(F)cc([N+](=O)[O-])cc1F ZINC000352400697 265033380 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3.044 20 5 DGBDMO O=[N+]([O-])c1ccccc1/C=C\C[N@H+]1CCc2ccccc2[C@@H]1CO ZINC000255076481 432407632 /nfs/dbraw/zinc/40/76/32/432407632.db2.gz ARQCFXORQINSLT-ZXYDQQDNSA-N 1 1 324.380 3.200 20 5 DGBDMO CC[C@H]([NH2+]Cc1cc([N+](=O)[O-])ccc1Cl)c1cnn(C)c1 ZINC000271511692 432412009 /nfs/dbraw/zinc/41/20/09/432412009.db2.gz OVIPULLPZLVMFA-AWEZNQCLSA-N 1 1 308.769 3.223 20 5 DGBDMO CC[C@H]1CC[C@@H](C)[N@H+]1Cc1cc([N+](=O)[O-])cc2c1OCOC2 ZINC000271532717 432416910 /nfs/dbraw/zinc/41/69/10/432416910.db2.gz MNUJFCAODJJRDG-RISCZKNCSA-N 1 1 306.362 3.224 20 5 DGBDMO CCOc1ccc([C@@H](C)NC[C@@H](C)[N@H+](C)C2CC2)cc1[N+](=O)[O-] ZINC000153623940 432426014 /nfs/dbraw/zinc/42/60/14/432426014.db2.gz YMRVYXYHGUNELX-CHWSQXEVSA-N 1 1 321.421 3.127 20 5 DGBDMO CCOc1ccc([C@@H](C)NC[C@@H](C)[N@@H+](C)C2CC2)cc1[N+](=O)[O-] ZINC000153623940 432426018 /nfs/dbraw/zinc/42/60/18/432426018.db2.gz YMRVYXYHGUNELX-CHWSQXEVSA-N 1 1 321.421 3.127 20 5 DGBDMO CC(C)[N@H+]1CCC[C@H](CNc2ncc(Cl)cc2[N+](=O)[O-])C1 ZINC000153645081 432427651 /nfs/dbraw/zinc/42/76/51/432427651.db2.gz QAXAMCWVVWMNRK-LLVKDONJSA-N 1 1 312.801 3.176 20 5 DGBDMO COCC[C@@H]([NH2+]Cc1cccc([N+](=O)[O-])c1)c1ccc(C)o1 ZINC000272257213 432471998 /nfs/dbraw/zinc/47/19/98/432471998.db2.gz IYRRQDCZIXMWGN-OAHLLOKOSA-N 1 1 304.346 3.364 20 5 DGBDMO C[N@@H+](CCC(=O)Nc1cc([N+](=O)[O-])ccc1F)C1CCCCC1 ZINC000185166450 432473110 /nfs/dbraw/zinc/47/31/10/432473110.db2.gz YTIQMRPKESMYQU-UHFFFAOYSA-N 1 1 323.368 3.327 20 5 DGBDMO COc1ccc([N+](=O)[O-])cc1C[N@@H+]1CCC[C@@H]1c1ccncc1 ZINC000154105212 432473778 /nfs/dbraw/zinc/47/37/78/432473778.db2.gz XZCGBTWQHTXOBT-MRXNPFEDSA-N 1 1 313.357 3.336 20 5 DGBDMO COc1ccc([N+](=O)[O-])cc1C[N@H+]1CCC[C@@H]1c1ccncc1 ZINC000154105212 432473779 /nfs/dbraw/zinc/47/37/79/432473779.db2.gz XZCGBTWQHTXOBT-MRXNPFEDSA-N 1 1 313.357 3.336 20 5 DGBDMO COc1cc(C[N@H+](C)Cc2ccccc2)c([N+](=O)[O-])cc1OC ZINC000154454398 432499562 /nfs/dbraw/zinc/49/95/62/432499562.db2.gz YPLXLJZVEIGHOZ-UHFFFAOYSA-N 1 1 316.357 3.244 20 5 DGBDMO COc1cc(C[N@@H+](C)Cc2ccccc2)c([N+](=O)[O-])cc1OC ZINC000154454398 432499567 /nfs/dbraw/zinc/49/95/67/432499567.db2.gz YPLXLJZVEIGHOZ-UHFFFAOYSA-N 1 1 316.357 3.244 20 5 DGBDMO O=[N+]([O-])c1ccn(CC[N@@H+](Cc2ccoc2)C2CCCCC2)n1 ZINC000176262452 432505524 /nfs/dbraw/zinc/50/55/24/432505524.db2.gz SXICHGJLVOOIIR-UHFFFAOYSA-N 1 1 318.377 3.219 20 5 DGBDMO CC[C@@H]1[C@@H](C)CC[N@H+]1Cc1nnc(-c2ccc([N+](=O)[O-])cc2)o1 ZINC000185605582 432515678 /nfs/dbraw/zinc/51/56/78/432515678.db2.gz YCVOTZYBQQGORO-SMDDNHRTSA-N 1 1 316.361 3.265 20 5 DGBDMO Cc1ccc([C@H](C)[NH2+][C@H](CCO)c2ccco2)cc1[N+](=O)[O-] ZINC000186531120 432605240 /nfs/dbraw/zinc/60/52/40/432605240.db2.gz KMWFWSZHMSOLJY-GXTWGEPZSA-N 1 1 304.346 3.271 20 5 DGBDMO CCOc1cccc(N2CCC[C@H](c3[nH]cc[nH+]3)C2)c1[N+](=O)[O-] ZINC000273849495 432632234 /nfs/dbraw/zinc/63/22/34/432632234.db2.gz JOMSRRTVJRDTLR-LBPRGKRZSA-N 1 1 316.361 3.101 20 5 DGBDMO COC[C@H]([NH2+]C/C=C/c1ccccc1[N+](=O)[O-])c1ccco1 ZINC000177576151 432638617 /nfs/dbraw/zinc/63/86/17/432638617.db2.gz RSVLFVFXGQZLAB-GBXSZLQWSA-N 1 1 302.330 3.178 20 5 DGBDMO C[N@H+]1CCC[C@H]2CN(Cc3ccc(Cl)cc3[N+](=O)[O-])CC[C@@H]21 ZINC000158492535 432647548 /nfs/dbraw/zinc/64/75/48/432647548.db2.gz IPYBFIVIMJFHHI-WFASDCNBSA-N 1 1 323.824 3.164 20 5 DGBDMO Cc1c([C@@H](C)[NH2+]Cc2cn3ccccc3n2)cccc1[N+](=O)[O-] ZINC000159421418 432684314 /nfs/dbraw/zinc/68/43/14/432684314.db2.gz VUVWPPWFNGBJAZ-CYBMUJFWSA-N 1 1 310.357 3.402 20 5 DGBDMO C[C@@H](c1ccccc1[N+](=O)[O-])[N@@H+]1CCC[C@H]1c1cnn(C)c1 ZINC000266534250 432761412 /nfs/dbraw/zinc/76/14/12/432761412.db2.gz NBSMBVKSDQAWQU-WFASDCNBSA-N 1 1 300.362 3.226 20 5 DGBDMO C[C@@H](c1ccccc1[N+](=O)[O-])[N@H+]1CCC[C@H]1c1cnn(C)c1 ZINC000266534250 432761415 /nfs/dbraw/zinc/76/14/15/432761415.db2.gz NBSMBVKSDQAWQU-WFASDCNBSA-N 1 1 300.362 3.226 20 5 DGBDMO C[N@H+](Cc1cc(=O)oc2ccc3ccccc3c12)C[C@H]1CCOC1 ZINC000178776326 432776559 /nfs/dbraw/zinc/77/65/59/432776559.db2.gz UTZPADSMOQRELB-CQSZACIVSA-N 1 1 323.392 3.415 20 5 DGBDMO CCCN1CCC([NH2+][C@@H](C)c2cccc([N+](=O)[O-])c2C)CC1 ZINC000161619539 432789333 /nfs/dbraw/zinc/78/93/33/432789333.db2.gz IQGGXZZWZBAGLJ-AWEZNQCLSA-N 1 1 305.422 3.428 20 5 DGBDMO CCCN1CCC([NH2+][C@H](C)c2cccc([N+](=O)[O-])c2C)CC1 ZINC000161619625 432790213 /nfs/dbraw/zinc/79/02/13/432790213.db2.gz IQGGXZZWZBAGLJ-CQSZACIVSA-N 1 1 305.422 3.428 20 5 DGBDMO Cc1cnn([C@@H]2CCC[N@H+](Cc3ccc([N+](=O)[O-])cc3F)C2)c1 ZINC000267007457 432806002 /nfs/dbraw/zinc/80/60/02/432806002.db2.gz GHTCZCOGZDCIQY-OAHLLOKOSA-N 1 1 318.352 3.076 20 5 DGBDMO Cc1cnn([C@@H]2CCC[N@@H+](Cc3ccc([N+](=O)[O-])cc3F)C2)c1 ZINC000267007457 432806005 /nfs/dbraw/zinc/80/60/05/432806005.db2.gz GHTCZCOGZDCIQY-OAHLLOKOSA-N 1 1 318.352 3.076 20 5 DGBDMO CC(C)C[N@H+]1CC[C@H](CNc2ncc([N+](=O)[O-])cc2Cl)C1 ZINC000268269201 432859896 /nfs/dbraw/zinc/85/98/96/432859896.db2.gz TZDHLWKSRQWUJW-LLVKDONJSA-N 1 1 312.801 3.033 20 5 DGBDMO C[C@H]1C[N@H+](Cc2ccc(-c3cccc([N+](=O)[O-])c3)o2)[C@@H](C)CO1 ZINC000245537307 432840554 /nfs/dbraw/zinc/84/05/54/432840554.db2.gz IUWVHTSIBAIYEF-STQMWFEESA-N 1 1 316.357 3.464 20 5 DGBDMO C[C@H]1C[N@@H+](Cc2ccc(-c3cccc([N+](=O)[O-])c3)o2)[C@@H](C)CO1 ZINC000245537307 432840558 /nfs/dbraw/zinc/84/05/58/432840558.db2.gz IUWVHTSIBAIYEF-STQMWFEESA-N 1 1 316.357 3.464 20 5 DGBDMO C[C@@H]1C[C@H](c2ccccc2)[C@H](C)[N@H+]1CCn1cc([N+](=O)[O-])cn1 ZINC000296554349 432922366 /nfs/dbraw/zinc/92/23/66/432922366.db2.gz CBWXHOZJDUHJRO-KEYYUXOJSA-N 1 1 314.389 3.058 20 5 DGBDMO O=C(CC[N@H+]1CCC[C@@H]2CCC[C@H]21)Nc1ccc([N+](=O)[O-])cc1 ZINC000331518166 432946435 /nfs/dbraw/zinc/94/64/35/432946435.db2.gz FRTOJCHOCYJHBQ-XJKSGUPXSA-N 1 1 317.389 3.188 20 5 DGBDMO CCC(CC)[N@@H+](CC)Cc1cc([N+](=O)[O-])cc2c1OCOC2 ZINC000288797677 432899318 /nfs/dbraw/zinc/89/93/18/432899318.db2.gz CTUMZGIMGKWGTE-UHFFFAOYSA-N 1 1 308.378 3.472 20 5 DGBDMO CC(C)(C)[C@H]1CCC[N@H+]1CC(=O)Nc1ccccc1[N+](=O)[O-] ZINC000330615687 432920545 /nfs/dbraw/zinc/92/05/45/432920545.db2.gz CQNQANAUFXKBOT-CQSZACIVSA-N 1 1 305.378 3.044 20 5 DGBDMO C[C@H]([NH2+][C@@H](C)c1ccccc1[N+](=O)[O-])C(=O)N1CCCCCC1 ZINC000331999543 432965867 /nfs/dbraw/zinc/96/58/67/432965867.db2.gz OKQGIHCZJRMHFL-KBPBESRZSA-N 1 1 319.405 3.037 20 5 DGBDMO Cc1noc([C@H]2CC[N@H+]([C@@H](C)c3cc([N+](=O)[O-])ccc3C)C2)n1 ZINC000332080972 432971780 /nfs/dbraw/zinc/97/17/80/432971780.db2.gz KXUUVWLDBUNEOB-AAEUAGOBSA-N 1 1 316.361 3.145 20 5 DGBDMO CC(C)[N@@H+](CCO)Cc1cc(Cl)cc(Cl)c1[N+](=O)[O-] ZINC000289783289 432974745 /nfs/dbraw/zinc/97/47/45/432974745.db2.gz LFYMZTPMIZAZCB-UHFFFAOYSA-N 1 1 307.177 3.104 20 5 DGBDMO C[C@H]1CCCC[C@@H]1[N@@H+](C)Cc1nc2cc([N+](=O)[O-])ccc2[nH]1 ZINC000332159288 432978567 /nfs/dbraw/zinc/97/85/67/432978567.db2.gz KIKBSDVKIKMPEV-NHYWBVRUSA-N 1 1 302.378 3.482 20 5 DGBDMO C[N@H+](Cc1cc(Cl)cc(Cl)c1[N+](=O)[O-])[C@@H]1CCOC1 ZINC000290020249 432982699 /nfs/dbraw/zinc/98/26/99/432982699.db2.gz PHTNOGJFTFUESZ-SNVBAGLBSA-N 1 1 305.161 3.122 20 5 DGBDMO C[N@@H+](Cc1cc(Cl)cc(Cl)c1[N+](=O)[O-])[C@@H]1CCOC1 ZINC000290020249 432982702 /nfs/dbraw/zinc/98/27/02/432982702.db2.gz PHTNOGJFTFUESZ-SNVBAGLBSA-N 1 1 305.161 3.122 20 5 DGBDMO C[C@H](c1ccccc1[N+](=O)[O-])[N@@H+]1CC[C@H](n2cc(Cl)cn2)C1 ZINC000290077434 432987856 /nfs/dbraw/zinc/98/78/56/432987856.db2.gz YTLBCDUKJSCGHX-YPMHNXCESA-N 1 1 320.780 3.453 20 5 DGBDMO C[C@H](c1ccccc1[N+](=O)[O-])[N@H+]1CC[C@H](n2cc(Cl)cn2)C1 ZINC000290077434 432987861 /nfs/dbraw/zinc/98/78/61/432987861.db2.gz YTLBCDUKJSCGHX-YPMHNXCESA-N 1 1 320.780 3.453 20 5 DGBDMO CSC[C@@H]1CCC[N@H+](Cc2nc3cc([N+](=O)[O-])ccc3[nH]2)C1 ZINC000332287131 432994921 /nfs/dbraw/zinc/99/49/21/432994921.db2.gz YXXGSYLJIRCAIX-LLVKDONJSA-N 1 1 320.418 3.046 20 5 DGBDMO CSC[C@@H]1CCC[N@@H+](Cc2nc3cc([N+](=O)[O-])ccc3[nH]2)C1 ZINC000332287131 432994924 /nfs/dbraw/zinc/99/49/24/432994924.db2.gz YXXGSYLJIRCAIX-LLVKDONJSA-N 1 1 320.418 3.046 20 5 DGBDMO CC[N@@H+](CCOc1cccc([N+](=O)[O-])c1)[C@@H]1CCOC(C)(C)C1 ZINC000289377833 432951726 /nfs/dbraw/zinc/95/17/26/432951726.db2.gz BZZVJTRDXAPXCS-OAHLLOKOSA-N 1 1 322.405 3.253 20 5 DGBDMO C[C@H](CO)[N@@H+](C)Cc1ccc(-c2ccccc2[N+](=O)[O-])s1 ZINC000289404828 432955527 /nfs/dbraw/zinc/95/55/27/432955527.db2.gz GZVJWVSFHVBYPD-LLVKDONJSA-N 1 1 306.387 3.136 20 5 DGBDMO CCC[C@@H](C)[N@@H+](C)CCC(=O)Nc1ccc(OC)cc1[N+](=O)[O-] ZINC000297954309 433036245 /nfs/dbraw/zinc/03/62/45/433036245.db2.gz TVRXMFJUGLSLQT-GFCCVEGCSA-N 1 1 323.393 3.052 20 5 DGBDMO O=[N+]([O-])c1ccc2c(c1)C[N@@H+](CCOc1ccccc1F)CC2 ZINC000446714733 433086023 /nfs/dbraw/zinc/08/60/23/433086023.db2.gz MTNPMMCLKDBBHY-UHFFFAOYSA-N 1 1 316.332 3.171 20 5 DGBDMO O=[N+]([O-])c1ccc2c(c1)C[N@H+](CCOc1ccccc1F)CC2 ZINC000446714733 433086036 /nfs/dbraw/zinc/08/60/36/433086036.db2.gz MTNPMMCLKDBBHY-UHFFFAOYSA-N 1 1 316.332 3.171 20 5 DGBDMO CCC[C@@]1(CO)CCC[N@H+]1C/C=C\c1ccccc1[N+](=O)[O-] ZINC000446904455 433126506 /nfs/dbraw/zinc/12/65/06/433126506.db2.gz APPPSUPKOXIYAV-AFCDSYGPSA-N 1 1 304.390 3.235 20 5 DGBDMO Cc1c([C@H](C)[NH2+][C@@H]2C[C@@H](C)n3ccnc32)cccc1[N+](=O)[O-] ZINC000453370674 433130805 /nfs/dbraw/zinc/13/08/05/433130805.db2.gz VRNNBKBBRANBTD-SCDSUCTJSA-N 1 1 300.362 3.456 20 5 DGBDMO COc1ccc([C@@H](C)[NH2+]Cc2ccccc2[N+](=O)[O-])cc1O ZINC000290587189 433104371 /nfs/dbraw/zinc/10/43/71/433104371.db2.gz GHGHFKNUMFQCFR-LLVKDONJSA-N 1 1 302.330 3.160 20 5 DGBDMO Cc1ccc([N+](=O)[O-])c(C)c1NC(=O)N[C@@H](C)C[N@H+](C)C(C)C ZINC000350186899 433108232 /nfs/dbraw/zinc/10/82/32/433108232.db2.gz SHPRPCOMNJREAN-LBPRGKRZSA-N 1 1 322.409 3.062 20 5 DGBDMO C[C@@H]1C[C@@H]([NH2+][C@H]2CCCc3ccc([N+](=O)[O-])cc32)c2nccn21 ZINC000453349770 433111734 /nfs/dbraw/zinc/11/17/34/433111734.db2.gz LYEKKRKCLOOFDC-XFBWCDHKSA-N 1 1 312.373 3.464 20 5 DGBDMO C[C@@H](Cc1ccccc1[N+](=O)[O-])[N@H+]1CCC[C@]2(CCOC2)C1 ZINC000453355800 433119131 /nfs/dbraw/zinc/11/91/31/433119131.db2.gz IUFLEEBGWLBVED-YOEHRIQHSA-N 1 1 304.390 3.028 20 5 DGBDMO CC1(C)C[N@@H+](CCC(=O)Nc2ccccc2[N+](=O)[O-])[C@@H]1C1CC1 ZINC000290749472 433155292 /nfs/dbraw/zinc/15/52/92/433155292.db2.gz INXZIVPRWJEPPZ-MRXNPFEDSA-N 1 1 317.389 3.044 20 5 DGBDMO C[N@@H+](CC(=O)Nc1ccccc1[N+](=O)[O-])[C@H]1CCC(C)(C)C1 ZINC000361470884 433190668 /nfs/dbraw/zinc/19/06/68/433190668.db2.gz PLQQOCMHPGWAAR-LBPRGKRZSA-N 1 1 305.378 3.044 20 5 DGBDMO CN(C)CC(C)(C)[NH2+]Cc1ccc(-c2ccccc2[N+](=O)[O-])o1 ZINC000453601756 433228211 /nfs/dbraw/zinc/22/82/11/433228211.db2.gz VETXGBKWMJPHDL-UHFFFAOYSA-N 1 1 317.389 3.285 20 5 DGBDMO CO[C@H](C[N@H+]1CCC[C@@H](c2ccc([N+](=O)[O-])cc2)C1)C1CC1 ZINC000425466646 433251863 /nfs/dbraw/zinc/25/18/63/433251863.db2.gz BDOCTYBLOWPMGH-NVXWUHKLSA-N 1 1 304.390 3.199 20 5 DGBDMO O=[N+]([O-])c1cccc(C[N@H+]2CC[C@@H](n3ncc4ccccc43)C2)c1 ZINC000374733662 433269439 /nfs/dbraw/zinc/26/94/39/433269439.db2.gz GTCNUCXDVSJEPM-QGZVFWFLSA-N 1 1 322.368 3.392 20 5 DGBDMO COCC[N@@H+](Cc1ccc(OC)c([N+](=O)[O-])c1)[C@@H]1CC[C@H](C)C1 ZINC000361645392 433310664 /nfs/dbraw/zinc/31/06/64/433310664.db2.gz RRCSASNDEMGDIR-DZGCQCFKSA-N 1 1 322.405 3.240 20 5 DGBDMO CC[N@@H+](CCC1CC1)Cc1cc([N+](=O)[O-])cc2c1OCOC2 ZINC000355037577 433429255 /nfs/dbraw/zinc/42/92/55/433429255.db2.gz QKGZXWNABPPPGR-UHFFFAOYSA-N 1 1 306.362 3.083 20 5 DGBDMO CC1=CCC[N@H+](Cc2cn(C)nc2-c2ccc([N+](=O)[O-])cc2)C1 ZINC000281789916 433380777 /nfs/dbraw/zinc/38/07/77/433380777.db2.gz LHFJOHUOIPLRCO-UHFFFAOYSA-N 1 1 312.373 3.147 20 5 DGBDMO CC1(C)C[N@@H+](Cc2ccc(-c3cccc([N+](=O)[O-])c3)o2)C[C@@H]1O ZINC000448358958 433394556 /nfs/dbraw/zinc/39/45/56/433394556.db2.gz IXZQLSBAPGLFTP-INIZCTEOSA-N 1 1 316.357 3.058 20 5 DGBDMO C[C@H]1[C@H](CO)CC[N@H+]1Cc1ccc(-c2cccc([N+](=O)[O-])c2)o1 ZINC000425988657 433395030 /nfs/dbraw/zinc/39/50/30/433395030.db2.gz ORJATKFXVZPLGF-JSGCOSHPSA-N 1 1 316.357 3.058 20 5 DGBDMO CC1(C)[C@H](c2ccccc2)CC[N@H+]1CCn1ccc([N+](=O)[O-])n1 ZINC000421030103 433397349 /nfs/dbraw/zinc/39/73/49/433397349.db2.gz YHDZVXICDJIFDI-HNNXBMFYSA-N 1 1 314.389 3.059 20 5 DGBDMO CC[N@H+]1CCC[C@H]1CNc1ccc([N+](=O)[O-])c2cccnc12 ZINC000301092563 433409977 /nfs/dbraw/zinc/40/99/77/433409977.db2.gz UCFFBWPPVONDJK-LBPRGKRZSA-N 1 1 300.362 3.039 20 5 DGBDMO CC[N@H+](Cc1cc([N+](=O)[O-])ccc1C(F)(F)F)C[C@H](C)OC ZINC000339208532 433435651 /nfs/dbraw/zinc/43/56/51/433435651.db2.gz KFNXDIQNHJGPMU-JTQLQIEISA-N 1 1 320.311 3.470 20 5 DGBDMO O=[N+]([O-])c1ccccc1Nc1cccc(C[NH+]2CCOCC2)c1 ZINC000301177744 433443740 /nfs/dbraw/zinc/44/37/40/433443740.db2.gz ZSTQIKAUNGXOOE-UHFFFAOYSA-N 1 1 313.357 3.171 20 5 DGBDMO CC[N@@H+](CCC1CC1)Cc1nc(-c2cccc([N+](=O)[O-])c2)no1 ZINC000355071736 433446372 /nfs/dbraw/zinc/44/63/72/433446372.db2.gz VWKXOJHYIGRNQL-UHFFFAOYSA-N 1 1 316.361 3.267 20 5 DGBDMO C[C@@H]1CC[N@@H+](Cc2cc([N+](=O)[O-])ccc2OC(F)F)[C@@H]1C ZINC000355106406 433464940 /nfs/dbraw/zinc/46/49/40/433464940.db2.gz MZYTXFBQBBZEEP-NXEZZACHSA-N 1 1 300.305 3.427 20 5 DGBDMO CCC[N@H+]1CC[C@@H](CNc2ccc3ncccc3c2[N+](=O)[O-])C1 ZINC000301256361 433472503 /nfs/dbraw/zinc/47/25/03/433472503.db2.gz TXKJMXPVJBDLAB-ZDUSSCGKSA-N 1 1 314.389 3.287 20 5 DGBDMO O=[N+]([O-])c1ccc(NC[C@H]2CCC[N@H+]2Cc2ccccc2)nc1 ZINC000301266958 433480570 /nfs/dbraw/zinc/48/05/70/433480570.db2.gz GVNGERZQJXUOFL-OAHLLOKOSA-N 1 1 312.373 3.066 20 5 DGBDMO COCC[N@@H+](CCOc1ccccc1[N+](=O)[O-])[C@@H]1CC[C@H](C)C1 ZINC000362158944 433554440 /nfs/dbraw/zinc/55/44/40/433554440.db2.gz AZAUOMFQTGZQJM-LSDHHAIUSA-N 1 1 322.405 3.111 20 5 DGBDMO Cn1cnc([N+](=O)[O-])c1C[NH2+][C@@H](c1cccc(F)c1)C(C)(C)C ZINC000342246535 433563253 /nfs/dbraw/zinc/56/32/53/433563253.db2.gz RVVNMACXJSOQQO-AWEZNQCLSA-N 1 1 320.368 3.344 20 5 DGBDMO O=[N+]([O-])c1cnc(N[C@@H]2CC[N@@H+](CC3CCCC3)C2)c(Cl)c1 ZINC000301462423 433563288 /nfs/dbraw/zinc/56/32/88/433563288.db2.gz JLFOYBBAKLKVBN-GFCCVEGCSA-N 1 1 324.812 3.320 20 5 DGBDMO C[C@H](c1ccccc1[N+](=O)[O-])[N@@H+](C)C[C@@H](O)Cc1ccccc1 ZINC000293145314 433633648 /nfs/dbraw/zinc/63/36/48/433633648.db2.gz BHQSRYRIEMKNLK-ZBFHGGJFSA-N 1 1 314.385 3.191 20 5 DGBDMO C[C@@H]1C[C@@H](Nc2ccc([N+](=O)[O-])cn2)C[N@H+]1Cc1ccccc1 ZINC000301614658 433637823 /nfs/dbraw/zinc/63/78/23/433637823.db2.gz IHAMYHDKPYAKIM-UKRRQHHQSA-N 1 1 312.373 3.065 20 5 DGBDMO C[C@@H]1C[C@H](Nc2ccc([N+](=O)[O-])cn2)C[N@H+]1Cc1ccccc1 ZINC000301614657 433638417 /nfs/dbraw/zinc/63/84/17/433638417.db2.gz IHAMYHDKPYAKIM-HIFRSBDPSA-N 1 1 312.373 3.065 20 5 DGBDMO CCOc1cc(NC[C@H]2CCCC[N@H+]2CC)ccc1[N+](=O)[O-] ZINC000301533626 433598412 /nfs/dbraw/zinc/59/84/12/433598412.db2.gz KWWHZNXAPZWQQX-CQSZACIVSA-N 1 1 307.394 3.280 20 5 DGBDMO CCOc1cc(NC[C@@H]2CCCC[N@H+]2CC)ccc1[N+](=O)[O-] ZINC000301533624 433600335 /nfs/dbraw/zinc/60/03/35/433600335.db2.gz KWWHZNXAPZWQQX-AWEZNQCLSA-N 1 1 307.394 3.280 20 5 DGBDMO CC(C)[C@@H]1C[N@@H+](CCOc2ccccc2[N+](=O)[O-])CCS1 ZINC000362385000 433679375 /nfs/dbraw/zinc/67/93/75/433679375.db2.gz PVVMJHDJVCKJJJ-HNNXBMFYSA-N 1 1 310.419 3.047 20 5 DGBDMO CC(C)[C@H]1[N@@H+](Cc2ccc([N+](=O)[O-])cc2F)CC12CCOCC2 ZINC000414521691 433689346 /nfs/dbraw/zinc/68/93/46/433689346.db2.gz AMXOABZPFKDMJZ-MRXNPFEDSA-N 1 1 322.380 3.371 20 5 DGBDMO Cc1nn(C)cc1[C@H]1CCC[N@@H+]1Cc1ccc(C)c([N+](=O)[O-])c1 ZINC000362337350 433650338 /nfs/dbraw/zinc/65/03/38/433650338.db2.gz UTSCDKDKYSGYHR-MRXNPFEDSA-N 1 1 314.389 3.282 20 5 DGBDMO Cc1nn(C)cc1[C@H]1CCC[N@H+]1Cc1ccc(C)c([N+](=O)[O-])c1 ZINC000362337350 433650344 /nfs/dbraw/zinc/65/03/44/433650344.db2.gz UTSCDKDKYSGYHR-MRXNPFEDSA-N 1 1 314.389 3.282 20 5 DGBDMO CCOc1cc(N(C)[C@H]2CC[N@@H+](CC)[C@@H](C)C2)ccc1[N+](=O)[O-] ZINC000356780298 433693741 /nfs/dbraw/zinc/69/37/41/433693741.db2.gz ALVRDGYOPOWAIN-ZFWWWQNUSA-N 1 1 321.421 3.303 20 5 DGBDMO O=[N+]([O-])c1cc(Cl)ccc1C[N@H+]1CC[C@@H](C2CCOCC2)C1 ZINC000371062609 293197947 /nfs/dbraw/zinc/19/79/47/293197947.db2.gz CMUBSXMTVUOPFQ-CYBMUJFWSA-N 1 1 324.808 3.497 20 5 DGBDMO C[C@@H]1C[C@H](c2ccccc2)CC[N@H+]1Cc1c([N+](=O)[O-])ncn1C ZINC000374157414 293359732 /nfs/dbraw/zinc/35/97/32/293359732.db2.gz AKXVSYPCVWSGJF-UKRRQHHQSA-N 1 1 314.389 3.096 20 5 DGBDMO O=[N+]([O-])c1cc(C[N@H+]2CC[C@H]([C@H]3CCOC3)C2)ccc1Cl ZINC000374386827 293392510 /nfs/dbraw/zinc/39/25/10/293392510.db2.gz ADLSLJHZOGJAMD-STQMWFEESA-N 1 1 310.781 3.107 20 5 DGBDMO CCc1cccnc1[C@@H](C)[NH2+]Cc1ccc(OC)c([N+](=O)[O-])c1 ZINC000356830582 433717632 /nfs/dbraw/zinc/71/76/32/433717632.db2.gz AQAOZRYWEPCEQH-GFCCVEGCSA-N 1 1 315.373 3.412 20 5 DGBDMO CCc1ccc([C@@H]([NH2+]C[C@@H](O)CC)c2ccc([N+](=O)[O-])cc2)o1 ZINC000421880496 433789471 /nfs/dbraw/zinc/78/94/71/433789471.db2.gz QKZFXTPZQQYSKU-YOEHRIQHSA-N 1 1 318.373 3.200 20 5 DGBDMO CCOc1ccc([N+](=O)[O-])cc1C[N@H+]1CCC[C@H]1[C@@H]1CCCO1 ZINC000283942915 433801536 /nfs/dbraw/zinc/80/15/36/433801536.db2.gz AFQYUUPECLWHIZ-RDJZCZTQSA-N 1 1 320.389 3.137 20 5 DGBDMO C/C(=C/c1cccc([N+](=O)[O-])c1)CN(C)[C@@H]1CC[N@H+](C(C)C)C1 ZINC000449789493 433802852 /nfs/dbraw/zinc/80/28/52/433802852.db2.gz ZYSUUTZBLWKVCV-QWSHFYNQSA-N 1 1 317.433 3.413 20 5 DGBDMO O=[N+]([O-])c1ccc(OCC[N@H+]2CC=C(C(F)(F)F)CC2)cc1 ZINC000339827955 433807216 /nfs/dbraw/zinc/80/72/16/433807216.db2.gz TYEDMPRYTZPAEG-UHFFFAOYSA-N 1 1 316.279 3.168 20 5 DGBDMO O=[N+]([O-])c1ccc(OCC[N@@H+]2CC=C(C(F)(F)F)CC2)cc1 ZINC000339827955 433807225 /nfs/dbraw/zinc/80/72/25/433807225.db2.gz TYEDMPRYTZPAEG-UHFFFAOYSA-N 1 1 316.279 3.168 20 5 DGBDMO C[C@@H]1[C@H](Nc2ccc([N+](=O)[O-])c3cccnc23)CCC[N@H+]1C ZINC000343476883 433810856 /nfs/dbraw/zinc/81/08/56/433810856.db2.gz OLJBYVQUZQMJRD-DGCLKSJQSA-N 1 1 300.362 3.038 20 5 DGBDMO C[C@@H]1Oc2cc(F)ccc2[C@H]1[NH2+]Cc1cccc([N+](=O)[O-])c1 ZINC000377384021 433867313 /nfs/dbraw/zinc/86/73/13/433867313.db2.gz UDJIUMWSPBIDNN-QFYYESIMSA-N 1 1 302.305 3.346 20 5 DGBDMO C[C@@H]1Oc2cc(F)ccc2[C@H]1[NH2+]Cc1ccc([N+](=O)[O-])cc1 ZINC000377394813 433868417 /nfs/dbraw/zinc/86/84/17/433868417.db2.gz AEUIQPSUNOFJFC-QFYYESIMSA-N 1 1 302.305 3.346 20 5 DGBDMO C[C@@H]1CCCC[N@H+]1CCCNc1c2c(ccc1[N+](=O)[O-])NCC2 ZINC000302850085 433883784 /nfs/dbraw/zinc/88/37/84/433883784.db2.gz PLMNKGBWRIZCFL-CYBMUJFWSA-N 1 1 318.421 3.239 20 5 DGBDMO CCOC1CC2(C1)CC[N@@H+](Cc1cccc([N+](=O)[O-])c1C)C2 ZINC000285475191 433961901 /nfs/dbraw/zinc/96/19/01/433961901.db2.gz KZWVYCMODSFCMZ-UHFFFAOYSA-N 1 1 304.390 3.294 20 5 DGBDMO C[C@@H](C(=O)Nc1ccccc1[N+](=O)[O-])[N@H+]1CCCC(C)(C)CC1 ZINC000303893926 433972177 /nfs/dbraw/zinc/97/21/77/433972177.db2.gz KNSQEFAXYHFDPB-ZDUSSCGKSA-N 1 1 319.405 3.434 20 5 DGBDMO CC(=O)c1cc([N+](=O)[O-])ccc1NC[C@@H](c1ccco1)[NH+](C)C ZINC000285505646 433975132 /nfs/dbraw/zinc/97/51/32/433975132.db2.gz FPQYLDNDCQUQCL-HNNXBMFYSA-N 1 1 317.345 3.105 20 5 DGBDMO C[N@@H+](CCc1ccccc1[N+](=O)[O-])Cc1cccc(Cl)n1 ZINC000285412851 433937174 /nfs/dbraw/zinc/93/71/74/433937174.db2.gz UZJJUDQQYVFQGY-UHFFFAOYSA-N 1 1 305.765 3.318 20 5 DGBDMO CCOC1CC2(C1)CC[N@@H+](CCc1ccc([N+](=O)[O-])cc1)C2 ZINC000285595734 434009868 /nfs/dbraw/zinc/00/98/68/434009868.db2.gz WIKXSKRLYPIXAF-UHFFFAOYSA-N 1 1 304.390 3.028 20 5 DGBDMO C[C@@H]1Cc2c([nH+]cn2Cc2ccc([N+](=O)[O-])cc2F)C[C@@H]1C ZINC000390186579 293822310 /nfs/dbraw/zinc/82/23/10/293822310.db2.gz SHNHIHCFSZFFRS-WDEREUQCSA-N 1 1 303.337 3.350 20 5 DGBDMO CC[C@H](Cc1ccccc1)[N@@H+](CC)Cc1c([N+](=O)[O-])ncn1C ZINC000345958526 434023767 /nfs/dbraw/zinc/02/37/67/434023767.db2.gz PRRKADQLEUWPFK-OAHLLOKOSA-N 1 1 316.405 3.172 20 5 DGBDMO COc1cc(N[C@@H]2C[N@@H+](C)Cc3ccccc32)ccc1[N+](=O)[O-] ZINC000363451624 434062762 /nfs/dbraw/zinc/06/27/62/434062762.db2.gz ZTBCRINTRBQVJY-OAHLLOKOSA-N 1 1 313.357 3.202 20 5 DGBDMO CC[N@@H+](CCNc1nccc2c1cccc2[N+](=O)[O-])C(C)C ZINC000450306891 434094418 /nfs/dbraw/zinc/09/44/18/434094418.db2.gz UXAGRXWSEVJJOM-UHFFFAOYSA-N 1 1 302.378 3.285 20 5 DGBDMO Cn1ccnc1[C@H]([NH2+]C[C@H]1CC1(C)C)c1cccc([N+](=O)[O-])c1 ZINC000353405275 434114354 /nfs/dbraw/zinc/11/43/54/434114354.db2.gz RDWJWSYJQLRVLP-UKRRQHHQSA-N 1 1 314.389 3.053 20 5 DGBDMO CC(C)C[C@H](C)C[N@H+]1CC[C@@H](Nc2ccc([N+](=O)[O-])cn2)C1 ZINC000499537080 294087404 /nfs/dbraw/zinc/08/74/04/294087404.db2.gz HLJSACTVYVQROX-UONOGXRCSA-N 1 1 306.410 3.158 20 5 DGBDMO CCC(C)(C)[N@@H+](C)CC(=O)Nc1ccc([N+](=O)[O-])cc1Cl ZINC000510259865 294379012 /nfs/dbraw/zinc/37/90/12/294379012.db2.gz KQWZGIDTXSEMGU-UHFFFAOYSA-N 1 1 313.785 3.307 20 5 DGBDMO C[C@H]1C[C@H](Nc2nccc3c2cccc3[N+](=O)[O-])C[N@H+]1C1CC1 ZINC000450377149 434140085 /nfs/dbraw/zinc/14/00/85/434140085.db2.gz KOCNMBPNOVBGHJ-RYUDHWBXSA-N 1 1 312.373 3.180 20 5 DGBDMO CN(C(=O)C[N@H+]1CCCC(C)(C)CC1)c1ccc([N+](=O)[O-])cc1 ZINC000357777223 434171925 /nfs/dbraw/zinc/17/19/25/434171925.db2.gz YPBYMKLZBYLIHO-UHFFFAOYSA-N 1 1 319.405 3.070 20 5 DGBDMO N[C@@H]1CCCCC[C@H]1[NH2+]CCc1ccc(Cl)cc1[N+](=O)[O-] ZINC000423039441 434180296 /nfs/dbraw/zinc/18/02/96/434180296.db2.gz FLJUYYQRFJZIPK-ZIAGYGMSSA-N 1 1 311.813 3.040 20 5 DGBDMO [NH3+][C@@H]1CCCCC[C@H]1NCCc1ccc(Cl)cc1[N+](=O)[O-] ZINC000423039441 434180308 /nfs/dbraw/zinc/18/03/08/434180308.db2.gz FLJUYYQRFJZIPK-ZIAGYGMSSA-N 1 1 311.813 3.040 20 5 DGBDMO CC(C)c1ccc(CN[C@@H]2CC[N@H+]3CCC[C@H]3C2)cc1[N+](=O)[O-] ZINC000363924814 434188827 /nfs/dbraw/zinc/18/88/27/434188827.db2.gz SVOOSLGBIUJELK-CVEARBPZSA-N 1 1 317.433 3.435 20 5 DGBDMO CCOc1cc(N[C@@H]2CC[N@H+]3CCC[C@H]3C2)ccc1[N+](=O)[O-] ZINC000317108025 434196904 /nfs/dbraw/zinc/19/69/04/434196904.db2.gz BXXCWDJNEDQLMR-KGLIPLIRSA-N 1 1 305.378 3.032 20 5 DGBDMO C[C@@H]1CN(c2ccc(Cl)cc2[N+](=O)[O-])CC[N@H+](C2CC2)C1 ZINC000450542507 434252884 /nfs/dbraw/zinc/25/28/84/434252884.db2.gz HSALZNFSXFSBJC-NSHDSACASA-N 1 1 309.797 3.169 20 5 DGBDMO CC(C)[N@@H+](C)C[C@H](C)Nc1ccc([N+](=O)[O-])c2ncccc12 ZINC000319987242 434234169 /nfs/dbraw/zinc/23/41/69/434234169.db2.gz SPTQEKNBWPCTAT-LBPRGKRZSA-N 1 1 302.378 3.284 20 5 DGBDMO C[C@H]1CCCC[N@H+]1CCCCNc1ccc(N)cc1[N+](=O)[O-] ZINC000286345849 434239470 /nfs/dbraw/zinc/23/94/70/434239470.db2.gz KORVOBCALPQLNF-ZDUSSCGKSA-N 1 1 306.410 3.244 20 5 DGBDMO O=[N+]([O-])c1cccc(OCC[N@H+]2CCS[C@H]3CCCC[C@H]32)c1 ZINC000437524040 434279137 /nfs/dbraw/zinc/27/91/37/434279137.db2.gz DIARMBRKVPHWLW-CVEARBPZSA-N 1 1 322.430 3.334 20 5 DGBDMO CC(=O)c1cccc(C[N@@H+](C)CCc2cccc([N+](=O)[O-])c2)c1 ZINC000295260419 434280237 /nfs/dbraw/zinc/28/02/37/434280237.db2.gz GXXPSRWEMSTSTN-UHFFFAOYSA-N 1 1 312.369 3.472 20 5 DGBDMO C[C@H](N[C@@H]1CC(C)(C)c2ccc([N+](=O)[O-])cc21)[C@@H]1CCC[NH2+]C1 ZINC000423221526 434293463 /nfs/dbraw/zinc/29/34/63/434293463.db2.gz WXMDDNVRGAWLQZ-OGHNNQOOSA-N 1 1 317.433 3.295 20 5 DGBDMO CC[C@H]1CCC[N@H+]1Cc1nc(-c2cccc([N+](=O)[O-])c2)no1 ZINC000340699904 434307901 /nfs/dbraw/zinc/30/79/01/434307901.db2.gz XJVURQURWFMUSC-LBPRGKRZSA-N 1 1 302.334 3.019 20 5 DGBDMO Cc1ccc([C@@H](C)[NH2+][C@@H](CN)C2CCCCC2)cc1[N+](=O)[O-] ZINC000423266084 434322973 /nfs/dbraw/zinc/32/29/73/434322973.db2.gz RUTPLPYMAVPRNA-CJNGLKHVSA-N 1 1 305.422 3.461 20 5 DGBDMO COc1ccc2c(c1)CC[N@H+](Cc1csc([N+](=O)[O-])c1)CC2 ZINC000340754800 434342206 /nfs/dbraw/zinc/34/22/06/434342206.db2.gz HLVZORVEZCJONI-UHFFFAOYSA-N 1 1 318.398 3.266 20 5 DGBDMO O=[N+]([O-])c1ccccc1OCC[N@H+]1CC[C@@H]1Cc1ccccc1 ZINC000437831645 434347838 /nfs/dbraw/zinc/34/78/38/434347838.db2.gz CGNLIEKTKLBCEB-MRXNPFEDSA-N 1 1 312.369 3.291 20 5 DGBDMO C[NH+](C)C(C)(C)CN[C@@H]1CCCCc2ccc([N+](=O)[O-])cc21 ZINC000417300003 434351003 /nfs/dbraw/zinc/35/10/03/434351003.db2.gz OAMWIBWXJOJGEU-MRXNPFEDSA-N 1 1 305.422 3.292 20 5 DGBDMO O=[N+]([O-])c1ccc(NC[C@H]2CC[N@H+](C3CC3)C2)c2cccnc21 ZINC000390312219 434356016 /nfs/dbraw/zinc/35/60/16/434356016.db2.gz GGUDTKFPWHEUSP-GFCCVEGCSA-N 1 1 312.373 3.039 20 5 DGBDMO COc1cc(C[N@@H+]2CC(C)(C)[C@H]2C(C)C)c([N+](=O)[O-])cc1OC ZINC000353748891 434397939 /nfs/dbraw/zinc/39/79/39/434397939.db2.gz SQBDYCJNBAKLKC-MRXNPFEDSA-N 1 1 322.405 3.478 20 5 DGBDMO COc1cc(C[N@H+]2CC(C)(C)[C@H]2C(C)C)c([N+](=O)[O-])cc1OC ZINC000353748891 434397948 /nfs/dbraw/zinc/39/79/48/434397948.db2.gz SQBDYCJNBAKLKC-MRXNPFEDSA-N 1 1 322.405 3.478 20 5 DGBDMO CC[N@H+](Cc1ccc(-c2cccc([N+](=O)[O-])c2)o1)C[C@H](C)O ZINC000348717804 434460628 /nfs/dbraw/zinc/46/06/28/434460628.db2.gz VMXABCNGUYDPDU-LBPRGKRZSA-N 1 1 304.346 3.058 20 5 DGBDMO CC[N@H+](Cc1ccc(-c2cccc([N+](=O)[O-])c2)o1)C[C@@H](C)O ZINC000348717802 434461094 /nfs/dbraw/zinc/46/10/94/434461094.db2.gz VMXABCNGUYDPDU-GFCCVEGCSA-N 1 1 304.346 3.058 20 5 DGBDMO COc1ccncc1C[NH2+][C@H](C)c1ccc(C)c([N+](=O)[O-])c1 ZINC000287880777 434470395 /nfs/dbraw/zinc/47/03/95/434470395.db2.gz SUWZOPKBPDBKBE-GFCCVEGCSA-N 1 1 301.346 3.158 20 5 DGBDMO CC[N@H+]1C[C@H](C)N(C/C=C/c2ccccc2[N+](=O)[O-])C[C@H]1C ZINC000353817039 434454727 /nfs/dbraw/zinc/45/47/27/434454727.db2.gz GBRUIBYOUVSINY-MMCPSDEHSA-N 1 1 303.406 3.023 20 5 DGBDMO CC(C)c1ccc(C[N@H+]2CC[C@@H](O)C(C)(C)C2)cc1[N+](=O)[O-] ZINC000438336197 434456724 /nfs/dbraw/zinc/45/67/24/434456724.db2.gz TXMXQZCRNHMBBL-MRXNPFEDSA-N 1 1 306.406 3.311 20 5 DGBDMO C[C@H]1Cc2[nH+]cn(Cc3c(F)cc([N+](=O)[O-])cc3F)c2C[C@@H]1C ZINC000450995422 434524574 /nfs/dbraw/zinc/52/45/74/434524574.db2.gz DUSYHLWDCDTSNY-UWVGGRQHSA-N 1 1 321.327 3.489 20 5 DGBDMO CCC[N@@H+]1CCC[C@@H]1CN[C@H]1CCCc2ccc([N+](=O)[O-])cc21 ZINC000353970485 434549658 /nfs/dbraw/zinc/54/96/58/434549658.db2.gz FAFTZBQNQIKVBB-AEFFLSMTSA-N 1 1 317.433 3.436 20 5 DGBDMO CCC[N@H+]1CCC[C@@H]1CN[C@H]1CCCc2ccc([N+](=O)[O-])cc21 ZINC000353970485 434549664 /nfs/dbraw/zinc/54/96/64/434549664.db2.gz FAFTZBQNQIKVBB-AEFFLSMTSA-N 1 1 317.433 3.436 20 5 DGBDMO Cc1cnc(N2CCC[C@@H]([N@@H+]3[C@H](C)CC[C@@H]3C)C2)c([N+](=O)[O-])c1 ZINC000408241118 434554314 /nfs/dbraw/zinc/55/43/14/434554314.db2.gz SQWHBIIZNBAHQX-QLFBSQMISA-N 1 1 318.421 3.140 20 5 DGBDMO CCO[C@H]1C[C@H]([N@@H+](C)CCc2ccc([N+](=O)[O-])cc2)C1(C)C ZINC000525408839 295014419 /nfs/dbraw/zinc/01/44/19/295014419.db2.gz KWNCRKLZTRUXPC-HOTGVXAUSA-N 1 1 306.406 3.273 20 5 DGBDMO C[C@@H](C(=O)Nc1ccccc1[N+](=O)[O-])[N@@H+]1CC[C@H](C)C(C)(C)C1 ZINC000354014995 434578976 /nfs/dbraw/zinc/57/89/76/434578976.db2.gz POKJMLBMUPMQTP-STQMWFEESA-N 1 1 319.405 3.290 20 5 DGBDMO C[C@@H](C(=O)Nc1ccccc1[N+](=O)[O-])[N@H+]1CC[C@H](C)C(C)(C)C1 ZINC000354014995 434578982 /nfs/dbraw/zinc/57/89/82/434578982.db2.gz POKJMLBMUPMQTP-STQMWFEESA-N 1 1 319.405 3.290 20 5 DGBDMO COC1(C(F)(F)F)CC[NH+](Cc2ccc([N+](=O)[O-])cc2)CC1 ZINC000418087629 434582207 /nfs/dbraw/zinc/58/22/07/434582207.db2.gz CQWKBLFBAUDNAY-UHFFFAOYSA-N 1 1 318.295 3.138 20 5 DGBDMO O=[N+]([O-])c1ccc2oc(C[N@H+]3CC[C@@H](c4ccco4)C3)nc2c1 ZINC000360365089 434590745 /nfs/dbraw/zinc/59/07/45/434590745.db2.gz GDWYHAWULFOXSO-LLVKDONJSA-N 1 1 313.313 3.319 20 5 DGBDMO C[C@H](C(=O)Nc1cccc([N+](=O)[O-])c1)[N@H+]1CCCC[C@@H](C)C1 ZINC000360598138 434645617 /nfs/dbraw/zinc/64/56/17/434645617.db2.gz NZOQQCSGEYNDDJ-CHWSQXEVSA-N 1 1 305.378 3.044 20 5 DGBDMO CCOc1ccc([C@H](C)[NH2+][C@H](C)CN(CC)CC)cc1[N+](=O)[O-] ZINC000349210175 434638880 /nfs/dbraw/zinc/63/88/80/434638880.db2.gz SRJQTOSZIUSKPK-KGLIPLIRSA-N 1 1 323.437 3.374 20 5 DGBDMO CC[C@@]1(C)CC[N@@H+](Cc2cc(OC)c(OC)cc2[N+](=O)[O-])C1 ZINC000354072822 434601565 /nfs/dbraw/zinc/60/15/65/434601565.db2.gz KZBXZSWELGASTB-INIZCTEOSA-N 1 1 308.378 3.234 20 5 DGBDMO COc1cc([N+](=O)[O-])ccc1OCC[N@@H+](C)Cc1ccccc1 ZINC000418861553 434724117 /nfs/dbraw/zinc/72/41/17/434724117.db2.gz GRMQKVXXIBIARY-UHFFFAOYSA-N 1 1 316.357 3.114 20 5 DGBDMO C[N@@H+](CCC(=O)Nc1ccc([N+](=O)[O-])cc1)C1CCCCC1 ZINC000411147864 434733695 /nfs/dbraw/zinc/73/36/95/434733695.db2.gz JTQXNFKCZMXJMS-UHFFFAOYSA-N 1 1 305.378 3.188 20 5 DGBDMO COc1ccc([N+](=O)[O-])c(NC[C@H](C)[N@H+]2CCC[C@H](C)C2)c1 ZINC000360951788 434741839 /nfs/dbraw/zinc/74/18/39/434741839.db2.gz SMWYHVFHRHFOIQ-STQMWFEESA-N 1 1 307.394 3.136 20 5 DGBDMO C[C@@H]1CCC[N@@H+](CCC(=O)Nc2ccc([N+](=O)[O-])cc2)[C@@H]1C ZINC000411306477 434758236 /nfs/dbraw/zinc/75/82/36/434758236.db2.gz GEAWZQCGFUJODQ-CHWSQXEVSA-N 1 1 305.378 3.044 20 5 DGBDMO O=[N+]([O-])c1ccc(C[N@H+]2Cc3ccc(O)cc3C3(CC3)C2)cc1 ZINC000361011702 434764488 /nfs/dbraw/zinc/76/44/88/434764488.db2.gz USPSNQYWMVDGPF-UHFFFAOYSA-N 1 1 310.353 3.348 20 5 DGBDMO O=[N+]([O-])c1ccc(C[N@@H+]2Cc3ccc(O)cc3C3(CC3)C2)cc1 ZINC000361011702 434764491 /nfs/dbraw/zinc/76/44/91/434764491.db2.gz USPSNQYWMVDGPF-UHFFFAOYSA-N 1 1 310.353 3.348 20 5 DGBDMO CC[C@@H]1CC[C@@H](C)[N@H+]1CCC(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000411445371 434781149 /nfs/dbraw/zinc/78/11/49/434781149.db2.gz OSXCWWMAXMPNIA-TZMCWYRMSA-N 1 1 305.378 3.186 20 5 DGBDMO Cc1c(NC(=O)CC[N@@H+]2CC(C)(C)C[C@@H]2C)cccc1[N+](=O)[O-] ZINC000412047182 434861375 /nfs/dbraw/zinc/86/13/75/434861375.db2.gz SGEJNDQIPHZORS-LBPRGKRZSA-N 1 1 319.405 3.352 20 5 DGBDMO Cc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@@H+]1CC(C)(C)C[C@H]1C ZINC000412048939 434862272 /nfs/dbraw/zinc/86/22/72/434862272.db2.gz VNZOLEWWHPSHPM-CYBMUJFWSA-N 1 1 319.405 3.352 20 5 DGBDMO Cc1c(-c2noc(C[N@@H+]3[C@H](C)CC[C@@H]3C)n2)cccc1[N+](=O)[O-] ZINC000453264730 434844289 /nfs/dbraw/zinc/84/42/89/434844289.db2.gz VTBXTICBTGGSPI-PHIMTYICSA-N 1 1 316.361 3.326 20 5 DGBDMO C[C@@H]1CC(C)(C)C[N@H+]1Cc1nc(-c2cccc([N+](=O)[O-])c2)no1 ZINC000412018367 434854996 /nfs/dbraw/zinc/85/49/96/434854996.db2.gz BGLCQHUJROQJTC-LLVKDONJSA-N 1 1 316.361 3.265 20 5 DGBDMO C[C@H](C(=O)Nc1ccc([N+](=O)[O-])cc1)[N@H+]1CC(C)(C)C[C@@H]1C ZINC000412041445 434859737 /nfs/dbraw/zinc/85/97/37/434859737.db2.gz LIJNQRSDDUEJHY-NWDGAFQWSA-N 1 1 305.378 3.042 20 5 DGBDMO C[N@@H+](CCOc1ccc(F)cc1)CCc1ccc([N+](=O)[O-])cc1 ZINC000523701617 434958552 /nfs/dbraw/zinc/95/85/52/434958552.db2.gz KSPGDBJTPMXYSF-UHFFFAOYSA-N 1 1 318.348 3.287 20 5 DGBDMO O=[N+]([O-])c1ccc(CC[N@@H+]2CCO[C@H](c3ccccc3)C2)cc1 ZINC000524424532 434976624 /nfs/dbraw/zinc/97/66/24/434976624.db2.gz NSPHDONZIFCVAU-SFHVURJKSA-N 1 1 312.369 3.211 20 5 DGBDMO O=[N+]([O-])c1ccc(CC[N@H+]2CCO[C@H](c3ccccc3)C2)cc1 ZINC000524424532 434976627 /nfs/dbraw/zinc/97/66/27/434976627.db2.gz NSPHDONZIFCVAU-SFHVURJKSA-N 1 1 312.369 3.211 20 5 DGBDMO CC(C)[C@H]1C[N@@H+](C/C=C\c2ccccc2[N+](=O)[O-])CCCO1 ZINC000556981298 435041837 /nfs/dbraw/zinc/04/18/37/435041837.db2.gz XHUPNRGCTGSNMH-CTEOGUNLSA-N 1 1 304.390 3.355 20 5 DGBDMO CCC[N@@H+](CCn1cc([N+](=O)[O-])cn1)Cc1ccc(C)cc1 ZINC000530865811 435056495 /nfs/dbraw/zinc/05/64/95/435056495.db2.gz KTEOFHRTIWOUQG-UHFFFAOYSA-N 1 1 302.378 3.012 20 5 DGBDMO CC[N@@H+]1CCCC[C@H]1CN[C@H](C)c1cc([N+](=O)[O-])ccc1C ZINC000531714973 435112955 /nfs/dbraw/zinc/11/29/55/435112955.db2.gz IIRNEVBJPFWIBF-ZBFHGGJFSA-N 1 1 305.422 3.428 20 5 DGBDMO CC[N@H+]1CCCC[C@H]1CN[C@H](C)c1cc([N+](=O)[O-])ccc1C ZINC000531714973 435112957 /nfs/dbraw/zinc/11/29/57/435112957.db2.gz IIRNEVBJPFWIBF-ZBFHGGJFSA-N 1 1 305.422 3.428 20 5 DGBDMO CCCN1CCC([NH2+][C@@H]2CCc3c2cccc3[N+](=O)[O-])CC1 ZINC000579971648 435197567 /nfs/dbraw/zinc/19/75/67/435197567.db2.gz GKINFUYQTBJJQU-MRXNPFEDSA-N 1 1 303.406 3.046 20 5 DGBDMO COc1cccc(N[C@H]2CC[N@@H+](CC3CCCC3)C2)c1[N+](=O)[O-] ZINC000475498398 435199859 /nfs/dbraw/zinc/19/98/59/435199859.db2.gz OEJHRKIWOONEAV-AWEZNQCLSA-N 1 1 319.405 3.280 20 5 DGBDMO CC[N@@H+](CC(=O)Nc1ccc(Cl)cc1[N+](=O)[O-])C1CCC1 ZINC000532977569 435201981 /nfs/dbraw/zinc/20/19/81/435201981.db2.gz SSFDBNOTHPIQKY-UHFFFAOYSA-N 1 1 311.769 3.061 20 5 DGBDMO CCCC[N@H+](C)C[C@H](C)NC/C=C\c1ccccc1[N+](=O)[O-] ZINC000561754866 435232110 /nfs/dbraw/zinc/23/21/10/435232110.db2.gz ZHHOFGFJWVGSPZ-WWRUEGTHSA-N 1 1 305.422 3.318 20 5 DGBDMO CCCC[N@@H+](C)C[C@H](C)NC/C=C\c1ccccc1[N+](=O)[O-] ZINC000561754866 435232114 /nfs/dbraw/zinc/23/21/14/435232114.db2.gz ZHHOFGFJWVGSPZ-WWRUEGTHSA-N 1 1 305.422 3.318 20 5 DGBDMO CCCC[C@H](C)[N@@H+](C)Cc1cc([N+](=O)[O-])cc2c1OCOC2 ZINC000562059293 435251340 /nfs/dbraw/zinc/25/13/40/435251340.db2.gz YSOUFZVRMNBKKG-LBPRGKRZSA-N 1 1 308.378 3.472 20 5 DGBDMO O=[N+]([O-])c1cc(Cl)ccc1C[N@@H+]1CC[C@H](O)[C@@H]2CCCC[C@H]21 ZINC000602997468 435333452 /nfs/dbraw/zinc/33/34/52/435333452.db2.gz KUQSHNKUPAJWMA-FMKPAKJESA-N 1 1 324.808 3.374 20 5 DGBDMO O=C(CC[N@H+]1CC[C@@H]2CCCC[C@@H]21)Nc1ccccc1[N+](=O)[O-] ZINC000567790933 435355381 /nfs/dbraw/zinc/35/53/81/435355381.db2.gz BBTPHJBYOBJYTC-ZFWWWQNUSA-N 1 1 317.389 3.188 20 5 DGBDMO CCC(=O)c1ccc(N[C@H]2C[C@@H](C)[N@H+](C3CC3)C2)c([N+](=O)[O-])c1 ZINC000480043026 435362196 /nfs/dbraw/zinc/36/21/96/435362196.db2.gz JWIYLGUIBRJQKJ-YPMHNXCESA-N 1 1 317.389 3.225 20 5 DGBDMO Cc1cccc(OCC[N@H+](C)CCc2ccccc2[N+](=O)[O-])c1 ZINC000511075158 435313632 /nfs/dbraw/zinc/31/36/32/435313632.db2.gz QENYVIKWZXAVTK-UHFFFAOYSA-N 1 1 314.385 3.457 20 5 DGBDMO CCC(=O)c1ccc(N[C@H]2CCC[N@@H+](C)[C@@H]2C)c([N+](=O)[O-])c1 ZINC000480104806 435367479 /nfs/dbraw/zinc/36/74/79/435367479.db2.gz AYQNHXNBXAMXHL-YPMHNXCESA-N 1 1 305.378 3.082 20 5 DGBDMO O=[N+]([O-])c1ccccc1/C=C\C[N@H+]1CCC[C@H]1C1CCOCC1 ZINC000537466406 435444175 /nfs/dbraw/zinc/44/41/75/435444175.db2.gz CBGIOSLQBDBFSH-SVEBXFOSSA-N 1 1 316.401 3.499 20 5 DGBDMO CCc1noc(C)c1C[NH2+][C@@H]1CCc2c1cccc2[N+](=O)[O-] ZINC000568651129 435458180 /nfs/dbraw/zinc/45/81/80/435458180.db2.gz JIKLACGCKVIJKA-OAHLLOKOSA-N 1 1 301.346 3.231 20 5 DGBDMO CC1(C)C[N@@H+](CCOc2ccccc2[N+](=O)[O-])[C@@H]2CCC[C@H]21 ZINC000569108702 435504727 /nfs/dbraw/zinc/50/47/27/435504727.db2.gz PUMDCQNTDOUXAB-ZIAGYGMSSA-N 1 1 304.390 3.484 20 5 DGBDMO CC(C)C[C@H]1COCC[N@@H+]1C/C=C/c1ccccc1[N+](=O)[O-] ZINC000538731183 435517691 /nfs/dbraw/zinc/51/76/91/435517691.db2.gz KZEKRYXREOYVGS-YERXGYGTSA-N 1 1 304.390 3.355 20 5 DGBDMO CC(C)C[C@H]1COCC[N@H+]1C/C=C/c1ccccc1[N+](=O)[O-] ZINC000538731183 435517695 /nfs/dbraw/zinc/51/76/95/435517695.db2.gz KZEKRYXREOYVGS-YERXGYGTSA-N 1 1 304.390 3.355 20 5 DGBDMO CCN1CC[C@@H]([NH2+]CCCCc2ccc([N+](=O)[O-])cc2)[C@H](C)C1 ZINC000539089487 435536920 /nfs/dbraw/zinc/53/69/20/435536920.db2.gz SLRUGJHDBHQZEF-CRAIPNDOSA-N 1 1 319.449 3.237 20 5 DGBDMO CCCC[N@@H+](C)C[C@@H](C)NC(=O)Nc1ccc([N+](=O)[O-])cc1C ZINC000570366854 435613299 /nfs/dbraw/zinc/61/32/99/435613299.db2.gz ITCSQWDKFMRKFJ-CYBMUJFWSA-N 1 1 322.409 3.145 20 5 DGBDMO CCC[N@@H+](CC)C[C@H](C)N[C@H]1CCc2c1cccc2[N+](=O)[O-] ZINC000570294041 435606671 /nfs/dbraw/zinc/60/66/71/435606671.db2.gz YFOUUNOJWYOQKU-BBRMVZONSA-N 1 1 305.422 3.292 20 5 DGBDMO CCCN(CC)C[C@H](C)[NH2+][C@H]1CCc2c1cccc2[N+](=O)[O-] ZINC000570294041 435606675 /nfs/dbraw/zinc/60/66/75/435606675.db2.gz YFOUUNOJWYOQKU-BBRMVZONSA-N 1 1 305.422 3.292 20 5 DGBDMO O=[N+]([O-])c1ccc(C[N@H+]2CC[C@@H](c3ccncc3)C2)c(F)c1 ZINC000570981093 435667834 /nfs/dbraw/zinc/66/78/34/435667834.db2.gz DYJUBRWVKWDDIV-CYBMUJFWSA-N 1 1 301.321 3.118 20 5 DGBDMO CS[C@H]1CCCC[N@H+](Cc2nc3cc([N+](=O)[O-])ccc3[nH]2)C1 ZINC000548180224 435676405 /nfs/dbraw/zinc/67/64/05/435676405.db2.gz SYDVEZCTLIJFQI-LBPRGKRZSA-N 1 1 320.418 3.189 20 5 DGBDMO CS[C@H]1CCCC[N@@H+](Cc2nc3cc([N+](=O)[O-])ccc3[nH]2)C1 ZINC000548180224 435676410 /nfs/dbraw/zinc/67/64/10/435676410.db2.gz SYDVEZCTLIJFQI-LBPRGKRZSA-N 1 1 320.418 3.189 20 5 DGBDMO C[C@@H]([NH3+])C[C@@H](C)NCc1ccc(-c2ccc([N+](=O)[O-])cc2)o1 ZINC000519155157 435672158 /nfs/dbraw/zinc/67/21/58/435672158.db2.gz AICLJCRQGBNUMJ-VXGBXAGGSA-N 1 1 303.362 3.070 20 5 DGBDMO CC(C)C[C@H](CN[C@H]1CCc2c1cccc2[N+](=O)[O-])[NH+](C)C ZINC000571225185 435688043 /nfs/dbraw/zinc/68/80/43/435688043.db2.gz VSTZGLRUAQBCOI-CJNGLKHVSA-N 1 1 305.422 3.148 20 5 DGBDMO CC(C)[N@@H+](CCC(=O)Nc1ccccc1[N+](=O)[O-])CC1CC1 ZINC000519709477 435700846 /nfs/dbraw/zinc/70/08/46/435700846.db2.gz RVOKRDQAUGYNOX-UHFFFAOYSA-N 1 1 305.378 3.044 20 5 DGBDMO Cc1cccc2nc(C[NH2+][C@H]3CCc4c3cccc4[N+](=O)[O-])cn21 ZINC000571655861 435727316 /nfs/dbraw/zinc/72/73/16/435727316.db2.gz URDJVZSAIBRJPP-INIZCTEOSA-N 1 1 322.368 3.328 20 5 DGBDMO O=[N+]([O-])c1cccnc1NC[C@H]1CCC[N@H+]1CC1CCCCC1 ZINC000520243405 435729880 /nfs/dbraw/zinc/72/98/80/435729880.db2.gz BWZVSNXVIOWUNF-OAHLLOKOSA-N 1 1 318.421 3.446 20 5 DGBDMO CC1(C)C[N@@H+](Cc2nc3cc([N+](=O)[O-])ccc3[nH]2)[C@H]2CCC[C@H]21 ZINC000550063517 435791615 /nfs/dbraw/zinc/79/16/15/435791615.db2.gz NRCSGZNHMVGYAB-DOMZBBRYSA-N 1 1 314.389 3.482 20 5 DGBDMO C[C@@]1(CO)CCC[N@H+]1Cc1ccc(-c2cccc([N+](=O)[O-])c2)o1 ZINC000530443018 313370523 /nfs/dbraw/zinc/37/05/23/313370523.db2.gz KCWVUBCOEUBDTR-KRWDZBQOSA-N 1 1 316.357 3.202 20 5 DGBDMO Cc1cc([N+](=O)[O-])ccc1C[N@@H+](C)CCc1ccccc1O ZINC000541764640 314037144 /nfs/dbraw/zinc/03/71/44/314037144.db2.gz IVNUMRKGFQJRQF-UHFFFAOYSA-N 1 1 300.358 3.283 20 5 DGBDMO COc1cccc(N2CCC(C[N@@H+](C)C(C)C)CC2)c1[N+](=O)[O-] ZINC000547789833 314395701 /nfs/dbraw/zinc/39/57/01/314395701.db2.gz JFKQRKYNDWQGRG-UHFFFAOYSA-N 1 1 321.421 3.160 20 5 DGBDMO Cc1ccc([N+](=O)[O-])cc1[C@@H](C)[NH2+]Cc1ncccc1N(C)C ZINC000564259046 315165280 /nfs/dbraw/zinc/16/52/80/315165280.db2.gz LBZUHSCNTZKQQF-CYBMUJFWSA-N 1 1 314.389 3.215 20 5 DGBDMO Cc1c(C[N@H+]2CCC[C@@H]2[C@H]2CCCOC2)cccc1[N+](=O)[O-] ZINC000564326545 315169938 /nfs/dbraw/zinc/16/99/38/315169938.db2.gz JMASEQRFEIPSSS-DOTOQJQBSA-N 1 1 304.390 3.294 20 5 DGBDMO CC[C@@H](CN[C@H]1CCCc2ccc([N+](=O)[O-])cc21)[NH+]1CCCC1 ZINC000577457163 316236647 /nfs/dbraw/zinc/23/66/47/316236647.db2.gz DIFOVFVMBOFLQM-YJBOKZPZSA-N 1 1 317.433 3.436 20 5 DGBDMO CCC[N@@H+](CC)C[C@H](C)Nc1c2c(ccc1[N+](=O)[O-])NCC2 ZINC000577551420 316246797 /nfs/dbraw/zinc/24/67/97/316246797.db2.gz RIKMOTDTPSRYEO-LBPRGKRZSA-N 1 1 306.410 3.095 20 5 DGBDMO CCO[C@@H]1C[C@@H]1[NH2+][C@@H](c1ccccc1)c1cccc([N+](=O)[O-])c1 ZINC000577575869 316248652 /nfs/dbraw/zinc/24/86/52/316248652.db2.gz UDKAZSPKDRFRCN-KSZLIROESA-N 1 1 312.369 3.451 20 5 DGBDMO Cc1c([C@H](C)[NH2+]Cc2ccc(Cl)cc2[N+](=O)[O-])cnn1C ZINC000183306045 323333257 /nfs/dbraw/zinc/33/32/57/323333257.db2.gz JNQRQHSRFOXWEN-VIFPVBQESA-N 1 1 308.769 3.141 20 5 DGBDMO O=C(CC[N@@H+](C1CC1)C1CCCC1)Nc1ccc([N+](=O)[O-])cc1 ZINC000581058004 324069028 /nfs/dbraw/zinc/06/90/28/324069028.db2.gz MEILRNXJBMIAAO-UHFFFAOYSA-N 1 1 317.389 3.330 20 5 DGBDMO O=[N+]([O-])c1ccc(N[C@H]2CC[N@H+]([C@H]3C=CCCCCC3)C2)nc1 ZINC000581501638 324124183 /nfs/dbraw/zinc/12/41/83/324124183.db2.gz FPEFJKCZXOLRQP-GJZGRUSLSA-N 1 1 316.405 3.365 20 5 DGBDMO CC1(C)C[N@H+](C/C=C\c2ccccc2[N+](=O)[O-])[C@@H]1[C@@H]1CCCO1 ZINC000583294384 324336280 /nfs/dbraw/zinc/33/62/80/324336280.db2.gz GFXDPCBFVNCFAK-BGHPOGFGSA-N 1 1 316.401 3.497 20 5 DGBDMO CC1(C)C[N@@H+](C/C=C\c2ccccc2[N+](=O)[O-])[C@@H]1[C@@H]1CCCO1 ZINC000583294384 324336282 /nfs/dbraw/zinc/33/62/82/324336282.db2.gz GFXDPCBFVNCFAK-BGHPOGFGSA-N 1 1 316.401 3.497 20 5 DGBDMO O=[N+]([O-])c1ccc2c(c1)C[N@H+](CC1Cc3ccccc3C1)CC2 ZINC000584561615 337361344 /nfs/dbraw/zinc/36/13/44/337361344.db2.gz QWELPTXVDIFFRP-UHFFFAOYSA-N 1 1 308.381 3.368 20 5 DGBDMO C[C@@H](c1ccccc1)[N@H+]1CC[C@@H](Nc2ncc([N+](=O)[O-])s2)C1 ZINC000443507649 534109345 /nfs/dbraw/zinc/10/93/45/534109345.db2.gz GVOWQKPBPFEVPC-WCQYABFASA-N 1 1 318.402 3.299 20 5 DGBDMO C[C@H](C(=O)Nc1ccccc1[N+](=O)[O-])[N@H+]1CC[C@@H](C)C[C@@H](C)C1 ZINC000443640279 534298645 /nfs/dbraw/zinc/29/86/45/534298645.db2.gz IROBVKULBDRDBT-MGPQQGTHSA-N 1 1 319.405 3.290 20 5 DGBDMO Cc1ccc([N+](=O)[O-])cc1NC(=O)C[N@@H+]1CC[C@H](C)C[C@@H](C)C1 ZINC000443637837 534340021 /nfs/dbraw/zinc/34/00/21/534340021.db2.gz CEFSXULYWALEBC-QWHCGFSZSA-N 1 1 319.405 3.210 20 5 DGBDMO COC[C@H]1CC[N@@H+](Cc2cc(=O)oc3ccc4ccccc4c23)C1 ZINC000265782841 522845586 /nfs/dbraw/zinc/84/55/86/522845586.db2.gz KVFPDWWCEOVEFB-AWEZNQCLSA-N 1 1 323.392 3.415 20 5 DGBDMO O=[N+]([O-])c1ccccc1C[NH2+][C@H]1CCN[C@@H](c2ccccc2)C1 ZINC000415091704 534887375 /nfs/dbraw/zinc/88/73/75/534887375.db2.gz ZQEGZPKRYCBUFG-DLBZAZTESA-N 1 1 311.385 3.178 20 5 DGBDMO O=[N+]([O-])c1cccc(Cl)c1C[N@@H+]1CC[C@@H](O)C12CCCC2 ZINC000433028779 534885957 /nfs/dbraw/zinc/88/59/57/534885957.db2.gz DCDZXILDKKRHRU-CQSZACIVSA-N 1 1 310.781 3.128 20 5 DGBDMO CC(C)(C)[C@@H]1CC[N@@H+](Cc2nc3cc([N+](=O)[O-])ccc3[nH]2)C1 ZINC000444685895 526673268 /nfs/dbraw/zinc/67/32/68/526673268.db2.gz QGSIWPUCAGVCPL-LLVKDONJSA-N 1 1 302.378 3.339 20 5 DGBDMO CC(=O)c1ccc(NCCCC[N@H+](C)C2CC2)c([N+](=O)[O-])c1 ZINC000413349531 527316919 /nfs/dbraw/zinc/31/69/19/527316919.db2.gz SLGATJRYHHNHQI-UHFFFAOYSA-N 1 1 305.378 3.084 20 5 DGBDMO CC(C)[C@H]1CCC[N@H+]([C@@H](C)C(=O)Nc2cccc([N+](=O)[O-])c2)C1 ZINC000444754622 527778457 /nfs/dbraw/zinc/77/84/57/527778457.db2.gz UTUBBAFEAMVVDP-KBPBESRZSA-N 1 1 319.405 3.290 20 5 DGBDMO CCC[N@H+]1CC[C@H](CNc2ccc([N+](=O)[O-])c3ncccc23)C1 ZINC000413063330 528262031 /nfs/dbraw/zinc/26/20/31/528262031.db2.gz APDQFTOCUCGWKM-CYBMUJFWSA-N 1 1 314.389 3.287 20 5 DGBDMO CCOc1cc(NC[C@H]2CCCC[N@H+]2C2CC2)ccc1[N+](=O)[O-] ZINC000433810328 528328772 /nfs/dbraw/zinc/32/87/72/528328772.db2.gz ZPARZDWSGWOILM-OAHLLOKOSA-N 1 1 319.405 3.422 20 5 DGBDMO CCOc1cccc(NC[C@@H]2CCCC[N@H+]2CC)c1[N+](=O)[O-] ZINC000302134853 528673422 /nfs/dbraw/zinc/67/34/22/528673422.db2.gz ZMWWPGHUKUFJST-ZDUSSCGKSA-N 1 1 307.394 3.280 20 5 DGBDMO CCOc1cccc(NC[C@@H]2CCCC[N@H+]2C2CC2)c1[N+](=O)[O-] ZINC000433809731 528674393 /nfs/dbraw/zinc/67/43/93/528674393.db2.gz AZXYATXBFZJHAQ-AWEZNQCLSA-N 1 1 319.405 3.422 20 5 DGBDMO CC(C)[N@H+]1C[C@@H](C)[C@H](Nc2ccc([N+](=O)[O-])c3ncccc23)C1 ZINC000413184728 529092574 /nfs/dbraw/zinc/09/25/74/529092574.db2.gz KHWLQANZCKARLA-IUODEOHRSA-N 1 1 314.389 3.284 20 5 DGBDMO COc1ccc([N+](=O)[O-])cc1C[NH2+]Cc1scnc1C1CC1 ZINC000487290718 536955532 /nfs/dbraw/zinc/95/55/32/536955532.db2.gz SSUYGPITLFGPEF-UHFFFAOYSA-N 1 1 319.386 3.227 20 5 DGBDMO C[N@@H+](CCOc1ccccc1[N+](=O)[O-])CCc1ccccc1F ZINC000731670372 574554672 /nfs/dbraw/zinc/55/46/72/574554672.db2.gz JCVUGDSQIGFPOT-UHFFFAOYSA-N 1 1 318.348 3.287 20 5 DGBDMO C[C@H]1C[C@H](Nc2nc3ccc([N+](=O)[O-])cc3s2)CC[N@H+]1C ZINC000742412029 574997699 /nfs/dbraw/zinc/99/76/99/574997699.db2.gz MQOUTGXCWLRTRQ-VHSXEESVSA-N 1 1 306.391 3.099 20 5 DGBDMO C[N@@H+](Cc1ccccc1)[C@H]1CCN(c2ccc([N+](=O)[O-])cc2)C1 ZINC000742422994 574999240 /nfs/dbraw/zinc/99/92/40/574999240.db2.gz HAUGLWATQLTIAQ-SFHVURJKSA-N 1 1 311.385 3.306 20 5 DGBDMO CC[N@@H+](CCc1ccccn1)Cc1cc(F)ccc1[N+](=O)[O-] ZINC000744194330 575077946 /nfs/dbraw/zinc/07/79/46/575077946.db2.gz BIIDIHQEGUXLEE-UHFFFAOYSA-N 1 1 303.337 3.194 20 5 DGBDMO COCC[N@H+](Cc1cc(Cl)ccc1[N+](=O)[O-])CC(C)C ZINC000746654424 575466884 /nfs/dbraw/zinc/46/68/84/575466884.db2.gz IEKRCRZMULRJRV-UHFFFAOYSA-N 1 1 300.786 3.353 20 5 DGBDMO O=[N+]([O-])c1ccc(Cl)cc1C[N@@H+]1CCC[C@@H](c2cc[nH]n2)C1 ZINC000746660964 575467741 /nfs/dbraw/zinc/46/77/41/575467741.db2.gz CKOYIRCZZGSUBX-LLVKDONJSA-N 1 1 320.780 3.351 20 5 DGBDMO O=[N+]([O-])c1ccc(Cl)cc1C[N@H+]1CCC[C@@H](c2cc[nH]n2)C1 ZINC000746660964 575467742 /nfs/dbraw/zinc/46/77/42/575467742.db2.gz CKOYIRCZZGSUBX-LLVKDONJSA-N 1 1 320.780 3.351 20 5 DGBDMO CC(C)OCCC[N@@H+](C)Cc1cc(Cl)ccc1[N+](=O)[O-] ZINC000746676074 575469581 /nfs/dbraw/zinc/46/95/81/575469581.db2.gz ZOFHHXNZXHITAZ-UHFFFAOYSA-N 1 1 300.786 3.495 20 5 DGBDMO CC[N@@H+](CCc1ccccn1)Cc1ccc([N+](=O)[O-])cc1F ZINC000747839802 575545733 /nfs/dbraw/zinc/54/57/33/575545733.db2.gz LKUJMAOAKIQZBC-UHFFFAOYSA-N 1 1 303.337 3.194 20 5 DGBDMO Cc1ccc(C[N@@H+](C[C@H](O)c2cccc([N+](=O)[O-])c2)C2CC2)o1 ZINC000750039692 575699139 /nfs/dbraw/zinc/69/91/39/575699139.db2.gz IYWMYTYMOMHBJO-KRWDZBQOSA-N 1 1 316.357 3.194 20 5 DGBDMO C[C@@H]1[C@@H](C)CC[N@H+]1Cn1cc(-c2ccc([N+](=O)[O-])cc2)cn1 ZINC000751939481 575813150 /nfs/dbraw/zinc/81/31/50/575813150.db2.gz FTCVXKQYACLUHG-QWHCGFSZSA-N 1 1 300.362 3.146 20 5 DGBDMO Cc1[nH+]ccn1CCCC(=O)Nc1cc([N+](=O)[O-])c(C)cc1C ZINC000727646334 576136202 /nfs/dbraw/zinc/13/62/02/576136202.db2.gz SIFYWLNEXXILDD-UHFFFAOYSA-N 1 1 316.361 3.135 20 5 DGBDMO O=[N+]([O-])c1cccc([C@@H](O)C[N@@H+](CCC2CC2)CC2CC2)c1 ZINC000852717086 620642638 /nfs/dbraw/zinc/64/26/38/620642638.db2.gz CUMQGVMFYJFZTH-KRWDZBQOSA-N 1 1 304.390 3.140 20 5 DGBDMO CC[C@H](C)C[N@@H+](CC)Cn1cc([N+](=O)[O-])c(-c2ccccn2)n1 ZINC000853501560 620702394 /nfs/dbraw/zinc/70/23/94/620702394.db2.gz VVTYHJMRHHSTEX-ZDUSSCGKSA-N 1 1 317.393 3.179 20 5 DGBDMO COc1cc(F)c([N+](=O)[O-])c(N[C@H]2CC[N@H+](C(C)(C)C)C2)c1 ZINC000853763503 620734846 /nfs/dbraw/zinc/73/48/46/620734846.db2.gz LISATHOQWQWRIV-JTQLQIEISA-N 1 1 311.357 3.027 20 5 DGBDMO CCC[N@H+]1CCC[C@H]1CNc1cc(OC)cc(F)c1[N+](=O)[O-] ZINC000804834459 617681560 /nfs/dbraw/zinc/68/15/60/617681560.db2.gz FZUAICQQLWSAPJ-NSHDSACASA-N 1 1 311.357 3.029 20 5 DGBDMO CC[N@H+](Cc1ccccc1)Cc1ccc(O)c(OC)c1[N+](=O)[O-] ZINC000891450330 617804519 /nfs/dbraw/zinc/80/45/19/617804519.db2.gz GXTUXQRZIQXZEW-UHFFFAOYSA-N 1 1 316.357 3.331 20 5 DGBDMO CC[N@@H+](Cc1ccccc1)Cc1ccc(O)c(OC)c1[N+](=O)[O-] ZINC000891450330 617804527 /nfs/dbraw/zinc/80/45/27/617804527.db2.gz GXTUXQRZIQXZEW-UHFFFAOYSA-N 1 1 316.357 3.331 20 5 DGBDMO Cc1nn(C(C)C)c(C)c1C[NH2+]Cc1ccccc1[N+](=O)[O-] ZINC000892607191 618117761 /nfs/dbraw/zinc/11/77/61/618117761.db2.gz IZVAFTPMHXUFLT-UHFFFAOYSA-N 1 1 302.378 3.279 20 5 DGBDMO COCCOc1ccc(C[NH2+][C@H](C)c2cccc([N+](=O)[O-])c2)o1 ZINC000892621185 618120789 /nfs/dbraw/zinc/12/07/89/618120789.db2.gz IGCCBCLGTJDCRB-GFCCVEGCSA-N 1 1 320.345 3.064 20 5 DGBDMO Cc1cc(F)ncc1C[N@@H+](C)CCc1ccccc1[N+](=O)[O-] ZINC000894390354 618302860 /nfs/dbraw/zinc/30/28/60/618302860.db2.gz BVYQAXKWOVMRSK-UHFFFAOYSA-N 1 1 303.337 3.112 20 5 DGBDMO CCOc1ccc(C[N@@H+](C)CCc2cccc([N+](=O)[O-])c2)o1 ZINC000894272697 618748079 /nfs/dbraw/zinc/74/80/79/618748079.db2.gz JZNCKLQTPWYIOG-UHFFFAOYSA-N 1 1 304.346 3.261 20 5 DGBDMO O=[N+]([O-])c1cccc(Br)c1C[N@@H+]1CC[C@H](CF)C1 ZINC000895572785 618800179 /nfs/dbraw/zinc/80/01/79/618800179.db2.gz GOGHBPBXBGXNKU-SECBINFHSA-N 1 1 317.158 3.149 20 5 DGBDMO O=[N+]([O-])c1cccc(Br)c1C[N@H+]1CC[C@H](CF)C1 ZINC000895572785 618800181 /nfs/dbraw/zinc/80/01/81/618800181.db2.gz GOGHBPBXBGXNKU-SECBINFHSA-N 1 1 317.158 3.149 20 5 DGBDMO CC[C@@H]([NH2+][C@@H](C)c1cc(OC)no1)c1cccc([N+](=O)[O-])c1 ZINC000925229452 619086311 /nfs/dbraw/zinc/08/63/11/619086311.db2.gz GIAFTXCJPFTGMC-GXFFZTMASA-N 1 1 305.334 3.393 20 5 DGBDMO O=[N+]([O-])c1ccc(C[NH2+]Cc2cnn(CC3CCC3)c2)c(F)c1 ZINC000897432514 619119155 /nfs/dbraw/zinc/11/91/55/619119155.db2.gz NLXVRXDYNCCKQB-UHFFFAOYSA-N 1 1 318.352 3.020 20 5 DGBDMO O=[N+]([O-])c1ccc(C[NH2+]Cc2ccc(CCO)cc2)c(Cl)c1 ZINC000898170875 619220197 /nfs/dbraw/zinc/22/01/97/619220197.db2.gz MWYVBFQJLDGDTC-UHFFFAOYSA-N 1 1 320.776 3.073 20 5 DGBDMO C[C@@H]([NH2+]CC1(N)CC1)c1ccc(-c2ccccc2[N+](=O)[O-])s1 ZINC000902414839 619638055 /nfs/dbraw/zinc/63/80/55/619638055.db2.gz DJXTYRJEAVHOKE-LLVKDONJSA-N 1 1 317.414 3.465 20 5 DGBDMO CC1(C)C[C@H]([NH2+]Cc2csc(N)n2)c2cc([N+](=O)[O-])ccc21 ZINC000902497875 619643552 /nfs/dbraw/zinc/64/35/52/619643552.db2.gz AWFDJIRSNCIUCQ-ZDUSSCGKSA-N 1 1 318.402 3.146 20 5 DGBDMO COc1cc([C@H](C)[NH2+][C@@H](C)c2cncs2)cc([N+](=O)[O-])c1 ZINC000903305743 619756462 /nfs/dbraw/zinc/75/64/62/619756462.db2.gz OXLISYZQVQLJLZ-UWVGGRQHSA-N 1 1 307.375 3.472 20 5 DGBDMO COc1ccnc([C@H](C)[NH2+][C@H](C)c2cccc([N+](=O)[O-])c2)c1 ZINC000924798742 619924643 /nfs/dbraw/zinc/92/46/43/619924643.db2.gz PEYRAIOLIKUFTM-NEPJUHHUSA-N 1 1 301.346 3.410 20 5 DGBDMO COc1ccnc([C@@H](C)[NH2+][C@H](C)c2cccc([N+](=O)[O-])c2)c1 ZINC000924798758 619924835 /nfs/dbraw/zinc/92/48/35/619924835.db2.gz PEYRAIOLIKUFTM-VXGBXAGGSA-N 1 1 301.346 3.410 20 5 DGBDMO Cc1nn(C)c(C[NH2+][C@@H](C)c2ccc(C)c([N+](=O)[O-])c2)c1Cl ZINC000921817227 620954087 /nfs/dbraw/zinc/95/40/87/620954087.db2.gz KALKSRKZFLDBLG-JTQLQIEISA-N 1 1 322.796 3.449 20 5 DGBDMO O=[N+]([O-])c1ccc(Cl)c(C[NH2+]Cc2ccnn2C2CCC2)c1 ZINC000921833980 620957926 /nfs/dbraw/zinc/95/79/26/620957926.db2.gz CBCKZCAJIPVVPL-UHFFFAOYSA-N 1 1 320.780 3.460 20 5 DGBDMO CCc1[nH]nc(Cl)c1C[NH2+]Cc1ccc(C)c([N+](=O)[O-])c1 ZINC000922316515 621023038 /nfs/dbraw/zinc/02/30/38/621023038.db2.gz OTJUIGHKPHFFRA-UHFFFAOYSA-N 1 1 308.769 3.132 20 5 DGBDMO C[C@H]1Cc2cc(C[NH2+]Cc3csc([N+](=O)[O-])c3)ccc2O1 ZINC000922702774 621087851 /nfs/dbraw/zinc/08/78/51/621087851.db2.gz QYYUNNYZGXUJNJ-JTQLQIEISA-N 1 1 304.371 3.270 20 5 DGBDMO O=[N+]([O-])c1ccc(C[NH2+][C@H]2CCCc3cccnc32)c(F)c1 ZINC000922882535 621112835 /nfs/dbraw/zinc/11/28/35/621112835.db2.gz UIAGUIUMEFEZQA-HNNXBMFYSA-N 1 1 301.321 3.296 20 5 DGBDMO Cc1nn(C[N@@H+]2C[C@H](c3ccccc3)C[C@@H]2C)c(C)c1[N+](=O)[O-] ZINC000115512804 621116605 /nfs/dbraw/zinc/11/66/05/621116605.db2.gz BCUWTYPGKNETJA-BLLLJJGKSA-N 1 1 314.389 3.244 20 5 DGBDMO Cn1nc(C2CC2)cc1C[NH2+]Cc1cc(Cl)ccc1[N+](=O)[O-] ZINC000922948420 621136222 /nfs/dbraw/zinc/13/62/22/621136222.db2.gz RRJQZFVTUGMDKH-UHFFFAOYSA-N 1 1 320.780 3.149 20 5 DGBDMO O=[N+]([O-])c1ccc(Cl)cc1CNC[C@@H]1CC[N@H+]1C1CCCC1 ZINC000858285128 621171480 /nfs/dbraw/zinc/17/14/80/621171480.db2.gz GYPXLGSZMHHHDD-HNNXBMFYSA-N 1 1 323.824 3.355 20 5 DGBDMO O=[N+]([O-])c1ccc(Cl)cc1C[NH2+]C[C@@H]1CCN1C1CCCC1 ZINC000858285128 621171481 /nfs/dbraw/zinc/17/14/81/621171481.db2.gz GYPXLGSZMHHHDD-HNNXBMFYSA-N 1 1 323.824 3.355 20 5 DGBDMO C[N@H+]1CCCC[C@@H](CNc2nc3ccc([N+](=O)[O-])cc3s2)C1 ZINC000858715664 621215985 /nfs/dbraw/zinc/21/59/85/621215985.db2.gz RBGCHMZFNSEZAT-NSHDSACASA-N 1 1 320.418 3.348 20 5 DGBDMO CC(=O)c1cc([N+](=O)[O-])ccc1NC[C@@H]1CC[N@H+]1C1CCCC1 ZINC000858780510 621220752 /nfs/dbraw/zinc/22/07/52/621220752.db2.gz CNJWUTDTFBSGRH-HNNXBMFYSA-N 1 1 317.389 3.226 20 5 DGBDMO CCOC(=O)CC(C)(C)C[N@@H+](C)CCc1cccc([N+](=O)[O-])c1 ZINC000839076682 621323134 /nfs/dbraw/zinc/32/31/34/621323134.db2.gz ABCUVCQWMRXEFE-UHFFFAOYSA-N 1 1 322.405 3.049 20 5 DGBDMO COCCC1CC[NH+](Cc2ccc([N+](=O)[O-])c(Cl)c2)CC1 ZINC000862436680 621589227 /nfs/dbraw/zinc/58/92/27/621589227.db2.gz IIFLKGORXMIUBH-UHFFFAOYSA-N 1 1 312.797 3.497 20 5 DGBDMO Cc1c(-c2noc([C@@H]([NH3+])CCC(C)C)n2)cccc1[N+](=O)[O-] ZINC000863678428 621699091 /nfs/dbraw/zinc/69/90/91/621699091.db2.gz VBRAHSZPADOULO-LBPRGKRZSA-N 1 1 304.350 3.389 20 5 DGBDMO O=[N+]([O-])c1ccc(F)cc1C[N@@H+]1C[C@@H](O)C[C@@H]1c1ccccc1 ZINC000839632261 621702381 /nfs/dbraw/zinc/70/23/81/621702381.db2.gz FMUBWGJYLGHFQX-DOTOQJQBSA-N 1 1 316.332 3.042 20 5 DGBDMO O=[N+]([O-])c1ccc(F)cc1C[N@H+]1C[C@@H](O)C[C@@H]1c1ccccc1 ZINC000839632261 621702383 /nfs/dbraw/zinc/70/23/83/621702383.db2.gz FMUBWGJYLGHFQX-DOTOQJQBSA-N 1 1 316.332 3.042 20 5 DGBDMO CC(C)CO[C@@H]1CC[N@H+](Cc2cc(Cl)ccc2[N+](=O)[O-])C1 ZINC000119618046 621706695 /nfs/dbraw/zinc/70/66/95/621706695.db2.gz VARKNURIFRJWSH-CQSZACIVSA-N 1 1 312.797 3.495 20 5 DGBDMO CC(C)CO[C@@H]1CC[N@@H+](Cc2cc(Cl)ccc2[N+](=O)[O-])C1 ZINC000119618046 621706696 /nfs/dbraw/zinc/70/66/96/621706696.db2.gz VARKNURIFRJWSH-CQSZACIVSA-N 1 1 312.797 3.495 20 5 DGBDMO CCC[C@H]1CCC[N@@H+](Cn2nc(C)c3cc([N+](=O)[O-])cnc32)C1 ZINC000757611800 621728386 /nfs/dbraw/zinc/72/83/86/621728386.db2.gz VKYWVEMOKWIPRL-ZDUSSCGKSA-N 1 1 317.393 3.118 20 5 DGBDMO C[C@@H]1CC[N@@H+](Cn2ncc3ccc([N+](=O)[O-])cc32)CC1(C)C ZINC000759000721 621817517 /nfs/dbraw/zinc/81/75/17/621817517.db2.gz ROXZEEDBQJWGFA-GFCCVEGCSA-N 1 1 302.378 3.270 20 5 DGBDMO O=[N+]([O-])c1ccc2cnn(C[N@H+]3CC[C@H](c4ccccc4)C3)c2c1 ZINC000120264674 621822644 /nfs/dbraw/zinc/82/26/44/621822644.db2.gz YXOWBHUTCYJMHB-INIZCTEOSA-N 1 1 322.368 3.392 20 5 DGBDMO CC(C)(C)C1=CC[N@@H+](C[C@@H](O)c2cccc([N+](=O)[O-])c2)CC1 ZINC000759266736 621841224 /nfs/dbraw/zinc/84/12/24/621841224.db2.gz CPRJYOQUSYIMQE-MRXNPFEDSA-N 1 1 304.390 3.306 20 5 DGBDMO Cc1ccc(C)c(C[N@@H+](C)C[C@@H](O)c2ccc([N+](=O)[O-])cc2)c1 ZINC000759629381 621877123 /nfs/dbraw/zinc/87/71/23/621877123.db2.gz BDPGBKWLNUOORA-GOSISDBHSA-N 1 1 314.385 3.377 20 5 DGBDMO CCOc1cc(F)cc(C[NH2+]Cc2ccccc2[N+](=O)[O-])c1 ZINC000865416889 621915783 /nfs/dbraw/zinc/91/57/83/621915783.db2.gz PMAZVOXPOOTWQG-UHFFFAOYSA-N 1 1 304.321 3.422 20 5 DGBDMO O=[N+]([O-])c1ccc2[nH+]ccc(N3CCC(c4cn[nH]c4)CC3)c2c1 ZINC000865492185 621935500 /nfs/dbraw/zinc/93/55/00/621935500.db2.gz PDKRCFSSFJAXAZ-UHFFFAOYSA-N 1 1 323.356 3.250 20 5 DGBDMO O=[N+]([O-])c1ccc(N[C@@H]2CC[N@@H+](CC3CC3)C2)c(C(F)F)c1 ZINC000865527012 621943769 /nfs/dbraw/zinc/94/37/69/621943769.db2.gz AUOGPKROVZJGIF-LLVKDONJSA-N 1 1 311.332 3.429 20 5 DGBDMO Cn1cc[nH+]c1[C@H]1CCN(c2ccc([N+](=O)[O-])cc2C(F)F)C1 ZINC000865642222 621969556 /nfs/dbraw/zinc/96/95/56/621969556.db2.gz SQBBNOPVHQYGCW-JTQLQIEISA-N 1 1 322.315 3.260 20 5 DGBDMO O=[N+]([O-])c1ccccc1CC[NH2+][C@@H]1c2ccccc2OC[C@@H]1F ZINC000866274758 622083057 /nfs/dbraw/zinc/08/30/57/622083057.db2.gz SNRZUCMGAZRHCK-WMLDXEAASA-N 1 1 316.332 3.199 20 5 DGBDMO C[C@H](Cc1ccc(F)cc1[N+](=O)[O-])[NH2+][C@@H]1CCCc2c[nH]nc21 ZINC000866305286 622089662 /nfs/dbraw/zinc/08/96/62/622089662.db2.gz GCGQYUMQMKFFST-QMTHXVAHSA-N 1 1 318.352 3.055 20 5 DGBDMO Cc1[nH+]ccn1CCCOC(=O)c1ccc([N+](=O)[O-])cc1Cl ZINC000763113388 622124731 /nfs/dbraw/zinc/12/47/31/622124731.db2.gz ACFRYQVFOISJPZ-UHFFFAOYSA-N 1 1 323.736 3.000 20 5 DGBDMO C[C@@H](c1ccccc1[N+](=O)[O-])N1CC[C@@](C[NH3+])(C(C)(C)C)C1 ZINC000866705556 622158795 /nfs/dbraw/zinc/15/87/95/622158795.db2.gz CMBGDASQZFUYAM-GUYCJALGSA-N 1 1 305.422 3.353 20 5 DGBDMO Cc1cc(C)c(COC(=O)c2csc([N+](=O)[O-])c2)c(C)[nH+]1 ZINC000869356543 622346629 /nfs/dbraw/zinc/34/66/29/622346629.db2.gz ILPHXRGNUMLAES-UHFFFAOYSA-N 1 1 306.343 3.334 20 5 DGBDMO O=[N+]([O-])c1ccnn1C[N@H+]1CCC[C@@H]1CCCc1ccccc1 ZINC000767764223 622420671 /nfs/dbraw/zinc/42/06/71/622420671.db2.gz ROGUYNGAFSJERB-INIZCTEOSA-N 1 1 314.389 3.236 20 5 DGBDMO CC(C)C[N@H+](C)Cc1c(Br)cccc1[N+](=O)[O-] ZINC000768244350 622447580 /nfs/dbraw/zinc/44/75/80/622447580.db2.gz INMMLLCHHQSVIJ-UHFFFAOYSA-N 1 1 301.184 3.445 20 5 DGBDMO CC(C)C[N@@H+](C)Cc1c(Br)cccc1[N+](=O)[O-] ZINC000768244350 622447583 /nfs/dbraw/zinc/44/75/83/622447583.db2.gz INMMLLCHHQSVIJ-UHFFFAOYSA-N 1 1 301.184 3.445 20 5 DGBDMO O=[N+]([O-])c1ccc2[nH]c(C[N@H+]3CCC4(CCCC4)C3)nc2c1 ZINC000769727080 622554892 /nfs/dbraw/zinc/55/48/92/622554892.db2.gz CXNSKEADCBTVGO-UHFFFAOYSA-N 1 1 300.362 3.237 20 5 DGBDMO Cc1cc(C)cc(C[N@@H+](C)C[C@H](O)c2cccc([N+](=O)[O-])c2)c1 ZINC000769844651 622567725 /nfs/dbraw/zinc/56/77/25/622567725.db2.gz BFEUWZAGHWYJSY-SFHVURJKSA-N 1 1 314.385 3.377 20 5 DGBDMO CSc1ccc([N+](=O)[O-])cc1[C@H](C)[NH2+]C[C@@H](C1CC1)N(C)C ZINC000872025623 622759291 /nfs/dbraw/zinc/75/92/91/622759291.db2.gz QENHOPVRSHPAJT-NHYWBVRUSA-N 1 1 323.462 3.308 20 5 DGBDMO C[C@H](N[C@@H]1C[C@@H](C)[N@H+](C2CC2)C1)c1c(F)cccc1[N+](=O)[O-] ZINC000872042047 622770340 /nfs/dbraw/zinc/77/03/40/622770340.db2.gz MIJZDQNBAOUOLA-GRYCIOLGSA-N 1 1 307.369 3.010 20 5 DGBDMO C[C@H]([NH2+][C@@H]1C[C@@H](C)N(C2CC2)C1)c1c(F)cccc1[N+](=O)[O-] ZINC000872042047 622770344 /nfs/dbraw/zinc/77/03/44/622770344.db2.gz MIJZDQNBAOUOLA-GRYCIOLGSA-N 1 1 307.369 3.010 20 5 DGBDMO CSc1ccc([N+](=O)[O-])cc1[C@@H](C)[NH2+]Cc1snnc1C ZINC000872073442 622790501 /nfs/dbraw/zinc/79/05/01/622790501.db2.gz PKUBCYWSOWPUMX-MRVPVSSYSA-N 1 1 324.431 3.327 20 5 DGBDMO Cc1nccnc1[C@H](C)[NH2+][C@H]1CCCc2ccc([N+](=O)[O-])cc21 ZINC000872135086 622827725 /nfs/dbraw/zinc/82/77/25/622827725.db2.gz VCJZBYJSWZEHEW-LRDDRELGSA-N 1 1 312.373 3.421 20 5 DGBDMO Cc1nccnc1[C@@H](C)[NH2+][C@H]1CCCc2ccc([N+](=O)[O-])cc21 ZINC000872135088 622827747 /nfs/dbraw/zinc/82/77/47/622827747.db2.gz VCJZBYJSWZEHEW-WBMJQRKESA-N 1 1 312.373 3.421 20 5 DGBDMO C[N@@H+](CCC1CC1)Cn1ncc2cc([N+](=O)[O-])cc(Cl)c21 ZINC000774637768 623168549 /nfs/dbraw/zinc/16/85/49/623168549.db2.gz CYLGAYGWUDKYGG-UHFFFAOYSA-N 1 1 308.769 3.287 20 5 DGBDMO C[C@H]1C[N@@H+](Cn2ncc3cc([N+](=O)[O-])cc(Cl)c32)C[C@H]1C ZINC000774636132 623168831 /nfs/dbraw/zinc/16/88/31/623168831.db2.gz MFMRBULTPPLARL-AOOOYVTPSA-N 1 1 308.769 3.143 20 5 DGBDMO CC[N@@H+](CC1CC1)Cn1ncc2cc([N+](=O)[O-])cc(Cl)c21 ZINC000774634875 623168946 /nfs/dbraw/zinc/16/89/46/623168946.db2.gz GGBZRFWSIHKSOM-UHFFFAOYSA-N 1 1 308.769 3.287 20 5 DGBDMO CC(C)C[C@@H](CO)[N@@H+](C)Cc1ccc(Cl)c([N+](=O)[O-])c1 ZINC000775753377 623325464 /nfs/dbraw/zinc/32/54/64/623325464.db2.gz GWSIAYMGYVHCMM-LBPRGKRZSA-N 1 1 300.786 3.087 20 5 DGBDMO C[C@@H](c1ccccc1F)[N@@H+](C)C[C@@H](O)c1ccc([N+](=O)[O-])cc1 ZINC000776273777 623405428 /nfs/dbraw/zinc/40/54/28/623405428.db2.gz AJIJSNIZSJVZFQ-YVEFUNNKSA-N 1 1 318.348 3.460 20 5 DGBDMO C[N@H+](Cc1ccc(F)c(F)c1)C[C@@H](O)c1ccc([N+](=O)[O-])cc1 ZINC000776277745 623406020 /nfs/dbraw/zinc/40/60/20/623406020.db2.gz RVLZQWIEMVHTNV-MRXNPFEDSA-N 1 1 322.311 3.038 20 5 DGBDMO O=[N+]([O-])c1ccc([C@H](O)C[N@H+]2CCC[C@H]2c2ccccc2)cc1 ZINC000776277249 623406244 /nfs/dbraw/zinc/40/62/44/623406244.db2.gz QDLDEFRSRLHFDZ-ZWKOTPCHSA-N 1 1 312.369 3.465 20 5 DGBDMO C[C@@H]1c2ccccc2CC[N@@H+]1C[C@H](O)c1ccc([N+](=O)[O-])cc1 ZINC000776582673 623443123 /nfs/dbraw/zinc/44/31/23/623443123.db2.gz SVUMKWATDXOBGN-ACJLOTCBSA-N 1 1 312.369 3.248 20 5 DGBDMO C[C@@H]1C[C@@H]2CCCC[C@H]2[N@H+]1C[C@H](O)c1ccc([N+](=O)[O-])cc1 ZINC000776587484 623444234 /nfs/dbraw/zinc/44/42/34/623444234.db2.gz IBJNYTJLQMATCB-UOJCXKCYSA-N 1 1 304.390 3.281 20 5 DGBDMO CC[N@@H+]1CCCC[C@H]1C(=O)O[C@@H](C)c1cc([N+](=O)[O-])ccc1C ZINC000778808838 623698630 /nfs/dbraw/zinc/69/86/30/623698630.db2.gz UQUYVMGOXWYFIL-BBRMVZONSA-N 1 1 320.389 3.382 20 5 DGBDMO CC[N@H+]1CCCC[C@H]1C(=O)O[C@@H](C)c1cc([N+](=O)[O-])ccc1C ZINC000778808838 623698632 /nfs/dbraw/zinc/69/86/32/623698632.db2.gz UQUYVMGOXWYFIL-BBRMVZONSA-N 1 1 320.389 3.382 20 5 DGBDMO Cc1ccc([N+](=O)[O-])c(C)c1C[N@H+]1CC[C@@H]([C@@H]2CCOC2)C1 ZINC000876779650 623703673 /nfs/dbraw/zinc/70/36/73/623703673.db2.gz AWPIIHPIFDLBLG-HUUCEWRRSA-N 1 1 304.390 3.070 20 5 DGBDMO Cc1ccc([N+](=O)[O-])c(C)c1C[NH+](C)C1C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC000877516522 623919865 /nfs/dbraw/zinc/91/98/65/623919865.db2.gz BHVXKZPGTCQDCA-XYPWUTKMSA-N 1 1 317.433 3.269 20 5 DGBDMO Cc1ccc([N+](=O)[O-])c(C)c1C[NH+](C)C1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC000877516522 623919867 /nfs/dbraw/zinc/91/98/67/623919867.db2.gz BHVXKZPGTCQDCA-XYPWUTKMSA-N 1 1 317.433 3.269 20 5 DGBDMO O=[N+]([O-])c1cnn(C2CC(Nc3ccc(C4CCC4)c[nH+]3)C2)c1 ZINC000877552646 623939473 /nfs/dbraw/zinc/93/94/73/623939473.db2.gz GFRHDDJVRDDIKA-UHFFFAOYSA-N 1 1 313.361 3.269 20 5 DGBDMO Cn1ccnc1[C@@H]([NH2+]CCC1CCC1)c1cccc([N+](=O)[O-])c1 ZINC000780769049 623981322 /nfs/dbraw/zinc/98/13/22/623981322.db2.gz WQAWLTLXMOOUBX-INIZCTEOSA-N 1 1 314.389 3.198 20 5 DGBDMO CC(C)[C@H]1C[N@@H+](C)CCN1Cc1ccc(Cl)c([N+](=O)[O-])c1 ZINC000780901990 623995023 /nfs/dbraw/zinc/99/50/23/623995023.db2.gz KFWOIIARDLHTPY-OAHLLOKOSA-N 1 1 311.813 3.020 20 5 DGBDMO CCC[N@H+](Cc1nnc(-c2ccccc2[N+](=O)[O-])o1)CC1CC1 ZINC000877908426 624087395 /nfs/dbraw/zinc/08/73/95/624087395.db2.gz UYDDNXKIVRSQHJ-UHFFFAOYSA-N 1 1 316.361 3.267 20 5 DGBDMO CC[C@@H]1C[C@@H](C)C[N@H+]1Cc1nnc(-c2ccccc2[N+](=O)[O-])o1 ZINC000878155523 624191931 /nfs/dbraw/zinc/19/19/31/624191931.db2.gz CGVGESGBPVFWLV-VXGBXAGGSA-N 1 1 316.361 3.265 20 5 DGBDMO C[C@H]1C[N@H+](CCC(=O)Nc2cc([N+](=O)[O-])ccc2F)CC[C@@H]1C ZINC000129618428 625707470 /nfs/dbraw/zinc/70/74/70/625707470.db2.gz JSXCWANTGLJCAJ-RYUDHWBXSA-N 1 1 323.368 3.040 20 5 DGBDMO CCCC[N@@H+](CCC(=O)Nc1cc([N+](=O)[O-])ccc1F)C1CC1 ZINC000782478433 624255771 /nfs/dbraw/zinc/25/57/71/624255771.db2.gz OJTIOHAYEIQENY-UHFFFAOYSA-N 1 1 323.368 3.327 20 5 DGBDMO C[N@@H+](CCc1ccccc1[N+](=O)[O-])C[C@@H]1C[C@@H]2CCC[C@H]2O1 ZINC000878598316 624318771 /nfs/dbraw/zinc/31/87/71/624318771.db2.gz CHMKOSDZACUXSU-YQQAZPJKSA-N 1 1 304.390 3.027 20 5 DGBDMO O=[N+]([O-])c1ccc(C[N@H+]2CCC[C@H]3COCC[C@H]32)cc1Cl ZINC000783569966 624367648 /nfs/dbraw/zinc/36/76/48/624367648.db2.gz DLFXWBNXQDDYLE-GXTWGEPZSA-N 1 1 310.781 3.249 20 5 DGBDMO O=[N+]([O-])c1ccc(C[N@@H+]2CCOCC3(CCC3)C2)cc1Cl ZINC000783673192 624381902 /nfs/dbraw/zinc/38/19/02/624381902.db2.gz CJAZSUHERCVDOM-UHFFFAOYSA-N 1 1 310.781 3.251 20 5 DGBDMO O=[N+]([O-])c1ccc(C[N@H+]2CCOCC3(CCC3)C2)cc1Cl ZINC000783673192 624381905 /nfs/dbraw/zinc/38/19/05/624381905.db2.gz CJAZSUHERCVDOM-UHFFFAOYSA-N 1 1 310.781 3.251 20 5 DGBDMO CC(C)(C)[C@H]1CC[N@@H+](Cn2ncc3cc([N+](=O)[O-])ccc32)C1 ZINC000784037750 624426922 /nfs/dbraw/zinc/42/69/22/624426922.db2.gz ZLQHBGUBXLHQKE-ZDUSSCGKSA-N 1 1 302.378 3.270 20 5 DGBDMO O=[N+]([O-])c1cccc(C[N@@H+]2CCC[C@@H]2[C@@H](O)c2ccccc2)c1 ZINC000879242287 624459296 /nfs/dbraw/zinc/45/92/96/624459296.db2.gz YOOSHQRYPANVDM-MSOLQXFVSA-N 1 1 312.369 3.293 20 5 DGBDMO Cc1ccc(C[N@H+]2CC[C@H](O)[C@@H]3CCCC[C@H]32)cc1[N+](=O)[O-] ZINC000879417664 624539277 /nfs/dbraw/zinc/53/92/77/624539277.db2.gz FQNCFEMZUVICIL-INMHGKMJSA-N 1 1 304.390 3.029 20 5 DGBDMO COc1ccc([N+](=O)[O-])cc1CSCCn1cc[nH+]c1C ZINC000784975997 624610169 /nfs/dbraw/zinc/61/01/69/624610169.db2.gz LCLKZBSYTMZZPO-UHFFFAOYSA-N 1 1 307.375 3.042 20 5 DGBDMO C[C@H](O)[C@@H]1C[C@H](C)CC[N@H+]1Cc1cc([N+](=O)[O-])ccc1Cl ZINC000785541727 624684438 /nfs/dbraw/zinc/68/44/38/624684438.db2.gz VXNSKOFDVAMCBF-ZETOZRRWSA-N 1 1 312.797 3.230 20 5 DGBDMO Cc1csc([C@H]2CC[N@@H+](Cc3ccc(F)cc3[N+](=O)[O-])C2)n1 ZINC000880013594 624755474 /nfs/dbraw/zinc/75/54/74/624755474.db2.gz SHJWRCIISPAGDS-LBPRGKRZSA-N 1 1 321.377 3.488 20 5 DGBDMO C[C@@H](c1cccc([N+](=O)[O-])c1)[N@@H+]1CCO[C@@H](C(F)(F)F)CC1 ZINC000880042986 624764324 /nfs/dbraw/zinc/76/43/24/624764324.db2.gz BHGHPJROYWJXOB-GXFFZTMASA-N 1 1 318.295 3.309 20 5 DGBDMO C[C@@H](c1cccc([N+](=O)[O-])c1)[N@H+]1CCO[C@@H](C(F)(F)F)CC1 ZINC000880042986 624764325 /nfs/dbraw/zinc/76/43/25/624764325.db2.gz BHGHPJROYWJXOB-GXFFZTMASA-N 1 1 318.295 3.309 20 5 DGBDMO COC(=O)[C@]12CCC[C@H]1[N@H+]([C@@H](C)c1ccccc1[N+](=O)[O-])CC2 ZINC000880181233 624824352 /nfs/dbraw/zinc/82/43/52/624824352.db2.gz SFGBVMROPTZRDQ-MJEQTWJJSA-N 1 1 318.373 3.073 20 5 DGBDMO CO[C@@]1(C(F)(F)F)CC[N@@H+]([C@@H](C)c2cccc([N+](=O)[O-])c2)C1 ZINC000880301850 624902616 /nfs/dbraw/zinc/90/26/16/624902616.db2.gz AEDXGZDCKIJSNG-GWCFXTLKSA-N 1 1 318.295 3.309 20 5 DGBDMO CO[C@@]1(C(F)(F)F)CC[N@H+]([C@@H](C)c2cccc([N+](=O)[O-])c2)C1 ZINC000880301850 624902620 /nfs/dbraw/zinc/90/26/20/624902620.db2.gz AEDXGZDCKIJSNG-GWCFXTLKSA-N 1 1 318.295 3.309 20 5 DGBDMO C[C@H]1CCC[N@@H+]1CCN[C@@H]1CC(C)(C)c2ccc([N+](=O)[O-])cc21 ZINC000788584248 625219757 /nfs/dbraw/zinc/21/97/57/625219757.db2.gz IGFKWCBHFVYCMG-SUMWQHHRSA-N 1 1 317.433 3.391 20 5 DGBDMO C[C@H]1CCC[N@H+]1CCN[C@@H]1CC(C)(C)c2ccc([N+](=O)[O-])cc21 ZINC000788584248 625219764 /nfs/dbraw/zinc/21/97/64/625219764.db2.gz IGFKWCBHFVYCMG-SUMWQHHRSA-N 1 1 317.433 3.391 20 5 DGBDMO C[C@@H](N[C@H](CC[NH+](C)C)C(C)(C)C)c1ccc(N)c([N+](=O)[O-])c1 ZINC000788613560 625229881 /nfs/dbraw/zinc/22/98/81/625229881.db2.gz YEIIFHQWIWMTEN-MLGOLLRUSA-N 1 1 322.453 3.194 20 5 DGBDMO C[C@@H]([NH2+][C@H](CCN(C)C)C(C)(C)C)c1ccc(N)c([N+](=O)[O-])c1 ZINC000788613560 625229884 /nfs/dbraw/zinc/22/98/84/625229884.db2.gz YEIIFHQWIWMTEN-MLGOLLRUSA-N 1 1 322.453 3.194 20 5 DGBDMO O=[N+]([O-])c1ccccc1C[NH2+][C@H]1CCc2ccc(Cl)nc21 ZINC000788652981 625235654 /nfs/dbraw/zinc/23/56/54/625235654.db2.gz UQNSSZAOZRBDOR-LBPRGKRZSA-N 1 1 303.749 3.420 20 5 DGBDMO CCC[N@@H+](C)C[C@@H]1CCN(c2cc(Cl)ccc2[N+](=O)[O-])C1 ZINC000791414643 625795894 /nfs/dbraw/zinc/79/58/94/625795894.db2.gz XTECMYXARWPBES-LBPRGKRZSA-N 1 1 311.813 3.416 20 5 DGBDMO CC(C)c1cnc(C[N@H+](C)CCc2ccccc2[N+](=O)[O-])o1 ZINC000796110378 626022953 /nfs/dbraw/zinc/02/29/53/626022953.db2.gz CMLQYJBWOWRTLJ-UHFFFAOYSA-N 1 1 303.362 3.381 20 5 DGBDMO CC(C)c1cnc(C[N@@H+](C)CCc2ccccc2[N+](=O)[O-])o1 ZINC000796110378 626022955 /nfs/dbraw/zinc/02/29/55/626022955.db2.gz CMLQYJBWOWRTLJ-UHFFFAOYSA-N 1 1 303.362 3.381 20 5 DGBDMO C[C@@H](CO)[N@H+](Cc1ccc(Cl)c([N+](=O)[O-])c1)CC1CCC1 ZINC000796545244 626061294 /nfs/dbraw/zinc/06/12/94/626061294.db2.gz GYTKKNNKABCOCG-NSHDSACASA-N 1 1 312.797 3.231 20 5 DGBDMO O=[N+]([O-])c1ccc([C@@H](O)C[N@@H+](CC2CC2)CC2CCC2)cc1 ZINC000796579195 626063590 /nfs/dbraw/zinc/06/35/90/626063590.db2.gz DRVOCEXGFDUAFR-KRWDZBQOSA-N 1 1 304.390 3.140 20 5 DGBDMO Nc1ccc([N+](=O)[O-])c(NC[C@H]2CCC[N@H+]2C2CCCCC2)c1 ZINC000800871422 626381232 /nfs/dbraw/zinc/38/12/32/626381232.db2.gz UYNMJZQAOCQJSU-OAHLLOKOSA-N 1 1 318.421 3.386 20 5 DGBDMO O=[N+]([O-])c1ccc(C[N@@H+]2CCC[C@@H]2c2ccccn2)cc1F ZINC000801522200 626407402 /nfs/dbraw/zinc/40/74/02/626407402.db2.gz ZHQWSKPIRIUPEA-MRXNPFEDSA-N 1 1 301.321 3.466 20 5 DGBDMO O=[N+]([O-])c1ccc(C[N@H+]2CCC[C@@H]2c2ccccn2)cc1F ZINC000801522200 626407403 /nfs/dbraw/zinc/40/74/03/626407403.db2.gz ZHQWSKPIRIUPEA-MRXNPFEDSA-N 1 1 301.321 3.466 20 5 DGBDMO CC(C)n1cc([C@H](C)[NH2+]Cc2ccc([N+](=O)[O-])c(F)c2)cn1 ZINC000801539966 626408985 /nfs/dbraw/zinc/40/89/85/626408985.db2.gz RURARIPXSVLNOW-NSHDSACASA-N 1 1 306.341 3.362 20 5 DGBDMO C[N@@H+](CCCNc1ccc(N)cc1[N+](=O)[O-])C1CCCCC1 ZINC000804341799 626671272 /nfs/dbraw/zinc/67/12/72/626671272.db2.gz KYVRFTIROMALKH-UHFFFAOYSA-N 1 1 306.410 3.244 20 5 DGBDMO CC(=O)c1cc([N+](=O)[O-])ccc1NCC[N@@H+]1CCCC[C@H]1C ZINC000804352985 626673002 /nfs/dbraw/zinc/67/30/02/626673002.db2.gz UGZOTQVOXZJSSR-GFCCVEGCSA-N 1 1 305.378 3.084 20 5 DGBDMO C[C@@H]1CCC[C@H](C)[N@@H+]1CCNc1c([N+](=O)[O-])cccc1[N+](=O)[O-] ZINC000804442793 626680239 /nfs/dbraw/zinc/68/02/39/626680239.db2.gz NUKHTPKIOCBTKR-TXEJJXNPSA-N 1 1 322.365 3.178 20 5 DGBDMO CCCC[N@@H+](C)C[C@H](C)NC(=S)Nc1ccc([N+](=O)[O-])cc1 ZINC000809168559 626890016 /nfs/dbraw/zinc/89/00/16/626890016.db2.gz WTQLXVXUDYNNRN-LBPRGKRZSA-N 1 1 324.450 3.002 20 5 DGBDMO CC(C)[N@H+]1CC[C@H](CNCc2ccc([N+](=O)[O-])c(Cl)c2)C1 ZINC000809735975 626943602 /nfs/dbraw/zinc/94/36/02/626943602.db2.gz YOUJEGUZQVSRGJ-CYBMUJFWSA-N 1 1 311.813 3.068 20 5 DGBDMO C[N@H+]1CC[C@H]2[C@H](CCCN2Cc2ccc([N+](=O)[O-])c(Cl)c2)C1 ZINC000809767511 626949296 /nfs/dbraw/zinc/94/92/96/626949296.db2.gz NDUYGPDBLGRYNB-HIFRSBDPSA-N 1 1 323.824 3.164 20 5 DGBDMO Cc1ccc(OC(=O)[C@@]2(F)CC[N@H+](C(C)(C)C)C2)c([N+](=O)[O-])c1 ZINC000810534150 627013038 /nfs/dbraw/zinc/01/30/38/627013038.db2.gz HYTPDINHIUCVOC-MRXNPFEDSA-N 1 1 324.352 3.021 20 5 DGBDMO COCC[N@H+](Cc1cccnc1[N+](=O)[O-])[C@@H](C)c1ccccc1 ZINC000885970636 627073791 /nfs/dbraw/zinc/07/37/91/627073791.db2.gz FYYALTCUUFNERY-AWEZNQCLSA-N 1 1 315.373 3.199 20 5 DGBDMO COCC[N@@H+](Cc1cccnc1[N+](=O)[O-])[C@@H](C)c1ccccc1 ZINC000885970636 627073795 /nfs/dbraw/zinc/07/37/95/627073795.db2.gz FYYALTCUUFNERY-AWEZNQCLSA-N 1 1 315.373 3.199 20 5 DGBDMO CCC[N@@H+](Cc1cccnc1[N+](=O)[O-])[C@@H]1[C@H]2CCO[C@H]2C1(C)C ZINC000886018559 627085752 /nfs/dbraw/zinc/08/57/52/627085752.db2.gz CFBQWSOSZSUNPD-RBSFLKMASA-N 1 1 319.405 3.015 20 5 DGBDMO C[C@]12CC[N@@H+](Cc3cccnc3[N+](=O)[O-])C[C@H]1C2(Cl)Cl ZINC000886194042 627119973 /nfs/dbraw/zinc/11/99/73/627119973.db2.gz HSXVQQJWIQCROE-PWSUYJOCSA-N 1 1 316.188 3.006 20 5 DGBDMO COc1cccc(C2([NH2+]Cc3cccnc3[N+](=O)[O-])CCC2)c1 ZINC000886285831 627131186 /nfs/dbraw/zinc/13/11/86/627131186.db2.gz SZZZMJUWKULESQ-UHFFFAOYSA-N 1 1 313.357 3.167 20 5 DGBDMO O=[N+]([O-])c1ncccc1C[N@H+]1CCCC[C@@H](C2CCOCC2)C1 ZINC000886320055 627136542 /nfs/dbraw/zinc/13/65/42/627136542.db2.gz ZEBCAHMUBPXPEV-OAHLLOKOSA-N 1 1 319.405 3.019 20 5 DGBDMO CC(C)OC(=O)C1CC[NH+]([C@H](C)c2cccc([N+](=O)[O-])c2)CC1 ZINC000886721899 627197403 /nfs/dbraw/zinc/19/74/03/627197403.db2.gz NZXLYZSLDCUYDU-CYBMUJFWSA-N 1 1 320.389 3.319 20 5 DGBDMO CCC[N@@H+](CC)C[C@@H](C)NCc1ccc([N+](=O)[O-])c(Cl)c1 ZINC000811520249 627287382 /nfs/dbraw/zinc/28/73/82/627287382.db2.gz MLZWRABNWLZOOL-GFCCVEGCSA-N 1 1 313.829 3.458 20 5 DGBDMO Cc1cc(F)cc(C(=O)OCC[C@H]2CCCC[N@@H+]2C)c1[N+](=O)[O-] ZINC000840269758 627424788 /nfs/dbraw/zinc/42/47/88/627424788.db2.gz PBQLJIBYTRNUOL-CYBMUJFWSA-N 1 1 324.352 3.074 20 5 DGBDMO C[N@@H+](CCCCNc1nc2ccc([N+](=O)[O-])cc2s1)C1CC1 ZINC000840316377 627555045 /nfs/dbraw/zinc/55/50/45/627555045.db2.gz OCXYRLLJJXEJBU-UHFFFAOYSA-N 1 1 320.418 3.491 20 5 DGBDMO C[N@H+]1CCC[C@]2(CCN(c3cc(Cl)ccc3[N+](=O)[O-])C2)C1 ZINC000814909832 627606314 /nfs/dbraw/zinc/60/63/14/627606314.db2.gz OCFLVISTQRCZSB-HNNXBMFYSA-N 1 1 309.797 3.170 20 5 DGBDMO Cc1c(C[NH2+][C@@H](C)c2cn3c(n2)CCCC3)cccc1[N+](=O)[O-] ZINC000926267868 627872389 /nfs/dbraw/zinc/87/23/89/627872389.db2.gz BCRJQHYBWZBSES-ZDUSSCGKSA-N 1 1 314.389 3.287 20 5 DGBDMO C[C@@H](N[C@H]1CCC[N@@H+]2CCCC[C@H]12)c1ccccc1[N+](=O)[O-] ZINC000926835715 627962430 /nfs/dbraw/zinc/96/24/30/627962430.db2.gz KHYIOSPHMZUKJH-UKPHBRMFSA-N 1 1 303.406 3.262 20 5 DGBDMO C[C@@H](N[C@H]1CCC[N@H+]2CCCC[C@H]12)c1ccccc1[N+](=O)[O-] ZINC000926835715 627962436 /nfs/dbraw/zinc/96/24/36/627962436.db2.gz KHYIOSPHMZUKJH-UKPHBRMFSA-N 1 1 303.406 3.262 20 5 DGBDMO C[C@@H](c1ccccc1[N+](=O)[O-])[N@@H+](C)C[C@@](C)(O)c1ccccc1 ZINC000823591737 628578036 /nfs/dbraw/zinc/57/80/36/628578036.db2.gz MZSZHURAWQWKLO-KBXCAEBGSA-N 1 1 314.385 3.495 20 5 DGBDMO C[N@@H+](Cc1cc(F)ccc1[N+](=O)[O-])C[C@@](C)(O)c1ccccc1 ZINC000823590442 628578066 /nfs/dbraw/zinc/57/80/66/628578066.db2.gz DDDDJTXHNMHUHU-QGZVFWFLSA-N 1 1 318.348 3.073 20 5 DGBDMO C[C@@H]1CN(Cc2cc([N+](=O)[O-])ccc2Cl)CC[N@H+](C2CC2)C1 ZINC000824446482 628661327 /nfs/dbraw/zinc/66/13/27/628661327.db2.gz XTBBXXIOYNQUOY-GFCCVEGCSA-N 1 1 323.824 3.164 20 5 DGBDMO C[C@@H]1CN(Cc2ccc(Cl)c([N+](=O)[O-])c2)CC[N@H+](C2CC2)C1 ZINC000824445710 628661565 /nfs/dbraw/zinc/66/15/65/628661565.db2.gz LEAKCAKTMSOEPH-GFCCVEGCSA-N 1 1 323.824 3.164 20 5 DGBDMO CC(C)(C)[N@@H+]1CC[C@H]1CNCc1ccc([N+](=O)[O-])c(Cl)c1 ZINC000826790580 628887543 /nfs/dbraw/zinc/88/75/43/628887543.db2.gz KKMVBXWMTDRMEL-LBPRGKRZSA-N 1 1 311.813 3.211 20 5 DGBDMO CC(C)(C)[N@H+]1CC[C@H]1CNCc1ccc([N+](=O)[O-])c(Cl)c1 ZINC000826790580 628887545 /nfs/dbraw/zinc/88/75/45/628887545.db2.gz KKMVBXWMTDRMEL-LBPRGKRZSA-N 1 1 311.813 3.211 20 5 DGBDMO CC(C)(C)[N@H+]1CC[C@H](NCc2ccc([N+](=O)[O-])c(Cl)c2)C1 ZINC000826868029 628897461 /nfs/dbraw/zinc/89/74/61/628897461.db2.gz OOXCNGNUAIRADE-LBPRGKRZSA-N 1 1 311.813 3.211 20 5 DGBDMO CC(C)(C)N1CC[C@H]([NH2+]Cc2ccc([N+](=O)[O-])c(Cl)c2)C1 ZINC000826868029 628897465 /nfs/dbraw/zinc/89/74/65/628897465.db2.gz OOXCNGNUAIRADE-LBPRGKRZSA-N 1 1 311.813 3.211 20 5 DGBDMO C[N@H+](CCc1cccc2ccccc21)Cn1cc([N+](=O)[O-])cn1 ZINC000101537819 629732036 /nfs/dbraw/zinc/73/20/36/629732036.db2.gz BYOQZZIRORKPMV-UHFFFAOYSA-N 1 1 310.357 3.077 20 5 DGBDMO C[N@@H+](CCc1cccc2ccccc21)Cn1cc([N+](=O)[O-])cn1 ZINC000101537819 629732039 /nfs/dbraw/zinc/73/20/39/629732039.db2.gz BYOQZZIRORKPMV-UHFFFAOYSA-N 1 1 310.357 3.077 20 5 DGBDMO CCC[C@H]([NH2+][C@@H]1CCn2ccnc21)c1cccc([N+](=O)[O-])c1 ZINC000834835214 629787925 /nfs/dbraw/zinc/78/79/25/629787925.db2.gz GYDSEWOLBGJVTC-LSDHHAIUSA-N 1 1 300.362 3.367 20 5 DGBDMO CC(C)[N@H+]1CCCC[C@H]1COC(=O)c1ccccc1[N+](=O)[O-] ZINC000837335714 630242619 /nfs/dbraw/zinc/24/26/19/630242619.db2.gz UCSPFBMHHGOLCP-ZDUSSCGKSA-N 1 1 306.362 3.015 20 5 DGBDMO C[C@H]1C[C@H](CN(C)Cc2cc([N+](=O)[O-])ccc2Cl)CC[NH2+]1 ZINC000841004687 630394438 /nfs/dbraw/zinc/39/44/38/630394438.db2.gz XCUPITPEQFECIZ-NWDGAFQWSA-N 1 1 311.813 3.068 20 5 DGBDMO NC[C@H]([NH2+]Cc1ccc([N+](=O)[O-])c(Cl)c1)C1CCCCC1 ZINC000841039466 630400724 /nfs/dbraw/zinc/40/07/24/630400724.db2.gz QCGQIMCENNAQNV-AWEZNQCLSA-N 1 1 311.813 3.245 20 5 DGBDMO CN(C)C1(C[NH2+]Cc2cc(Cl)cc(Cl)c2[N+](=O)[O-])CC1 ZINC000841889490 630473723 /nfs/dbraw/zinc/47/37/23/630473723.db2.gz ARKSISHREHRQJN-UHFFFAOYSA-N 1 1 318.204 3.085 20 5 DGBDMO O=[N+]([O-])c1ccc(Cl)cc1CN1CCC[C@@H]([C@@H]2CC[NH2+]C2)C1 ZINC000843125601 630616392 /nfs/dbraw/zinc/61/63/92/630616392.db2.gz YNTZGUWENLZJOP-CHWSQXEVSA-N 1 1 323.824 3.070 20 5 DGBDMO COC(=O)c1ccc([N+](=O)[O-])c(C[N@H+]2C[C@@H](C)CC2(C)C)c1 ZINC000844300040 630716830 /nfs/dbraw/zinc/71/68/30/630716830.db2.gz IZCFLXVGWAGERW-NSHDSACASA-N 1 1 306.362 3.002 20 5 DGBDMO O=[N+]([O-])c1ccc(OCC[N@H+]2CCC[C@]3(CC3(F)F)C2)cc1 ZINC000844435543 630729093 /nfs/dbraw/zinc/72/90/93/630729093.db2.gz FCHDDAMFWIUTEC-AWEZNQCLSA-N 1 1 312.316 3.095 20 5 DGBDMO O=[N+]([O-])c1ccc(C[N@@H+]2CCC[C@]3(CC3(F)F)C2)c(F)c1 ZINC000844436991 630729294 /nfs/dbraw/zinc/72/92/94/630729294.db2.gz KGSVPJBUXLQKFA-ZDUSSCGKSA-N 1 1 300.280 3.355 20 5 DGBDMO O=[N+]([O-])c1ccc(C[N@H+]2CCC[C@]3(CC3(F)F)C2)c(F)c1 ZINC000844436991 630729295 /nfs/dbraw/zinc/72/92/95/630729295.db2.gz KGSVPJBUXLQKFA-ZDUSSCGKSA-N 1 1 300.280 3.355 20 5 DGBDMO Cc1ccnc([C@H]2CC[N@@H+](Cc3ccc([N+](=O)[O-])c(F)c3)C2)c1 ZINC000846966356 631368203 /nfs/dbraw/zinc/36/82/03/631368203.db2.gz AEOQNGGWLBEAFV-AWEZNQCLSA-N 1 1 315.348 3.427 20 5 DGBDMO C[C@@H]1CCC[N@@H+](Cn2cc(-c3ccccc3[N+](=O)[O-])cn2)C1 ZINC000848473951 631666391 /nfs/dbraw/zinc/66/63/91/631666391.db2.gz RXJBBBXFQHHSSK-CYBMUJFWSA-N 1 1 300.362 3.148 20 5 DGBDMO CCCn1nccc1C[NH2+]Cc1cc([N+](=O)[O-])ccc1Cl ZINC000850184623 632075206 /nfs/dbraw/zinc/07/52/06/632075206.db2.gz RZOHIWHBOZHLNC-UHFFFAOYSA-N 1 1 308.769 3.145 20 5 DGBDMO CC(C)(C)[N@H+]1CC[C@H](NCc2cc([N+](=O)[O-])ccc2Cl)C1 ZINC000850351732 632121913 /nfs/dbraw/zinc/12/19/13/632121913.db2.gz RZAXMQQNTBCPDX-LBPRGKRZSA-N 1 1 311.813 3.211 20 5 DGBDMO Cn1ncc(C2CC2)c1C[NH2+]Cc1cc(Cl)ccc1[N+](=O)[O-] ZINC000850380364 632133036 /nfs/dbraw/zinc/13/30/36/632133036.db2.gz SLQPKVOXLNEVCG-UHFFFAOYSA-N 1 1 320.780 3.149 20 5 DGBDMO C[C@H](O)[C@@H]([NH2+]Cc1cc([N+](=O)[O-])ccc1Cl)c1ccccc1 ZINC000850420906 632147608 /nfs/dbraw/zinc/14/76/08/632147608.db2.gz TUHQKBXDXVSSGH-MEDUHNTESA-N 1 1 320.776 3.460 20 5 DGBDMO O=[N+]([O-])c1cc(F)ccc1C[N@H+]1CC[C@@H](c2ccccn2)C1 ZINC000852009376 632538028 /nfs/dbraw/zinc/53/80/28/632538028.db2.gz IEWPODVWAQGMOM-GFCCVEGCSA-N 1 1 301.321 3.118 20 5 DGBDMO Cc1noc(C[N@H+]2C[C@@H](C)C[C@H]2c2ccccc2)c1[N+](=O)[O-] ZINC000852047326 632544475 /nfs/dbraw/zinc/54/44/75/632544475.db2.gz ZQLAVZZCVCLBTK-FZMZJTMJSA-N 1 1 301.346 3.474 20 5 DGBDMO O=[N+]([O-])c1ccc(Cl)cc1C[N@@H+](C1CC1)C1(CO)CCC1 ZINC000852158073 632564912 /nfs/dbraw/zinc/56/49/12/632564912.db2.gz ARQARMGBVIEWFL-UHFFFAOYSA-N 1 1 310.781 3.128 20 5 DGBDMO O=[N+]([O-])c1ccc([C@H](O)C[N@H+]2CCC=C(c3ccccc3)C2)cc1 ZINC000792934168 660995175 /nfs/dbraw/zinc/99/51/75/660995175.db2.gz SXFMXMBEWKVBJS-LJQANCHMSA-N 1 1 324.380 3.418 20 5 DGBDMO C[C@@H](C1CC1)[N@@H+](Cc1ccccc1)Cn1nccc1[N+](=O)[O-] ZINC000123709700 656182814 /nfs/dbraw/zinc/18/28/14/656182814.db2.gz LPGCDAYCTLOEHZ-ZDUSSCGKSA-N 1 1 300.362 3.050 20 5 DGBDMO C[C@@H](C1CC1)[N@H+](Cc1ccccc1)Cn1nccc1[N+](=O)[O-] ZINC000123709700 656182815 /nfs/dbraw/zinc/18/28/15/656182815.db2.gz LPGCDAYCTLOEHZ-ZDUSSCGKSA-N 1 1 300.362 3.050 20 5 DGBDMO O=[N+]([O-])c1ccnn1C[N@@H+]1CCC[C@H](c2ccccc2)CC1 ZINC000171045763 659256075 /nfs/dbraw/zinc/25/60/75/659256075.db2.gz OSXIGOBOLHSWKK-HNNXBMFYSA-N 1 1 300.362 3.019 20 5 DGBDMO O=[N+]([O-])c1ccnn1C[N@H+]1CCC[C@H](c2ccccc2)CC1 ZINC000171045763 659256077 /nfs/dbraw/zinc/25/60/77/659256077.db2.gz OSXIGOBOLHSWKK-HNNXBMFYSA-N 1 1 300.362 3.019 20 5 DGBDMO CC[C@@H](O)[C@@H]1CCCC[N@H+]1Cc1cc([N+](=O)[O-])ccc1Cl ZINC000172180320 659323154 /nfs/dbraw/zinc/32/31/54/659323154.db2.gz VKKBWRCGBPKTRB-LSDHHAIUSA-N 1 1 312.797 3.374 20 5 DGBDMO Cc1cccc([C@@H]2CCC[N@@H+]2Cn2cc([N+](=O)[O-])cn2)c1C ZINC000172912569 659364002 /nfs/dbraw/zinc/36/40/02/659364002.db2.gz ONSWKMXJQLHCTL-INIZCTEOSA-N 1 1 300.362 3.203 20 5 DGBDMO Cc1cccc([C@@H]2CCC[N@H+]2Cn2cc([N+](=O)[O-])cn2)c1C ZINC000172912569 659364010 /nfs/dbraw/zinc/36/40/10/659364010.db2.gz ONSWKMXJQLHCTL-INIZCTEOSA-N 1 1 300.362 3.203 20 5 DGBDMO CN(CC[C@H]1CCCC[N@H+]1C)Cc1cc(F)ccc1[N+](=O)[O-] ZINC000173958275 659406450 /nfs/dbraw/zinc/40/64/50/659406450.db2.gz QFIDZOVAXAOEFM-OAHLLOKOSA-N 1 1 309.385 3.040 20 5 DGBDMO CC[N@H+](Cc1ccc([N+](=O)[O-])cc1)C[C@H](O)c1ccc(C)cc1 ZINC000174278388 659426702 /nfs/dbraw/zinc/42/67/02/659426702.db2.gz BMMSHUXEHHXWOM-SFHVURJKSA-N 1 1 314.385 3.459 20 5 DGBDMO C[C@H](c1ccccc1[N+](=O)[O-])[N@H+]1CCC[C@@H](c2nccn2C)C1 ZINC000444797141 659887304 /nfs/dbraw/zinc/88/73/04/659887304.db2.gz CMBNYWOHBYEQGY-ZIAGYGMSSA-N 1 1 314.389 3.269 20 5 DGBDMO C[N@@H+](CCCCCc1cc(-c2ccccc2)no1)CC[N+](=O)[O-] ZINC000929468240 661309767 /nfs/dbraw/zinc/30/97/67/661309767.db2.gz VEDVRFMCQMXPTB-UHFFFAOYSA-N 1 1 317.389 3.263 20 5 DGBDMO Cc1nc([C@H]2CC[N@H+]([C@@H](C)c3cc([N+](=O)[O-])ccc3C)C2)no1 ZINC000931938231 661524416 /nfs/dbraw/zinc/52/44/16/661524416.db2.gz LPDNMCMMGUBBKT-AAEUAGOBSA-N 1 1 316.361 3.145 20 5 DGBDMO C[C@@H](c1ccccc1[N+](=O)[O-])[N@H+]1CCC[C@@H](c2ccn(C)n2)C1 ZINC000932134720 661540589 /nfs/dbraw/zinc/54/05/89/661540589.db2.gz HTVQMUGSAMIKAO-UONOGXRCSA-N 1 1 314.389 3.269 20 5 DGBDMO C[C@H](c1ccccc1[N+](=O)[O-])[N@H+]1CCC[C@@H](c2ccn(C)n2)C1 ZINC000932134721 661540870 /nfs/dbraw/zinc/54/08/70/661540870.db2.gz HTVQMUGSAMIKAO-ZIAGYGMSSA-N 1 1 314.389 3.269 20 5 DGBDMO Cc1c(C[N@@H+]2CCC[C@@H](c3ccn(C)n3)C2)cccc1[N+](=O)[O-] ZINC000932140207 661541739 /nfs/dbraw/zinc/54/17/39/661541739.db2.gz YKDGLHMJMZJINF-OAHLLOKOSA-N 1 1 314.389 3.016 20 5 DGBDMO O=[N+]([O-])c1cc(C[N@@H+]2CC[C@H](Cc3nccs3)C2)cs1 ZINC000934335972 661698547 /nfs/dbraw/zinc/69/85/47/661698547.db2.gz VYHJITMZZKUHPG-SNVBAGLBSA-N 1 1 309.416 3.177 20 5 DGBDMO O=[N+]([O-])c1cc(C[N@H+]2CC[C@H](Cc3nccs3)C2)cs1 ZINC000934335972 661698548 /nfs/dbraw/zinc/69/85/48/661698548.db2.gz VYHJITMZZKUHPG-SNVBAGLBSA-N 1 1 309.416 3.177 20 5 DGBDMO CC1(C)C[N@@H+](C[C@H](O)c2cccc([N+](=O)[O-])c2)[C@@H]2CCC[C@@H]21 ZINC000934761395 661732851 /nfs/dbraw/zinc/73/28/51/661732851.db2.gz GBIIRFVUWVLHDK-XHSDSOJGSA-N 1 1 304.390 3.139 20 5 DGBDMO O=[N+]([O-])c1ccc(C[N@H+]2CCCC[C@@H]([C@@H]3CCOC3)C2)cc1F ZINC000934838239 661739816 /nfs/dbraw/zinc/73/98/16/661739816.db2.gz NXSAFSQYEXJNDO-HUUCEWRRSA-N 1 1 322.380 3.373 20 5 DGBDMO O=[N+]([O-])c1ccc(C[N@H+]2CCCC[C@@H]([C@H]3CCOC3)C2)c(F)c1 ZINC000934838961 661740053 /nfs/dbraw/zinc/74/00/53/661740053.db2.gz RLWDPDWZCNWKNA-HIFRSBDPSA-N 1 1 322.380 3.373 20 5 DGBDMO C[C@H]([NH2+]Cc1csc([N+](=O)[O-])c1)c1cccc([N+](=O)[O-])c1 ZINC000037775623 662253679 /nfs/dbraw/zinc/25/36/79/662253679.db2.gz NPPWHQTZRMXXNI-VIFPVBQESA-N 1 1 307.331 3.415 20 5 DGBDMO O=[N+]([O-])c1ccc(Cl)cc1C[NH2+][C@@H](CO)c1ccccc1 ZINC000093632915 662357552 /nfs/dbraw/zinc/35/75/52/662357552.db2.gz CRENLLXXKHCCKI-AWEZNQCLSA-N 1 1 306.749 3.071 20 5 DGBDMO [NH3+]C[C@H]1CCCC12CCN(Cc1ccc([N+](=O)[O-])cc1F)CC2 ZINC001580260348 1192017000 /nfs/dbraw/zinc/01/70/00/1192017000.db2.gz OBWHSHHVNMRAKT-CQSZACIVSA-N 1 1 321.396 3.075 20 5 DGBDMO CC(C)c1ccc(CN[C@H]2C[N@@H+](C3CC3)C[C@H]2C)cc1[N+](=O)[O-] ZINC001620850905 1192455153 /nfs/dbraw/zinc/45/51/53/1192455153.db2.gz ROMKXBFTTMWCIE-DYVFJYSZSA-N 1 1 317.433 3.291 20 5 DGBDMO CC(C)c1ccc(CN[C@H]2C[N@H+](C3CC3)C[C@H]2C)cc1[N+](=O)[O-] ZINC001620850905 1192455155 /nfs/dbraw/zinc/45/51/55/1192455155.db2.gz ROMKXBFTTMWCIE-DYVFJYSZSA-N 1 1 317.433 3.291 20 5 DGBDMO O=[N+]([O-])c1cccc(C[NH2+][C@@H]2COc3ccc(Cl)cc32)c1 ZINC001620855374 1192463026 /nfs/dbraw/zinc/46/30/26/1192463026.db2.gz UZIBCJFHQYPDAQ-CQSZACIVSA-N 1 1 304.733 3.472 20 5 DGBDMO CC[N@@H+](CCC(=O)Nc1ccc([N+](=O)[O-])cc1OC)C(C)(C)C ZINC001331347980 1178190721 /nfs/dbraw/zinc/19/07/21/1178190721.db2.gz PJJMSJWCMBWQLU-UHFFFAOYSA-N 1 1 323.393 3.052 20 5 DGBDMO CC[N@H+]1CCC[C@@H](CN[C@H](C)c2c(F)cccc2[N+](=O)[O-])C1 ZINC001332280175 1178411196 /nfs/dbraw/zinc/41/11/96/1178411196.db2.gz ZXTAPDFZOBDCDC-OLZOCXBDSA-N 1 1 309.385 3.116 20 5 DGBDMO CC[N@H+]1CCC[C@H](CNc2ccc3cc([N+](=O)[O-])ccc3n2)C1 ZINC001333671524 1178650363 /nfs/dbraw/zinc/65/03/63/1178650363.db2.gz IUKOOUYVWFRCIS-CYBMUJFWSA-N 1 1 314.389 3.287 20 5 DGBDMO CC(C)[N@H+]1CCC[C@H]1C(=O)Nc1ccc([N+](=O)[O-])c(Cl)c1 ZINC001352673889 1180377882 /nfs/dbraw/zinc/37/78/82/1180377882.db2.gz VLNZWFGUTDMBGX-ZDUSSCGKSA-N 1 1 311.769 3.060 20 5 DGBDMO C[C@@H](Nc1cc(N)ccc1[N+](=O)[O-])[C@H]1CCC[N@H+](C2CCC2)C1 ZINC001354154837 1180732310 /nfs/dbraw/zinc/73/23/10/1180732310.db2.gz FJBFQXGCNYBJDA-OLZOCXBDSA-N 1 1 318.421 3.242 20 5 DGBDMO C[C@H](Nc1ccnc(F)c1[N+](=O)[O-])[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC001354158511 1180733762 /nfs/dbraw/zinc/73/37/62/1180733762.db2.gz ZKROEULNMZKWEB-NWDGAFQWSA-N 1 1 322.384 3.194 20 5 DGBDMO CCC[N@@H+](CC)CCNc1nccc2c1cccc2[N+](=O)[O-] ZINC001458219034 1182506181 /nfs/dbraw/zinc/50/61/81/1182506181.db2.gz GYXJKHURJPUKDJ-UHFFFAOYSA-N 1 1 302.378 3.287 20 5 DGBDMO CN(C)c1cc[nH+]c(CNc2nccc3c2cccc3[N+](=O)[O-])c1 ZINC001458606842 1182543289 /nfs/dbraw/zinc/54/32/89/1182543289.db2.gz SVYHXBAYJJLVIY-UHFFFAOYSA-N 1 1 323.356 3.216 20 5 DGBDMO C[C@H](C[N@@H+](C)CC(=O)N(C)c1ccc([N+](=O)[O-])cc1)C(C)(C)C ZINC001460744468 1182714875 /nfs/dbraw/zinc/71/48/75/1182714875.db2.gz PKADFDJNGJHNFH-CYBMUJFWSA-N 1 1 321.421 3.172 20 5 DGBDMO C[C@@H](C[N@@H+](C)CC(=O)N(C)c1ccc([N+](=O)[O-])cc1)C(C)(C)C ZINC001460744469 1182715649 /nfs/dbraw/zinc/71/56/49/1182715649.db2.gz PKADFDJNGJHNFH-ZDUSSCGKSA-N 1 1 321.421 3.172 20 5 DGBDMO O=[N+]([O-])c1ccc(C[N@@H+]2CCCC[C@]23CCCOC3)c(F)c1 ZINC001460968720 1182747089 /nfs/dbraw/zinc/74/70/89/1182747089.db2.gz BETYKKTVJZDPMZ-MRXNPFEDSA-N 1 1 308.353 3.269 20 5 DGBDMO O=[N+]([O-])c1ccc(C[N@H+]2CCCC[C@]23CCCOC3)c(F)c1 ZINC001460968720 1182747091 /nfs/dbraw/zinc/74/70/91/1182747091.db2.gz BETYKKTVJZDPMZ-MRXNPFEDSA-N 1 1 308.353 3.269 20 5 DGBDMO CCOC(OCC)[C@@H](C)[NH2+]Cc1ccc([N+](=O)[O-])cc1Cl ZINC001653288067 1195707785 /nfs/dbraw/zinc/70/77/85/1195707785.db2.gz OWFUFYOGMYYTCJ-SNVBAGLBSA-N 1 1 316.785 3.125 20 5 DGBDMO C[C@H](C[N@H+]1CCC[C@@H](C)C1)Nc1nc2cc([N+](=O)[O-])ccc2[nH]1 ZINC001472668755 1183664074 /nfs/dbraw/zinc/66/40/74/1183664074.db2.gz XJBOZKKATWSJSK-VXGBXAGGSA-N 1 1 317.393 3.003 20 5 DGBDMO CCCC[N@@H+](C)C[C@H](C)Nc1nc2c(cc1[N+](=O)[O-])CCCC2 ZINC001472798004 1183682486 /nfs/dbraw/zinc/68/24/86/1183682486.db2.gz UKMNPSALRFKURI-ZDUSSCGKSA-N 1 1 320.437 3.401 20 5 DGBDMO COc1ccc(OCC[N@H+]2C[C@@H]3CCCC[C@@]32C)c([N+](=O)[O-])c1 ZINC001473692613 1183789156 /nfs/dbraw/zinc/78/91/56/1183789156.db2.gz FILQDINJDWFMBA-GUYCJALGSA-N 1 1 320.389 3.247 20 5 DGBDMO O=[N+]([O-])c1cccc(OCC[N@H+]2CCCC[C@@H]2[C@@H]2CCCO2)c1 ZINC001473884443 1183819064 /nfs/dbraw/zinc/81/90/64/1183819064.db2.gz IUQBFGJLVIRFDU-SJORKVTESA-N 1 1 320.389 3.007 20 5 DGBDMO Cc1ccc(NCC[N@H+]2CCc3ccccc3C2)c([N+](=O)[O-])c1 ZINC001611775662 1193441350 /nfs/dbraw/zinc/44/13/50/1193441350.db2.gz LHDLSMLZMSYCJN-UHFFFAOYSA-N 1 1 311.385 3.373 20 5 DGBDMO C[N@H+]1C[C@@H]2CC[C@H](Nc3ccc(C(F)F)cc3[N+](=O)[O-])[C@@H]2C1 ZINC001516431427 1186783973 /nfs/dbraw/zinc/78/39/73/1186783973.db2.gz OODVOYOCBQODMH-TUAOUCFPSA-N 1 1 311.332 3.285 20 5 DGBDMO C[C@@H]1CN(c2ccc([N+](=O)[O-])cc2F)CC[N@H+]1C1CCCC1 ZINC001612913447 1193463700 /nfs/dbraw/zinc/46/37/00/1193463700.db2.gz VQEUTBUOSNXHLF-GFCCVEGCSA-N 1 1 307.369 3.187 20 5 DGBDMO CC[C@@H]1CCC[N@H+]([C@H](C)C(=O)Nc2cccc([N+](=O)[O-])c2)CC1 ZINC001615497094 1193523239 /nfs/dbraw/zinc/52/32/39/1193523239.db2.gz STININYLLJNGTA-ZIAGYGMSSA-N 1 1 319.405 3.434 20 5 DGBDMO C[C@H](Cc1ccsc1)[N@@H+](C)C[C@H](O)c1ccc([N+](=O)[O-])cc1 ZINC001615783034 1193528511 /nfs/dbraw/zinc/52/85/11/1193528511.db2.gz QHRKBAINDWQMGL-WBMJQRKESA-N 1 1 320.414 3.253 20 5 DGBDMO COc1ccc(Cl)cc1[C@@H](CC(C)C)[NH2+]CC[N+](=O)[O-] ZINC001616713973 1193545833 /nfs/dbraw/zinc/54/58/33/1193545833.db2.gz GJCKRBNCSNGHRW-CYBMUJFWSA-N 1 1 300.786 3.302 20 5 DGBDMO CC[C@@H]1CC[N@@H+]([C@H](C)C(=O)Nc2ccc([N+](=O)[O-])cc2)[C@H]1C ZINC001617358650 1193566598 /nfs/dbraw/zinc/56/65/98/1193566598.db2.gz BQDIMXICYRYNHM-YNEHKIRRSA-N 1 1 305.378 3.042 20 5 DGBDMO CC1(C)CC[N@@H+](CCNc2ccc([N+](=O)[O-])c3cccnc23)C1 ZINC001559300232 1189194233 /nfs/dbraw/zinc/19/42/33/1189194233.db2.gz HNDQOLRJAJQOJY-UHFFFAOYSA-N 1 1 314.389 3.287 20 5 DGBDMO O=[N+]([O-])c1ccccc1OCC[N@H+]1CCCSC[C@H]1C1CC1 ZINC001560188921 1189289054 /nfs/dbraw/zinc/28/90/54/1189289054.db2.gz YJABAFHWIWSZHU-HNNXBMFYSA-N 1 1 322.430 3.191 20 5 DGBDMO O=[N+]([O-])c1ccc(F)cc1C[N@@H+]1CCCC[C@H]1[C@H]1CCCO1 ZINC001560223506 1189293854 /nfs/dbraw/zinc/29/38/54/1189293854.db2.gz ANMFXVKVXBIIRC-JKSUJKDBSA-N 1 1 308.353 3.267 20 5 DGBDMO O=[N+]([O-])c1ccc(F)cc1C[N@H+]1CCCC[C@H]1[C@H]1CCCO1 ZINC001560223506 1189293857 /nfs/dbraw/zinc/29/38/57/1189293857.db2.gz ANMFXVKVXBIIRC-JKSUJKDBSA-N 1 1 308.353 3.267 20 5 DGBDMO O=[N+]([O-])c1cc(C[N@@H+]2CCCC[C@]23CCOC3)ccc1Cl ZINC001560233141 1189295569 /nfs/dbraw/zinc/29/55/69/1189295569.db2.gz SCLGSQJZLCDRAG-OAHLLOKOSA-N 1 1 310.781 3.393 20 5 DGBDMO O=[N+]([O-])c1cc(C[N@H+]2CCCC[C@]23CCOC3)ccc1Cl ZINC001560233141 1189295572 /nfs/dbraw/zinc/29/55/72/1189295572.db2.gz SCLGSQJZLCDRAG-OAHLLOKOSA-N 1 1 310.781 3.393 20 5 DGBDMO C[C@@H](CCc1ccccc1[N+](=O)[O-])[NH2+]C[C@@H]1CCC(C)(C)CN1 ZINC001575967108 1191521412 /nfs/dbraw/zinc/52/14/12/1191521412.db2.gz VAWZUILTZOWFLR-HOCLYGCPSA-N 1 1 319.449 3.284 20 5 DGBDMO C[C@H]([NH2+]Cc1ccc([N+](=O)[O-])cc1F)c1ccc([N+](=O)[O-])cc1 ZINC001620571254 1193780392 /nfs/dbraw/zinc/78/03/92/1193780392.db2.gz OFLYZXUJRIRKEH-JTQLQIEISA-N 1 1 319.292 3.493 20 5 DGBDMO C[C@]12C[N@@H+](Cc3ccc(F)cc3[N+](=O)[O-])C[C@H]1[C@H]1C=C[C@@H]2C1 ZINC001620626946 1193784758 /nfs/dbraw/zinc/78/47/58/1193784758.db2.gz FYKJCFYCLUFQDK-MAQMMGONSA-N 1 1 302.349 3.378 20 5 DGBDMO CC(C)(C)[C@H]1CC[N@H+](Cc2ccc([N+](=O)[O-])c(F)c2)CCO1 ZINC001620681269 1193790847 /nfs/dbraw/zinc/79/08/47/1193790847.db2.gz HDHHHICXQCQHNX-OAHLLOKOSA-N 1 1 310.369 3.371 20 5 DGBDMO CC(C)(C)[C@H]1CC[N@@H+](Cc2ccc([N+](=O)[O-])c(F)c2)CCO1 ZINC001620681269 1193790849 /nfs/dbraw/zinc/79/08/49/1193790849.db2.gz HDHHHICXQCQHNX-OAHLLOKOSA-N 1 1 310.369 3.371 20 5 DGBDMO C[C@@H]1CCCC[N@H+]1CCCNc1nc(Cl)ccc1[N+](=O)[O-] ZINC000036925910 1193923693 /nfs/dbraw/zinc/92/36/93/1193923693.db2.gz DUOQHIDEBCDNAE-LLVKDONJSA-N 1 1 312.801 3.320 20 5 DGBDMO C[C@H]1CC[N@@H+](Cc2cn(C)nc2[N+](=O)[O-])CC12CCCCC2 ZINC001642802942 1194940984 /nfs/dbraw/zinc/94/09/84/1194940984.db2.gz PFGFPYSONJWTFY-ZDUSSCGKSA-N 1 1 306.410 3.121 20 5 DGBDMO C[C@H]1[C@@H](Nc2c(Cl)c(Cl)ccc2[N+](=O)[O-])CC[N@H+]1C ZINC001643203415 1195003154 /nfs/dbraw/zinc/00/31/54/1195003154.db2.gz SSAVHYXZMMUWLT-CBAPKCEASA-N 1 1 304.177 3.406 20 5 DGBDMO C[C@@H]1[C@H](Nc2c(Cl)c(Cl)ccc2[N+](=O)[O-])CC[N@H+]1C ZINC001643203417 1195004222 /nfs/dbraw/zinc/00/42/22/1195004222.db2.gz SSAVHYXZMMUWLT-VXNVDRBHSA-N 1 1 304.177 3.406 20 5 DGBDMO C[C@@H]1[C@@H](Nc2c(Cl)c(Cl)ccc2[N+](=O)[O-])CC[N@H+]1C ZINC001643203414 1195004355 /nfs/dbraw/zinc/00/43/55/1195004355.db2.gz SSAVHYXZMMUWLT-APPZFPTMSA-N 1 1 304.177 3.406 20 5 DGBDMO CC[N@@H+](CCC(=O)Nc1ccc([N+](=O)[O-])cc1)CC(C)(C)C ZINC001643208928 1195004918 /nfs/dbraw/zinc/00/49/18/1195004918.db2.gz FXYUPJAWSVEYLA-UHFFFAOYSA-N 1 1 307.394 3.291 20 5 DGBDMO O=C(C[N@@H+]1C[C@H]2CCCC[C@H]21)Nc1ccc(Cl)c([N+](=O)[O-])c1 ZINC001643704226 1195047663 /nfs/dbraw/zinc/04/76/63/1195047663.db2.gz GIUMCRFNLJPNHI-ZWNOBZJWSA-N 1 1 323.780 3.061 20 5 DGBDMO O=C(C[N@H+]1C[C@H]2CCCC[C@H]21)Nc1ccc(Cl)c([N+](=O)[O-])c1 ZINC001643704226 1195047665 /nfs/dbraw/zinc/04/76/65/1195047665.db2.gz GIUMCRFNLJPNHI-ZWNOBZJWSA-N 1 1 323.780 3.061 20 5 DGBDMO Cc1ncc([N+](=O)[O-])n1CC[N@H+]1CCCC[C@@H]1CC1CCC1 ZINC001643914894 1195064224 /nfs/dbraw/zinc/06/42/24/1195064224.db2.gz GELJHCXUJGKIFI-OAHLLOKOSA-N 1 1 306.410 3.144 20 5 DGBDMO CCCC[N@@H+](CCn1cc([N+](=O)[O-])cn1)[C@@H]1CCC[C@H](C)C1 ZINC001645913460 1195206948 /nfs/dbraw/zinc/20/69/48/1195206948.db2.gz WNHJJWOENIYKJD-LSDHHAIUSA-N 1 1 308.426 3.472 20 5 DGBDMO O=[N+]([O-])c1cc(F)ccc1C[N@@H+]1CCCC[C@H]1[C@@H]1CCCO1 ZINC001648616614 1195315239 /nfs/dbraw/zinc/31/52/39/1195315239.db2.gz FQSIWCRFIXIXNQ-HOCLYGCPSA-N 1 1 308.353 3.267 20 5 DGBDMO O=[N+]([O-])c1cc(F)ccc1C[N@H+]1CCCC[C@H]1[C@@H]1CCCO1 ZINC001648616614 1195315240 /nfs/dbraw/zinc/31/52/40/1195315240.db2.gz FQSIWCRFIXIXNQ-HOCLYGCPSA-N 1 1 308.353 3.267 20 5 DGBDMO Cc1cccc(NCCNc2ccc3cnccc3c2[N+](=O)[O-])[nH+]1 ZINC001651443435 1195463117 /nfs/dbraw/zinc/46/31/17/1195463117.db2.gz FWXPUQOUEHGJIY-UHFFFAOYSA-N 1 1 323.356 3.370 20 5 DGBDMO CC[C@H](C)[N@@H+](C)CCNc1nc2c(cc1[N+](=O)[O-])CCCC2 ZINC001651475586 1195467499 /nfs/dbraw/zinc/46/74/99/1195467499.db2.gz PBUFVMAHOKFORN-LBPRGKRZSA-N 1 1 306.410 3.011 20 5 DGBDMO COC[C@@H]([NH2+]Cc1ccc([N+](=O)[O-])cc1F)c1ccccc1 ZINC001653136146 1195691291 /nfs/dbraw/zinc/69/12/91/1195691291.db2.gz SRSXNAWQXWIKHB-MRXNPFEDSA-N 1 1 304.321 3.211 20 5 DGBDMO CCOC(OCC)[C@H](C)[NH2+]Cc1ccc([N+](=O)[O-])cc1Cl ZINC001653288066 1195707356 /nfs/dbraw/zinc/70/73/56/1195707356.db2.gz OWFUFYOGMYYTCJ-JTQLQIEISA-N 1 1 316.785 3.125 20 5 DGBDMO CC[C@]1(C)CCC[N@H+]([C@@H](C)C(=O)Nc2cccc([N+](=O)[O-])c2)C1 ZINC001653448686 1195723705 /nfs/dbraw/zinc/72/37/05/1195723705.db2.gz DRDJAWQQGQAVEO-SUMWQHHRSA-N 1 1 319.405 3.434 20 5 DGBDMO CO[C@@]1(C)C[C@H]([N@@H+](C)CCOc2ccc([N+](=O)[O-])cc2)C1(C)C ZINC001653446317 1195725027 /nfs/dbraw/zinc/72/50/27/1195725027.db2.gz YORDVECJWGJTRD-RDJZCZTQSA-N 1 1 322.405 3.109 20 5 DGBDMO CC[C@@H]1CC[C@@H](C)[N@@H+](CC(=O)Nc2cc([N+](=O)[O-])ccc2C)C1 ZINC001655087169 1195874288 /nfs/dbraw/zinc/87/42/88/1195874288.db2.gz XZNJGKNHXDPETM-ZIAGYGMSSA-N 1 1 319.405 3.352 20 5 DGBDMO CCCC[N@@H+](C)C[C@H](C)Nc1c2ccccc2ncc1[N+](=O)[O-] ZINC001655534284 1195929340 /nfs/dbraw/zinc/92/93/40/1195929340.db2.gz JTBLYJKMBZRFPW-ZDUSSCGKSA-N 1 1 316.405 3.097 20 5 DGBDMO CC(C)c1ccc(CN[C@H]2CC[N@H+]3CCCC[C@H]23)cc1[N+](=O)[O-] ZINC001656798419 1196072062 /nfs/dbraw/zinc/07/20/62/1196072062.db2.gz GWSLXNZZLHRDFQ-DLBZAZTESA-N 1 1 317.433 3.435 20 5 DGBDMO CC(C)c1ccc(C[NH2+][C@H]2CCN3CCCC[C@H]23)cc1[N+](=O)[O-] ZINC001656798419 1196072064 /nfs/dbraw/zinc/07/20/64/1196072064.db2.gz GWSLXNZZLHRDFQ-DLBZAZTESA-N 1 1 317.433 3.435 20 5 DGBDMO Cc1ccc([N+](=O)[O-])c(C)c1C[N@H+]1CC[C@@H]2CSC[C@@H]2C1 ZINC001658738384 1196294145 /nfs/dbraw/zinc/29/41/45/1196294145.db2.gz WPXHZRRLVVIXLR-KGLIPLIRSA-N 1 1 306.431 3.397 20 5 DGBDMO Cc1ccc([N+](=O)[O-])c(C)c1C[N@H+]1C[C@H](C)OC2(CCC2)C1 ZINC001659581235 1196396819 /nfs/dbraw/zinc/39/68/19/1196396819.db2.gz GKFALVIMXLMZCX-ZDUSSCGKSA-N 1 1 304.390 3.355 20 5 DGBDMO Cc1ccc([N+](=O)[O-])c(C)c1C[N@@H+]1C[C@H](C)OC2(CCC2)C1 ZINC001659581235 1196396823 /nfs/dbraw/zinc/39/68/23/1196396823.db2.gz GKFALVIMXLMZCX-ZDUSSCGKSA-N 1 1 304.390 3.355 20 5 DGBDMO Cc1ncc([C@@H](C)[NH2+]Cc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])s1 ZINC001659723451 1196409155 /nfs/dbraw/zinc/40/91/55/1196409155.db2.gz PCYWXQLAONVYRS-MRVPVSSYSA-N 1 1 322.346 3.119 20 5 DGBDMO COc1nsc(C[NH2+]Cc2ccc([N+](=O)[O-])cc2)c1Cl ZINC001661054057 1196559382 /nfs/dbraw/zinc/55/93/82/1196559382.db2.gz JSNISUPUIKWUIQ-UHFFFAOYSA-N 1 1 313.766 3.003 20 5 DGBDMO COc1ccc(C[C@H](C)[N@@H+]2CC[C@H](OC)C[C@@H]2C)c([N+](=O)[O-])c1 ZINC001170355878 1082350493 /nfs/dbraw/zinc/35/04/93/1082350493.db2.gz RYTUIIASEWTMCG-XEZPLFJOSA-N 1 1 322.405 3.034 20 5 DGBDMO COc1ccc(C[C@H](C)[N@@H+](C)C[C@@H]2CCCCO2)c([N+](=O)[O-])c1 ZINC001170345421 1082356946 /nfs/dbraw/zinc/35/69/46/1082356946.db2.gz KGHNZAFHNYFHOW-BBRMVZONSA-N 1 1 322.405 3.035 20 5 DGBDMO COc1ccc(C[C@@H](C)[N@@H+](C)C[C@@H]2CCCCO2)c([N+](=O)[O-])c1 ZINC001170345422 1082357240 /nfs/dbraw/zinc/35/72/40/1082357240.db2.gz KGHNZAFHNYFHOW-CJNGLKHVSA-N 1 1 322.405 3.035 20 5 DGBDMO Cc1ccc([N+](=O)[O-])c(C)c1C[N@@H+]1CCC[C@](CO)(C(C)C)C1 ZINC001182006890 1083612565 /nfs/dbraw/zinc/61/25/65/1083612565.db2.gz AJQIQIBSUGYWCK-SFHVURJKSA-N 1 1 320.433 3.442 20 5 DGBDMO C[C@@H]1CCCC[N@H+]1CCCNc1ccc2nc[nH]c2c1[N+](=O)[O-] ZINC001167753870 1083631537 /nfs/dbraw/zinc/63/15/37/1083631537.db2.gz SIGZRCAJQWEUOF-GFCCVEGCSA-N 1 1 317.393 3.148 20 5 DGBDMO C[N@H+]1CCCC[C@@H](CNc2nc3c(cc2[N+](=O)[O-])CCCC3)C1 ZINC001187044773 1084746147 /nfs/dbraw/zinc/74/61/47/1084746147.db2.gz OPKNLMSJAFDQRS-ZDUSSCGKSA-N 1 1 318.421 3.012 20 5 DGBDMO C[C@H]1CCCC[N@H+]1CCCNc1ccc2[nH]cc([N+](=O)[O-])c2n1 ZINC001156928257 1089751928 /nfs/dbraw/zinc/75/19/28/1089751928.db2.gz JQLOVORPTUKJIU-LBPRGKRZSA-N 1 1 317.393 3.148 20 5 DGBDMO Cc1c(C)c(NCCC[N@@H+]2CCCC[C@H]2C)ncc1[N+](=O)[O-] ZINC001156929792 1089753124 /nfs/dbraw/zinc/75/31/24/1089753124.db2.gz ZRFQGJGUGBLOEM-GFCCVEGCSA-N 1 1 306.410 3.283 20 5 DGBDMO CC(C)[N@@H+](C)[C@H]1CCN(c2ccc3cccc([N+](=O)[O-])c3n2)C1 ZINC001157009493 1089785683 /nfs/dbraw/zinc/78/56/83/1089785683.db2.gz JBBLEMYEYRXCSD-AWEZNQCLSA-N 1 1 314.389 3.062 20 5 DGBDMO CC(C)[N@@H+](C)[C@H]1CCN(c2nc3ccccc3cc2[N+](=O)[O-])C1 ZINC001157019167 1089786339 /nfs/dbraw/zinc/78/63/39/1089786339.db2.gz DDOCIDFLHLZFNK-AWEZNQCLSA-N 1 1 314.389 3.062 20 5 DGBDMO CC(C)[N@H+]1CC[C@H](Nc2ncc([N+](=O)[O-])cc2Cl)[C@H](C)C1 ZINC001163358623 1090162557 /nfs/dbraw/zinc/16/25/57/1090162557.db2.gz WHFBFYXVJKCGMH-MFKMUULPSA-N 1 1 312.801 3.174 20 5 DGBDMO Cc1cc(NC[C@H]2CC[N@@H+]2C)c([N+](=O)[O-])cc1C(F)(F)F ZINC001164191139 1090368827 /nfs/dbraw/zinc/36/88/27/1090368827.db2.gz YUWMJIKBWBCHJG-SECBINFHSA-N 1 1 303.284 3.038 20 5 DGBDMO Cc1cc(NC(=O)c2cc(Cl)c(C)cc2[N+](=O)[O-])cc(C)[nH+]1 ZINC001127822859 1090484206 /nfs/dbraw/zinc/48/42/06/1090484206.db2.gz MFENRTVJBWYRHS-UHFFFAOYSA-N 1 1 319.748 3.243 20 5 DGBDMO C[N@H+]1CCC[C@H](CCNc2nc3c(cc2[N+](=O)[O-])CCCC3)C1 ZINC001165273846 1090493781 /nfs/dbraw/zinc/49/37/81/1090493781.db2.gz WYABJHOEPLVVDB-CYBMUJFWSA-N 1 1 318.421 3.012 20 5 DGBDMO C[N@H+]1CCC[C@@H](CCNc2nc3c(cc2[N+](=O)[O-])CCCC3)C1 ZINC001165273847 1090494052 /nfs/dbraw/zinc/49/40/52/1090494052.db2.gz WYABJHOEPLVVDB-ZDUSSCGKSA-N 1 1 318.421 3.012 20 5 DGBDMO CCc1[nH]nc(Cl)c1C[N@H+](C)CCc1ccccc1[N+](=O)[O-] ZINC001205755618 1091335551 /nfs/dbraw/zinc/33/55/51/1091335551.db2.gz LHBJLKCHCULXSP-UHFFFAOYSA-N 1 1 322.796 3.208 20 5 DGBDMO CCc1[nH]nc(Cl)c1C[N@@H+](C)CCc1ccccc1[N+](=O)[O-] ZINC001205755618 1091335559 /nfs/dbraw/zinc/33/55/59/1091335559.db2.gz LHBJLKCHCULXSP-UHFFFAOYSA-N 1 1 322.796 3.208 20 5 DGBDMO NC(=O)[C@@H]1C[C@H](F)C[N@@H+]1Cc1c2ccccc2cc2ccccc21 ZINC001141728588 1092323831 /nfs/dbraw/zinc/32/38/31/1092323831.db2.gz YQHZTQJJTGFOBL-KXBFYZLASA-N 1 1 322.383 3.391 20 5 DGBDMO NC(=O)[C@@H]1C[C@H](F)C[N@H+]1Cc1c2ccccc2cc2ccccc21 ZINC001141728588 1092323844 /nfs/dbraw/zinc/32/38/44/1092323844.db2.gz YQHZTQJJTGFOBL-KXBFYZLASA-N 1 1 322.383 3.391 20 5 DGBDMO OC[C@H]1CC[N@@H+](Cc2c3ccccc3cc3ccccc32)C[C@H]1O ZINC001141723099 1092323946 /nfs/dbraw/zinc/32/39/46/1092323946.db2.gz OQPZJEKHTVJTIH-DYESRHJHSA-N 1 1 321.420 3.168 20 5 DGBDMO CC[N@@H+](CCc1ccc(OC)cc1)[C@@H]1CC[C@@H](C[N+](=O)[O-])C1 ZINC001169046897 1092507032 /nfs/dbraw/zinc/50/70/32/1092507032.db2.gz OGAZVSKKDIDTAD-HZPDHXFCSA-N 1 1 306.406 3.005 20 5 DGBDMO O=[N+]([O-])C[C@H]1CC[C@H]([N@H+]2CC[C@H](Sc3ccc(F)cc3)C2)C1 ZINC001169046324 1092507553 /nfs/dbraw/zinc/50/75/53/1092507553.db2.gz KNEZAFKHAPIUAI-NOLJZWGESA-N 1 1 324.421 3.438 20 5 DGBDMO O=[N+]([O-])c1ccc(CO[C@H]2CC[NH2+]CC2(F)F)c2ccccc21 ZINC001217779345 1094494236 /nfs/dbraw/zinc/49/42/36/1094494236.db2.gz ADDGNVTTWPPIPI-HNNXBMFYSA-N 1 1 322.311 3.262 20 5 DGBDMO FC1(F)C[NH2+]C[C@@H]1Oc1cccc2cc3ccccc3nc21 ZINC001218232565 1094667932 /nfs/dbraw/zinc/66/79/32/1094667932.db2.gz DHNJJCWGDRSEIS-HNNXBMFYSA-N 1 1 300.308 3.374 20 5 DGBDMO O=[N+]([O-])c1cccc(-c2ccc(O[C@@H]3C[NH2+]CC3(F)F)cc2)c1 ZINC001218235196 1094670293 /nfs/dbraw/zinc/67/02/93/1094670293.db2.gz AFNXZUVFSNJKLL-OAHLLOKOSA-N 1 1 320.295 3.248 20 5 DGBDMO Cc1cc(N2CCC(c3c[nH+]cn3C)CC2)c(F)cc1[N+](=O)[O-] ZINC001338318944 1095262993 /nfs/dbraw/zinc/26/29/93/1095262993.db2.gz JASSYBRWEUXBGS-UHFFFAOYSA-N 1 1 318.352 3.160 20 5 DGBDMO CCC[N@@H+]1CCCC[C@H]1C(=O)OCc1c(F)cccc1[N+](=O)[O-] ZINC001116116088 1095459566 /nfs/dbraw/zinc/45/95/66/1095459566.db2.gz XFJVPOWYYJODBT-HNNXBMFYSA-N 1 1 324.352 3.042 20 5 DGBDMO CCC[N@H+]1CCCC[C@H]1C(=O)OCc1c(F)cccc1[N+](=O)[O-] ZINC001116116088 1095459574 /nfs/dbraw/zinc/45/95/74/1095459574.db2.gz XFJVPOWYYJODBT-HNNXBMFYSA-N 1 1 324.352 3.042 20 5 DGBDMO O=[N+]([O-])c1cccc([C@H](O)C[N@H+]2CC[C@H]3CCCC[C@H]3C2)c1 ZINC001116351516 1095522750 /nfs/dbraw/zinc/52/27/50/1095522750.db2.gz CXRXCQZKGVDPAX-UKPHBRMFSA-N 1 1 304.390 3.140 20 5 DGBDMO O=[N+]([O-])c1cccc(O[C@@H]2CC[N@@H+](Cc3ccccc3)C2)c1F ZINC001225794149 1096531583 /nfs/dbraw/zinc/53/15/83/1096531583.db2.gz JBUOQDMXFHFQHU-CQSZACIVSA-N 1 1 316.332 3.387 20 5 DGBDMO O=[N+]([O-])c1ccc(O[C@H]2CC[N@@H+](Cc3ccccc3)C2)c(F)c1 ZINC001225948847 1096571561 /nfs/dbraw/zinc/57/15/61/1096571561.db2.gz WEGHSOWQKBMKBG-HNNXBMFYSA-N 1 1 316.332 3.387 20 5 DGBDMO C[N@H+]1CCC[C@H](Oc2ccc(C(F)(F)F)cc2[N+](=O)[O-])CC1 ZINC001225956595 1096573592 /nfs/dbraw/zinc/57/35/92/1096573592.db2.gz NXOFMVSIPXWYBD-NSHDSACASA-N 1 1 318.295 3.477 20 5 DGBDMO O=[N+]([O-])c1cccc(F)c1O[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC001226007536 1096588016 /nfs/dbraw/zinc/58/80/16/1096588016.db2.gz PIGSKRWWJPYXQI-CQSZACIVSA-N 1 1 316.332 3.387 20 5 DGBDMO CC[N@H+]1CCC[C@H](Oc2ccc([N+](=O)[O-])cc2C(F)(F)F)C1 ZINC001226312840 1096659519 /nfs/dbraw/zinc/65/95/19/1096659519.db2.gz FMDNMWSYQPFLJQ-NSHDSACASA-N 1 1 318.295 3.477 20 5 DGBDMO Cc1cnc(O[C@H]2C[C@H]3CC[C@@H](C2)[N@@H+]3C(C)C)c([N+](=O)[O-])c1 ZINC001227237333 1096902376 /nfs/dbraw/zinc/90/23/76/1096902376.db2.gz SZZPLBNGFWFTDK-WDNDVIMCSA-N 1 1 305.378 3.081 20 5 DGBDMO C[C@@H](c1ccccc1[N+](=O)[O-])N1CC[N@@H+](C)[C@@H](C(C)(C)C)C1 ZINC001171653647 1096940203 /nfs/dbraw/zinc/94/02/03/1096940203.db2.gz LVFNRDYQATUXMD-XJKSGUPXSA-N 1 1 305.422 3.318 20 5 DGBDMO C[C@@H](c1ccccc1[N+](=O)[O-])[N@@H+]1CCN(C)[C@@H](C(C)(C)C)C1 ZINC001171653647 1096940204 /nfs/dbraw/zinc/94/02/04/1096940204.db2.gz LVFNRDYQATUXMD-XJKSGUPXSA-N 1 1 305.422 3.318 20 5 DGBDMO CC[N@H+]1CC[C@@H](Oc2cc(Cl)c([N+](=O)[O-])cc2Cl)C1 ZINC001228152792 1097063330 /nfs/dbraw/zinc/06/33/30/1097063330.db2.gz SWVUOEWKHLHPDI-MRVPVSSYSA-N 1 1 305.161 3.375 20 5 DGBDMO CC[N@H+]1CC[C@H](Oc2cc(Cl)c([N+](=O)[O-])cc2Cl)C1 ZINC001228152793 1097063596 /nfs/dbraw/zinc/06/35/96/1097063596.db2.gz SWVUOEWKHLHPDI-QMMMGPOBSA-N 1 1 305.161 3.375 20 5 DGBDMO C[N@H+]1CCC[C@H](Oc2ccc3c(c2)oc2ccccc2c3=O)C1 ZINC001228179545 1097068549 /nfs/dbraw/zinc/06/85/49/1097068549.db2.gz IRVQHDIFMHDLFG-AWEZNQCLSA-N 1 1 309.365 3.419 20 5 DGBDMO CC[N@H+]1CCC[C@H](Oc2nc3ccc([N+](=O)[O-])cc3s2)C1 ZINC001228212650 1097075027 /nfs/dbraw/zinc/07/50/27/1097075027.db2.gz RCQZEOISQDUIQT-NSHDSACASA-N 1 1 307.375 3.068 20 5 DGBDMO CC[N@H+]1CCC[C@@H](Oc2nc3ccc([N+](=O)[O-])cc3s2)C1 ZINC001228212649 1097075046 /nfs/dbraw/zinc/07/50/46/1097075046.db2.gz RCQZEOISQDUIQT-LLVKDONJSA-N 1 1 307.375 3.068 20 5 DGBDMO Cc1cc2[nH]c(O[C@H]3CCC[N@H+](C(C)C)C3)nc2cc1[N+](=O)[O-] ZINC001228673491 1097164466 /nfs/dbraw/zinc/16/44/66/1097164466.db2.gz GUQXVSKKPSCSSW-LBPRGKRZSA-N 1 1 318.377 3.031 20 5 DGBDMO Cc1c(CN[C@@H]2CC[N@H+](C3CCCCC3)C2)cccc1[N+](=O)[O-] ZINC001203181578 1097209060 /nfs/dbraw/zinc/20/90/60/1097209060.db2.gz ZWHMINUWOMMBRI-MRXNPFEDSA-N 1 1 317.433 3.400 20 5 DGBDMO Cc1c(C[NH2+][C@@H]2CCN(C3CCCCC3)C2)cccc1[N+](=O)[O-] ZINC001203181578 1097209063 /nfs/dbraw/zinc/20/90/63/1097209063.db2.gz ZWHMINUWOMMBRI-MRXNPFEDSA-N 1 1 317.433 3.400 20 5 DGBDMO CC[N@H+]1CCC[C@H](Oc2c([N+](=O)[O-])cccc2C(F)(F)F)C1 ZINC001228931481 1097219961 /nfs/dbraw/zinc/21/99/61/1097219961.db2.gz VXUPNKFLSIQICH-JTQLQIEISA-N 1 1 318.295 3.477 20 5 DGBDMO CCC[N@@H+](CCOC)[C@@H]1CCc2ccc([N+](=O)[O-])cc2CC1 ZINC001172907681 1097270270 /nfs/dbraw/zinc/27/02/70/1097270270.db2.gz HNDVFHKWVUHRCP-MRXNPFEDSA-N 1 1 306.406 3.201 20 5 DGBDMO O=[N+]([O-])c1ccc2c(c1)CC[C@H]([N@H+]1CCC[C@@]13CCOC3)CC2 ZINC001172920076 1097280724 /nfs/dbraw/zinc/28/07/24/1097280724.db2.gz IHWPYKJWMMVPTJ-AEFFLSMTSA-N 1 1 316.401 3.097 20 5 DGBDMO CC(C)(O)[C@@H]1CCC[N@H+]1[C@@H]1CCc2ccc([N+](=O)[O-])cc2CC1 ZINC001172922593 1097281769 /nfs/dbraw/zinc/28/17/69/1097281769.db2.gz ZBMBELNOGFYLLH-WBVHZDCISA-N 1 1 318.417 3.078 20 5 DGBDMO CC(C)(O)[C@H]1CCC[N@H+]1[C@@H]1CCc2ccc([N+](=O)[O-])cc2CC1 ZINC001172922591 1097281822 /nfs/dbraw/zinc/28/18/22/1097281822.db2.gz ZBMBELNOGFYLLH-NVXWUHKLSA-N 1 1 318.417 3.078 20 5 DGBDMO CC(C)[N@H+]1CC[C@@H](Oc2cc([N+](=O)[O-])cc3cccnc32)C1 ZINC001229344216 1097301857 /nfs/dbraw/zinc/30/18/57/1097301857.db2.gz SNNNOXIXDVZNKU-CQSZACIVSA-N 1 1 301.346 3.005 20 5 DGBDMO Cc1cc(O[C@H]2[C@@H]3CCC[C@H]2C[N@H+](C)C3)cc(C)c1[N+](=O)[O-] ZINC001229470373 1097326773 /nfs/dbraw/zinc/32/67/73/1097326773.db2.gz PKUDYEUPDZSKSL-HALDLXJZSA-N 1 1 304.390 3.321 20 5 DGBDMO C[C@H](Cc1ccc([N+](=O)[O-])cc1)[N@H+]1CCC[C@](C)(O)[C@H](C)C1 ZINC001173221671 1097372390 /nfs/dbraw/zinc/37/23/90/1097372390.db2.gz LFJBQJLDOGSVAW-CPUCHLNUSA-N 1 1 306.406 3.009 20 5 DGBDMO C[C@H](Cc1ccc([N+](=O)[O-])cc1)[N@H+]1CCC(=O)[C@@H]2CCCC[C@H]21 ZINC001173225495 1097375339 /nfs/dbraw/zinc/37/53/39/1097375339.db2.gz KDLZRYLCHMEJAV-KBRIMQKVSA-N 1 1 316.401 3.359 20 5 DGBDMO C[C@H](Cc1ccc([N+](=O)[O-])cc1)[N@H+](C)CC(=O)c1ccccc1 ZINC001173230200 1097375760 /nfs/dbraw/zinc/37/57/60/1097375760.db2.gz CPVUUINSLSRUBC-CQSZACIVSA-N 1 1 312.369 3.341 20 5 DGBDMO C[C@H](Cc1ccc([N+](=O)[O-])cc1)[N@@H+](C)CC(=O)c1ccccc1 ZINC001173230200 1097375764 /nfs/dbraw/zinc/37/57/64/1097375764.db2.gz CPVUUINSLSRUBC-CQSZACIVSA-N 1 1 312.369 3.341 20 5 DGBDMO C[C@@H](Cc1ccc([N+](=O)[O-])cc1)[N@H+]1CCC[C@H]1c1cnccn1 ZINC001173227867 1097376507 /nfs/dbraw/zinc/37/65/07/1097376507.db2.gz SEYZHOMCCWVYMY-GUYCJALGSA-N 1 1 312.373 3.153 20 5 DGBDMO CC(C)[N@@H+]([C@@H](C)Cc1ccc([N+](=O)[O-])cc1)C1CCOCC1 ZINC001173238392 1097394255 /nfs/dbraw/zinc/39/42/55/1097394255.db2.gz RDIBEKKGKFRCFL-AWEZNQCLSA-N 1 1 306.406 3.415 20 5 DGBDMO C[N@H+]1CCC[C@@H](Oc2cc([N+](=O)[O-])cc(C(F)(F)F)c2)C1 ZINC001229830421 1097395095 /nfs/dbraw/zinc/39/50/95/1097395095.db2.gz CHTORZMXLQKZJQ-LLVKDONJSA-N 1 1 304.268 3.087 20 5 DGBDMO CC[N@H+]1CC[C@H](Oc2cc([N+](=O)[O-])cc(C(F)(F)F)c2)C1 ZINC001229832023 1097395692 /nfs/dbraw/zinc/39/56/92/1097395692.db2.gz PGCUCEBHIHMJAN-NSHDSACASA-N 1 1 304.268 3.087 20 5 DGBDMO O=[N+]([O-])c1ccc(O[C@@H]2C[NH+]3CCC2CC3)c(Cl)c1Cl ZINC001230039985 1097434510 /nfs/dbraw/zinc/43/45/10/1097434510.db2.gz IXGYBYMMXBETFE-LLVKDONJSA-N 1 1 317.172 3.375 20 5 DGBDMO CC(C)(C)[NH+]1CCC(Oc2cc3[nH]ncc3cc2[N+](=O)[O-])CC1 ZINC001230601345 1097527277 /nfs/dbraw/zinc/52/72/77/1097527277.db2.gz MMUPIHIJDDVUDE-UHFFFAOYSA-N 1 1 318.377 3.113 20 5 DGBDMO C[N@@H+]1CCC[C@H](Oc2c(Cl)cc(Cl)cc2[N+](=O)[O-])C1 ZINC001230767774 1097578841 /nfs/dbraw/zinc/57/88/41/1097578841.db2.gz CBJAMQMLWAGSOG-VIFPVBQESA-N 1 1 305.161 3.375 20 5 DGBDMO C[N@H+]1CCC[C@H](Oc2c(Cl)cc(Cl)cc2[N+](=O)[O-])C1 ZINC001230767774 1097578847 /nfs/dbraw/zinc/57/88/47/1097578847.db2.gz CBJAMQMLWAGSOG-VIFPVBQESA-N 1 1 305.161 3.375 20 5 DGBDMO CC[N@H+]1CCC[C@@H](Oc2cnc3c(cccc3[N+](=O)[O-])c2)C1 ZINC001231156755 1097684023 /nfs/dbraw/zinc/68/40/23/1097684023.db2.gz PMWVNOLSOQEJFU-CYBMUJFWSA-N 1 1 301.346 3.006 20 5 DGBDMO CC(C)[N@H+]1CC[C@H](Oc2ccc3nc4ccc(=O)cc-4oc3c2)C1 ZINC001231331072 1097724319 /nfs/dbraw/zinc/72/43/19/1097724319.db2.gz FBZYHXHTKVUSEW-HNNXBMFYSA-N 1 1 324.380 3.154 20 5 DGBDMO OC[C@H]1CCC[N@@H+](Cc2ccc3ccc4cccnc4c3n2)CC1 ZINC001232218017 1097969812 /nfs/dbraw/zinc/96/98/12/1097969812.db2.gz CNYYNODDRPKXKX-HNNXBMFYSA-N 1 1 321.424 3.377 20 5 DGBDMO C[C@@H]1CC[N@@H+](Cc2ccc3ccc4cccnc4c3n2)C[C@]1(C)O ZINC001232219537 1097971536 /nfs/dbraw/zinc/97/15/36/1097971536.db2.gz VFKLDUKMYDCZSN-VLIAUNLRSA-N 1 1 321.424 3.376 20 5 DGBDMO C[C@H]1CC[C@@H](CO)C[N@H+]1Cc1ccc2ccc3cccnc3c2n1 ZINC001232219091 1097972189 /nfs/dbraw/zinc/97/21/89/1097972189.db2.gz QNBMLIHRCRXTGS-LSDHHAIUSA-N 1 1 321.424 3.376 20 5 DGBDMO CC[N@H+]1C[C@@H]2C[C@H]1CN2Cc1ccc2ccc3cccnc3c2n1 ZINC001232227691 1097974915 /nfs/dbraw/zinc/97/49/15/1097974915.db2.gz LRCRPWDQKSEYAY-ROUUACIJSA-N 1 1 318.424 3.061 20 5 DGBDMO CCN1C[C@@H]2C[C@H]1C[N@@H+]2Cc1ccc2ccc3cccnc3c2n1 ZINC001232227691 1097974921 /nfs/dbraw/zinc/97/49/21/1097974921.db2.gz LRCRPWDQKSEYAY-ROUUACIJSA-N 1 1 318.424 3.061 20 5 DGBDMO CCN1C[C@@H]2C[C@H]1C[N@H+]2Cc1ccc2ccc3cccnc3c2n1 ZINC001232227691 1097974926 /nfs/dbraw/zinc/97/49/26/1097974926.db2.gz LRCRPWDQKSEYAY-ROUUACIJSA-N 1 1 318.424 3.061 20 5 DGBDMO O=[N+]([O-])c1ccc(Cl)cc1C[N@@H+]1CC[C@H](c2ncccn2)C1 ZINC001176523802 1098375721 /nfs/dbraw/zinc/37/57/21/1098375721.db2.gz IDRPZQAZFMAHCP-NSHDSACASA-N 1 1 318.764 3.028 20 5 DGBDMO O=[N+]([O-])c1ccc(Cl)cc1C[N@H+]1CC[C@H](c2ncccn2)C1 ZINC001176523802 1098375727 /nfs/dbraw/zinc/37/57/27/1098375727.db2.gz IDRPZQAZFMAHCP-NSHDSACASA-N 1 1 318.764 3.028 20 5 DGBDMO Cc1ccc(C[N@H+]2CCCC[C@]23CCCOC3)cc1[N+](=O)[O-] ZINC001177015963 1098462895 /nfs/dbraw/zinc/46/28/95/1098462895.db2.gz UKLUQVKXFNKJMM-QGZVFWFLSA-N 1 1 304.390 3.438 20 5 DGBDMO CC(C)[N@H+]1CCC[C@H](Oc2nccc3c2cccc3[N+](=O)[O-])C1 ZINC001234675968 1098643187 /nfs/dbraw/zinc/64/31/87/1098643187.db2.gz GWHOKHNYUZRWEJ-ZDUSSCGKSA-N 1 1 315.373 3.395 20 5 DGBDMO C[N@H+](Cc1c2ccccc2cc2ccccc21)C[C@H]1COCCN1 ZINC001235962665 1099293347 /nfs/dbraw/zinc/29/33/47/1099293347.db2.gz NZGPPWZAGJDDGK-SFHVURJKSA-N 1 1 320.436 3.413 20 5 DGBDMO CC[C@@H](CSc1ccccc1[N+](=O)[O-])NCC[C@@H](C)[NH2+]C ZINC001326034836 1103188795 /nfs/dbraw/zinc/18/87/95/1103188795.db2.gz APCFVEHMRUAEQQ-OLZOCXBDSA-N 1 1 311.451 3.053 20 5 DGBDMO C[NH2+][C@H](C)CCNCc1ccc(-c2ccccc2[N+](=O)[O-])s1 ZINC001326075889 1103201825 /nfs/dbraw/zinc/20/18/25/1103201825.db2.gz MRIQIEMHNDQQJK-GFCCVEGCSA-N 1 1 319.430 3.411 20 5 DGBDMO CC[N@H+]1CCC[C@H](CNc2nccc3cc([N+](=O)[O-])ccc32)C1 ZINC001329976436 1104442305 /nfs/dbraw/zinc/44/23/05/1104442305.db2.gz MQCAIBSSFHHVJG-CYBMUJFWSA-N 1 1 314.389 3.287 20 5 DGBDMO C[NH+](C)Cc1ccc2nc(-c3ccc([N+](=O)[O-])c(F)c3)[nH]c2c1 ZINC001250780609 1105582093 /nfs/dbraw/zinc/58/20/93/1105582093.db2.gz CWZDYPJOGDMLHP-UHFFFAOYSA-N 1 1 314.320 3.339 20 5 DGBDMO C[C@H](Cc1ccccc1[N+](=O)[O-])[N@H+]1CC[C@@H](C)[C@](C)(O)CC1 ZINC001254551853 1106101130 /nfs/dbraw/zinc/10/11/30/1106101130.db2.gz GKRHRNBCUJGBOV-CKEIUWERSA-N 1 1 306.406 3.009 20 5 DGBDMO C[C@H](Cc1ccccc1[N+](=O)[O-])[N@H+]1CC[C@H](c2ccccn2)C1 ZINC001254562363 1106104067 /nfs/dbraw/zinc/10/40/67/1106104067.db2.gz KXCDXWXAWKVNBR-ZBFHGGJFSA-N 1 1 311.385 3.410 20 5 DGBDMO C[C@@H](Cc1ccccc1[N+](=O)[O-])[N@H+]1CCc2ncsc2C1 ZINC001254560047 1106104460 /nfs/dbraw/zinc/10/44/60/1106104460.db2.gz OTGAQZXTHDDIDQ-NSHDSACASA-N 1 1 303.387 3.041 20 5 DGBDMO C[C@@H](Cc1ccccc1[N+](=O)[O-])[N@H+]1CCC[C@H]1c1cnccn1 ZINC001254562606 1106104494 /nfs/dbraw/zinc/10/44/94/1106104494.db2.gz NZXDGRSETRUMBH-GUYCJALGSA-N 1 1 312.373 3.153 20 5 DGBDMO CC1(C)CC([NH3+])CC(C)(C)N1[C@@H]1Cc2ccc([N+](=O)[O-])cc2C1 ZINC001254581001 1106108586 /nfs/dbraw/zinc/10/85/86/1106108586.db2.gz HOWKRRAGROBUTE-MRXNPFEDSA-N 1 1 317.433 3.042 20 5 DGBDMO O=[N+]([O-])c1ccc2c(c1)C[C@H]([N@H+]1CCC[C@H]1c1nccs1)C2 ZINC001254604895 1106111559 /nfs/dbraw/zinc/11/15/59/1106111559.db2.gz YFMFRGZLMOFICN-CABCVRRESA-N 1 1 315.398 3.356 20 5 DGBDMO C[N@@H+](Cc1ccc(F)cc1F)[C@@H]1Cc2ccc([N+](=O)[O-])cc2C1 ZINC001254607738 1106112506 /nfs/dbraw/zinc/11/25/06/1106112506.db2.gz MTMDTAIXHORPCT-MRXNPFEDSA-N 1 1 318.323 3.472 20 5 DGBDMO CS[C@H]1CC[C@H]([N@@H+](C)Cc2nc3cc([N+](=O)[O-])ccc3[nH]2)C1 ZINC001320814035 1107146688 /nfs/dbraw/zinc/14/66/88/1107146688.db2.gz JLSOJNQIQAAZMM-JQWIXIFHSA-N 1 1 320.418 3.187 20 5 DGBDMO O=[N+]([O-])c1ccc2c(c1)C[N@@H+](CCCc1ccc3c(c1)CCO3)C2 ZINC001321118814 1107255499 /nfs/dbraw/zinc/25/54/99/1107255499.db2.gz UCVSNPCUDPNKCN-UHFFFAOYSA-N 1 1 324.380 3.478 20 5 DGBDMO O=[N+]([O-])c1ccc2c(c1)C[N@H+](CCCc1ccc3c(c1)CCO3)C2 ZINC001321118814 1107255507 /nfs/dbraw/zinc/25/55/07/1107255507.db2.gz UCVSNPCUDPNKCN-UHFFFAOYSA-N 1 1 324.380 3.478 20 5 DGBDMO CN(C)[C@H]1CCCC[C@H]1[NH2+]Cc1ccc([N+](=O)[O-])c(Cl)c1 ZINC001321635724 1107399610 /nfs/dbraw/zinc/39/96/10/1107399610.db2.gz GTBUALKMGGUZIT-HIFRSBDPSA-N 1 1 311.813 3.211 20 5 DGBDMO O=[N+]([O-])c1cnc(N2CCC[C@H](c3[nH]cc[nH+]3)C2)c2ccccc21 ZINC001262058815 1107599258 /nfs/dbraw/zinc/59/92/58/1107599258.db2.gz ILBYSKPEWLMLPT-LBPRGKRZSA-N 1 1 323.356 3.250 20 5 DGBDMO Cc1cc(C)c(C[S@@](=O)c2cccc([N+](=O)[O-])c2)c(C)[nH+]1 ZINC001262166798 1107635582 /nfs/dbraw/zinc/63/55/82/1107635582.db2.gz OZOBYOQPAQLLRL-OAQYLSRUSA-N 1 1 304.371 3.223 20 5 DGBDMO CC[N@H+](Cc1ccccc1F)C[C@H](O)c1cccc([N+](=O)[O-])c1 ZINC001322885078 1107774326 /nfs/dbraw/zinc/77/43/26/1107774326.db2.gz GARVIHLYHXTVIZ-KRWDZBQOSA-N 1 1 318.348 3.289 20 5 DGBDMO COc1ccc([N+](=O)[O-])cc1C[N@@H+](C)[C@H]1CC[C@@H](SC)C1 ZINC001318790488 1108198501 /nfs/dbraw/zinc/19/85/01/1108198501.db2.gz DEFSHHZZWREBCB-GXTWGEPZSA-N 1 1 310.419 3.319 20 5 DGBDMO CSc1ccc([N+](=O)[O-])c(C(=O)Nc2cc(C)[nH+]c(C)c2)c1 ZINC001319179698 1108352968 /nfs/dbraw/zinc/35/29/68/1108352968.db2.gz IMGKIHPMCYKTBK-UHFFFAOYSA-N 1 1 317.370 3.003 20 5 DGBDMO COC(=O)CC(C)(C)[N@@H+](C)Cc1cc(Cl)ccc1[N+](=O)[O-] ZINC001319401227 1108447424 /nfs/dbraw/zinc/44/74/24/1108447424.db2.gz WWSKPRFXMKRTTR-UHFFFAOYSA-N 1 1 314.769 3.022 20 5 DGBDMO C[C@H]1CCSCC[N@H+]1CCCOc1ccc([N+](=O)[O-])cc1 ZINC001307739767 1111334333 /nfs/dbraw/zinc/33/43/33/1111334333.db2.gz GMVRNHZKJWHJOB-ZDUSSCGKSA-N 1 1 310.419 3.191 20 5 DGBDMO Cc1ncc([N+](=O)[O-])n1CC[N@H+](C)[C@@H]1CCC[C@H]1C(C)(C)C ZINC001307854825 1111347275 /nfs/dbraw/zinc/34/72/75/1111347275.db2.gz XAQWWPVRLQWGDZ-ZIAGYGMSSA-N 1 1 308.426 3.246 20 5 DGBDMO COC[C@@H]1CCCC[N@@H+](Cc2c(C)ccc([N+](=O)[O-])c2C)C1 ZINC001308664861 1111457423 /nfs/dbraw/zinc/45/74/23/1111457423.db2.gz BFOBSJASZPXUHU-OAHLLOKOSA-N 1 1 306.406 3.460 20 5 DGBDMO C[N@@H+](CCc1cccc([N+](=O)[O-])c1)Cc1cc2cccnc2o1 ZINC001308712734 1111465369 /nfs/dbraw/zinc/46/53/69/1111465369.db2.gz RXNRDFWWYYNAAY-UHFFFAOYSA-N 1 1 311.341 3.411 20 5 DGBDMO CC1(C)CC[N@@H+](CCNCc2ccc([N+](=O)[O-])cc2Cl)C1 ZINC001308975449 1111502873 /nfs/dbraw/zinc/50/28/73/1111502873.db2.gz UCIFADYFYAYBME-UHFFFAOYSA-N 1 1 311.813 3.070 20 5 DGBDMO CC1(C)CCN(CC[NH2+]Cc2ccc([N+](=O)[O-])cc2Cl)C1 ZINC001308975449 1111502877 /nfs/dbraw/zinc/50/28/77/1111502877.db2.gz UCIFADYFYAYBME-UHFFFAOYSA-N 1 1 311.813 3.070 20 5 DGBDMO CCC(CC)[C@@H](C[NH2+]Cc1cccc([N+](=O)[O-])c1C)N(C)C ZINC001620714459 1193794285 /nfs/dbraw/zinc/79/42/85/1193794285.db2.gz QLFKXDNUHGOYSN-QGZVFWFLSA-N 1 1 307.438 3.359 20 5 DGBDMO C[C@@H](Nc1ncccc1[N+](=O)[O-])[C@H]1CCC[N@H+](C2CCC2)C1 ZINC000272850707 210247909 /nfs/dbraw/zinc/24/79/09/210247909.db2.gz HHJPDOPRWCAIFU-OLZOCXBDSA-N 1 1 304.394 3.055 20 5 DGBDMO C[C@H]1[C@H](Nc2ncccc2[N+](=O)[O-])CC[N@H+]1Cc1ccccc1 ZINC000309927017 231106488 /nfs/dbraw/zinc/10/64/88/231106488.db2.gz XQALUTNZAQIOQO-DZGCQCFKSA-N 1 1 312.373 3.065 20 5 DGBDMO Cc1c(C[N@H+]2CCC[C@@H]2[C@@H]2CCC[C@H]2O)cccc1[N+](=O)[O-] ZINC000319368374 231184288 /nfs/dbraw/zinc/18/42/88/231184288.db2.gz YKJBJCVJCWKCOG-USXIJHARSA-N 1 1 304.390 3.029 20 5 DGBDMO O=[N+]([O-])c1ccccc1C[NH2+][C@@H](CCO)c1ccc(Cl)cc1 ZINC000286660934 219110318 /nfs/dbraw/zinc/11/03/18/219110318.db2.gz ASFHODKYBNOTNB-HNNXBMFYSA-N 1 1 320.776 3.462 20 5 DGBDMO C[N@@H+](CCn1cc([N+](=O)[O-])cn1)[C@H]1CCC[C@H]1c1ccccc1 ZINC000297461570 529939900 /nfs/dbraw/zinc/93/99/00/529939900.db2.gz IBDDQBPAROAYMD-IRXDYDNUSA-N 1 1 314.389 3.059 20 5 DGBDMO C[N@H+]1CCC[C@@H](CNc2ccc([N+](=O)[O-])cc2C(F)(F)F)C1 ZINC000301084474 530055161 /nfs/dbraw/zinc/05/51/61/530055161.db2.gz DGULWPLKNRHQIF-JTQLQIEISA-N 1 1 317.311 3.367 20 5 DGBDMO C[C@H](O)C[C@H]1CCCC[N@H+]1Cc1ccc(Cl)c([N+](=O)[O-])c1 ZINC000279818881 215172368 /nfs/dbraw/zinc/17/23/68/215172368.db2.gz QIZAQWPDDDJZOW-WCQYABFASA-N 1 1 312.797 3.374 20 5 DGBDMO Cc1c([C@H](C)NC[C@H]2CC[N@@H+](C3CC3)C2)cccc1[N+](=O)[O-] ZINC000152428049 186071629 /nfs/dbraw/zinc/07/16/29/186071629.db2.gz CRBMGMQMYRQPCZ-UONOGXRCSA-N 1 1 303.406 3.038 20 5 DGBDMO Cc1c([C@H](C)NC[C@H]2CC[N@H+](C3CC3)C2)cccc1[N+](=O)[O-] ZINC000152428049 186071631 /nfs/dbraw/zinc/07/16/31/186071631.db2.gz CRBMGMQMYRQPCZ-UONOGXRCSA-N 1 1 303.406 3.038 20 5 DGBDMO O=[N+]([O-])c1ccc(C[NH+]2CCC([C@@H]3CCCO3)CC2)c(F)c1 ZINC000275873703 186451782 /nfs/dbraw/zinc/45/17/82/186451782.db2.gz OSMRZFXTSULDHL-INIZCTEOSA-N 1 1 308.353 3.125 20 5 DGBDMO Cc1nccn1CCC[N@H+](C)Cc1ccc(Cl)cc1[N+](=O)[O-] ZINC000130793990 432029278 /nfs/dbraw/zinc/02/92/78/432029278.db2.gz ZUCGUSQLFQIFAC-UHFFFAOYSA-N 1 1 322.796 3.275 20 5 DGBDMO CC[C@@]1(C)CCC[N@H+](CC(=O)Nc2ccccc2[N+](=O)[O-])C1 ZINC000072802991 191229652 /nfs/dbraw/zinc/22/96/52/191229652.db2.gz WHBWRZUZWAAOHP-INIZCTEOSA-N 1 1 305.378 3.045 20 5 DGBDMO CC[C@@]1(C)CCC[N@@H+](CC(=O)Nc2ccccc2[N+](=O)[O-])C1 ZINC000072802991 191229655 /nfs/dbraw/zinc/22/96/55/191229655.db2.gz WHBWRZUZWAAOHP-INIZCTEOSA-N 1 1 305.378 3.045 20 5 DGBDMO CCC[N@H+](Cc1nnc(-c2ccc([N+](=O)[O-])cc2)o1)CC1CC1 ZINC000072950276 191255164 /nfs/dbraw/zinc/25/51/64/191255164.db2.gz JGGOWAIGILBNCX-UHFFFAOYSA-N 1 1 316.361 3.267 20 5 DGBDMO O=[N+]([O-])c1ccc(C[N@@H+](C[C@H]2CCOC2)C2CC2)c(Cl)c1 ZINC000182057768 199380250 /nfs/dbraw/zinc/38/02/50/199380250.db2.gz BGKNALAAZWHZPR-LLVKDONJSA-N 1 1 310.781 3.249 20 5 DGBDMO CC[C@@H]([NH2+]Cc1ccc(OC)c([N+](=O)[O-])c1)c1nccs1 ZINC000080278292 192019810 /nfs/dbraw/zinc/01/98/10/192019810.db2.gz DNCLLUBEWXFWOQ-LLVKDONJSA-N 1 1 307.375 3.301 20 5 DGBDMO COc1ccc(C[N@H+]2CCCC[C@@H](SC)C2)cc1[N+](=O)[O-] ZINC000134579915 432079655 /nfs/dbraw/zinc/07/96/55/432079655.db2.gz UBPLMXDGPPFGNN-CYBMUJFWSA-N 1 1 310.419 3.321 20 5 DGBDMO CC[C@@H](C)[N@@H+](C)Cc1cc(OC)c(OC(F)F)cc1[N+](=O)[O-] ZINC000170915851 432087139 /nfs/dbraw/zinc/08/71/39/432087139.db2.gz QRGJZEVMYJVXEA-SECBINFHSA-N 1 1 318.320 3.435 20 5 DGBDMO COc1cc([N+](=O)[O-])ccc1C[N@H+](Cc1cccnc1)C(C)C ZINC000430214404 238071223 /nfs/dbraw/zinc/07/12/23/238071223.db2.gz YZLRXZDQZPLCEC-UHFFFAOYSA-N 1 1 315.373 3.409 20 5 DGBDMO COc1cc([N+](=O)[O-])ccc1C[N@@H+](Cc1cccnc1)C(C)C ZINC000430214404 238071224 /nfs/dbraw/zinc/07/12/24/238071224.db2.gz YZLRXZDQZPLCEC-UHFFFAOYSA-N 1 1 315.373 3.409 20 5 DGBDMO Cc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@H+](C)[C@H]1CC[C@H](C)C1 ZINC000429584354 238056610 /nfs/dbraw/zinc/05/66/10/238056610.db2.gz DTDNTGCHQOHHOC-JSGCOSHPSA-N 1 1 319.405 3.352 20 5 DGBDMO Cc1ccncc1CCC[N@H+]1CCc2ccc([N+](=O)[O-])cc2C1 ZINC000429841029 238061859 /nfs/dbraw/zinc/06/18/59/238061859.db2.gz QBDOPEQNLKTPBI-UHFFFAOYSA-N 1 1 311.385 3.289 20 5 DGBDMO COc1cc([N+](=O)[O-])ccc1C[N@@H+](C)CCc1cccs1 ZINC000430224868 238071745 /nfs/dbraw/zinc/07/17/45/238071745.db2.gz KGBKNBRJYAQMRT-UHFFFAOYSA-N 1 1 306.387 3.339 20 5 DGBDMO O=[N+]([O-])c1ccccc1/C=C\CNC[C@@H]1CCCC[N@@H+]1C1CC1 ZINC000434797409 238246415 /nfs/dbraw/zinc/24/64/15/238246415.db2.gz YAGDSBMHORBZNZ-WVRJYTFGSA-N 1 1 315.417 3.215 20 5 DGBDMO O=[N+]([O-])c1ccccc1/C=C\CNC[C@@H]1CCCC[N@H+]1C1CC1 ZINC000434797409 238246418 /nfs/dbraw/zinc/24/64/18/238246418.db2.gz YAGDSBMHORBZNZ-WVRJYTFGSA-N 1 1 315.417 3.215 20 5 DGBDMO C[C@]1(CCCO)CCC[N@H+]1Cc1cc([N+](=O)[O-])ccc1Cl ZINC000271884452 209293195 /nfs/dbraw/zinc/29/31/95/209293195.db2.gz AAVJCIVSJMBNJX-OAHLLOKOSA-N 1 1 312.797 3.375 20 5 DGBDMO CC[C@H](NC[C@H]1CC[N@@H+](C2CC2)C1)c1cccc([N+](=O)[O-])c1 ZINC000193507168 201065432 /nfs/dbraw/zinc/06/54/32/201065432.db2.gz HAAIYCMPDPDLNL-DYVFJYSZSA-N 1 1 303.406 3.120 20 5 DGBDMO CC[C@H](NC[C@H]1CC[N@H+](C2CC2)C1)c1cccc([N+](=O)[O-])c1 ZINC000193507168 201065435 /nfs/dbraw/zinc/06/54/35/201065435.db2.gz HAAIYCMPDPDLNL-DYVFJYSZSA-N 1 1 303.406 3.120 20 5 DGBDMO CC[C@H]([NH2+]C[C@H]1CCN(C2CC2)C1)c1cccc([N+](=O)[O-])c1 ZINC000193507168 201065438 /nfs/dbraw/zinc/06/54/38/201065438.db2.gz HAAIYCMPDPDLNL-DYVFJYSZSA-N 1 1 303.406 3.120 20 5 DGBDMO COc1ccc(OCC[N@H+]2CCC[C@@H]2C(C)C)c([N+](=O)[O-])c1 ZINC000441226859 239022543 /nfs/dbraw/zinc/02/25/43/239022543.db2.gz GQYDLSCWRIWLFC-CQSZACIVSA-N 1 1 308.378 3.103 20 5 DGBDMO COc1ccc(OCC[N@H+]2CCC[C@@H](C)[C@@H]2C)c([N+](=O)[O-])c1 ZINC000441444557 239051633 /nfs/dbraw/zinc/05/16/33/239051633.db2.gz DOVUQHVNYUTIKD-OLZOCXBDSA-N 1 1 308.378 3.103 20 5 DGBDMO COc1ccc(OCC[N@H+]2CCC[C@H](C)[C@@H]2C)c([N+](=O)[O-])c1 ZINC000441444563 239053134 /nfs/dbraw/zinc/05/31/34/239053134.db2.gz DOVUQHVNYUTIKD-STQMWFEESA-N 1 1 308.378 3.103 20 5 DGBDMO COc1ccc(OCC[N@H+]2C[C@H](C)CCC[C@H]2C)c([N+](=O)[O-])c1 ZINC000441448130 239053173 /nfs/dbraw/zinc/05/31/73/239053173.db2.gz OKBZJKMWSJHJDA-ZIAGYGMSSA-N 1 1 322.405 3.493 20 5 DGBDMO COc1ccc(OCC[N@H+]2CCC[C@H]3CCC[C@H]32)c([N+](=O)[O-])c1 ZINC000441451916 239055489 /nfs/dbraw/zinc/05/54/89/239055489.db2.gz OJXSABLYARKABQ-UKRRQHHQSA-N 1 1 320.389 3.247 20 5 DGBDMO O=[N+]([O-])c1ccc(C[N@@H+](CCC2CCOCC2)C2CC2)cc1 ZINC000292924702 223310916 /nfs/dbraw/zinc/31/09/16/223310916.db2.gz MAYHYAHVQJEUPK-UHFFFAOYSA-N 1 1 304.390 3.376 20 5 DGBDMO C[C@@H](Cc1ccccc1[N+](=O)[O-])[NH2+]Cc1nccc(C(F)F)n1 ZINC000449330631 240134698 /nfs/dbraw/zinc/13/46/98/240134698.db2.gz LTVSCSCCBXTQIF-JTQLQIEISA-N 1 1 322.315 3.043 20 5 DGBDMO O=[N+]([O-])c1ccc([C@H]2CCC[N@H+](Cc3nccs3)C2)cc1 ZINC000449494928 240245793 /nfs/dbraw/zinc/24/57/93/240245793.db2.gz BRBRIBQQMVICJC-ZDUSSCGKSA-N 1 1 303.387 3.431 20 5 DGBDMO O=[N+]([O-])c1ccc([C@H]2CCC[N@@H+](Cc3nccs3)C2)cc1 ZINC000449494928 240245798 /nfs/dbraw/zinc/24/57/98/240245798.db2.gz BRBRIBQQMVICJC-ZDUSSCGKSA-N 1 1 303.387 3.431 20 5 DGBDMO CC1(C)C[C@@H](O)CC[N@@H+](C/C=C\c2ccccc2[N+](=O)[O-])C1 ZINC000449619926 240322705 /nfs/dbraw/zinc/32/27/05/240322705.db2.gz RIXQVVFGJLEISB-PKYBCLHXSA-N 1 1 304.390 3.091 20 5 DGBDMO O=[N+]([O-])c1cccc2c1ccnc2N[C@@H]1CC[N@H+]2CCC[C@H]2C1 ZINC000450253999 240621160 /nfs/dbraw/zinc/62/11/60/240621160.db2.gz RMDUSONUUKVQGO-OLZOCXBDSA-N 1 1 312.373 3.182 20 5 DGBDMO Cc1nnc([C@H](C)[N@@H+]2CCC[C@@H](c3ccc([N+](=O)[O-])cc3)C2)o1 ZINC000451547193 241167042 /nfs/dbraw/zinc/16/70/42/241167042.db2.gz KMLCMNONPRHYSX-SMDDNHRTSA-N 1 1 316.361 3.227 20 5 DGBDMO Cc1nnc([C@H](C)[N@H+]2CCC[C@@H](c3ccc([N+](=O)[O-])cc3)C2)o1 ZINC000451547193 241167044 /nfs/dbraw/zinc/16/70/44/241167044.db2.gz KMLCMNONPRHYSX-SMDDNHRTSA-N 1 1 316.361 3.227 20 5 DGBDMO CC(C)OC(=O)CC[N@H+]1CCC[C@@H](c2ccc([N+](=O)[O-])cc2)C1 ZINC000451548499 241168335 /nfs/dbraw/zinc/16/83/35/241168335.db2.gz NTJKUSODFJGQTR-OAHLLOKOSA-N 1 1 320.389 3.116 20 5 DGBDMO CC(C)OC(=O)CC[N@H+]1CCC[C@H](c2ccc([N+](=O)[O-])cc2)C1 ZINC000451548498 241169137 /nfs/dbraw/zinc/16/91/37/241169137.db2.gz NTJKUSODFJGQTR-HNNXBMFYSA-N 1 1 320.389 3.116 20 5 DGBDMO COC(=O)[C@@H]1CC[N@H+]([C@H](C)c2cc([N+](=O)[O-])ccc2C)C[C@@H]1C ZINC000249068202 284068166 /nfs/dbraw/zinc/06/81/66/284068166.db2.gz KLLYXFDKUNKETO-GZBFAFLISA-N 1 1 320.389 3.095 20 5 DGBDMO CCN1CCC([N@@H+](C)C/C(C)=C\c2cccc([N+](=O)[O-])c2)CC1 ZINC000470170900 244151819 /nfs/dbraw/zinc/15/18/19/244151819.db2.gz CBFBODVBWSJQIX-QINSGFPZSA-N 1 1 317.433 3.414 20 5 DGBDMO CC[NH+]1CCC(N(C)C/C(C)=C\c2cccc([N+](=O)[O-])c2)CC1 ZINC000470170900 244151848 /nfs/dbraw/zinc/15/18/48/244151848.db2.gz CBFBODVBWSJQIX-QINSGFPZSA-N 1 1 317.433 3.414 20 5 DGBDMO C/C(=C\c1cccc([N+](=O)[O-])c1)C[N@H+]1CCOC2(CCC2)C1 ZINC000470181330 244155556 /nfs/dbraw/zinc/15/55/56/244155556.db2.gz BBYYMHAIQLJJTR-GXDHUFHOSA-N 1 1 302.374 3.253 20 5 DGBDMO CC[N@@H+](C)C[C@H]1CCN(Cc2c(Cl)cccc2[N+](=O)[O-])C1 ZINC000119290151 284139529 /nfs/dbraw/zinc/13/95/29/284139529.db2.gz GVVXTLABVORGLX-GFCCVEGCSA-N 1 1 311.813 3.022 20 5 DGBDMO Cc1ccc(CN(C)CC[C@@H]2CCCC[N@H+]2C)cc1[N+](=O)[O-] ZINC000093659988 193285193 /nfs/dbraw/zinc/28/51/93/193285193.db2.gz CTSWSKPFAHRGDT-INIZCTEOSA-N 1 1 305.422 3.209 20 5 DGBDMO CC(C)[C@H](C[NH2+][C@@H](C)c1cccc([N+](=O)[O-])c1)N1CCCC1 ZINC000120731982 284177407 /nfs/dbraw/zinc/17/74/07/284177407.db2.gz LGTGZVCEVYIIQN-YOEHRIQHSA-N 1 1 305.422 3.366 20 5 DGBDMO COCC[N@@H+](Cc1ccc(OC)c([N+](=O)[O-])c1)[C@H]1CCC[C@H]1C ZINC000488062779 245141496 /nfs/dbraw/zinc/14/14/96/245141496.db2.gz OTCVHTXPPZYQFR-HIFRSBDPSA-N 1 1 322.405 3.240 20 5 DGBDMO COC(=O)c1coc([C@@H](C)[NH2+][C@H](C)c2cccc([N+](=O)[O-])c2)c1 ZINC000278168293 214000300 /nfs/dbraw/zinc/00/03/00/214000300.db2.gz CENFCOBHLRKGGQ-GHMZBOCLSA-N 1 1 318.329 3.386 20 5 DGBDMO C[N@@H+](CCCC1CCOCC1)CCc1cccc([N+](=O)[O-])c1 ZINC000282479628 217026880 /nfs/dbraw/zinc/02/68/80/217026880.db2.gz OQWSAEFRKUVASE-UHFFFAOYSA-N 1 1 306.406 3.276 20 5 DGBDMO C[C@@H]1CCC[N@@H+](Cc2nc(-c3cccc([N+](=O)[O-])c3)no2)[C@H]1C ZINC000246480074 432136951 /nfs/dbraw/zinc/13/69/51/432136951.db2.gz ACFXWADBRUOYOQ-NEPJUHHUSA-N 1 1 316.361 3.265 20 5 DGBDMO CC(C)Oc1ccc([N+](=O)[O-])cc1C[N@@H+](C)[C@H]1CCSC1 ZINC000119961377 195071068 /nfs/dbraw/zinc/07/10/68/195071068.db2.gz JEBSZKCFKRRKEL-AWEZNQCLSA-N 1 1 310.419 3.319 20 5 DGBDMO COc1ccc(OCC[N@@H+](C)CC2CCCC2)c([N+](=O)[O-])c1 ZINC000441525515 533014381 /nfs/dbraw/zinc/01/43/81/533014381.db2.gz POTRBIJAGTZEKO-UHFFFAOYSA-N 1 1 308.378 3.104 20 5 DGBDMO COc1cc(NCC[N@H+]2CCCC(C)(C)C2)ccc1[N+](=O)[O-] ZINC000443961346 533028084 /nfs/dbraw/zinc/02/80/84/533028084.db2.gz KZMJRYVYRNMGOZ-UHFFFAOYSA-N 1 1 307.394 3.137 20 5 DGBDMO C[C@H]1CCC[C@@H]([N@@H+](C)CCC(=O)Nc2ccccc2[N+](=O)[O-])C1 ZINC000336999645 253033992 /nfs/dbraw/zinc/03/39/92/253033992.db2.gz RFOBTPGIPKQPHT-UONOGXRCSA-N 1 1 319.405 3.434 20 5 DGBDMO C[C@@H]1CCC[C@H](C)C[N@@H+]1CCC(=O)Nc1ccccc1[N+](=O)[O-] ZINC000337256270 253071202 /nfs/dbraw/zinc/07/12/02/253071202.db2.gz SFXVDVBCUTZPCG-UONOGXRCSA-N 1 1 319.405 3.434 20 5 DGBDMO CC(C)[C@H]1CCCC[N@H+]1CCC(=O)Nc1ccccc1[N+](=O)[O-] ZINC000337258617 253071870 /nfs/dbraw/zinc/07/18/70/253071870.db2.gz VGABUXUHBYKPLH-OAHLLOKOSA-N 1 1 319.405 3.434 20 5 DGBDMO C[C@H]1C[C@@]1([NH2+]Cc1c([N+](=O)[O-])ncn1C)c1ccc(Cl)cc1 ZINC000337499261 253128064 /nfs/dbraw/zinc/12/80/64/253128064.db2.gz ULUIGTAISZRLKW-BONVTDFDSA-N 1 1 320.780 3.007 20 5 DGBDMO O=[N+]([O-])c1ccc(CC[N@H+]2CCS[C@@H]3CCCC[C@@H]32)cc1 ZINC000437541709 285111302 /nfs/dbraw/zinc/11/13/02/285111302.db2.gz XMWMXJROHSYCJC-JKSUJKDBSA-N 1 1 306.431 3.497 20 5 DGBDMO Cc1cc(NC[C@@H]2CC[N@H+](C)C2)c([N+](=O)[O-])cc1C(F)(F)F ZINC000338664476 253329937 /nfs/dbraw/zinc/32/99/37/253329937.db2.gz NIHHCYNOUHRJHE-JTQLQIEISA-N 1 1 317.311 3.286 20 5 DGBDMO CCC[C@@]1(CO)CC[N@H+]([C@H](C)c2cc([N+](=O)[O-])ccc2C)C1 ZINC000288671815 220337108 /nfs/dbraw/zinc/33/71/08/220337108.db2.gz CGTQAHWNXZTHTF-RHSMWYFYSA-N 1 1 306.406 3.449 20 5 DGBDMO O=[N+]([O-])c1ccc(N[C@@H]2CC[N@@H+](C/C=C\c3ccccc3)C2)nc1 ZINC000255470869 285157087 /nfs/dbraw/zinc/15/70/87/285157087.db2.gz PQJWJDSDHZHVPB-HQQUCIOCSA-N 1 1 324.384 3.189 20 5 DGBDMO C[C@H]1[C@@H](Nc2ccc([N+](=O)[O-])c3cccnc23)CCC[N@H+]1C ZINC000343476881 254149590 /nfs/dbraw/zinc/14/95/90/254149590.db2.gz OLJBYVQUZQMJRD-AAEUAGOBSA-N 1 1 300.362 3.038 20 5 DGBDMO CN(CCC[N@@H+](C)Cc1ccco1)c1c(F)cccc1[N+](=O)[O-] ZINC000343803925 254190700 /nfs/dbraw/zinc/19/07/00/254190700.db2.gz GQZHYACSGZKGCX-UHFFFAOYSA-N 1 1 321.352 3.285 20 5 DGBDMO COc1cc(C[N@H+]2CCC[C@@H](C3CC3)C2)c([N+](=O)[O-])cc1F ZINC000343956436 254205866 /nfs/dbraw/zinc/20/58/66/254205866.db2.gz DSKMJTMKWWSDMZ-GFCCVEGCSA-N 1 1 308.353 3.365 20 5 DGBDMO C[C@H]1C[N@@H+](CCC(=O)Nc2ccc([N+](=O)[O-])cc2)CC(C)(C)C1 ZINC000344028225 254215518 /nfs/dbraw/zinc/21/55/18/254215518.db2.gz MNCWXDGWZNHBGY-CYBMUJFWSA-N 1 1 319.405 3.291 20 5 DGBDMO O=C(CC[N@H+]1CCC[C@@H](C2CC2)C1)Nc1ccc([N+](=O)[O-])cc1 ZINC000344114092 254227367 /nfs/dbraw/zinc/22/73/67/254227367.db2.gz RYLKDHHUVKWHRY-CQSZACIVSA-N 1 1 317.389 3.045 20 5 DGBDMO CC[C@@]1(C)CC[N@H+]([C@H](C)C(=O)Nc2cccc([N+](=O)[O-])c2)C1 ZINC000344214667 254240530 /nfs/dbraw/zinc/24/05/30/254240530.db2.gz CCNRKXOSPKTDGW-WBMJQRKESA-N 1 1 305.378 3.044 20 5 DGBDMO CC(C)c1nnc(C[NH2+]C/C=C/c2ccccc2[N+](=O)[O-])s1 ZINC000344634593 254291345 /nfs/dbraw/zinc/29/13/45/254291345.db2.gz ZBMSWEVNHBLDJD-FNORWQNLSA-N 1 1 318.402 3.373 20 5 DGBDMO CC[C@H](Cc1ccccc1)[N@@H+](CC)CCn1cc([N+](=O)[O-])cn1 ZINC000120519421 195182929 /nfs/dbraw/zinc/18/29/29/195182929.db2.gz RGYQAKFVRPDKQG-MRXNPFEDSA-N 1 1 316.405 3.135 20 5 DGBDMO CC(C)[N@@H+](Cc1ccc(C(N)=O)cc1[N+](=O)[O-])C1CCCCC1 ZINC000120840790 195247850 /nfs/dbraw/zinc/24/78/50/195247850.db2.gz OJDFVFMNZBADAB-UHFFFAOYSA-N 1 1 319.405 3.237 20 5 DGBDMO Cc1c(C[N@H+]2CC3(CCC3)[C@H]2[C@@H]2CCCO2)cccc1[N+](=O)[O-] ZINC000289480027 221004673 /nfs/dbraw/zinc/00/46/73/221004673.db2.gz IEGFXPLJSZLMJI-DLBZAZTESA-N 1 1 316.401 3.437 20 5 DGBDMO O=[N+]([O-])c1cccc(C[N@@H+]2CC3(CCC3)[C@H]2[C@H]2CCCO2)c1 ZINC000289749672 221200843 /nfs/dbraw/zinc/20/08/43/221200843.db2.gz YPDJWBPINSRAPN-HZPDHXFCSA-N 1 1 302.374 3.128 20 5 DGBDMO O=[N+]([O-])c1cccc(C[N@H+]2CC3(CCC3)[C@H]2[C@H]2CCCO2)c1 ZINC000289749672 221200846 /nfs/dbraw/zinc/20/08/46/221200846.db2.gz YPDJWBPINSRAPN-HZPDHXFCSA-N 1 1 302.374 3.128 20 5 DGBDMO CC[C@@H]([NH2+]Cc1ncccc1N(C)C)c1cccc([N+](=O)[O-])c1 ZINC000289765975 221210601 /nfs/dbraw/zinc/21/06/01/221210601.db2.gz LXCSARYAFUSHLT-OAHLLOKOSA-N 1 1 314.389 3.297 20 5 DGBDMO Cc1cnn([C@H]2CC[N@H+](Cc3ccc([N+](=O)[O-])cc3Cl)C2)c1 ZINC000289817955 221245509 /nfs/dbraw/zinc/24/55/09/221245509.db2.gz JCERPTCIECFJEJ-AWEZNQCLSA-N 1 1 320.780 3.200 20 5 DGBDMO Cc1cnn([C@H]2CC[N@@H+](Cc3ccc([N+](=O)[O-])cc3Cl)C2)c1 ZINC000289817955 221245511 /nfs/dbraw/zinc/24/55/11/221245511.db2.gz JCERPTCIECFJEJ-AWEZNQCLSA-N 1 1 320.780 3.200 20 5 DGBDMO C[N@@H+](Cc1cc(Cl)cc(Cl)c1[N+](=O)[O-])[C@@H]1CCC[C@H]1O ZINC000289977702 221355242 /nfs/dbraw/zinc/35/52/42/221355242.db2.gz XPZLOBGKYNQNSX-VXGBXAGGSA-N 1 1 319.188 3.247 20 5 DGBDMO C/C(=C/c1cccc([N+](=O)[O-])c1)C[N@H+](C)CC1(O)CCCC1 ZINC000470182829 533380229 /nfs/dbraw/zinc/38/02/29/533380229.db2.gz NJYVFRHINOMGCN-UVTDQMKNSA-N 1 1 304.390 3.235 20 5 DGBDMO C/C(=C/c1cccc([N+](=O)[O-])c1)C[NH2+][C@@H]1CCN(C)[C@H](C)C1 ZINC000468650665 533385193 /nfs/dbraw/zinc/38/51/93/533385193.db2.gz VFKCSVCJGLXUJR-HHFPWCGMSA-N 1 1 303.406 3.070 20 5 DGBDMO C[C@@H](Nc1ccc([N+](=O)[O-])cn1)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC000302042840 533556549 /nfs/dbraw/zinc/55/65/49/533556549.db2.gz IYSFOTBKYONBNM-OLZOCXBDSA-N 1 1 304.394 3.055 20 5 DGBDMO COc1cc([N+](=O)[O-])ccc1[C@H](C)[NH2+]Cc1cc(C)nc(C)c1 ZINC000595044629 400086770 /nfs/dbraw/zinc/08/67/70/400086770.db2.gz MTNZBOWDDNZTNX-ZDUSSCGKSA-N 1 1 315.373 3.466 20 5 DGBDMO C[C@@H](C(=O)Nc1ccccc1[N+](=O)[O-])[N@H+](C)Cc1ccccc1 ZINC000007380831 400103922 /nfs/dbraw/zinc/10/39/22/400103922.db2.gz LUKHDHCUNLTRDS-ZDUSSCGKSA-N 1 1 313.357 3.054 20 5 DGBDMO C[C@@H](C(=O)Nc1ccccc1[N+](=O)[O-])[N@@H+](C)Cc1ccccc1 ZINC000007380831 400103926 /nfs/dbraw/zinc/10/39/26/400103926.db2.gz LUKHDHCUNLTRDS-ZDUSSCGKSA-N 1 1 313.357 3.054 20 5 DGBDMO COc1ccc([C@@H]2CCC[N@@H+]2Cc2onc(C)c2[N+](=O)[O-])cc1 ZINC000595291728 400119270 /nfs/dbraw/zinc/11/92/70/400119270.db2.gz MOMQEUXOQDACPK-AWEZNQCLSA-N 1 1 317.345 3.237 20 5 DGBDMO COc1ccc([C@@H]2CCC[N@H+]2Cc2onc(C)c2[N+](=O)[O-])cc1 ZINC000595291728 400119277 /nfs/dbraw/zinc/11/92/77/400119277.db2.gz MOMQEUXOQDACPK-AWEZNQCLSA-N 1 1 317.345 3.237 20 5 DGBDMO CC1(C)C[C@@H]([N@H+]2CCC[C@@H](c3ccc([N+](=O)[O-])cc3)C2)CO1 ZINC000595525240 400177738 /nfs/dbraw/zinc/17/77/38/400177738.db2.gz QDVWJXHOUHKTIJ-GDBMZVCRSA-N 1 1 304.390 3.342 20 5 DGBDMO Cc1noc(C[N@H+]2CCC[C@@H]2CCc2ccccc2)c1[N+](=O)[O-] ZINC000595295547 400121066 /nfs/dbraw/zinc/12/10/66/400121066.db2.gz GXXCAAAFOIFEEM-OAHLLOKOSA-N 1 1 315.373 3.488 20 5 DGBDMO C[N@@H+](CCc1cccc(Nc2ccc([N+](=O)[O-])cn2)c1)C1CC1 ZINC000091632145 400129436 /nfs/dbraw/zinc/12/94/36/400129436.db2.gz CWBXMZCYDCQLGH-UHFFFAOYSA-N 1 1 312.373 3.370 20 5 DGBDMO O=[N+]([O-])c1cc(F)ccc1C[N@H+](CCCO)Cc1ccccc1 ZINC000595349231 400132727 /nfs/dbraw/zinc/13/27/27/400132727.db2.gz ARLWLZSAXFJURD-UHFFFAOYSA-N 1 1 318.348 3.119 20 5 DGBDMO O=[N+]([O-])c1cc(F)ccc1C[N@@H+](CCCO)Cc1ccccc1 ZINC000595349231 400132730 /nfs/dbraw/zinc/13/27/30/400132730.db2.gz ARLWLZSAXFJURD-UHFFFAOYSA-N 1 1 318.348 3.119 20 5 DGBDMO CC[N@@H+](CCc1nccs1)Cc1ccc(F)cc1[N+](=O)[O-] ZINC000595387608 400137761 /nfs/dbraw/zinc/13/77/61/400137761.db2.gz FJUYAOUXKCBLHV-UHFFFAOYSA-N 1 1 309.366 3.255 20 5 DGBDMO O=[N+]([O-])c1ccccc1/C=C\C[N@H+]1CCC[C@@H]1[C@@H]1CCCO1 ZINC000585767828 400139692 /nfs/dbraw/zinc/13/96/92/400139692.db2.gz GPJSJSHQFOUPGI-RZKHIIBWSA-N 1 1 302.374 3.251 20 5 DGBDMO Cc1n[nH]c(C)c1[C@@H]1CCC[N@@H+]1Cc1ccc(F)cc1[N+](=O)[O-] ZINC000595404205 400141668 /nfs/dbraw/zinc/14/16/68/400141668.db2.gz OMLKSPXTGVXATQ-AWEZNQCLSA-N 1 1 318.352 3.411 20 5 DGBDMO Cc1n[nH]c(C)c1[C@@H]1CCC[N@H+]1Cc1ccc(F)cc1[N+](=O)[O-] ZINC000595404205 400141670 /nfs/dbraw/zinc/14/16/70/400141670.db2.gz OMLKSPXTGVXATQ-AWEZNQCLSA-N 1 1 318.352 3.411 20 5 DGBDMO CO[C@@H](C[N@@H+](Cc1ccc([N+](=O)[O-])cc1)C1CC1)C1CCC1 ZINC000595411812 400143179 /nfs/dbraw/zinc/14/31/79/400143179.db2.gz NNFFYHUULMGQKX-KRWDZBQOSA-N 1 1 304.390 3.374 20 5 DGBDMO O=[N+]([O-])c1cnc2c(c1)C[N@H+](CC[C@H]1CCc3ccccc31)CC2 ZINC000595424445 400145723 /nfs/dbraw/zinc/14/57/23/400145723.db2.gz MQUDQBLXVOUNMS-OAHLLOKOSA-N 1 1 323.396 3.468 20 5 DGBDMO Cc1noc(C[N@H+]2CC[C@@H](c3ccc(C)cc3)C2)c1[N+](=O)[O-] ZINC000595427952 400146778 /nfs/dbraw/zinc/14/67/78/400146778.db2.gz VDCRCAUTBZRLIQ-CQSZACIVSA-N 1 1 301.346 3.189 20 5 DGBDMO CCC[N@@H+](CCc1cccs1)Cc1onc(C)c1[N+](=O)[O-] ZINC000595442263 400150742 /nfs/dbraw/zinc/15/07/42/400150742.db2.gz QXXAAEDQPXVZDC-UHFFFAOYSA-N 1 1 309.391 3.407 20 5 DGBDMO Cc1noc(C[NH+]2CCC(c3ccsc3)CC2)c1[N+](=O)[O-] ZINC000595448256 400153205 /nfs/dbraw/zinc/15/32/05/400153205.db2.gz KZTPQWYBJITMIM-UHFFFAOYSA-N 1 1 307.375 3.332 20 5 DGBDMO Cc1cc([N+](=O)[O-])ccc1NC(=O)C[NH+]1CCC2(CCC2)CC1 ZINC000586783120 400154870 /nfs/dbraw/zinc/15/48/70/400154870.db2.gz ZYEBNOJHFDISEF-UHFFFAOYSA-N 1 1 317.389 3.108 20 5 DGBDMO O=[N+]([O-])c1ccccc1OCC[N@H+]1CCCc2sccc2C1 ZINC000609322932 400159649 /nfs/dbraw/zinc/15/96/49/400159649.db2.gz NZPVAAIOSVSGHR-UHFFFAOYSA-N 1 1 318.398 3.484 20 5 DGBDMO O=[N+]([O-])c1cnn(CC[N@@H+]2CC3(CCCC3)[C@H]2c2ccco2)c1 ZINC000595677023 400224084 /nfs/dbraw/zinc/22/40/84/400224084.db2.gz RIHYDGSYISAHAO-OAHLLOKOSA-N 1 1 316.361 3.002 20 5 DGBDMO O=[N+]([O-])c1cnn(CC[N@H+]2CC3(CCCC3)[C@H]2c2ccco2)c1 ZINC000595677023 400224089 /nfs/dbraw/zinc/22/40/89/400224089.db2.gz RIHYDGSYISAHAO-OAHLLOKOSA-N 1 1 316.361 3.002 20 5 DGBDMO C[C@@H](CO)[C@H]1CCCC[N@H+]1Cc1ccc(Cl)cc1[N+](=O)[O-] ZINC000595676736 400224339 /nfs/dbraw/zinc/22/43/39/400224339.db2.gz NSJWEVMBANSESH-SMDDNHRTSA-N 1 1 312.797 3.231 20 5 DGBDMO C[C@@]12COC[C@]1(C)C[N@@H+](Cc1ccc([N+](=O)[O-])cc1Cl)C2 ZINC000595690969 400228411 /nfs/dbraw/zinc/22/84/11/400228411.db2.gz WXFWUKGTOKQRTK-GASCZTMLSA-N 1 1 310.781 3.107 20 5 DGBDMO C[C@@]12COC[C@]1(C)C[N@H+](Cc1ccc([N+](=O)[O-])cc1Cl)C2 ZINC000595690969 400228413 /nfs/dbraw/zinc/22/84/13/400228413.db2.gz WXFWUKGTOKQRTK-GASCZTMLSA-N 1 1 310.781 3.107 20 5 DGBDMO C[C@@H](c1ccccc1[N+](=O)[O-])[N@H+]1CCC[C@@H](c2cc[nH]n2)C1 ZINC000610248000 400229515 /nfs/dbraw/zinc/22/95/15/400229515.db2.gz BSOASNNCLPUSGK-QWHCGFSZSA-N 1 1 300.362 3.259 20 5 DGBDMO CCO[C@@H]1CCN(c2cc[nH+]c3ccc([N+](=O)[O-])cc32)C[C@@H]1C ZINC000601171814 400255908 /nfs/dbraw/zinc/25/59/08/400255908.db2.gz QKHPQWBCKWEWKD-YVEFUNNKSA-N 1 1 315.373 3.394 20 5 DGBDMO COc1ccc(C[NH2+]Cc2ccc(C)cc2F)cc1[N+](=O)[O-] ZINC000601103462 400232299 /nfs/dbraw/zinc/23/22/99/400232299.db2.gz XMDRRIXUTJJCAM-UHFFFAOYSA-N 1 1 304.321 3.341 20 5 DGBDMO CC(C)[N@@H+](CCOc1ccc([N+](=O)[O-])cc1)Cc1cccnc1 ZINC000093223983 400232403 /nfs/dbraw/zinc/23/24/03/400232403.db2.gz BBUQHZPLQJHTQZ-UHFFFAOYSA-N 1 1 315.373 3.279 20 5 DGBDMO COc1ccc(C[N@@H+](Cc2cccnc2)C(C)C)cc1[N+](=O)[O-] ZINC000093224399 400232891 /nfs/dbraw/zinc/23/28/91/400232891.db2.gz LZAMKTQYHULRLJ-UHFFFAOYSA-N 1 1 315.373 3.409 20 5 DGBDMO CCO[C@H]1CCCN(c2cc[nH+]c3ccc([N+](=O)[O-])cc32)C1 ZINC000601108188 400234475 /nfs/dbraw/zinc/23/44/75/400234475.db2.gz HXOJUJWOFWUQDJ-ZDUSSCGKSA-N 1 1 301.346 3.148 20 5 DGBDMO C[N@@H+](Cc1ccccc1)[C@H]1CCN(c2ccsc2[N+](=O)[O-])C1 ZINC000610281901 400234425 /nfs/dbraw/zinc/23/44/25/400234425.db2.gz XAYRVVWSWHHZOL-AWEZNQCLSA-N 1 1 317.414 3.367 20 5 DGBDMO O=[N+]([O-])c1cc(C(F)(F)F)ccc1N[C@@H]1CC[N@H+](C2CC2)C1 ZINC000067711430 400197286 /nfs/dbraw/zinc/19/72/86/400197286.db2.gz WBSSZDKKCUWAGF-SNVBAGLBSA-N 1 1 315.295 3.262 20 5 DGBDMO O=[N+]([O-])c1sccc1N[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000067905649 400215256 /nfs/dbraw/zinc/21/52/56/400215256.db2.gz ODRNOPKOHRAFEO-CYBMUJFWSA-N 1 1 303.387 3.343 20 5 DGBDMO O=[N+]([O-])c1ccc(C[N@@H+]2CC[C@@H](Oc3ccccc3)C2)c(F)c1 ZINC000595833154 400274741 /nfs/dbraw/zinc/27/47/41/400274741.db2.gz SNOPYXCNNVTXSG-MRXNPFEDSA-N 1 1 316.332 3.387 20 5 DGBDMO O=[N+]([O-])c1ccc(C[N@H+]2CC[C@@H](Oc3ccccc3)C2)c(F)c1 ZINC000595833154 400274745 /nfs/dbraw/zinc/27/47/45/400274745.db2.gz SNOPYXCNNVTXSG-MRXNPFEDSA-N 1 1 316.332 3.387 20 5 DGBDMO C[N@H+](Cc1ccc(-c2cccc([N+](=O)[O-])c2)o1)C[C@H](O)C1CC1 ZINC000589198260 400275172 /nfs/dbraw/zinc/27/51/72/400275172.db2.gz XLOAQHGOHVBFDG-INIZCTEOSA-N 1 1 316.357 3.058 20 5 DGBDMO O=[N+]([O-])c1ccc2[nH]c(C[N@H+]3CCC[C@H](C4CCC4)C3)nc2c1 ZINC000595837691 400277131 /nfs/dbraw/zinc/27/71/31/400277131.db2.gz RCKZPCDUJXCWGP-ZDUSSCGKSA-N 1 1 314.389 3.483 20 5 DGBDMO COCC[N@@H+](Cc1nc2cc([N+](=O)[O-])ccc2o1)C1CCCC1 ZINC000610581283 400278208 /nfs/dbraw/zinc/27/82/08/400278208.db2.gz YVPDVJSDMQSSPZ-UHFFFAOYSA-N 1 1 319.361 3.127 20 5 DGBDMO C[C@H](C(=O)Nc1ccc([N+](=O)[O-])cc1)[N@@H+]1[C@@H]2CC[C@H]1CC(C)C2 ZINC000595857998 400282410 /nfs/dbraw/zinc/28/24/10/400282410.db2.gz PYFNNZHWXSVYGI-ARQBPDDDSA-N 1 1 317.389 3.185 20 5 DGBDMO COc1cc(NC[C@H]2CCC[N@@H+](C)C2)c(Cl)cc1[N+](=O)[O-] ZINC000596121314 400323103 /nfs/dbraw/zinc/32/31/03/400323103.db2.gz ZMCAIOCRPJBISB-SNVBAGLBSA-N 1 1 313.785 3.011 20 5 DGBDMO CCC[N@@H+](CC)C[C@H](C)Nc1ncnc2ccc([N+](=O)[O-])cc21 ZINC000589608485 400309665 /nfs/dbraw/zinc/30/96/65/400309665.db2.gz IRRFHMIJYFEXRJ-LBPRGKRZSA-N 1 1 317.393 3.070 20 5 DGBDMO CCC[N@@H+](CC)C[C@H](C)NC(=O)c1ccc(CC)c([N+](=O)[O-])c1 ZINC000589631996 400311852 /nfs/dbraw/zinc/31/18/52/400311852.db2.gz CHJWIZFDODYWRZ-ZDUSSCGKSA-N 1 1 321.421 3.007 20 5 DGBDMO CC(C)[C@H]([NH3+])CCNCc1ccc(-c2ccc([N+](=O)[O-])cc2)o1 ZINC000596103459 400318839 /nfs/dbraw/zinc/31/88/39/400318839.db2.gz LHDYHYMVVIZTMH-MRXNPFEDSA-N 1 1 317.389 3.318 20 5 DGBDMO CC[C@H]1CCC[N@H+]([C@@H](C)C(=O)Nc2ccc([N+](=O)[O-])cc2)C1 ZINC000030142748 400320737 /nfs/dbraw/zinc/32/07/37/400320737.db2.gz KNDAKCYJLUCJCH-STQMWFEESA-N 1 1 305.378 3.044 20 5 DGBDMO CC(C)[C@@H](C)[N@@H+](C)CC(=O)Nc1ccc(Cl)cc1[N+](=O)[O-] ZINC000030148702 400321152 /nfs/dbraw/zinc/32/11/52/400321152.db2.gz GYLZRCBASUVIFY-SNVBAGLBSA-N 1 1 313.785 3.163 20 5 DGBDMO CC(C)[C@H]1[N@H+](Cc2cc3c(cc2[N+](=O)[O-])OCCO3)CC1(C)C ZINC000590371144 400382276 /nfs/dbraw/zinc/38/22/76/400382276.db2.gz JCWYGNRMXBMKPG-MRXNPFEDSA-N 1 1 320.389 3.232 20 5 DGBDMO CC(C)[C@H]1[N@@H+](Cc2cc3c(cc2[N+](=O)[O-])OCCO3)CC1(C)C ZINC000590371144 400382279 /nfs/dbraw/zinc/38/22/79/400382279.db2.gz JCWYGNRMXBMKPG-MRXNPFEDSA-N 1 1 320.389 3.232 20 5 DGBDMO CC[N@H+]1CCN(c2ccc([N+](=O)[O-])c(C(F)(F)F)c2)C[C@H]1C ZINC000611084503 400343891 /nfs/dbraw/zinc/34/38/91/400343891.db2.gz BVQQZOIGQMJCSZ-SNVBAGLBSA-N 1 1 317.311 3.144 20 5 DGBDMO CC[N@H+]1CCCN(c2ccc3ncccc3c2[N+](=O)[O-])[C@H](C)C1 ZINC000596268878 400367055 /nfs/dbraw/zinc/36/70/55/400367055.db2.gz MLBCZPIUKHXZTE-CYBMUJFWSA-N 1 1 314.389 3.064 20 5 DGBDMO CC[N@H+]1CCCN(c2ccc3ncccc3c2[N+](=O)[O-])[C@@H](C)C1 ZINC000596268879 400367354 /nfs/dbraw/zinc/36/73/54/400367354.db2.gz MLBCZPIUKHXZTE-ZDUSSCGKSA-N 1 1 314.389 3.064 20 5 DGBDMO O=[N+]([O-])c1ccccc1/C=C\C[N@H+]1CCC[C@H](c2ncc[nH]2)C1 ZINC000611261859 400368146 /nfs/dbraw/zinc/36/81/46/400368146.db2.gz NILRWRHVABHAKL-BYPUDFOVSA-N 1 1 312.373 3.211 20 5 DGBDMO C[C@@H]1COCCC[N@H+]1Cc1ccc(-c2ccc([N+](=O)[O-])cc2)o1 ZINC000611272400 400371307 /nfs/dbraw/zinc/37/13/07/400371307.db2.gz GZJPNKAXBNMJPU-CYBMUJFWSA-N 1 1 316.357 3.466 20 5 DGBDMO C[C@H]1COCCC[N@H+]1Cc1ccc(-c2cccc([N+](=O)[O-])c2)o1 ZINC000611272370 400371642 /nfs/dbraw/zinc/37/16/42/400371642.db2.gz CMOBIKNACOPEKA-ZDUSSCGKSA-N 1 1 316.357 3.466 20 5 DGBDMO CCC(=O)c1ccc(NC[C@@H]2CC[N@H+]2C(C)(C)C)c([N+](=O)[O-])c1 ZINC000596309884 400376964 /nfs/dbraw/zinc/37/69/64/400376964.db2.gz ZFINAWQSBOOBQP-ZDUSSCGKSA-N 1 1 319.405 3.472 20 5 DGBDMO C[C@@H]1[C@H](O)CC[N@H+]1Cc1ccc(-c2ccc([N+](=O)[O-])cc2)s1 ZINC000590661397 400411900 /nfs/dbraw/zinc/41/19/00/400411900.db2.gz BWRILNOXVBPUMR-IAQYHMDHSA-N 1 1 318.398 3.278 20 5 DGBDMO CCO[C@H]1CC[N@@H+](CCCOc2ccc([N+](=O)[O-])cc2)C[C@@H]1C ZINC000590756971 400429595 /nfs/dbraw/zinc/42/95/95/400429595.db2.gz VDXOZKGRJABSTD-YOEHRIQHSA-N 1 1 322.405 3.111 20 5 DGBDMO COc1cc(C[N@H+]2CC[C@H](C3CCC3)C2)c([N+](=O)[O-])cc1OC ZINC000591267743 400505002 /nfs/dbraw/zinc/50/50/02/400505002.db2.gz JSWNMFYJJMIWJX-ZDUSSCGKSA-N 1 1 320.389 3.234 20 5 DGBDMO C[C@H](C(=O)Nc1cccc([N+](=O)[O-])c1)[N@H+]1CC[C@@H](C2CCC2)C1 ZINC000591061960 400480405 /nfs/dbraw/zinc/48/04/05/400480405.db2.gz PNPAEDPKKVXMBS-TZMCWYRMSA-N 1 1 317.389 3.044 20 5 DGBDMO O=C(CC[N@H+]1CC[C@H](C2CCC2)C1)Nc1ccccc1[N+](=O)[O-] ZINC000591061857 400480617 /nfs/dbraw/zinc/48/06/17/400480617.db2.gz KXBOUNKBQKCVQY-AWEZNQCLSA-N 1 1 317.389 3.045 20 5 DGBDMO Cc1ncc([C@@H](C)[N@@H+](C)CCc2cccc([N+](=O)[O-])c2)c(C)n1 ZINC000602657270 400527682 /nfs/dbraw/zinc/52/76/82/400527682.db2.gz DAACIRTVXIHFSY-CYBMUJFWSA-N 1 1 314.389 3.237 20 5 DGBDMO O=C(C[N@@H+]1CCC2(C1)CCCCC2)Nc1ccccc1[N+](=O)[O-] ZINC000129955049 400531649 /nfs/dbraw/zinc/53/16/49/400531649.db2.gz WLDASOQKVULPBN-UHFFFAOYSA-N 1 1 317.389 3.190 20 5 DGBDMO O=C(C[N@H+]1CCC2(C1)CCCCC2)Nc1ccccc1[N+](=O)[O-] ZINC000129955049 400531658 /nfs/dbraw/zinc/53/16/58/400531658.db2.gz WLDASOQKVULPBN-UHFFFAOYSA-N 1 1 317.389 3.190 20 5 DGBDMO O=[N+]([O-])c1ccc2oc(C[N@H+]3C[C@@H](C4CC4)[C@@H]3C3CC3)nc2c1 ZINC000602683658 400538144 /nfs/dbraw/zinc/53/81/44/400538144.db2.gz QWTZGYNBAAYRFP-GUYCJALGSA-N 1 1 313.357 3.356 20 5 DGBDMO O=[N+]([O-])c1ccc2oc(C[N@H+]3C[C@H](C4CC4)[C@H]3C3CC3)nc2c1 ZINC000602683654 400538451 /nfs/dbraw/zinc/53/84/51/400538451.db2.gz QWTZGYNBAAYRFP-CXAGYDPISA-N 1 1 313.357 3.356 20 5 DGBDMO CC(C)(C)[C@@H]1CC[N@@H+](Cc2cc3c(cc2[N+](=O)[O-])OCCO3)C1 ZINC000612404534 400540724 /nfs/dbraw/zinc/54/07/24/400540724.db2.gz QADDXYNVIJIJJW-CYBMUJFWSA-N 1 1 320.389 3.234 20 5 DGBDMO C[C@@H](N)C[NH2+][C@H](C)c1ccc(-c2ccccc2[N+](=O)[O-])s1 ZINC000591580659 400542587 /nfs/dbraw/zinc/54/25/87/400542587.db2.gz JCXHKCWEVYYQEF-GHMZBOCLSA-N 1 1 305.403 3.321 20 5 DGBDMO O=[N+]([O-])c1ccc2c(c1)[C@H](N[C@@H]1CC[NH2+]C3(CCC3)C1)CCC2 ZINC000591582592 400542754 /nfs/dbraw/zinc/54/27/54/400542754.db2.gz MYAFFCRSGVVZQD-RHSMWYFYSA-N 1 1 315.417 3.237 20 5 DGBDMO C[C@H](N)C[NH2+][C@@H](C)c1ccc(-c2ccccc2[N+](=O)[O-])s1 ZINC000591580661 400542963 /nfs/dbraw/zinc/54/29/63/400542963.db2.gz JCXHKCWEVYYQEF-QWRGUYRKSA-N 1 1 305.403 3.321 20 5 DGBDMO CC[C@H]1C[C@H](C)C[N@H+]1Cc1nnc(-c2ccc([N+](=O)[O-])cc2)o1 ZINC000075022050 400552952 /nfs/dbraw/zinc/55/29/52/400552952.db2.gz AWUYORILFIZXPX-AAEUAGOBSA-N 1 1 316.361 3.265 20 5 DGBDMO Cc1ncc([N+](=O)[O-])n1CC[N@H+](C)[C@H](C)c1cccc(Cl)c1 ZINC000602763814 400566357 /nfs/dbraw/zinc/56/63/57/400566357.db2.gz DNRVUVMDYQMMSD-LLVKDONJSA-N 1 1 322.796 3.446 20 5 DGBDMO C[C@@H]1C[N@H+](CCOc2ccccc2[N+](=O)[O-])CC2(CCCC2)O1 ZINC000592188905 400620977 /nfs/dbraw/zinc/62/09/77/400620977.db2.gz RBQYTMFLMPLVGP-CQSZACIVSA-N 1 1 320.389 3.007 20 5 DGBDMO C[C@@H]1C[N@@H+](CCOc2ccccc2[N+](=O)[O-])CC2(CCCC2)O1 ZINC000592188905 400620981 /nfs/dbraw/zinc/62/09/81/400620981.db2.gz RBQYTMFLMPLVGP-CQSZACIVSA-N 1 1 320.389 3.007 20 5 DGBDMO Cc1c[nH+]ccc1OC1CCN(c2ccsc2[N+](=O)[O-])CC1 ZINC000618586858 400632780 /nfs/dbraw/zinc/63/27/80/400632780.db2.gz QXNBBTRWSBMZDS-UHFFFAOYSA-N 1 1 319.386 3.408 20 5 DGBDMO C[C@@H]1OCC[C@@H]1C[N@H+]1CCC[C@@H](c2ccc([N+](=O)[O-])cc2)C1 ZINC000602839656 400587816 /nfs/dbraw/zinc/58/78/16/400587816.db2.gz IAYBFKWHQWFAIL-NUEKZKHPSA-N 1 1 304.390 3.199 20 5 DGBDMO Cc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@@H+]1CCCC[C@H]1C ZINC000150070736 400662953 /nfs/dbraw/zinc/66/29/53/400662953.db2.gz ODITWRATURTUMF-CYBMUJFWSA-N 1 1 305.378 3.106 20 5 DGBDMO Cc1ccc(C[N@@H+]2CC3(C[C@@H]2C)CCOCC3)cc1[N+](=O)[O-] ZINC000592525594 400664851 /nfs/dbraw/zinc/66/48/51/400664851.db2.gz AFFQOSKCNGIZNE-AWEZNQCLSA-N 1 1 304.390 3.294 20 5 DGBDMO Cc1cc(N2CCC(C[N@H+](C)C(C)C)CC2)ccc1[N+](=O)[O-] ZINC000603871415 400727055 /nfs/dbraw/zinc/72/70/55/400727055.db2.gz CQNCDMISAZALSN-UHFFFAOYSA-N 1 1 305.422 3.460 20 5 DGBDMO C[C@@H]1CCCN(C/C=C/c2ccccc2[N+](=O)[O-])[C@@H]1CC[NH3+] ZINC000593316290 400816979 /nfs/dbraw/zinc/81/69/79/400816979.db2.gz OROGWYVSHCXZBH-LTVAEWHBSA-N 1 1 303.406 3.057 20 5 DGBDMO C[C@@H](c1ccccc1)[N@H+]1CC[C@@H](Nc2cccnc2[N+](=O)[O-])C1 ZINC000604304584 400762459 /nfs/dbraw/zinc/76/24/59/400762459.db2.gz QLICEQRMAMCUMR-DZGCQCFKSA-N 1 1 312.373 3.237 20 5 DGBDMO CCC1CC[NH+](Cc2nc(-c3ccc([N+](=O)[O-])cc3)no2)CC1 ZINC000053382280 400780952 /nfs/dbraw/zinc/78/09/52/400780952.db2.gz WKRDABQFHWCKGP-UHFFFAOYSA-N 1 1 316.361 3.267 20 5 DGBDMO O=[N+]([O-])c1ccccc1NCC[N@H+]1CCc2sccc2C1 ZINC000053580140 400792165 /nfs/dbraw/zinc/79/21/65/400792165.db2.gz BEURNRYAQXYEOC-UHFFFAOYSA-N 1 1 303.387 3.127 20 5 DGBDMO CC(=O)c1ccc(NCCC[N@@H+]2CCCC[C@H]2C)c([N+](=O)[O-])c1 ZINC000078405984 400797632 /nfs/dbraw/zinc/79/76/32/400797632.db2.gz CVPDXMBRVZKGPF-CYBMUJFWSA-N 1 1 319.405 3.474 20 5 DGBDMO CC(C)c1ccc(C[N@H+]2CC[C@H](C)[C@H](CO)C2)cc1[N+](=O)[O-] ZINC000598676247 400855046 /nfs/dbraw/zinc/85/50/46/400855046.db2.gz FROZUCQDSIWTGM-ZFWWWQNUSA-N 1 1 306.406 3.169 20 5 DGBDMO COc1ccc(C[NH+]2CC(C)(c3ccccc3)C2)cc1[N+](=O)[O-] ZINC000598677600 400855815 /nfs/dbraw/zinc/85/58/15/400855815.db2.gz PWMHRMXVTNUTQQ-UHFFFAOYSA-N 1 1 312.369 3.377 20 5 DGBDMO CC(C)c1ccc(C[N@H+]2CC[C@H](C)[C@@H](CO)C2)cc1[N+](=O)[O-] ZINC000598676243 400855850 /nfs/dbraw/zinc/85/58/50/400855850.db2.gz FROZUCQDSIWTGM-DZGCQCFKSA-N 1 1 306.406 3.169 20 5 DGBDMO C[N@H+]1CCCC[C@@H](C[NH2+][C@@H]2CCCc3ccc([N+](=O)[O-])cc32)C1 ZINC000599069583 400948717 /nfs/dbraw/zinc/94/87/17/400948717.db2.gz HVZXIUGSXDYSBC-KBXCAEBGSA-N 1 1 317.433 3.294 20 5 DGBDMO C[N@@H+]1CCCC[C@@H](CN[C@@H]2CCCc3ccc([N+](=O)[O-])cc32)C1 ZINC000599069583 400948723 /nfs/dbraw/zinc/94/87/23/400948723.db2.gz HVZXIUGSXDYSBC-KBXCAEBGSA-N 1 1 317.433 3.294 20 5 DGBDMO C[N@H+]1CCCC[C@@H](CN[C@@H]2CCCc3ccc([N+](=O)[O-])cc32)C1 ZINC000599069583 400948730 /nfs/dbraw/zinc/94/87/30/400948730.db2.gz HVZXIUGSXDYSBC-KBXCAEBGSA-N 1 1 317.433 3.294 20 5 DGBDMO C[C@H](CCO)[N@@H+](C)Cc1ccc(-c2cccc([N+](=O)[O-])c2)o1 ZINC000593695158 400893928 /nfs/dbraw/zinc/89/39/28/400893928.db2.gz XNTFPXMCGDBGIU-GFCCVEGCSA-N 1 1 304.346 3.058 20 5 DGBDMO O=[N+]([O-])c1ccc(CNC[C@@H]2CC[N@H+]2C2CCCCC2)c(F)c1 ZINC000598992075 400922655 /nfs/dbraw/zinc/92/26/55/400922655.db2.gz LAKFPBJKROWCMV-INIZCTEOSA-N 1 1 321.396 3.231 20 5 DGBDMO O=[N+]([O-])c1ccc(C[NH2+]C[C@@H]2CCN2C2CCCCC2)c(F)c1 ZINC000598992075 400922661 /nfs/dbraw/zinc/92/26/61/400922661.db2.gz LAKFPBJKROWCMV-INIZCTEOSA-N 1 1 321.396 3.231 20 5 DGBDMO O=[N+]([O-])c1ccc(CNC[C@H]2CC[N@@H+]2C2CCCCC2)cc1 ZINC000598993056 400922935 /nfs/dbraw/zinc/92/29/35/400922935.db2.gz QASFQOHUTHVJJH-QGZVFWFLSA-N 1 1 303.406 3.091 20 5 DGBDMO O=[N+]([O-])c1ccc(CNC[C@H]2CC[N@H+]2C2CCCCC2)cc1 ZINC000598993056 400922942 /nfs/dbraw/zinc/92/29/42/400922942.db2.gz QASFQOHUTHVJJH-QGZVFWFLSA-N 1 1 303.406 3.091 20 5 DGBDMO O=[N+]([O-])c1cccc(CNC[C@H]2CC[N@@H+]2C2CCCCC2)c1 ZINC000598993197 400923491 /nfs/dbraw/zinc/92/34/91/400923491.db2.gz VGOQJLUUVJWKJP-QGZVFWFLSA-N 1 1 303.406 3.091 20 5 DGBDMO O=[N+]([O-])c1cccc(CNC[C@H]2CC[N@H+]2C2CCCCC2)c1 ZINC000598993197 400923493 /nfs/dbraw/zinc/92/34/93/400923493.db2.gz VGOQJLUUVJWKJP-QGZVFWFLSA-N 1 1 303.406 3.091 20 5 DGBDMO CC[C@H]1CCCC[N@@H+]1CC(=O)Nc1c(C)cccc1[N+](=O)[O-] ZINC000198622950 400933967 /nfs/dbraw/zinc/93/39/67/400933967.db2.gz RZXIQRUBVRNHCD-ZDUSSCGKSA-N 1 1 305.378 3.106 20 5 DGBDMO CC[C@H]1CCCC[N@H+]1CC(=O)Nc1c(C)cccc1[N+](=O)[O-] ZINC000198622950 400933971 /nfs/dbraw/zinc/93/39/71/400933971.db2.gz RZXIQRUBVRNHCD-ZDUSSCGKSA-N 1 1 305.378 3.106 20 5 DGBDMO COc1cc(NC[C@H]2CC[N@H+]2C2CCCC2)c([N+](=O)[O-])cc1F ZINC000599163131 400981835 /nfs/dbraw/zinc/98/18/35/400981835.db2.gz BOUMVQRXQIPEQS-GFCCVEGCSA-N 1 1 323.368 3.171 20 5 DGBDMO COc1cccc([N+](=O)[O-])c1NC[C@H]1CC[N@H+]1C1CCCC1 ZINC000599164028 400982441 /nfs/dbraw/zinc/98/24/41/400982441.db2.gz HZYLYCQAUMBAOB-CYBMUJFWSA-N 1 1 305.378 3.032 20 5 DGBDMO COCc1cc([N+](=O)[O-])ccc1NC[C@H]1CC[N@H+]1C1CCCC1 ZINC000599166472 400983355 /nfs/dbraw/zinc/98/33/55/400983355.db2.gz WFZWDFMARJSNBB-MRXNPFEDSA-N 1 1 319.405 3.170 20 5 DGBDMO C[C@H](C[NH+]1CCCCC1)NC/C=C/c1ccccc1[N+](=O)[O-] ZINC000237661397 400993974 /nfs/dbraw/zinc/99/39/74/400993974.db2.gz KSIAGROEPYCJIO-LOWQCSRCSA-N 1 1 303.406 3.072 20 5 DGBDMO C[N@H+]1CCCC[C@H](CNc2nccc3ccc([N+](=O)[O-])cc32)C1 ZINC000599141820 400974720 /nfs/dbraw/zinc/97/47/20/400974720.db2.gz RSMSRWKHJOCIQB-CYBMUJFWSA-N 1 1 314.389 3.287 20 5 DGBDMO Cc1ccc(C[N@@H+](C)CCOc2cccc([N+](=O)[O-])c2)cc1 ZINC000058563773 401060059 /nfs/dbraw/zinc/06/00/59/401060059.db2.gz ZHLKIPFGEBAQCV-UHFFFAOYSA-N 1 1 300.358 3.414 20 5 DGBDMO C[C@@H]1C[N@H+](CCOc2ccc([N+](=O)[O-])cc2)C[C@H](C)C1(F)F ZINC000599514246 401064814 /nfs/dbraw/zinc/06/48/14/401064814.db2.gz WBPRAPFLBZQXRJ-TXEJJXNPSA-N 1 1 314.332 3.197 20 5 DGBDMO COc1cc(C[N@H+]2CC[C@H]3CC[C@@H](C2)S3)ccc1[N+](=O)[O-] ZINC000599553471 401075466 /nfs/dbraw/zinc/07/54/66/401075466.db2.gz WBVRIBOKKCMUDM-OLZOCXBDSA-N 1 1 308.403 3.073 20 5 DGBDMO COC[C@H]([NH2+][C@@H]1CCc2c1cccc2[N+](=O)[O-])c1ccc(C)o1 ZINC000594495525 401079744 /nfs/dbraw/zinc/07/97/44/401079744.db2.gz BCIYLOBAZYEUHX-CABCVRRESA-N 1 1 316.357 3.461 20 5 DGBDMO CC[N@H+]1CC[C@H]2CC[C@@H](C1)N2C/C=C\c1ccccc1[N+](=O)[O-] ZINC000255582407 401105881 /nfs/dbraw/zinc/10/58/81/401105881.db2.gz AAHXIQCQTFFJTH-DBZNTZSBSA-N 1 1 315.417 3.167 20 5 DGBDMO COc1cc(N[C@@H]2CCC[N@H+]3CCCC[C@@H]23)c(F)cc1[N+](=O)[O-] ZINC000594601889 401127393 /nfs/dbraw/zinc/12/73/93/401127393.db2.gz PJEAWTDARIKTGQ-OCCSQVGLSA-N 1 1 323.368 3.171 20 5 DGBDMO C/C(=C\c1cccc([N+](=O)[O-])c1)C[N@H+]1CCCOC(C)(C)C1 ZINC000615835654 401160482 /nfs/dbraw/zinc/16/04/82/401160482.db2.gz XWZVJCKZKLEURY-GXDHUFHOSA-N 1 1 304.390 3.499 20 5 DGBDMO CC[N@@H+](CCn1ccc([N+](=O)[O-])n1)Cc1ccc2ccccc2c1 ZINC000358273323 286017706 /nfs/dbraw/zinc/01/77/06/286017706.db2.gz JOPJFEVICSITGG-UHFFFAOYSA-N 1 1 324.384 3.467 20 5 DGBDMO CCCC[N@@H+](CC)CCC(=O)Nc1ccc([N+](=O)[O-])cc1C ZINC000063493811 401195979 /nfs/dbraw/zinc/19/59/79/401195979.db2.gz WPSJACZMXONQPT-UHFFFAOYSA-N 1 1 307.394 3.354 20 5 DGBDMO Cc1c(NC(=O)CC[N@@H+]2CCC[C@@H]2C(C)C)cccc1[N+](=O)[O-] ZINC000063618820 401205327 /nfs/dbraw/zinc/20/53/27/401205327.db2.gz YNNPHDDLMFXVPJ-OAHLLOKOSA-N 1 1 319.405 3.352 20 5 DGBDMO COc1cc([N+](=O)[O-])ccc1[C@@H](C)[NH2+]CC1(N(C)C)CCCC1 ZINC000595003304 401225786 /nfs/dbraw/zinc/22/57/86/401225786.db2.gz GQXNPBNRLPVLMS-CYBMUJFWSA-N 1 1 321.421 3.128 20 5 DGBDMO O=[N+]([O-])c1ccc(CN[C@@H]2CC[N@H+](C3CCCCC3)C2)c(F)c1 ZINC000594976388 401216523 /nfs/dbraw/zinc/21/65/23/401216523.db2.gz CIYLCUYZHSLGFM-CQSZACIVSA-N 1 1 321.396 3.231 20 5 DGBDMO Cc1ccc(C[NH2+]Cc2nc3cc([N+](=O)[O-])ccc3[nH]2)cc1F ZINC000358737961 286137841 /nfs/dbraw/zinc/13/78/41/286137841.db2.gz QIFHMKZZONRSSN-UHFFFAOYSA-N 1 1 314.320 3.208 20 5 DGBDMO Cc1ccc([N+](=O)[O-])cc1[C@H](C)[N@H+]1C[C@@H]2CC[C@@H](O)C[C@H]2C1 ZINC000332198024 292297011 /nfs/dbraw/zinc/29/70/11/292297011.db2.gz HOEBVSRXNFYQJE-RZLSGREXSA-N 1 1 304.390 3.057 20 5 DGBDMO Cc1cccc(NCCNc2cc(C)c([N+](=O)[O-])cc2F)[nH+]1 ZINC000360047437 286414266 /nfs/dbraw/zinc/41/42/66/286414266.db2.gz LHRFLNDXIHQDOT-UHFFFAOYSA-N 1 1 304.325 3.270 20 5 DGBDMO O=[N+]([O-])c1cc(C[N@@H+]2CC[C@@]3(C2)OCc2ccccc23)cs1 ZINC000186445300 165043316 /nfs/dbraw/zinc/04/33/16/165043316.db2.gz HCURICRANVTAOP-INIZCTEOSA-N 1 1 316.382 3.288 20 5 DGBDMO O=[N+]([O-])c1cc(C[N@H+]2CC[C@@]3(C2)OCc2ccccc23)cs1 ZINC000186445300 165043318 /nfs/dbraw/zinc/04/33/18/165043318.db2.gz HCURICRANVTAOP-INIZCTEOSA-N 1 1 316.382 3.288 20 5 DGBDMO Cc1c(C[N@H+]2CCC[C@@H](c3cc[nH]n3)C2)cccc1[N+](=O)[O-] ZINC000193863828 165333806 /nfs/dbraw/zinc/33/38/06/165333806.db2.gz HKCAORCSBVTRFH-CQSZACIVSA-N 1 1 300.362 3.006 20 5 DGBDMO C[C@@H](c1ccccc1[N+](=O)[O-])N1CC[C@@]2(C1)CCC[N@@H+](C)C2 ZINC000292837390 287152611 /nfs/dbraw/zinc/15/26/11/287152611.db2.gz AYVOLCJXQKSVHM-YOEHRIQHSA-N 1 1 303.406 3.074 20 5 DGBDMO C[C@@]1(O)CCC[N@@H+](Cc2ccc(-c3ccc([N+](=O)[O-])cc3)o2)C1 ZINC000129458838 196050564 /nfs/dbraw/zinc/05/05/64/196050564.db2.gz AMDVZJCQLNXUFQ-QGZVFWFLSA-N 1 1 316.357 3.202 20 5 DGBDMO CCC[N@H+]1CC[C@@H](CN[C@H](C)c2cccc([N+](=O)[O-])c2C)C1 ZINC000246841627 432171565 /nfs/dbraw/zinc/17/15/65/432171565.db2.gz CFJAEFSWEFTVPU-CABCVRRESA-N 1 1 305.422 3.286 20 5 DGBDMO CN(Cc1ccc([N+](=O)[O-])cc1Cl)C[C@H]1CCC[N@@H+](C)C1 ZINC000182187333 432164747 /nfs/dbraw/zinc/16/47/47/432164747.db2.gz ANHQRPKIRAOYSL-LBPRGKRZSA-N 1 1 311.813 3.022 20 5 DGBDMO C[C@@H](c1ccco1)[N@@H+](C[C@@H](O)c1cccc([N+](=O)[O-])c1)C1CC1 ZINC000269660663 432194163 /nfs/dbraw/zinc/19/41/63/432194163.db2.gz QBMMGWZGWDRJKE-BLLLJJGKSA-N 1 1 316.357 3.447 20 5 DGBDMO C[C@H](C[N@@H+](C)C[C@H](O)c1cccc([N+](=O)[O-])c1)c1ccccc1 ZINC000269653262 432194226 /nfs/dbraw/zinc/19/42/26/432194226.db2.gz NJTBFQHLKUADJS-KDOFPFPSSA-N 1 1 314.385 3.364 20 5 DGBDMO C[C@H](c1cccs1)[N@@H+](C)C[C@@H](O)c1cccc([N+](=O)[O-])c1 ZINC000269671937 432194829 /nfs/dbraw/zinc/19/48/29/432194829.db2.gz OBZHBJJQJCDITN-BXUZGUMPSA-N 1 1 306.387 3.383 20 5 DGBDMO C[C@H](c1ccccc1)[N@@H+](C)C[C@@H](O)c1cccc([N+](=O)[O-])c1 ZINC000269686886 432197263 /nfs/dbraw/zinc/19/72/63/432197263.db2.gz GRWMZTFFLVDPBV-CXAGYDPISA-N 1 1 300.358 3.321 20 5 DGBDMO Cc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@@H+]1CCC[C@H](C)[C@H]1C ZINC000247096647 432201955 /nfs/dbraw/zinc/20/19/55/432201955.db2.gz XSYGAJMXPPUFCU-GXTWGEPZSA-N 1 1 319.405 3.352 20 5 DGBDMO C[C@H](c1cccc([N+](=O)[O-])c1)[N@@H+]1CCC[C@H]1c1cnn(C)c1 ZINC000247193516 432210629 /nfs/dbraw/zinc/21/06/29/432210629.db2.gz BUDYQSPDODVEFF-WBMJQRKESA-N 1 1 300.362 3.226 20 5 DGBDMO C[C@H](c1cccc([N+](=O)[O-])c1)[N@H+]1CCC[C@H]1c1cnn(C)c1 ZINC000247193516 432210631 /nfs/dbraw/zinc/21/06/31/432210631.db2.gz BUDYQSPDODVEFF-WBMJQRKESA-N 1 1 300.362 3.226 20 5 DGBDMO C[C@H](CN[C@@H](C)c1ccc([N+](=O)[O-])cc1)[N@@H+]1CCC[C@@H](C)C1 ZINC000247195823 432211713 /nfs/dbraw/zinc/21/17/13/432211713.db2.gz VZJNBZBRPMORJD-KFWWJZLASA-N 1 1 305.422 3.366 20 5 DGBDMO C[C@H](CN[C@@H](C)c1ccc([N+](=O)[O-])cc1)[N@H+]1CCC[C@@H](C)C1 ZINC000247195823 432211716 /nfs/dbraw/zinc/21/17/16/432211716.db2.gz VZJNBZBRPMORJD-KFWWJZLASA-N 1 1 305.422 3.366 20 5 DGBDMO Cc1ccc(C[N@@H+]2CC[C@@H](C)[C@@H](n3ccnc3)C2)cc1[N+](=O)[O-] ZINC000247244776 432215507 /nfs/dbraw/zinc/21/55/07/432215507.db2.gz WXNUCEVRTQDLOK-PBHICJAKSA-N 1 1 314.389 3.183 20 5 DGBDMO CCC[N@H+]1CC[C@@H](CN[C@@H](C)c2cc([N+](=O)[O-])ccc2C)C1 ZINC000151116964 432221250 /nfs/dbraw/zinc/22/12/50/432221250.db2.gz NORPLVBVRLWTDO-GJZGRUSLSA-N 1 1 305.422 3.286 20 5 DGBDMO CC[N@@H+](Cc1cnn(C)c1)[C@H](C)c1cc([N+](=O)[O-])ccc1C ZINC000182734100 432222783 /nfs/dbraw/zinc/22/27/83/432222783.db2.gz POFZQUBIIGYREH-CYBMUJFWSA-N 1 1 302.378 3.220 20 5 DGBDMO Cc1ccc(C[N@@H+]2CC3(CCC3)[C@H]2[C@@H]2CCCO2)cc1[N+](=O)[O-] ZINC000290993506 222054701 /nfs/dbraw/zinc/05/47/01/222054701.db2.gz VLJWCFGGCYAVCW-DLBZAZTESA-N 1 1 316.401 3.437 20 5 DGBDMO Cc1ccc(C[N@H+]2CC3(CCC3)[C@H]2[C@@H]2CCCO2)cc1[N+](=O)[O-] ZINC000290993506 222054706 /nfs/dbraw/zinc/05/47/06/222054706.db2.gz VLJWCFGGCYAVCW-DLBZAZTESA-N 1 1 316.401 3.437 20 5 DGBDMO C[C@@H]([NH3+])[C@H]1CCN(Cc2ccc(-c3cccc([N+](=O)[O-])c3)o2)C1 ZINC000346642585 264071362 /nfs/dbraw/zinc/07/13/62/264071362.db2.gz MQQNPTJDMCYPIC-OCCSQVGLSA-N 1 1 315.373 3.024 20 5 DGBDMO C[C@@H]1C[C@@H](C[NH3+])CN1Cc1ccc(-c2ccccc2[N+](=O)[O-])o1 ZINC000346655330 264073515 /nfs/dbraw/zinc/07/35/15/264073515.db2.gz FZHZFZKHIAWYTO-OLZOCXBDSA-N 1 1 315.373 3.024 20 5 DGBDMO C[C@@H]([NH3+])[C@@H]1CCN(Cc2ccc(-c3ccccc3[N+](=O)[O-])o2)C1 ZINC000346665661 264076517 /nfs/dbraw/zinc/07/65/17/264076517.db2.gz DGDVSDZDPSOOOE-CHWSQXEVSA-N 1 1 315.373 3.024 20 5 DGBDMO O=[N+]([O-])c1ccccc1OCC[N@H+]1CCC[C@H]1c1cccnc1 ZINC000346984159 264133462 /nfs/dbraw/zinc/13/34/62/264133462.db2.gz OHHOGJACQLBPDK-HNNXBMFYSA-N 1 1 313.357 3.206 20 5 DGBDMO COC(=O)[C@H]1CC[N@@H+](Cc2ccc(C(C)C)c([N+](=O)[O-])c2)[C@H]1C ZINC000347272083 264187316 /nfs/dbraw/zinc/18/73/16/264187316.db2.gz DFNYYMTWQHXSFP-WFASDCNBSA-N 1 1 320.389 3.102 20 5 DGBDMO C/C(=C\c1cccc([N+](=O)[O-])c1)C[N@@H+](CCCCO)C1CC1 ZINC000347332514 264198785 /nfs/dbraw/zinc/19/87/85/264198785.db2.gz GJJBVRQBIYPOQV-SDNWHVSQSA-N 1 1 304.390 3.235 20 5 DGBDMO COc1ccc(C[N@@H+]2CC[C@H](C(F)(F)F)[C@H]2C)cc1[N+](=O)[O-] ZINC000348240878 264372375 /nfs/dbraw/zinc/37/23/75/264372375.db2.gz CCPOCGZRTLIFON-KOLCDFICSA-N 1 1 318.295 3.376 20 5 DGBDMO COc1ccc(C[N@H+]2CC[C@H](C(F)(F)F)[C@H]2C)cc1[N+](=O)[O-] ZINC000348240878 264372377 /nfs/dbraw/zinc/37/23/77/264372377.db2.gz CCPOCGZRTLIFON-KOLCDFICSA-N 1 1 318.295 3.376 20 5 DGBDMO CCCC[N@@H+](C)CCNc1ccc([N+](=O)[O-])c2cccnc12 ZINC000352313873 265000075 /nfs/dbraw/zinc/00/00/75/265000075.db2.gz HIVADAQMKNDPBT-UHFFFAOYSA-N 1 1 302.378 3.287 20 5 DGBDMO CCC[N@@H+](CC)C[C@H](C)NC(=O)Nc1cc([N+](=O)[O-])ccc1C ZINC000352393118 265031552 /nfs/dbraw/zinc/03/15/52/265031552.db2.gz YQLAUXNROXWJCF-ZDUSSCGKSA-N 1 1 322.409 3.145 20 5 DGBDMO CC[C@@H]([NH2+]Cc1ccc(OC)c([N+](=O)[O-])c1)c1ccc(F)cn1 ZINC000352555334 265087083 /nfs/dbraw/zinc/08/70/83/265087083.db2.gz LUEPIWPDETYUMG-CYBMUJFWSA-N 1 1 319.336 3.378 20 5 DGBDMO C[N@@H+](CCCO[C@H]1CCCCO1)CCc1ccccc1[N+](=O)[O-] ZINC000352560372 265089156 /nfs/dbraw/zinc/08/91/56/265089156.db2.gz DTOCSKWKUMGFLW-KRWDZBQOSA-N 1 1 322.405 3.002 20 5 DGBDMO C[C@@H](c1cccc([N+](=O)[O-])c1)[N@H+]1CC[C@@H](COC(F)F)C1 ZINC000353017274 265267825 /nfs/dbraw/zinc/26/78/25/265267825.db2.gz BROHBFAILQCPOC-WDEREUQCSA-N 1 1 300.305 3.217 20 5 DGBDMO C[N@@H+](Cc1ccc(-c2ccc([N+](=O)[O-])cc2)o1)CC1(O)CCC1 ZINC000355368188 266053617 /nfs/dbraw/zinc/05/36/17/266053617.db2.gz PNUKSRPNWNBQIC-UHFFFAOYSA-N 1 1 316.357 3.202 20 5 DGBDMO COc1cc(C[N@H+]2CC[C@H](C)C(C)(C)C2)c([N+](=O)[O-])cc1OC ZINC000355508490 266097705 /nfs/dbraw/zinc/09/77/05/266097705.db2.gz KUZFPDZRNKWXKL-LBPRGKRZSA-N 1 1 322.405 3.480 20 5 DGBDMO Cc1ccc([N+](=O)[O-])cc1[C@H](C)[N@H+]1CC[C@H]2OCCC[C@@H]2C1 ZINC000182853855 432236956 /nfs/dbraw/zinc/23/69/56/432236956.db2.gz HBXITKKIUVVVHM-JJRVBVJISA-N 1 1 304.390 3.465 20 5 DGBDMO C[NH+]1CCC2(CCCN(Cc3ccc([N+](=O)[O-])c(F)c3)C2)CC1 ZINC000368482562 271162867 /nfs/dbraw/zinc/16/28/67/271162867.db2.gz KWXNSKQKZWIBJA-UHFFFAOYSA-N 1 1 321.396 3.042 20 5 DGBDMO CCOc1cccc(N[C@@H]2CC[N@H+]3CCC[C@@H]3C2)c1[N+](=O)[O-] ZINC000368601396 271179483 /nfs/dbraw/zinc/17/94/83/271179483.db2.gz FTMZTADAASZALC-CHWSQXEVSA-N 1 1 305.378 3.032 20 5 DGBDMO C[C@@H]1CCCC[N@H+]1C[C@@H]1CCCN(c2ccc([N+](=O)[O-])cn2)C1 ZINC000265056671 274286579 /nfs/dbraw/zinc/28/65/79/274286579.db2.gz MFZMMZYBRNAQKT-CABCVRRESA-N 1 1 318.421 3.081 20 5 DGBDMO C[C@@H]1CC[N@@H+](C)CCN1c1ccc([N+](=O)[O-])c(C(F)(F)F)c1 ZINC000339680118 274300947 /nfs/dbraw/zinc/30/09/47/274300947.db2.gz BSUWNNNJXGLPDK-SNVBAGLBSA-N 1 1 317.311 3.144 20 5 DGBDMO Cc1cccc([N+](=O)[O-])c1N1CC[NH+](Cc2cccs2)CC1 ZINC000301169847 274796741 /nfs/dbraw/zinc/79/67/41/274796741.db2.gz JQWNTBRRJSRXDM-UHFFFAOYSA-N 1 1 317.414 3.287 20 5 DGBDMO O=[N+]([O-])c1ccc(N2CC[C@H]3[C@@H](CCC[N@H+]3C3CC3)C2)cc1 ZINC000301751543 275037006 /nfs/dbraw/zinc/03/70/06/275037006.db2.gz BCVWXBGWMVVERT-GUYCJALGSA-N 1 1 301.390 3.048 20 5 DGBDMO O=[N+]([O-])c1ccc(N[C@H]2CC[N@H+]3CCCC[C@@H]23)c2ccncc21 ZINC000301084639 275037084 /nfs/dbraw/zinc/03/70/84/275037084.db2.gz LWJOJYPMVIWPMA-RDJZCZTQSA-N 1 1 312.373 3.182 20 5 DGBDMO O=[N+]([O-])c1ccc2c(ccnc2N2CCC[C@@H](c3[nH]cc[nH+]3)C2)c1 ZINC000297083952 275038798 /nfs/dbraw/zinc/03/87/98/275038798.db2.gz KAVNIDVVVWPGBM-CYBMUJFWSA-N 1 1 323.356 3.250 20 5 DGBDMO CCN(CC)C[C@@H](C)[NH2+][C@H]1CCCc2ccc([N+](=O)[O-])cc21 ZINC000447534887 276105168 /nfs/dbraw/zinc/10/51/68/276105168.db2.gz AQWJZQDFSMKWOF-DYVFJYSZSA-N 1 1 305.422 3.292 20 5 DGBDMO CC[N@H+]1C[C@@H](C)N(Cc2c(Cl)cccc2[N+](=O)[O-])C[C@@H]1C ZINC000491975637 276241747 /nfs/dbraw/zinc/24/17/47/276241747.db2.gz DTNCNZQZELBEPJ-NWDGAFQWSA-N 1 1 311.813 3.163 20 5 DGBDMO Cc1nc(NC[C@@H](C)[N@@H+](C)Cc2ccccc2)ccc1[N+](=O)[O-] ZINC000301678113 279101865 /nfs/dbraw/zinc/10/18/65/279101865.db2.gz TYKJMZGSNLWODH-CYBMUJFWSA-N 1 1 314.389 3.231 20 5 DGBDMO C[C@@]1(CCCO)CCC[N@H+]1Cc1cc(Cl)ccc1[N+](=O)[O-] ZINC000272044124 279157927 /nfs/dbraw/zinc/15/79/27/279157927.db2.gz RQPPOALWGJKJRZ-HNNXBMFYSA-N 1 1 312.797 3.375 20 5 DGBDMO Cc1c(NC(=O)[C@@H](C)[N@H+]2CCC[C@H](C)CC2)cccc1[N+](=O)[O-] ZINC000068829623 431144543 /nfs/dbraw/zinc/14/45/43/431144543.db2.gz RJXPHHVLGGLPTE-GXTWGEPZSA-N 1 1 319.405 3.352 20 5 DGBDMO CC1(C)CCC[N@@H+](Cc2nnc(-c3ccc([N+](=O)[O-])cc3)o2)C1 ZINC000112702612 431298656 /nfs/dbraw/zinc/29/86/56/431298656.db2.gz PKUZRXRHMXATSH-UHFFFAOYSA-N 1 1 316.361 3.267 20 5 DGBDMO CCCC[N@@H+](CC)CCC(=O)Nc1cc([N+](=O)[O-])ccc1C ZINC000072037512 431327602 /nfs/dbraw/zinc/32/76/02/431327602.db2.gz RGZPIADDNIVKPM-UHFFFAOYSA-N 1 1 307.394 3.354 20 5 DGBDMO CC(C)C[C@@H]1CC[N@@H+](Cc2cc([N+](=O)[O-])cc3c2OCOC3)C1 ZINC000074994097 431448986 /nfs/dbraw/zinc/44/89/86/431448986.db2.gz NMKOZOMLOPUPFL-ZDUSSCGKSA-N 1 1 320.389 3.329 20 5 DGBDMO Cn1cccc1[C@@H]1CCC[N@H+]1CCOc1cccc([N+](=O)[O-])c1 ZINC000076612826 431557889 /nfs/dbraw/zinc/55/78/89/431557889.db2.gz PQANTHRTAJNELJ-KRWDZBQOSA-N 1 1 315.373 3.149 20 5 DGBDMO CC(C)CCO[C@@H]1CC[N@@H+](CCOc2ccccc2[N+](=O)[O-])C1 ZINC000083248140 431810112 /nfs/dbraw/zinc/81/01/12/431810112.db2.gz USAPBGSUVYTBEO-OAHLLOKOSA-N 1 1 322.405 3.111 20 5 DGBDMO Cc1ccc([N+](=O)[O-])c(NCCCC[N@@H+]2CCCC[C@H]2C)n1 ZINC000121404366 431780345 /nfs/dbraw/zinc/78/03/45/431780345.db2.gz ZLFCJRMCTMWOBV-CQSZACIVSA-N 1 1 306.410 3.365 20 5 DGBDMO Cc1ccc([C@@H](C)N[C@H](C)C[NH+]2CCCCC2)cc1[N+](=O)[O-] ZINC000122982603 431850514 /nfs/dbraw/zinc/85/05/14/431850514.db2.gz SGRIFYYTESFINX-HUUCEWRRSA-N 1 1 305.422 3.428 20 5 DGBDMO C[C@H]1CC[C@H](C)[NH+]1CC(=O)Nc1ccc(Cl)cc1[N+](=O)[O-] ZINC000123463340 431865402 /nfs/dbraw/zinc/86/54/02/431865402.db2.gz SMPDWUXVWPBZSK-UWVGGRQHSA-N 1 1 311.769 3.060 20 5 DGBDMO Cc1c(NC(=O)[C@@H](C)[N@H+]2CCC3(CCC3)C2)cccc1[N+](=O)[O-] ZINC000123590504 431869199 /nfs/dbraw/zinc/86/91/99/431869199.db2.gz PBQNQDANVKKERO-CYBMUJFWSA-N 1 1 317.389 3.106 20 5 DGBDMO C[C@H](O)C[C@H]1CCCC[N@H+]1Cc1ccc([N+](=O)[O-])cc1Cl ZINC000123823308 431875426 /nfs/dbraw/zinc/87/54/26/431875426.db2.gz RCMANENCELSSPA-WCQYABFASA-N 1 1 312.797 3.374 20 5 DGBDMO COCC[N@H+](Cc1ccco1)Cc1cccc([N+](=O)[O-])c1C ZINC000051739080 431952649 /nfs/dbraw/zinc/95/26/49/431952649.db2.gz RIGGDVZWWWGIKO-UHFFFAOYSA-N 1 1 304.346 3.145 20 5 DGBDMO COCC[N@@H+](Cc1ccco1)Cc1cccc([N+](=O)[O-])c1C ZINC000051739080 431952651 /nfs/dbraw/zinc/95/26/51/431952651.db2.gz RIGGDVZWWWGIKO-UHFFFAOYSA-N 1 1 304.346 3.145 20 5 DGBDMO C[C@H](c1nnc(-c2ccc([N+](=O)[O-])cc2)o1)[N@@H+](C)CC1CC1 ZINC000053184504 431961395 /nfs/dbraw/zinc/96/13/95/431961395.db2.gz XPRISYKPFJEWTO-SNVBAGLBSA-N 1 1 302.334 3.048 20 5 DGBDMO C[C@@H](c1ccccc1)[N@H+]1CC[C@H](Nc2ccc([N+](=O)[O-])cn2)C1 ZINC000053580514 431964236 /nfs/dbraw/zinc/96/42/36/431964236.db2.gz PBCVDUJMMPKPIP-ZFWWWQNUSA-N 1 1 312.373 3.237 20 5 DGBDMO Cc1ccc([N+](=O)[O-])cc1[C@H](C)[N@H+]1CC[C@@H]2OCCC[C@@H]2C1 ZINC000245517671 281021876 /nfs/dbraw/zinc/02/18/76/281021876.db2.gz HBXITKKIUVVVHM-VBQJREDUSA-N 1 1 304.390 3.465 20 5 DGBDMO Cc1cccc(N2CCC[C@@H](Cc3[nH+]ccn3C)C2)c1[N+](=O)[O-] ZINC000302522707 281226673 /nfs/dbraw/zinc/22/66/73/281226673.db2.gz YLKBZIOGOPNIAR-AWEZNQCLSA-N 1 1 314.389 3.096 20 5 DGBDMO C[C@H](C[N@@H+](C)CCOc1ccccc1[N+](=O)[O-])c1nccs1 ZINC000183983251 432342742 /nfs/dbraw/zinc/34/27/42/432342742.db2.gz XVVMPGKQFFWAOP-GFCCVEGCSA-N 1 1 321.402 3.166 20 5 DGBDMO CC[N@@H+](C)C[C@@H]1CCN(Cc2ccc(Cl)cc2[N+](=O)[O-])C1 ZINC000173898052 432305689 /nfs/dbraw/zinc/30/56/89/432305689.db2.gz RFAWMKPVBUISQL-LBPRGKRZSA-N 1 1 311.813 3.022 20 5 DGBDMO C[C@H](Nc1ncc([N+](=O)[O-])s1)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC000192525953 432383373 /nfs/dbraw/zinc/38/33/73/432383373.db2.gz CRQVOYWZNGTJOG-QWRGUYRKSA-N 1 1 310.423 3.116 20 5 DGBDMO C[C@@H]1C[N@@H+](Cc2ccc(-c3cccc([N+](=O)[O-])c3)o2)CC[C@H]1O ZINC000250081605 432363930 /nfs/dbraw/zinc/36/39/30/432363930.db2.gz PFMHNSLPRXTFNE-MLGOLLRUSA-N 1 1 316.357 3.058 20 5 DGBDMO CC[C@@H]1C[N@@H+](Cc2ccc(-c3cccc([N+](=O)[O-])c3)o2)C[C@H]1O ZINC000271273977 432366128 /nfs/dbraw/zinc/36/61/28/432366128.db2.gz KKJUYSNXVMQESF-MLGOLLRUSA-N 1 1 316.357 3.058 20 5 DGBDMO CCc1cnc(C[N@H+](C)CCc2ccc([N+](=O)[O-])cc2)s1 ZINC000175509933 432443037 /nfs/dbraw/zinc/44/30/37/432443037.db2.gz MUZSRVAUFZLZDX-UHFFFAOYSA-N 1 1 305.403 3.288 20 5 DGBDMO CCc1cnc(C[N@@H+](C)CCc2ccc([N+](=O)[O-])cc2)s1 ZINC000175509933 432443041 /nfs/dbraw/zinc/44/30/41/432443041.db2.gz MUZSRVAUFZLZDX-UHFFFAOYSA-N 1 1 305.403 3.288 20 5 DGBDMO COC[C@@H]([NH2+]C/C=C\c1ccccc1[N+](=O)[O-])c1ccc(C)o1 ZINC000255572270 432410819 /nfs/dbraw/zinc/41/08/19/432410819.db2.gz LHPYNJAPMQFQIC-ZQMJAJRESA-N 1 1 316.357 3.487 20 5 DGBDMO CCOC[C@H]1CCC[N@@H+](Cc2cc([N+](=O)[O-])ccc2OCC)C1 ZINC000175234001 432413906 /nfs/dbraw/zinc/41/39/06/432413906.db2.gz LBVHGQZZERHSBV-AWEZNQCLSA-N 1 1 322.405 3.242 20 5 DGBDMO Cc1[nH]ncc1C[NH2+][C@@H]1CCC[C@@H]1Cc1ccccc1[N+](=O)[O-] ZINC000271527014 432414437 /nfs/dbraw/zinc/41/44/37/432414437.db2.gz REVBVLVRRZYFIT-CZUORRHYSA-N 1 1 314.389 3.127 20 5 DGBDMO O=[N+]([O-])c1ccn(CC[N@H+]2CCC[C@@H](c3ccccc3)CC2)n1 ZINC000176227773 432503252 /nfs/dbraw/zinc/50/32/52/432503252.db2.gz YACOMZSOXWQLLO-MRXNPFEDSA-N 1 1 314.389 3.061 20 5 DGBDMO Cc1ccc([C@H]2CCCCC[N@H+]2CCn2ccc([N+](=O)[O-])n2)o1 ZINC000176251497 432504820 /nfs/dbraw/zinc/50/48/20/432504820.db2.gz AYTJJOKNJATTRM-CQSZACIVSA-N 1 1 318.377 3.310 20 5 DGBDMO C[C@H](C[N@@H+](C)Cc1ccc([N+](=O)[O-])cc1F)c1nccs1 ZINC000273084781 432547852 /nfs/dbraw/zinc/54/78/52/432547852.db2.gz LUVGSZHTYBSDKB-SNVBAGLBSA-N 1 1 309.366 3.426 20 5 DGBDMO C[C@@H](C[N@@H+](C)Cc1ccc([N+](=O)[O-])cc1F)c1nccs1 ZINC000273084780 432548008 /nfs/dbraw/zinc/54/80/08/432548008.db2.gz LUVGSZHTYBSDKB-JTQLQIEISA-N 1 1 309.366 3.426 20 5 DGBDMO COc1ccnc(C[NH2+][C@H](C)c2ccc(C)c([N+](=O)[O-])c2)c1 ZINC000273226822 432568915 /nfs/dbraw/zinc/56/89/15/432568915.db2.gz VQVSMUUDOASNPV-GFCCVEGCSA-N 1 1 301.346 3.158 20 5 DGBDMO CCOc1ccc([N+](=O)[O-])cc1C[N@@H+](C)CCC1CCOCC1 ZINC000177029470 432577327 /nfs/dbraw/zinc/57/73/27/432577327.db2.gz NNYWSAKIIKPCPD-UHFFFAOYSA-N 1 1 322.405 3.242 20 5 DGBDMO Cc1ccc([N+](=O)[O-])cc1[C@H](C)NCC[N@@H+]1CCC[C@H](C)C1 ZINC000156683518 432604236 /nfs/dbraw/zinc/60/42/36/432604236.db2.gz LRMHAZFBNIBATN-ZFWWWQNUSA-N 1 1 305.422 3.286 20 5 DGBDMO Cc1ccc([N+](=O)[O-])cc1[C@H](C)NCC[N@H+]1CCC[C@H](C)C1 ZINC000156683518 432604238 /nfs/dbraw/zinc/60/42/38/432604238.db2.gz LRMHAZFBNIBATN-ZFWWWQNUSA-N 1 1 305.422 3.286 20 5 DGBDMO CC(C)(C)[C@H]1CCC[N@H+]1Cc1cc([N+](=O)[O-])cc2c1OCOC2 ZINC000264199933 432626793 /nfs/dbraw/zinc/62/67/93/432626793.db2.gz PGLLUFKJZWQKMV-OAHLLOKOSA-N 1 1 320.389 3.472 20 5 DGBDMO CCOc1ccc([N+](=O)[O-])cc1C[N@H+]1CCC[C@@H]1CSC ZINC000178566477 432753524 /nfs/dbraw/zinc/75/35/24/432753524.db2.gz ORUNZDFXCOUTLY-CQSZACIVSA-N 1 1 310.419 3.321 20 5 DGBDMO COc1ccc([N+](=O)[O-])cc1C[NH2+]Cc1ccc(F)c(F)c1 ZINC000237195581 432780164 /nfs/dbraw/zinc/78/01/64/432780164.db2.gz ZAWAYVVJXGRIAC-UHFFFAOYSA-N 1 1 308.284 3.171 20 5 DGBDMO C[C@H](c1nnc(-c2ccc([N+](=O)[O-])cc2)o1)[N@H+]1CCC[C@H]1C ZINC000245444578 432832586 /nfs/dbraw/zinc/83/25/86/432832586.db2.gz JTWGGZOIRVTREN-GHMZBOCLSA-N 1 1 302.334 3.190 20 5 DGBDMO Cc1n[nH]c(C)c1[C@H]1CCC[N@@H+]1Cc1ccc([N+](=O)[O-])c(F)c1 ZINC000276267777 432788964 /nfs/dbraw/zinc/78/89/64/432788964.db2.gz CFQDLERPQYSWSD-OAHLLOKOSA-N 1 1 318.352 3.411 20 5 DGBDMO Cc1n[nH]c(C)c1[C@H]1CCC[N@H+]1Cc1ccc([N+](=O)[O-])c(F)c1 ZINC000276267777 432788966 /nfs/dbraw/zinc/78/89/66/432788966.db2.gz CFQDLERPQYSWSD-OAHLLOKOSA-N 1 1 318.352 3.411 20 5 DGBDMO CCOc1ccc([N+](=O)[O-])cc1C[N@@H+](C)C1CCC(OC)CC1 ZINC000267076681 432811218 /nfs/dbraw/zinc/81/12/18/432811218.db2.gz WXCHVUIJZSQHDM-UHFFFAOYSA-N 1 1 322.405 3.383 20 5 DGBDMO C[N@H+](Cc1ccc(Cl)cc1[N+](=O)[O-])C[C@@H]1CCCC[C@H]1O ZINC000245543379 432842197 /nfs/dbraw/zinc/84/21/97/432842197.db2.gz KPMUNWGJTOXUTL-SWLSCSKDSA-N 1 1 312.797 3.231 20 5 DGBDMO O=[N+]([O-])c1ccccc1/C=C/C[N@@H+]1CCO[C@@H]2CCCC[C@H]21 ZINC000245543408 432842261 /nfs/dbraw/zinc/84/22/61/432842261.db2.gz RAIVQXGSFKFTDO-SLLSNFPASA-N 1 1 302.374 3.251 20 5 DGBDMO O=[N+]([O-])c1ccccc1/C=C/C[N@H+]1CCO[C@@H]2CCCC[C@H]21 ZINC000245543408 432842264 /nfs/dbraw/zinc/84/22/64/432842264.db2.gz RAIVQXGSFKFTDO-SLLSNFPASA-N 1 1 302.374 3.251 20 5 DGBDMO CC[C@H]1CC[C@@H](C)[N@H+]1CC(=O)Nc1cc([N+](=O)[O-])ccc1C ZINC000330650960 432922593 /nfs/dbraw/zinc/92/25/93/432922593.db2.gz JWOOTNOSQIPBAE-OLZOCXBDSA-N 1 1 305.378 3.105 20 5 DGBDMO CCC[C@@]1(CO)CC[N@H+](Cc2ccc(Cl)c([N+](=O)[O-])c2)C1 ZINC000288915296 432905526 /nfs/dbraw/zinc/90/55/26/432905526.db2.gz UNFXZYBLGQITIW-OAHLLOKOSA-N 1 1 312.797 3.233 20 5 DGBDMO CCC[C@@]1(CO)CC[N@@H+](Cc2ccc(Cl)c([N+](=O)[O-])c2)C1 ZINC000288915296 432905527 /nfs/dbraw/zinc/90/55/27/432905527.db2.gz UNFXZYBLGQITIW-OAHLLOKOSA-N 1 1 312.797 3.233 20 5 DGBDMO O=[N+]([O-])c1ccc(C[N@@H+]2CC3(CCC3)[C@H]2[C@H]2CCCO2)cc1F ZINC000289460254 432964299 /nfs/dbraw/zinc/96/42/99/432964299.db2.gz GLMDXCDEZSNLKR-HZPDHXFCSA-N 1 1 320.364 3.267 20 5 DGBDMO O=[N+]([O-])c1ccc(C[N@H+]2CC3(CCC3)[C@H]2[C@H]2CCCO2)cc1F ZINC000289460254 432964302 /nfs/dbraw/zinc/96/43/02/432964302.db2.gz GLMDXCDEZSNLKR-HZPDHXFCSA-N 1 1 320.364 3.267 20 5 DGBDMO C[C@@H]1C[C@@H](Nc2nccc3cc([N+](=O)[O-])ccc32)C[N@H+]1C1CC1 ZINC000297498695 432996992 /nfs/dbraw/zinc/99/69/92/432996992.db2.gz MYGUZHWLXXTTAQ-DGCLKSJQSA-N 1 1 312.373 3.180 20 5 DGBDMO CC[C@H]([NH2+]Cc1c([N+](=O)[O-])ncn1C)c1cccc(Cl)c1 ZINC000341273428 433012929 /nfs/dbraw/zinc/01/29/29/433012929.db2.gz BOKQTACRSQKSFN-LBPRGKRZSA-N 1 1 308.769 3.223 20 5 DGBDMO CN(C)C[C@H]([NH2+]Cc1cccc([N+](=O)[O-])c1)c1ccc(F)cc1 ZINC000290241638 433017924 /nfs/dbraw/zinc/01/79/24/433017924.db2.gz ZORMYBXCMDIJQW-KRWDZBQOSA-N 1 1 317.364 3.126 20 5 DGBDMO CC(C)CC[C@@H](O)C[N@@H+](Cc1cccc([N+](=O)[O-])c1)C1CC1 ZINC000361290686 433086314 /nfs/dbraw/zinc/08/63/14/433086314.db2.gz ZHYHCLOZVIDQSR-QGZVFWFLSA-N 1 1 306.406 3.356 20 5 DGBDMO C[C@H](O)C[C@@H]1CCCC[N@H+]1C/C=C/c1ccccc1[N+](=O)[O-] ZINC000280579841 433092498 /nfs/dbraw/zinc/09/24/98/433092498.db2.gz WOWIBDCKYGTZMQ-YKNXIFKJSA-N 1 1 304.390 3.233 20 5 DGBDMO CCC(=O)c1ccc(NCCCn2cc[nH+]c2C)c([N+](=O)[O-])c1 ZINC000280691108 433139832 /nfs/dbraw/zinc/13/98/32/433139832.db2.gz JJGSFVCWKGHFFE-UHFFFAOYSA-N 1 1 316.361 3.195 20 5 DGBDMO CCC(C)(C)[N@@H+](C)CCC(=O)Nc1ccc([N+](=O)[O-])cc1OC ZINC000298392191 433119348 /nfs/dbraw/zinc/11/93/48/433119348.db2.gz GYAHQGKWYXVEEI-UHFFFAOYSA-N 1 1 323.393 3.052 20 5 DGBDMO C[C@H]1[C@@H](Nc2nccc3ccc([N+](=O)[O-])cc32)CCC[N@H+]1C ZINC000413249846 433268515 /nfs/dbraw/zinc/26/85/15/433268515.db2.gz UBBYIXJODSACBC-NHYWBVRUSA-N 1 1 300.362 3.038 20 5 DGBDMO C[C@H](NCC[N@@H+]1CCCC(C)(C)C1)c1ccc([N+](=O)[O-])cc1 ZINC000447560792 433227606 /nfs/dbraw/zinc/22/76/06/433227606.db2.gz ASBQAJOIBFRFLZ-AWEZNQCLSA-N 1 1 305.422 3.367 20 5 DGBDMO C[C@H](NCC[N@H+]1CCCC(C)(C)C1)c1ccc([N+](=O)[O-])cc1 ZINC000447560792 433227613 /nfs/dbraw/zinc/22/76/13/433227613.db2.gz ASBQAJOIBFRFLZ-AWEZNQCLSA-N 1 1 305.422 3.367 20 5 DGBDMO C[C@@H]1CC[N@@H+](CCC(=O)Nc2ccc([N+](=O)[O-])cc2)[C@H](C)C1 ZINC000425523397 433284143 /nfs/dbraw/zinc/28/41/43/433284143.db2.gz OZIFLLPXUYINBZ-CHWSQXEVSA-N 1 1 305.378 3.044 20 5 DGBDMO CCSc1ccc([C@H](C)[NH2+]Cc2c([N+](=O)[O-])ncn2C)cc1 ZINC000341806415 433288371 /nfs/dbraw/zinc/28/83/71/433288371.db2.gz PKEWCJTWLRVTQG-NSHDSACASA-N 1 1 320.418 3.291 20 5 DGBDMO CC1(C)C[C@H](c2ccccc2)[N@@H+](CCn2cc([N+](=O)[O-])cn2)C1 ZINC000425550496 433293545 /nfs/dbraw/zinc/29/35/45/433293545.db2.gz ZPUBDYWPAHZXDD-MRXNPFEDSA-N 1 1 314.389 3.265 20 5 DGBDMO CC(C)[C@H]1[N@@H+](C[C@H](O)c2cccc([N+](=O)[O-])c2)CC12CCC2 ZINC000291887341 433381168 /nfs/dbraw/zinc/38/11/68/433381168.db2.gz JFCLXBDLMQPYPM-JKSUJKDBSA-N 1 1 304.390 3.139 20 5 DGBDMO COCC[N@@H+](Cc1ccc([N+](=O)[O-])cc1C)[C@H]1CCCSC1 ZINC000448374253 433404677 /nfs/dbraw/zinc/40/46/77/433404677.db2.gz KSVHIXZVBCLGAQ-INIZCTEOSA-N 1 1 324.446 3.247 20 5 DGBDMO COc1ccc(C[NH2+]Cc2cc(C)cc(Cl)n2)cc1[N+](=O)[O-] ZINC000281881373 433414385 /nfs/dbraw/zinc/41/43/85/433414385.db2.gz DGUCSEOQBILXQZ-UHFFFAOYSA-N 1 1 321.764 3.250 20 5 DGBDMO Cc1n[nH]cc1C1CC[NH+](Cc2ccc([N+](=O)[O-])c(F)c2)CC1 ZINC000375359172 433441250 /nfs/dbraw/zinc/44/12/50/433441250.db2.gz BOTNLAQOMSWJGB-UHFFFAOYSA-N 1 1 318.352 3.145 20 5 DGBDMO CC[N@H+]1CCCC[C@@H]1CNc1ccc([N+](=O)[O-])c2cnccc12 ZINC000301228448 433460249 /nfs/dbraw/zinc/46/02/49/433460249.db2.gz DCSMHCJSYXLFMU-CYBMUJFWSA-N 1 1 314.389 3.429 20 5 DGBDMO C[N@H+]1CC[C@H](CNc2c(Cl)cc(Cl)cc2[N+](=O)[O-])C1 ZINC000342094387 433465591 /nfs/dbraw/zinc/46/55/91/433465591.db2.gz XYFASUGAVPYVSC-MRVPVSSYSA-N 1 1 304.177 3.265 20 5 DGBDMO CCC[C@@H]([NH2+]Cc1ccn(CC)n1)c1cccc([N+](=O)[O-])c1 ZINC000414207560 433463290 /nfs/dbraw/zinc/46/32/90/433463290.db2.gz KINPKVSQFANQAI-MRXNPFEDSA-N 1 1 302.378 3.442 20 5 DGBDMO C[N@H+]1CC[C@@H]2[C@H](CCCN2c2ccc([N+](=O)[O-])cc2Cl)C1 ZINC000301744513 290182336 /nfs/dbraw/zinc/18/23/36/290182336.db2.gz ZXXCXQSEVJHVTB-BXUZGUMPSA-N 1 1 309.797 3.169 20 5 DGBDMO O=[N+]([O-])c1cccnc1NC[C@@H]1CCC[N@H+]1Cc1ccccc1 ZINC000301278778 433483791 /nfs/dbraw/zinc/48/37/91/433483791.db2.gz JJELBBBGCLTLMP-HNNXBMFYSA-N 1 1 312.373 3.066 20 5 DGBDMO C[C@@H](c1ccccc1[N+](=O)[O-])[N@H+]1CCOC[C@@H](C2CCC2)C1 ZINC000292185607 433495882 /nfs/dbraw/zinc/49/58/82/433495882.db2.gz QXGLBWXVSNSYNP-ZFWWWQNUSA-N 1 1 304.390 3.404 20 5 DGBDMO O=[N+]([O-])c1ccc(-c2noc(C[N@H+]3CC[C@H]4CCC[C@H]43)n2)cc1 ZINC000426461432 433502707 /nfs/dbraw/zinc/50/27/07/433502707.db2.gz PDYKENBEFMLKNV-BXUZGUMPSA-N 1 1 314.345 3.019 20 5 DGBDMO Cc1cc(NCCCC[N@@H+]2C[C@H](C)C[C@H](C)C2)ncc1[N+](=O)[O-] ZINC000301437141 433554442 /nfs/dbraw/zinc/55/44/42/433554442.db2.gz MVSNBCMMEWDDSR-OKILXGFUSA-N 1 1 320.437 3.468 20 5 DGBDMO Cc1cc(NCC(C)(C)[N@H+]2CCC[C@H](C)C2)ncc1[N+](=O)[O-] ZINC000301450655 433561642 /nfs/dbraw/zinc/56/16/42/433561642.db2.gz TZVCCSOQYRORBT-LBPRGKRZSA-N 1 1 306.410 3.221 20 5 DGBDMO O=[N+]([O-])c1ccc(N[C@H]2CC[N@@H+](CC3CCCC3)C2)c(F)c1 ZINC000301419945 433545997 /nfs/dbraw/zinc/54/59/97/433545997.db2.gz CISPDUIYKKFKEL-ZDUSSCGKSA-N 1 1 307.369 3.410 20 5 DGBDMO O=[N+]([O-])c1ccccc1/C=C\C[N@H+]1C[C@H](O)C[C@@H]1c1ccccc1 ZINC000414485406 433648351 /nfs/dbraw/zinc/64/83/51/433648351.db2.gz LHERCCXUAIXWMI-QXAZJNSLSA-N 1 1 324.380 3.416 20 5 DGBDMO CC[N@H+]1CCCC[C@@H]1CNc1ccc2cc([N+](=O)[O-])ccc2n1 ZINC000301570548 433618774 /nfs/dbraw/zinc/61/87/74/433618774.db2.gz XXFXUQBVEZUXRU-OAHLLOKOSA-N 1 1 314.389 3.429 20 5 DGBDMO Cc1ccc(C[N@H+]2C[C@@H](O)C[C@@H]2c2ccccc2)cc1[N+](=O)[O-] ZINC000414491059 433661031 /nfs/dbraw/zinc/66/10/31/433661031.db2.gz WPAJSZKRBUZXBH-FUHWJXTLSA-N 1 1 312.369 3.211 20 5 DGBDMO CCOc1cc(N(C)[C@H]2CC[N@@H+](CC)[C@H](C)C2)ccc1[N+](=O)[O-] ZINC000356780294 433692193 /nfs/dbraw/zinc/69/21/93/433692193.db2.gz ALVRDGYOPOWAIN-HIFRSBDPSA-N 1 1 321.421 3.303 20 5 DGBDMO O=[N+]([O-])c1ccc(C[NH+]2CCC(C3CC3)CC2)c([N+](=O)[O-])c1 ZINC000368334463 293116903 /nfs/dbraw/zinc/11/69/03/293116903.db2.gz HMICQEHQVBFQHY-UHFFFAOYSA-N 1 1 305.334 3.125 20 5 DGBDMO C[C@H](C[N@H+]1CCC[C@@H](C)C1)Nc1ncc(Cl)cc1[N+](=O)[O-] ZINC000301748825 433707595 /nfs/dbraw/zinc/70/75/95/433707595.db2.gz SPBHTQMSGCAZET-GHMZBOCLSA-N 1 1 312.801 3.176 20 5 DGBDMO Cn1cnc([N+](=O)[O-])c1C[N@@H+]1CCC[C@@H]1/C=C/c1ccccc1 ZINC000371631365 293218337 /nfs/dbraw/zinc/21/83/37/293218337.db2.gz CJHGGULEHTYJQL-BOLDSZDNSA-N 1 1 312.373 3.006 20 5 DGBDMO Cn1cnc([N+](=O)[O-])c1C[N@H+]1CCC[C@@H]1/C=C/c1ccccc1 ZINC000371631365 293218339 /nfs/dbraw/zinc/21/83/39/293218339.db2.gz CJHGGULEHTYJQL-BOLDSZDNSA-N 1 1 312.373 3.006 20 5 DGBDMO O=[N+]([O-])c1cc(C[N@H+]2CC[C@H]([C@@H]3CCOC3)C2)ccc1Cl ZINC000374386826 293392638 /nfs/dbraw/zinc/39/26/38/293392638.db2.gz ADLSLJHZOGJAMD-QWHCGFSZSA-N 1 1 310.781 3.107 20 5 DGBDMO C[C@@H](C(=O)Nc1ccc([N+](=O)[O-])cc1)[N@H+]1CC[C@@H](CC2CC2)C1 ZINC000339683110 433729045 /nfs/dbraw/zinc/72/90/45/433729045.db2.gz MKGQNTDABCFHQK-JSGCOSHPSA-N 1 1 317.389 3.044 20 5 DGBDMO C[C@H]1COCC[N@@H+](Cc2ccc(-c3cccc([N+](=O)[O-])c3)o2)C1 ZINC000376495860 433755684 /nfs/dbraw/zinc/75/56/84/433755684.db2.gz RRDXCLUBLGETKM-CYBMUJFWSA-N 1 1 316.357 3.323 20 5 DGBDMO CCc1nc(N[C@@H](C)c2ccc(C)c([N+](=O)[O-])c2)cc(C)[nH+]1 ZINC000342786494 433758348 /nfs/dbraw/zinc/75/83/48/433758348.db2.gz MJTULTZLOKBXLU-LBPRGKRZSA-N 1 1 300.362 3.737 20 5 DGBDMO C[C@H]1C[N@@H+](CCc2ncc(-c3cccc([N+](=O)[O-])c3)o2)[C@H]1C ZINC000293503230 433761015 /nfs/dbraw/zinc/76/10/15/433761015.db2.gz UPKFFBUWEVHGBO-RYUDHWBXSA-N 1 1 301.346 3.133 20 5 DGBDMO CC[N@@H+](Cc1ccc([N+](=O)[O-])cc1OC)[C@@H]1CCOC(C)(C)C1 ZINC000351935325 433802781 /nfs/dbraw/zinc/80/27/81/433802781.db2.gz JGBJIKDTWRVVMF-OAHLLOKOSA-N 1 1 322.405 3.383 20 5 DGBDMO C[NH2+]C[C@@H](C)CNCc1ccc(-c2ccc([N+](=O)[O-])cc2)s1 ZINC000414836521 433875202 /nfs/dbraw/zinc/87/52/02/433875202.db2.gz JNZDDJGUICYZHU-GFCCVEGCSA-N 1 1 319.430 3.268 20 5 DGBDMO Cc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@H+](C)[C@H](C)C1CCC1 ZINC000357025562 433828258 /nfs/dbraw/zinc/82/82/58/433828258.db2.gz ANFGTZDUTDSMFP-CYBMUJFWSA-N 1 1 319.405 3.352 20 5 DGBDMO CCC(N)(CC)C[NH2+][C@@H]1CCC[C@@H]1Cc1ccccc1[N+](=O)[O-] ZINC000414812814 433854173 /nfs/dbraw/zinc/85/41/73/433854173.db2.gz RXICCJOOQJQHQK-GDBMZVCRSA-N 1 1 319.449 3.413 20 5 DGBDMO CC[C@@H]1CCCC[N@H+]1CCNc1c2c(ccc1[N+](=O)[O-])NCC2 ZINC000302891803 433899418 /nfs/dbraw/zinc/89/94/18/433899418.db2.gz PTKHSKUXFBPLEU-CYBMUJFWSA-N 1 1 318.421 3.239 20 5 DGBDMO O=[N+]([O-])c1ccc(-c2nnc(C[N@H+]3CCC[C@H]3C3CC3)o2)cc1 ZINC000377533365 433906288 /nfs/dbraw/zinc/90/62/88/433906288.db2.gz IIFPSCKNEXXESC-AWEZNQCLSA-N 1 1 314.345 3.019 20 5 DGBDMO [NH3+][C@H]1CCC[C@@H](NCc2ccc(-c3ccccc3[N+](=O)[O-])o2)C1 ZINC000414933994 433922262 /nfs/dbraw/zinc/92/22/62/433922262.db2.gz XNPPUKBLCFURAV-QWHCGFSZSA-N 1 1 315.373 3.214 20 5 DGBDMO O=[N+]([O-])c1ccccc1-c1ccc(C[N@@H+]2CCC[C@@H](O)CC2)o1 ZINC000293923951 433927808 /nfs/dbraw/zinc/92/78/08/433927808.db2.gz GXDRWPGMCZPOKA-CYBMUJFWSA-N 1 1 316.357 3.202 20 5 DGBDMO C[C@@H]1CC[C@H](C)[N@@H+]1[C@H]1CCCN(Cc2csc([N+](=O)[O-])c2)C1 ZINC000352310018 434037848 /nfs/dbraw/zinc/03/78/48/434037848.db2.gz FMNVEPQGVNWLAL-GUTXKFCHSA-N 1 1 323.462 3.494 20 5 DGBDMO C[C@H](c1ccccc1)[C@H](O)C[N@@H+](C)Cc1ccccc1[N+](=O)[O-] ZINC000450226512 434038073 /nfs/dbraw/zinc/03/80/73/434038073.db2.gz LHVRDUOVGHXWNT-RDTXWAMCSA-N 1 1 314.385 3.191 20 5 DGBDMO O=[N+]([O-])c1cccc2c1ccnc2N[C@@H]1CC[N@H+]2CCC[C@@H]2C1 ZINC000450253998 434056740 /nfs/dbraw/zinc/05/67/40/434056740.db2.gz RMDUSONUUKVQGO-CHWSQXEVSA-N 1 1 312.373 3.182 20 5 DGBDMO Cn1ccnc1[C@@H]([NH2+]CC(C)(C)C)c1cccc([N+](=O)[O-])c1 ZINC000353408543 434113409 /nfs/dbraw/zinc/11/34/09/434113409.db2.gz ZGZZRQBFSCBNRT-AWEZNQCLSA-N 1 1 302.378 3.053 20 5 DGBDMO CC(C)c1ccc(C[N@@H+](CCO)C2CCCC2)cc1[N+](=O)[O-] ZINC000505282647 294232914 /nfs/dbraw/zinc/23/29/14/294232914.db2.gz CJOJWAYAWWVRTK-UHFFFAOYSA-N 1 1 306.406 3.455 20 5 DGBDMO COc1cc(C[N@H+]2CCC[C@@H]2C(C)C)c([N+](=O)[O-])cc1OC ZINC000507115303 294282541 /nfs/dbraw/zinc/28/25/41/294282541.db2.gz GIBDZXLTGFDADN-CYBMUJFWSA-N 1 1 308.378 3.232 20 5 DGBDMO CO[C@H]1CC[N@H+](Cc2cc([N+](=O)[O-])ccc2Cl)CC1(C)C ZINC000295053198 434165958 /nfs/dbraw/zinc/16/59/58/434165958.db2.gz PUCUQBCSIQBSGX-AWEZNQCLSA-N 1 1 312.797 3.495 20 5 DGBDMO CO[C@H]1CC[N@@H+](Cc2cc([N+](=O)[O-])ccc2Cl)CC1(C)C ZINC000295053198 434165969 /nfs/dbraw/zinc/16/59/69/434165969.db2.gz PUCUQBCSIQBSGX-AWEZNQCLSA-N 1 1 312.797 3.495 20 5 DGBDMO O=[N+]([O-])c1ccc(N[C@H]2CC[N@H+]3CCC[C@@H]3C2)c2ccncc21 ZINC000363942316 434192458 /nfs/dbraw/zinc/19/24/58/434192458.db2.gz BFVAQEHGGWAAKP-QWHCGFSZSA-N 1 1 312.373 3.182 20 5 DGBDMO O=[N+]([O-])c1ccc(N[C@@H]2CC[N@H+]3CCC[C@H]3C2)c2ccncc21 ZINC000363942315 434194120 /nfs/dbraw/zinc/19/41/20/434194120.db2.gz BFVAQEHGGWAAKP-OLZOCXBDSA-N 1 1 312.373 3.182 20 5 DGBDMO C[C@@H]1C[C@H](Nc2ccc3cc([N+](=O)[O-])ccc3n2)CC[N@H+]1C ZINC000317097260 434196135 /nfs/dbraw/zinc/19/61/35/434196135.db2.gz BFCDDLVOWUJPTK-DGCLKSJQSA-N 1 1 300.362 3.038 20 5 DGBDMO COC(=O)c1csc([C@H](C)[NH2+]Cc2ccccc2[N+](=O)[O-])c1 ZINC000286214953 434200653 /nfs/dbraw/zinc/20/06/53/434200653.db2.gz SDYHPUPMHUCYRV-JTQLQIEISA-N 1 1 320.370 3.294 20 5 DGBDMO Cc1ccc([N+](=O)[O-])cc1[C@H](C)[NH2+][C@@H]1C[C@@H](C)n2ccnc21 ZINC000515208009 294545978 /nfs/dbraw/zinc/54/59/78/294545978.db2.gz DOGVJBAXZREYLK-TYNCELHUSA-N 1 1 300.362 3.456 20 5 DGBDMO C[N@H+]1CCN(Cc2csc([N+](=O)[O-])c2)c2ccccc2C1 ZINC000353591823 434256746 /nfs/dbraw/zinc/25/67/46/434256746.db2.gz YRQNUNKKXBOXFR-UHFFFAOYSA-N 1 1 303.387 3.108 20 5 DGBDMO CC(C)[N@H+]1CC[C@H](CNc2ccc3cc([N+](=O)[O-])ccc3n2)C1 ZINC000320387995 434235878 /nfs/dbraw/zinc/23/58/78/434235878.db2.gz SIFUXPMMIQMFMK-CYBMUJFWSA-N 1 1 314.389 3.285 20 5 DGBDMO O=[N+]([O-])c1cccc2c(NC[C@H]3CC[N@H+](C4CC4)C3)ccnc21 ZINC000391238672 434379324 /nfs/dbraw/zinc/37/93/24/434379324.db2.gz XUCUQUBFDWQDPZ-GFCCVEGCSA-N 1 1 312.373 3.039 20 5 DGBDMO CC(C)c1ccc(CN2CC[N@@H+](C)CC2(C)C)cc1[N+](=O)[O-] ZINC000353686860 434341696 /nfs/dbraw/zinc/34/16/96/434341696.db2.gz YHXKZBCBUOVVHF-UHFFFAOYSA-N 1 1 305.422 3.244 20 5 DGBDMO C[N@H+]1CC[C@@H]2CN(c3c(Cl)cc(Cl)cc3[N+](=O)[O-])C[C@@H]21 ZINC000450778689 434403236 /nfs/dbraw/zinc/40/32/36/434403236.db2.gz MBAZHKWOZXDUQG-PELKAZGASA-N 1 1 316.188 3.042 20 5 DGBDMO C[C@H](NC[C@H]1[NH2+]CCc2ccccc21)c1ccc([N+](=O)[O-])cc1 ZINC000423427196 434420120 /nfs/dbraw/zinc/42/01/20/434420120.db2.gz NMWUAQKYNAMBGY-SCLBCKFNSA-N 1 1 311.385 3.132 20 5 DGBDMO CCOc1cccc(NC2C[C@H]3CC[C@@H](C2)[N@@H+]3C)c1[N+](=O)[O-] ZINC000295969069 434459323 /nfs/dbraw/zinc/45/93/23/434459323.db2.gz KBXDIZBVTUDVII-YHWZYXNKSA-N 1 1 305.378 3.031 20 5 DGBDMO CC(C)c1ccc(C[N@H+]2CC[C@H](O)C(C)(C)C2)cc1[N+](=O)[O-] ZINC000438336195 434459530 /nfs/dbraw/zinc/45/95/30/434459530.db2.gz TXMXQZCRNHMBBL-INIZCTEOSA-N 1 1 306.406 3.311 20 5 DGBDMO CC[N@H+](Cc1ccc(-c2ccc([N+](=O)[O-])cc2)o1)C[C@@H](C)O ZINC000348718985 434461531 /nfs/dbraw/zinc/46/15/31/434461531.db2.gz ZBIVZPBOBJSBJD-GFCCVEGCSA-N 1 1 304.346 3.058 20 5 DGBDMO CC(=O)c1cc(NC[C@H]2CCCC[N@H+]2C2CC2)ccc1[N+](=O)[O-] ZINC000287866812 434467873 /nfs/dbraw/zinc/46/78/73/434467873.db2.gz SWVYFXJTCXRUQV-OAHLLOKOSA-N 1 1 317.389 3.226 20 5 DGBDMO CCC1(CC)CC[N@@H+](CCC(=O)Nc2ccc([N+](=O)[O-])cc2)C1 ZINC000438481983 434488402 /nfs/dbraw/zinc/48/84/02/434488402.db2.gz JXERXMYUVZLUGJ-UHFFFAOYSA-N 1 1 319.405 3.436 20 5 DGBDMO CCC1(CC)CC[N@H+]([C@@H](C)C(=O)Nc2ccccc2[N+](=O)[O-])C1 ZINC000438485698 434489001 /nfs/dbraw/zinc/48/90/01/434489001.db2.gz WGKWYMVSXHMTNX-ZDUSSCGKSA-N 1 1 319.405 3.434 20 5 DGBDMO CCOc1cc(N2CCC(c3[nH]cc[nH+]3)CC2)ccc1[N+](=O)[O-] ZINC000348706130 434450578 /nfs/dbraw/zinc/45/05/78/434450578.db2.gz OCGVEWUUGBQYTG-UHFFFAOYSA-N 1 1 316.361 3.101 20 5 DGBDMO C[C@@H]1Cc2[nH+]cn(CCOc3ccccc3[N+](=O)[O-])c2C[C@H]1C ZINC000450994355 434519811 /nfs/dbraw/zinc/51/98/11/434519811.db2.gz CGGYCKCZJOTZFP-CHWSQXEVSA-N 1 1 315.373 3.241 20 5 DGBDMO CCc1ccc([N+](=O)[O-])cc1NC(=O)NCC[N@H+](C)[C@H](C)CC ZINC000353925519 434527334 /nfs/dbraw/zinc/52/73/34/434527334.db2.gz YSEPYQKJXNRDMP-GFCCVEGCSA-N 1 1 322.409 3.009 20 5 DGBDMO O=[N+]([O-])c1ccccc1/C=C/C[N@H+]1CC[C@@H](COC(F)F)C1 ZINC000348882632 434540985 /nfs/dbraw/zinc/54/09/85/434540985.db2.gz ZBRPSQZOKPERTA-OGOUPESXSA-N 1 1 312.316 3.169 20 5 DGBDMO Cc1cc([N+](=O)[O-])cnc1N1CCC[C@H]([N@@H+]2[C@H](C)CC[C@@H]2C)C1 ZINC000408086286 434541184 /nfs/dbraw/zinc/54/11/84/434541184.db2.gz HSSWDHDBHMRQCH-ZNMIVQPWSA-N 1 1 318.421 3.140 20 5 DGBDMO CC[C@@H](C)C[N@@H+](CC)Cc1cc(OC)c(OC)cc1[N+](=O)[O-] ZINC000354033637 434587109 /nfs/dbraw/zinc/58/71/09/434587109.db2.gz MKMDXDMCLVIJNF-GFCCVEGCSA-N 1 1 310.394 3.480 20 5 DGBDMO C[C@H]1CC[N@@H+](Cc2ccc(-c3cccc([N+](=O)[O-])c3)o2)C[C@H]1O ZINC000349350881 434685545 /nfs/dbraw/zinc/68/55/45/434685545.db2.gz PMJHCONZVCHQML-BLLLJJGKSA-N 1 1 316.357 3.058 20 5 DGBDMO C[N@@H+](Cc1nc(-c2ccc([N+](=O)[O-])cc2)no1)C1CC(C)(C)C1 ZINC000459738885 434688841 /nfs/dbraw/zinc/68/88/41/434688841.db2.gz JUYNBELGAKOSJU-UHFFFAOYSA-N 1 1 316.361 3.265 20 5 DGBDMO CC(C)c1ccc(C[NH2+][C@H](C)c2ccn(C)n2)cc1[N+](=O)[O-] ZINC000459759832 434703845 /nfs/dbraw/zinc/70/38/45/434703845.db2.gz RHMBWVXSOKKCBJ-GFCCVEGCSA-N 1 1 302.378 3.303 20 5 DGBDMO CCn1c(C)nc([N+](=O)[O-])c1NCCCC[N@H+]1CCC[C@@H](C)C1 ZINC000360961842 434743457 /nfs/dbraw/zinc/74/34/57/434743457.db2.gz VLWFIFQYJDAJBU-CYBMUJFWSA-N 1 1 323.441 3.044 20 5 DGBDMO C[C@@H]1C[N@@H+](C)[C@H](C)CN1c1ccc([N+](=O)[O-])c(OC(C)(C)C)c1 ZINC000443504667 434778054 /nfs/dbraw/zinc/77/80/54/434778054.db2.gz YQZYBNAZEUDDTE-CHWSQXEVSA-N 1 1 321.421 3.301 20 5 DGBDMO CC[C@H]1CC[C@H](C)[N@H+]1CCC(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000411445366 434781385 /nfs/dbraw/zinc/78/13/85/434781385.db2.gz OSXCWWMAXMPNIA-JSGCOSHPSA-N 1 1 305.378 3.186 20 5 DGBDMO Cc1ccc([N+](=O)[O-])cc1[C@@H](C)[N@H+]1CCCc2c(cnn2C)C1 ZINC000411844702 434835117 /nfs/dbraw/zinc/83/51/17/434835117.db2.gz CXIYAAZWLGSJEU-CYBMUJFWSA-N 1 1 314.389 3.146 20 5 DGBDMO C/C(=C\c1cccc([N+](=O)[O-])c1)C[N@H+]1CC[C@H](n2cccn2)C1 ZINC000361239745 434838771 /nfs/dbraw/zinc/83/87/71/434838771.db2.gz XQSMNHJVKXUTNE-SHRNQRGKSA-N 1 1 312.373 3.142 20 5 DGBDMO CC[N@@H+](CCOc1ccccc1[N+](=O)[O-])Cc1occc1C ZINC000412023300 434854291 /nfs/dbraw/zinc/85/42/91/434854291.db2.gz BVHVSODMDKSGSD-UHFFFAOYSA-N 1 1 304.346 3.397 20 5 DGBDMO CCC[C@@H]1[C@@H](C)CCC[N@H+]1CC(=O)Nc1ccccc1[N+](=O)[O-] ZINC000464740276 434995529 /nfs/dbraw/zinc/99/55/29/434995529.db2.gz QATHSECNPFJSMA-DZGCQCFKSA-N 1 1 319.405 3.434 20 5 DGBDMO CC[C@]1(C)CCC[N@@H+](CCOc2ccc(OC)cc2[N+](=O)[O-])C1 ZINC000464779750 434999290 /nfs/dbraw/zinc/99/92/90/434999290.db2.gz PQVGSYGYVPTPCN-QGZVFWFLSA-N 1 1 322.405 3.494 20 5 DGBDMO C[C@@H]1Cc2ccccc2C[N@H+]1CCOc1cccc([N+](=O)[O-])c1 ZINC000525126276 435005752 /nfs/dbraw/zinc/00/57/52/435005752.db2.gz SDICJTIFTOVIIE-CQSZACIVSA-N 1 1 312.369 3.420 20 5 DGBDMO C[N@H+]1CCN(Cc2ccccc2[N+](=O)[O-])C2(CCCCC2)C1 ZINC000530925965 435061470 /nfs/dbraw/zinc/06/14/70/435061470.db2.gz OGLWNUZZLRQHQX-UHFFFAOYSA-N 1 1 303.406 3.045 20 5 DGBDMO C[C@@H]1CC[N@H+](CCN[C@@H]2CC(C)(C)c3ccc([N+](=O)[O-])cc32)C1 ZINC000578301194 435073221 /nfs/dbraw/zinc/07/32/21/435073221.db2.gz LHUWOAHANUNIMT-CXAGYDPISA-N 1 1 317.433 3.249 20 5 DGBDMO C[C@@H]1CC[N@@H+](CCN[C@@H]2CC(C)(C)c3ccc([N+](=O)[O-])cc32)C1 ZINC000578301194 435073224 /nfs/dbraw/zinc/07/32/24/435073224.db2.gz LHUWOAHANUNIMT-CXAGYDPISA-N 1 1 317.433 3.249 20 5 DGBDMO CCC[C@H]1CCC[N@@H+](CCC(=O)Nc2ccc([N+](=O)[O-])cc2)C1 ZINC000466471716 435077933 /nfs/dbraw/zinc/07/79/33/435077933.db2.gz FTGHCKHSMOAZHY-AWEZNQCLSA-N 1 1 319.405 3.436 20 5 DGBDMO C/C(=C\c1cccc([N+](=O)[O-])c1)C[N@H+]1CCC[C@H](CO)CC1 ZINC000556966756 435041254 /nfs/dbraw/zinc/04/12/54/435041254.db2.gz CLBPQXBGAQRVMA-IPJDOKCGSA-N 1 1 304.390 3.093 20 5 DGBDMO C/C(=C\c1cccc([N+](=O)[O-])c1)C[N@H+]1CC[C@@H]2OCC[C@@H]2C1 ZINC000578653159 435099575 /nfs/dbraw/zinc/09/95/75/435099575.db2.gz PIWXXEOYMYJDSV-IQUZECRKSA-N 1 1 302.374 3.109 20 5 DGBDMO Cc1ccc2nc(C[NH2+][C@H]3CCc4c3cccc4[N+](=O)[O-])cn2c1 ZINC000578786896 435108653 /nfs/dbraw/zinc/10/86/53/435108653.db2.gz XWKDGZIBQSKTAB-INIZCTEOSA-N 1 1 322.368 3.328 20 5 DGBDMO CC[N@@H+]1CCCC[C@@H]1CN[C@H](C)c1cc([N+](=O)[O-])ccc1C ZINC000531714970 435112515 /nfs/dbraw/zinc/11/25/15/435112515.db2.gz IIRNEVBJPFWIBF-GDBMZVCRSA-N 1 1 305.422 3.428 20 5 DGBDMO CC[N@H+]1CCCC[C@@H]1CN[C@H](C)c1cc([N+](=O)[O-])ccc1C ZINC000531714970 435112519 /nfs/dbraw/zinc/11/25/19/435112519.db2.gz IIRNEVBJPFWIBF-GDBMZVCRSA-N 1 1 305.422 3.428 20 5 DGBDMO Cc1ccc([N+](=O)[O-])cc1[C@H](C)NCC[N@H+]1CCC[C@@H](C)C1 ZINC000532458802 435168006 /nfs/dbraw/zinc/16/80/06/435168006.db2.gz LRMHAZFBNIBATN-HIFRSBDPSA-N 1 1 305.422 3.286 20 5 DGBDMO C[NH+](C)C1(CN[C@H]2CCCc3ccc([N+](=O)[O-])cc32)CCC1 ZINC000583851894 435249469 /nfs/dbraw/zinc/24/94/69/435249469.db2.gz PGIFDHZRDSDQSX-INIZCTEOSA-N 1 1 303.406 3.046 20 5 DGBDMO Cc1cccc([N+](=O)[O-])c1NC(=O)C[N@H+]1CC[C@@H](C)C(C)(C)C1 ZINC000562122776 435254442 /nfs/dbraw/zinc/25/44/42/435254442.db2.gz DGCHNMXLNPZSRT-CYBMUJFWSA-N 1 1 319.405 3.210 20 5 DGBDMO Cc1cccc([N+](=O)[O-])c1NC(=O)C[N@@H+]1CC[C@@H](C)C(C)(C)C1 ZINC000562122776 435254447 /nfs/dbraw/zinc/25/44/47/435254447.db2.gz DGCHNMXLNPZSRT-CYBMUJFWSA-N 1 1 319.405 3.210 20 5 DGBDMO Cc1ccc([N+](=O)[O-])cc1[C@@H](C)[N@@H+]1CCO[C@](C)(C2CC2)C1 ZINC000595625858 435309276 /nfs/dbraw/zinc/30/92/76/435309276.db2.gz PKZPCAZRRQCPOY-DYVFJYSZSA-N 1 1 304.390 3.465 20 5 DGBDMO Cc1ccc([N+](=O)[O-])cc1[C@@H](C)[N@H+]1CCO[C@](C)(C2CC2)C1 ZINC000595625858 435309280 /nfs/dbraw/zinc/30/92/80/435309280.db2.gz PKZPCAZRRQCPOY-DYVFJYSZSA-N 1 1 304.390 3.465 20 5 DGBDMO Cc1ccc(C[N@H+](Cc2ccccc2)C[C@@H](C)O)cc1[N+](=O)[O-] ZINC000535079638 435318056 /nfs/dbraw/zinc/31/80/56/435318056.db2.gz AWICWFPKZVLAPN-OAHLLOKOSA-N 1 1 314.385 3.286 20 5 DGBDMO CCC(=O)c1ccc(N[C@@H]2CC[N@@H+](C)[C@@H](C)C2)c([N+](=O)[O-])c1 ZINC000480005090 435361436 /nfs/dbraw/zinc/36/14/36/435361436.db2.gz FYOMBFVCYXPWGO-WCQYABFASA-N 1 1 305.378 3.082 20 5 DGBDMO O=[N+]([O-])c1ccccc1/C=C\C[N@H+]1CCC[C@@H]1[C@H]1CCCOC1 ZINC000567887388 435364229 /nfs/dbraw/zinc/36/42/29/435364229.db2.gz JJDQHORSBZNHHU-CKYZQKIHSA-N 1 1 316.401 3.499 20 5 DGBDMO COc1ccc([N+](=O)[O-])c(N2CCC(C[N@@H+](C)C(C)C)CC2)c1 ZINC000536994385 435421603 /nfs/dbraw/zinc/42/16/03/435421603.db2.gz UHCGRCAXGCNXAL-UHFFFAOYSA-N 1 1 321.421 3.160 20 5 DGBDMO COc1cccc(N[C@H]2C[N@@H+](C)Cc3ccccc32)c1[N+](=O)[O-] ZINC000536560484 435387885 /nfs/dbraw/zinc/38/78/85/435387885.db2.gz UWEPFHZPXNKQHW-HNNXBMFYSA-N 1 1 313.357 3.202 20 5 DGBDMO COC1(C[N@H+]2CCc3ccc([N+](=O)[O-])cc3C2)CCCCC1 ZINC000483279349 435505004 /nfs/dbraw/zinc/50/50/04/435505004.db2.gz QYHKZRXNLWSQRP-UHFFFAOYSA-N 1 1 304.390 3.302 20 5 DGBDMO CC[N@@H+]1CCCC[C@H]1CN[C@@H](C)c1cccc([N+](=O)[O-])c1C ZINC000482866023 435485235 /nfs/dbraw/zinc/48/52/35/435485235.db2.gz DTTBFNPZJRTJEE-GJZGRUSLSA-N 1 1 305.422 3.428 20 5 DGBDMO CC[N@H+]1CCCC[C@H]1CN[C@@H](C)c1cccc([N+](=O)[O-])c1C ZINC000482866023 435485239 /nfs/dbraw/zinc/48/52/39/435485239.db2.gz DTTBFNPZJRTJEE-GJZGRUSLSA-N 1 1 305.422 3.428 20 5 DGBDMO CCCC[C@H](C)[N@@H+](C)CC(=O)Nc1ccc([N+](=O)[O-])cc1C ZINC000569652101 435548303 /nfs/dbraw/zinc/54/83/03/435548303.db2.gz XZCHIVWUTQPWFG-ZDUSSCGKSA-N 1 1 307.394 3.352 20 5 DGBDMO CCOc1cc(C[N@@H+]2C[C@@H](C)S[C@@H](C)C2)ccc1[N+](=O)[O-] ZINC000569647985 435549522 /nfs/dbraw/zinc/54/95/22/435549522.db2.gz TYKKRGHQPVJPKS-TXEJJXNPSA-N 1 1 310.419 3.319 20 5 DGBDMO O=[N+]([O-])c1ccccc1C[N@H+](C[C@H]1CCCC[C@H]1O)C1CC1 ZINC000516774551 435551922 /nfs/dbraw/zinc/55/19/22/435551922.db2.gz VPGBGIGXWSXWKE-RHSMWYFYSA-N 1 1 304.390 3.110 20 5 DGBDMO COCC[N@@H+](CCc1ccc([N+](=O)[O-])cc1)C[C@@H]1CC=CCC1 ZINC000485129394 435560790 /nfs/dbraw/zinc/56/07/90/435560790.db2.gz QTALYWLNWDYLGH-QGZVFWFLSA-N 1 1 318.417 3.442 20 5 DGBDMO CC[NH+]1CC[C@H]([N@H+](C)C/C=C\c2ccccc2[N+](=O)[O-])C[C@@H]1C ZINC000539818647 435571159 /nfs/dbraw/zinc/57/11/59/435571159.db2.gz CAVPKYIISJLVPQ-GPXGYGPYSA-N 1 1 317.433 3.413 20 5 DGBDMO CC[NH+]1CC[C@H]([N@@H+](C)C/C=C\c2ccccc2[N+](=O)[O-])C[C@@H]1C ZINC000539818647 435571165 /nfs/dbraw/zinc/57/11/65/435571165.db2.gz CAVPKYIISJLVPQ-GPXGYGPYSA-N 1 1 317.433 3.413 20 5 DGBDMO Cc1cc(N2CC[N@H+]([C@@H]3C[C@@H]3C)C[C@H](C)C2)ccc1[N+](=O)[O-] ZINC000488749810 435642971 /nfs/dbraw/zinc/64/29/71/435642971.db2.gz JTNAJRZBBBNQQN-HACGYAERSA-N 1 1 303.406 3.070 20 5 DGBDMO CC(C)[N@@H+](C)C[C@H](C)Nc1ccc([N+](=O)[O-])cc1OC(F)F ZINC000570867565 435657716 /nfs/dbraw/zinc/65/77/16/435657716.db2.gz LJTIEMUMGVIBTK-JTQLQIEISA-N 1 1 317.336 3.337 20 5 DGBDMO CCOc1cccc(N[C@H]2C[C@H](C)[N@H+](C3CC3)C2)c1[N+](=O)[O-] ZINC000571218329 435688758 /nfs/dbraw/zinc/68/87/58/435688758.db2.gz NFXDHOHPHLUWMK-RYUDHWBXSA-N 1 1 305.378 3.031 20 5 DGBDMO C[N@@H+](CCC(=O)c1ccccc1)CCc1cccc([N+](=O)[O-])c1 ZINC000549171462 435747214 /nfs/dbraw/zinc/74/72/14/435747214.db2.gz BYYHKNIMZLWNQD-UHFFFAOYSA-N 1 1 312.369 3.342 20 5 DGBDMO C[C@H](C[NH+]1CCC(C)CC1)N[C@@H]1CCc2c1cccc2[N+](=O)[O-] ZINC000572900433 435879569 /nfs/dbraw/zinc/87/95/69/435879569.db2.gz DYNKCQLLENXMRC-RHSMWYFYSA-N 1 1 317.433 3.292 20 5 DGBDMO Cn1cc[nH+]c1[C@@H]1CCCN(c2cc(Cl)ccc2[N+](=O)[O-])C1 ZINC000376487990 312954798 /nfs/dbraw/zinc/95/47/98/312954798.db2.gz YCMSBYPENUUFMT-LLVKDONJSA-N 1 1 320.780 3.366 20 5 DGBDMO O=[N+]([O-])c1ccc2c(c1)[C@H]([NH2+]Cc1ncccc1F)CCC2 ZINC000530366093 313362069 /nfs/dbraw/zinc/36/20/69/313362069.db2.gz GSRMABJNTYWCRN-OAHLLOKOSA-N 1 1 301.321 3.296 20 5 DGBDMO C[N@@H+](CCc1ccc([N+](=O)[O-])cc1)CCc1ccccc1O ZINC000542318435 314069212 /nfs/dbraw/zinc/06/92/12/314069212.db2.gz SBLOFJKDYDQSLH-UHFFFAOYSA-N 1 1 300.358 3.017 20 5 DGBDMO O=[N+]([O-])c1ccc(C[N@H+](C[C@H]2CCCC[C@H]2O)C2CC2)cc1 ZINC000565988845 315302789 /nfs/dbraw/zinc/30/27/89/315302789.db2.gz GKOTTZZSHODCCE-RHSMWYFYSA-N 1 1 304.390 3.110 20 5 DGBDMO COCCc1cc[nH+]c(N[C@@H]2CCc3c2cccc3[N+](=O)[O-])c1 ZINC000567486926 315425457 /nfs/dbraw/zinc/42/54/57/315425457.db2.gz YIUWZMVICRELMS-OAHLLOKOSA-N 1 1 313.357 3.278 20 5 DGBDMO CCOc1ccc([N+](=O)[O-])cc1C[N@@H+]1CCC(F)(F)[C@H](C)C1 ZINC000577326386 316224424 /nfs/dbraw/zinc/22/44/24/316224424.db2.gz NBHYNCWLRDZJDL-LLVKDONJSA-N 1 1 314.332 3.471 20 5 DGBDMO CCOc1ccc([N+](=O)[O-])cc1C[N@H+]1CCC(F)(F)[C@H](C)C1 ZINC000577326386 316224427 /nfs/dbraw/zinc/22/44/27/316224427.db2.gz NBHYNCWLRDZJDL-LLVKDONJSA-N 1 1 314.332 3.471 20 5 DGBDMO O=[N+]([O-])c1ccc(OC(F)F)c(C[NH+]2CC(C3CCC3)C2)c1 ZINC000580676946 324024381 /nfs/dbraw/zinc/02/43/81/324024381.db2.gz HBSYLJQHKRXBKY-UHFFFAOYSA-N 1 1 312.316 3.428 20 5 DGBDMO COc1ccc([N+](=O)[O-])cc1C[N@@H+]1CCC[C@@H]1c1ccccn1 ZINC000582583985 324248612 /nfs/dbraw/zinc/24/86/12/324248612.db2.gz FVNNLMILEJVNTJ-MRXNPFEDSA-N 1 1 313.357 3.336 20 5 DGBDMO COc1ccc([N+](=O)[O-])cc1C[N@H+]1CCC[C@@H]1c1ccccn1 ZINC000582583985 324248616 /nfs/dbraw/zinc/24/86/16/324248616.db2.gz FVNNLMILEJVNTJ-MRXNPFEDSA-N 1 1 313.357 3.336 20 5 DGBDMO C[C@@H](CN[C@@H]1CCc2c1cccc2[N+](=O)[O-])[N@@H+]1CCCC[C@H]1C ZINC000584479704 337348551 /nfs/dbraw/zinc/34/85/51/337348551.db2.gz CYTRLIJYCOBHGU-JKIFEVAISA-N 1 1 317.433 3.435 20 5 DGBDMO C[C@@H](CN[C@@H]1CCc2c1cccc2[N+](=O)[O-])[N@H+]1CCCC[C@H]1C ZINC000584479704 337348552 /nfs/dbraw/zinc/34/85/52/337348552.db2.gz CYTRLIJYCOBHGU-JKIFEVAISA-N 1 1 317.433 3.435 20 5 DGBDMO CS[C@H]1CCCC[N@@H+](CCOc2cccc([N+](=O)[O-])c2)C1 ZINC000441110380 534086322 /nfs/dbraw/zinc/08/63/22/534086322.db2.gz HEDFMFGXNZZQSY-HNNXBMFYSA-N 1 1 310.419 3.191 20 5 DGBDMO COc1cc(N2CCC([N@H+]3CCC[C@H]3C)CC2)ccc1[N+](=O)[O-] ZINC000154899635 522629160 /nfs/dbraw/zinc/62/91/60/522629160.db2.gz XZONLOUCTKRCLO-CYBMUJFWSA-N 1 1 319.405 3.057 20 5 DGBDMO C/C(=C/c1cccc([N+](=O)[O-])c1)C[N@@H+]1CCO[C@H]2CCC[C@H]21 ZINC000430884234 527502542 /nfs/dbraw/zinc/50/25/42/527502542.db2.gz VPBFVVVSTWEJFO-WQEVNMHISA-N 1 1 302.374 3.251 20 5 DGBDMO C/C(=C/c1cccc([N+](=O)[O-])c1)C[N@H+]1CCO[C@H]2CCC[C@H]21 ZINC000430884234 527502549 /nfs/dbraw/zinc/50/25/49/527502549.db2.gz VPBFVVVSTWEJFO-WQEVNMHISA-N 1 1 302.374 3.251 20 5 DGBDMO CC[N@H+]1CC[C@H]2CC[C@@H](C1)N2Cc1ccc(Cl)cc1[N+](=O)[O-] ZINC000177334217 527899215 /nfs/dbraw/zinc/89/92/15/527899215.db2.gz ZTNVTXQZHHFWNE-CABCVRRESA-N 1 1 323.824 3.307 20 5 DGBDMO CCC[N@@H+](CC)CCNc1cc(C(F)(F)F)ncc1[N+](=O)[O-] ZINC000318702129 527979628 /nfs/dbraw/zinc/97/96/28/527979628.db2.gz HONXHDGCEIPLPY-UHFFFAOYSA-N 1 1 320.315 3.152 20 5 DGBDMO CCC[N@@H+]1Cc2cccc(NC(=O)CCC(C)(C)[N+](=O)[O-])c2C1 ZINC000294525332 528326311 /nfs/dbraw/zinc/32/63/11/528326311.db2.gz INCAOJRRMDPMNL-UHFFFAOYSA-N 1 1 319.405 3.186 20 5 DGBDMO CCC[N@H+]1Cc2cccc(NC(=O)CCC(C)(C)[N+](=O)[O-])c2C1 ZINC000294525332 528326318 /nfs/dbraw/zinc/32/63/18/528326318.db2.gz INCAOJRRMDPMNL-UHFFFAOYSA-N 1 1 319.405 3.186 20 5 DGBDMO CCOc1cc(NCC[N@@H+]2CC=C(C)CC2)ccc1[N+](=O)[O-] ZINC000302136251 528326713 /nfs/dbraw/zinc/32/67/13/528326713.db2.gz DXPJXRAFPQMQMR-UHFFFAOYSA-N 1 1 305.378 3.057 20 5 DGBDMO CC[C@@H]1CCC[N@H+]([C@H](C)C(=O)Nc2ccccc2[N+](=O)[O-])C1 ZINC000330783618 529299138 /nfs/dbraw/zinc/29/91/38/529299138.db2.gz ILOIKOXPQIDPRE-CHWSQXEVSA-N 1 1 305.378 3.044 20 5 DGBDMO C[N@H+](Cc1coc(-c2ccc([N+](=O)[O-])cc2)n1)[C@H]1CC1(C)C ZINC000489459536 536485699 /nfs/dbraw/zinc/48/56/99/536485699.db2.gz CCWAWYQGKXBCGI-AWEZNQCLSA-N 1 1 301.346 3.480 20 5 DGBDMO C[N@@H+](Cc1coc(-c2ccc([N+](=O)[O-])cc2)n1)[C@H]1CC1(C)C ZINC000489459536 536485700 /nfs/dbraw/zinc/48/57/00/536485700.db2.gz CCWAWYQGKXBCGI-AWEZNQCLSA-N 1 1 301.346 3.480 20 5 DGBDMO CC[C@H](C)C[N@@H+](C)CC(=O)Nc1cc(Cl)ccc1[N+](=O)[O-] ZINC000732205752 574568064 /nfs/dbraw/zinc/56/80/64/574568064.db2.gz LMEVSWIUMWLUQT-JTQLQIEISA-N 1 1 313.785 3.165 20 5 DGBDMO C[C@@H]1CCC[C@@H](C)[N@@H+](Cn2ncc3cc([N+](=O)[O-])ccc32)C1 ZINC000742154487 574841667 /nfs/dbraw/zinc/84/16/67/574841667.db2.gz KIYLIZCTVSXTGJ-CHWSQXEVSA-N 1 1 302.378 3.413 20 5 DGBDMO C[C@@H]1Cc2ccccc2C[N@@H+]1Cn1ncc2cc([N+](=O)[O-])ccc21 ZINC000742159338 574982965 /nfs/dbraw/zinc/98/29/65/574982965.db2.gz NYMNULAPUNCZNP-CYBMUJFWSA-N 1 1 322.368 3.349 20 5 DGBDMO C[C@@H]1Cc2ccccc2C[N@H+]1Cn1ncc2cc([N+](=O)[O-])ccc21 ZINC000742159338 574982967 /nfs/dbraw/zinc/98/29/67/574982967.db2.gz NYMNULAPUNCZNP-CYBMUJFWSA-N 1 1 322.368 3.349 20 5 DGBDMO C[C@@H]1CCC[C@H](C)[N@@H+](Cn2ncc3ccc([N+](=O)[O-])cc32)C1 ZINC000742155434 574983000 /nfs/dbraw/zinc/98/30/00/574983000.db2.gz RMVKDBUAEXEADD-OLZOCXBDSA-N 1 1 302.378 3.413 20 5 DGBDMO C[C@@H]1C[C@@H](Nc2nc3ccc([N+](=O)[O-])cc3s2)CC[N@H+]1C ZINC000742412031 574997605 /nfs/dbraw/zinc/99/76/05/574997605.db2.gz MQOUTGXCWLRTRQ-ZJUUUORDSA-N 1 1 306.391 3.099 20 5 DGBDMO CC[C@@H](O)[C@H]1CCCC[N@H+]1Cc1cc(Cl)ccc1[N+](=O)[O-] ZINC000746669487 575289198 /nfs/dbraw/zinc/28/91/98/575289198.db2.gz DJSJUJQCPUALQY-HUUCEWRRSA-N 1 1 312.797 3.374 20 5 DGBDMO CC(=O)c1ccc(N2CCC[N@H+](C(C)(C)C)CC2)c([N+](=O)[O-])c1 ZINC000746090203 575432323 /nfs/dbraw/zinc/43/23/23/575432323.db2.gz UPBAXVUBLIDSEV-UHFFFAOYSA-N 1 1 319.405 3.108 20 5 DGBDMO O=[N+]([O-])c1cc(C[N@H+]2CCC[C@H]([C@@H]3CCOC3)C2)ccc1Cl ZINC000749556661 575664570 /nfs/dbraw/zinc/66/45/70/575664570.db2.gz CFTZWGYKYMVEOH-UONOGXRCSA-N 1 1 324.808 3.497 20 5 DGBDMO CC[N@H+](CCC(F)(F)F)Cn1ncc2cc([N+](=O)[O-])ccc21 ZINC000748294745 576077347 /nfs/dbraw/zinc/07/73/47/576077347.db2.gz CIANOTMVJQURRX-UHFFFAOYSA-N 1 1 316.283 3.176 20 5 DGBDMO CC[N@@H+](CCC(F)(F)F)Cn1ncc2cc([N+](=O)[O-])ccc21 ZINC000748294745 576077348 /nfs/dbraw/zinc/07/73/48/576077348.db2.gz CIANOTMVJQURRX-UHFFFAOYSA-N 1 1 316.283 3.176 20 5 DGBDMO CC1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000852700721 620641799 /nfs/dbraw/zinc/64/17/99/620641799.db2.gz SFMOLCFCJHAYRU-VGPLMAKISA-N 1 1 305.334 3.266 20 5 DGBDMO Cc1cccc(C)c1[C@H]1CCC[N@@H+]1Cn1nccc1[N+](=O)[O-] ZINC000853523008 620706115 /nfs/dbraw/zinc/70/61/15/620706115.db2.gz QUMBIPLUOHTUGX-CQSZACIVSA-N 1 1 300.362 3.203 20 5 DGBDMO Cc1cccc(C)c1[C@H]1CCC[N@H+]1Cn1nccc1[N+](=O)[O-] ZINC000853523008 620706116 /nfs/dbraw/zinc/70/61/16/620706116.db2.gz QUMBIPLUOHTUGX-CQSZACIVSA-N 1 1 300.362 3.203 20 5 DGBDMO Cn1c[nH+]cc1CCOc1cc(Cl)c(Cl)cc1[N+](=O)[O-] ZINC000853694937 620725732 /nfs/dbraw/zinc/72/57/32/620725732.db2.gz WMMLPSLLRRMQJJ-UHFFFAOYSA-N 1 1 316.144 3.257 20 5 DGBDMO Cc1nn(C[N@@H+]2CCSC(C)(C)C2)c2cc([N+](=O)[O-])ccc12 ZINC000121247736 617604388 /nfs/dbraw/zinc/60/43/88/617604388.db2.gz PVDXKKSCRARFFS-UHFFFAOYSA-N 1 1 320.418 3.038 20 5 DGBDMO Cc1nn(C[N@H+]2CCSC(C)(C)C2)c2cc([N+](=O)[O-])ccc12 ZINC000121247736 617604394 /nfs/dbraw/zinc/60/43/94/617604394.db2.gz PVDXKKSCRARFFS-UHFFFAOYSA-N 1 1 320.418 3.038 20 5 DGBDMO CC[N@@H+](CC1CC1)Cn1cc(-c2ccc([N+](=O)[O-])cc2)cn1 ZINC000112199982 620798444 /nfs/dbraw/zinc/79/84/44/620798444.db2.gz OENFBJUCFLCZGF-UHFFFAOYSA-N 1 1 300.362 3.148 20 5 DGBDMO CC1=NO[C@@H](C[NH2+]Cc2cc(Cl)cc(Cl)c2[N+](=O)[O-])C1 ZINC000895303771 618592306 /nfs/dbraw/zinc/59/23/06/618592306.db2.gz CRSWBTSCJZSWNR-SNVBAGLBSA-N 1 1 318.160 3.156 20 5 DGBDMO C/C(=C/c1cccc([N+](=O)[O-])c1)CN1CC[N@H+](C)C(C)(C)C1 ZINC000895564571 618799496 /nfs/dbraw/zinc/79/94/96/618799496.db2.gz IZFURJPOHNCZOX-UVTDQMKNSA-N 1 1 303.406 3.024 20 5 DGBDMO C/C(=C/c1cccc([N+](=O)[O-])c1)C[N@H+]1CCN(C)C(C)(C)C1 ZINC000895564571 618799497 /nfs/dbraw/zinc/79/94/97/618799497.db2.gz IZFURJPOHNCZOX-UVTDQMKNSA-N 1 1 303.406 3.024 20 5 DGBDMO C/C(=C/c1cccc([N+](=O)[O-])c1)C[N@@H+]1CCN(C)C(C)(C)C1 ZINC000895564571 618799498 /nfs/dbraw/zinc/79/94/98/618799498.db2.gz IZFURJPOHNCZOX-UVTDQMKNSA-N 1 1 303.406 3.024 20 5 DGBDMO Cn1nccc1[C@H]1CCCN1c1cc[nH+]c2ccc([N+](=O)[O-])cc21 ZINC000895720573 618823406 /nfs/dbraw/zinc/82/34/06/618823406.db2.gz YFAGAZUIDGQLNN-QGZVFWFLSA-N 1 1 323.356 3.218 20 5 DGBDMO CCO[C@H]1CC[N@@H+](Cc2ccc(C(F)(F)F)cc2[N+](=O)[O-])C1 ZINC000897068721 619011190 /nfs/dbraw/zinc/01/11/90/619011190.db2.gz YIXPXWYXPUNRQO-LBPRGKRZSA-N 1 1 318.295 3.224 20 5 DGBDMO CCCC[N@@H+](C)C[C@@H](C)NC(=O)c1c(C)c(C)ccc1[N+](=O)[O-] ZINC000897793703 619183157 /nfs/dbraw/zinc/18/31/57/619183157.db2.gz YDAOSMBVPUVPLQ-CYBMUJFWSA-N 1 1 321.421 3.062 20 5 DGBDMO C[C@@H](NC(=O)CC[C@H]1CCCC[N@H+]1C)c1ccc([N+](=O)[O-])cc1 ZINC000900653755 619442801 /nfs/dbraw/zinc/44/28/01/619442801.db2.gz MFTYJKJJMSWSAC-UKRRQHHQSA-N 1 1 319.405 3.037 20 5 DGBDMO Cc1cn(Cc2c(Br)cccc2[N+](=O)[O-])c(C)[nH+]1 ZINC000901531580 619512011 /nfs/dbraw/zinc/51/20/11/619512011.db2.gz ZTZJMUZOSRCORA-UHFFFAOYSA-N 1 1 310.151 3.219 20 5 DGBDMO C[C@H](C[NH2+][C@@H]1C[C@@H](N)c2ccccc21)c1ccccc1[N+](=O)[O-] ZINC000902428317 619634165 /nfs/dbraw/zinc/63/41/65/619634165.db2.gz BULKSIIIEWTMAI-CSMYWGQOSA-N 1 1 311.385 3.433 20 5 DGBDMO C[C@H](CN[C@@H]1C[C@@H]([NH3+])c2ccccc21)c1ccccc1[N+](=O)[O-] ZINC000902428317 619634167 /nfs/dbraw/zinc/63/41/67/619634167.db2.gz BULKSIIIEWTMAI-CSMYWGQOSA-N 1 1 311.385 3.433 20 5 DGBDMO [NH3+][C@@H]1c2ccccc2C[C@H]1N[C@@H]1CCCc2ccc([N+](=O)[O-])cc21 ZINC000902435528 619635891 /nfs/dbraw/zinc/63/58/91/619635891.db2.gz UOOJMXWVSOAVIE-GUDVDZBRSA-N 1 1 323.396 3.187 20 5 DGBDMO CC[C@H](N[C@@H]1Cc2ccccc2[C@H]1[NH3+])c1cccc([N+](=O)[O-])c1 ZINC000902438269 619636174 /nfs/dbraw/zinc/63/61/74/619636174.db2.gz LWPSKCUSLOWQJO-RCCFBDPRSA-N 1 1 311.385 3.260 20 5 DGBDMO C[C@H](NC1C[C@H]2CC[C@@H](C1)[N@@H+]2C1CC1)c1ccccc1[N+](=O)[O-] ZINC000903131635 619723325 /nfs/dbraw/zinc/72/33/25/619723325.db2.gz JMNJLDWBQUDPTI-WYQXTGKHSA-N 1 1 315.417 3.403 20 5 DGBDMO COc1cc([C@@H](C)NC[C@H]2CC[N@@H+]2C(C)(C)C)cc([N+](=O)[O-])c1 ZINC000903196321 619734630 /nfs/dbraw/zinc/73/46/30/619734630.db2.gz MIXTZBCWUGQSNE-TZMCWYRMSA-N 1 1 321.421 3.127 20 5 DGBDMO COc1cc([C@@H](C)NC[C@H]2CC[N@H+]2C(C)(C)C)cc([N+](=O)[O-])c1 ZINC000903196321 619734633 /nfs/dbraw/zinc/73/46/33/619734633.db2.gz MIXTZBCWUGQSNE-TZMCWYRMSA-N 1 1 321.421 3.127 20 5 DGBDMO CCc1ncc(C[NH2+][C@H](C)c2cc(OC)cc([N+](=O)[O-])c2)o1 ZINC000903188077 619736859 /nfs/dbraw/zinc/73/68/59/619736859.db2.gz XSDMRUQAVWNLAP-SNVBAGLBSA-N 1 1 305.334 3.005 20 5 DGBDMO CSc1ccc([N+](=O)[O-])cc1[C@H](C)N[C@H]1CC[N@H+](C)[C@H]1C ZINC000903301629 619753937 /nfs/dbraw/zinc/75/39/37/619753937.db2.gz SCXUVNVYJVKBCX-MJVIPROJSA-N 1 1 309.435 3.060 20 5 DGBDMO CSc1ccc([N+](=O)[O-])cc1[C@H](C)N[C@H]1CC[N@@H+](C)[C@H]1C ZINC000903301629 619753938 /nfs/dbraw/zinc/75/39/38/619753938.db2.gz SCXUVNVYJVKBCX-MJVIPROJSA-N 1 1 309.435 3.060 20 5 DGBDMO CC(C)N(Cc1ccc([N+](=O)[O-])cc1)C[C@H]1CCCC[NH2+]C1 ZINC000903727503 619805054 /nfs/dbraw/zinc/80/50/54/619805054.db2.gz TZWCINJQDUUAJX-INIZCTEOSA-N 1 1 305.422 3.195 20 5 DGBDMO Cc1c(C[NH2+]Cc2c(Cl)n[nH]c2C2CC2)cccc1[N+](=O)[O-] ZINC000922048108 620983397 /nfs/dbraw/zinc/98/33/97/620983397.db2.gz BFXMXSMGEGGYRZ-UHFFFAOYSA-N 1 1 320.780 3.447 20 5 DGBDMO COc1cc([N+](=O)[O-])ccc1[C@@H](C)[NH2+][C@@H](C)c1ccns1 ZINC000858577761 621206019 /nfs/dbraw/zinc/20/60/19/621206019.db2.gz VKEVBPLGJGRXSW-ZJUUUORDSA-N 1 1 307.375 3.472 20 5 DGBDMO CC(=O)c1ccc([N+](=O)[O-])cc1NC[C@@H]1CC[N@H+]1C1CCCC1 ZINC000858781596 621220889 /nfs/dbraw/zinc/22/08/89/621220889.db2.gz UCLHMJPMWFPBHN-HNNXBMFYSA-N 1 1 317.389 3.226 20 5 DGBDMO O=[N+]([O-])c1ccccc1C[N@@H+]1CCC[C@@](O)(c2ccccc2)C1 ZINC000859583072 621294673 /nfs/dbraw/zinc/29/46/73/621294673.db2.gz PZBFQRYBHLRWDL-SFHVURJKSA-N 1 1 312.369 3.078 20 5 DGBDMO C[C@H]1C[NH+](Cn2ncc3cc([N+](=O)[O-])ccc32)C[C@H](C)C1(F)F ZINC000863275186 621658584 /nfs/dbraw/zinc/65/85/84/621658584.db2.gz QNWGYTVDSMLYFX-QWRGUYRKSA-N 1 1 324.331 3.125 20 5 DGBDMO C[C@@H]1C[NH+](Cn2ncc3cc([N+](=O)[O-])ccc32)C[C@@H](C)C1(F)F ZINC000863275184 621658927 /nfs/dbraw/zinc/65/89/27/621658927.db2.gz QNWGYTVDSMLYFX-GHMZBOCLSA-N 1 1 324.331 3.125 20 5 DGBDMO CC[C@H]1CC[N@@H+](Cn2cc(-c3ccc([N+](=O)[O-])cc3)cn2)C1 ZINC000119457127 621673762 /nfs/dbraw/zinc/67/37/62/621673762.db2.gz VHSLCVKQGDWEEM-ZDUSSCGKSA-N 1 1 300.362 3.148 20 5 DGBDMO O=[N+]([O-])c1ccc(F)cc1C[N@@H+]1C[C@H](O)C[C@H]1c1ccccc1 ZINC000839632264 621702487 /nfs/dbraw/zinc/70/24/87/621702487.db2.gz FMUBWGJYLGHFQX-WBVHZDCISA-N 1 1 316.332 3.042 20 5 DGBDMO O=[N+]([O-])c1ccc(F)cc1C[N@H+]1C[C@H](O)C[C@H]1c1ccccc1 ZINC000839632264 621702489 /nfs/dbraw/zinc/70/24/89/621702489.db2.gz FMUBWGJYLGHFQX-WBVHZDCISA-N 1 1 316.332 3.042 20 5 DGBDMO CC[C@@H]1C[C@@H](C)C[N@H+]1Cn1nc(C)c2ccc([N+](=O)[O-])cc21 ZINC000761290344 621999468 /nfs/dbraw/zinc/99/94/68/621999468.db2.gz IDOOPVHMBGARBI-DGCLKSJQSA-N 1 1 302.378 3.331 20 5 DGBDMO Cc1nn(C[N@H+]2CCC[C@@H]2C2CC2)c2cc([N+](=O)[O-])ccc12 ZINC000761292123 621999527 /nfs/dbraw/zinc/99/95/27/621999527.db2.gz YBVXIHAZJJLSLO-OAHLLOKOSA-N 1 1 300.362 3.085 20 5 DGBDMO C[C@@H](c1ccccc1[N+](=O)[O-])[N@@H+]1CCOc2cc(N)ccc2C1 ZINC000866690471 622157079 /nfs/dbraw/zinc/15/70/79/622157079.db2.gz ZVPQDSBVFAMWJC-LBPRGKRZSA-N 1 1 313.357 3.133 20 5 DGBDMO C[C@@H](c1ccccc1[N+](=O)[O-])[N@H+]1CCOc2cc(N)ccc2C1 ZINC000866690471 622157080 /nfs/dbraw/zinc/15/70/80/622157080.db2.gz ZVPQDSBVFAMWJC-LBPRGKRZSA-N 1 1 313.357 3.133 20 5 DGBDMO Cc1nn(C[N@@H+]2CCC[C@@H](C)CC2)c2ccc([N+](=O)[O-])cc12 ZINC000764945136 622235226 /nfs/dbraw/zinc/23/52/26/622235226.db2.gz MZOKAUOUYRHCHK-GFCCVEGCSA-N 1 1 302.378 3.332 20 5 DGBDMO O=[N+]([O-])c1ccc(Cl)c(CNC[C@@H]2CCCC[N@H+]2C2CC2)c1 ZINC000766224086 622313409 /nfs/dbraw/zinc/31/34/09/622313409.db2.gz LKTHBROWPJAVQA-HNNXBMFYSA-N 1 1 323.824 3.355 20 5 DGBDMO O=[N+]([O-])c1ccc(Cl)c(C[NH2+]C[C@@H]2CCCCN2C2CC2)c1 ZINC000766224086 622313413 /nfs/dbraw/zinc/31/34/13/622313413.db2.gz LKTHBROWPJAVQA-HNNXBMFYSA-N 1 1 323.824 3.355 20 5 DGBDMO Cc1[nH+]ccn1CCCOC(=O)c1ccc([N+](=O)[O-])c(Cl)c1 ZINC000767733096 622419591 /nfs/dbraw/zinc/41/95/91/622419591.db2.gz VESZHPCDXOQLSX-UHFFFAOYSA-N 1 1 323.736 3.000 20 5 DGBDMO CCOc1ccc([C@@H](C)NCC[N@@H+]2CCC[C@@H]2C)cc1[N+](=O)[O-] ZINC000768105049 622438846 /nfs/dbraw/zinc/43/88/46/622438846.db2.gz YYOXUCNUDLWTFN-UONOGXRCSA-N 1 1 321.421 3.128 20 5 DGBDMO CCOc1ccc([C@@H](C)NCC[N@H+]2CCC[C@@H]2C)cc1[N+](=O)[O-] ZINC000768105049 622438847 /nfs/dbraw/zinc/43/88/47/622438847.db2.gz YYOXUCNUDLWTFN-UONOGXRCSA-N 1 1 321.421 3.128 20 5 DGBDMO O=[N+]([O-])c1ccccc1/C=C\C[N@H+]1CCOC2(CCCC2)C1 ZINC000769469235 622530239 /nfs/dbraw/zinc/53/02/39/622530239.db2.gz UQFNUJFOYPDLRS-ALCCZGGFSA-N 1 1 302.374 3.253 20 5 DGBDMO Cc1nn(C[N@H+]2CCCC3(CC3)C2)c2ccc([N+](=O)[O-])cc12 ZINC000769798558 622561223 /nfs/dbraw/zinc/56/12/23/622561223.db2.gz CHDCEOUQIVAXSC-UHFFFAOYSA-N 1 1 300.362 3.086 20 5 DGBDMO CC(=O)c1c([N+](=O)[O-])cccc1N1CCC[N@H+](C(C)(C)C)CC1 ZINC000881864414 625579513 /nfs/dbraw/zinc/57/95/13/625579513.db2.gz QXXUBSUFJHKMGP-UHFFFAOYSA-N 1 1 319.405 3.108 20 5 DGBDMO CSc1ccc([N+](=O)[O-])cc1[C@@H](C)[NH2+]CC(C)(C)N(C)C ZINC000872016344 622752778 /nfs/dbraw/zinc/75/27/78/622752778.db2.gz IVQSWRBTXCBCAH-LLVKDONJSA-N 1 1 311.451 3.308 20 5 DGBDMO Cc1ccc([C@H](O)C[NH2+][C@@H](C)c2c(F)cccc2[N+](=O)[O-])o1 ZINC000872039950 622768417 /nfs/dbraw/zinc/76/84/17/622768417.db2.gz WVBFYTURIPVRML-GXFFZTMASA-N 1 1 308.309 3.020 20 5 DGBDMO C[C@H](N[C@H]1CC[N@H+](C(C)(C)C)C1)c1c(F)cccc1[N+](=O)[O-] ZINC000872086433 622797024 /nfs/dbraw/zinc/79/70/24/622797024.db2.gz WONNJYPHRJGPPC-RYUDHWBXSA-N 1 1 309.385 3.257 20 5 DGBDMO O=[N+]([O-])c1ccc([C@@H](O)C[NH2+][C@@H](CF)c2ccc(F)cc2)cc1 ZINC000872235853 622863415 /nfs/dbraw/zinc/86/34/15/622863415.db2.gz ANCVLLOFKDXOLR-HOTGVXAUSA-N 1 1 322.311 3.068 20 5 DGBDMO Cc1c(CNC[C@@H]2CCC[N@H+](C(C)C)C2)cccc1[N+](=O)[O-] ZINC000873044621 623024811 /nfs/dbraw/zinc/02/48/11/623024811.db2.gz SQZOQVKSOLKFBZ-HNNXBMFYSA-N 1 1 305.422 3.113 20 5 DGBDMO Cc1[nH+]ccn1-c1ncccc1CNc1sccc1[N+](=O)[O-] ZINC000775683710 623313552 /nfs/dbraw/zinc/31/35/52/623313552.db2.gz ZPEIESPSVSZEHF-UHFFFAOYSA-N 1 1 315.358 3.158 20 5 DGBDMO O=[N+]([O-])c1ccc([C@@H](O)C[N@H+]2CCC[C@@H]2c2ccccc2)cc1 ZINC000776277244 623405737 /nfs/dbraw/zinc/40/57/37/623405737.db2.gz QDLDEFRSRLHFDZ-MSOLQXFVSA-N 1 1 312.369 3.465 20 5 DGBDMO CC[N@@H+](CCc1ccccc1)C[C@@H](O)c1ccc([N+](=O)[O-])cc1 ZINC000776276624 623406237 /nfs/dbraw/zinc/40/62/37/623406237.db2.gz LEKAODWKGHCATC-GOSISDBHSA-N 1 1 314.385 3.193 20 5 DGBDMO C[C@H](c1ccco1)[N@@H+](C[C@H](O)c1ccc([N+](=O)[O-])cc1)C1CC1 ZINC000776590086 623444405 /nfs/dbraw/zinc/44/44/05/623444405.db2.gz BYXTZSXXANYEPB-WBMJQRKESA-N 1 1 316.357 3.447 20 5 DGBDMO C[C@@H](c1ccco1)[N@@H+](C[C@H](O)c1ccc([N+](=O)[O-])cc1)C1CC1 ZINC000776590084 623444420 /nfs/dbraw/zinc/44/44/20/623444420.db2.gz BYXTZSXXANYEPB-LRDDRELGSA-N 1 1 316.357 3.447 20 5 DGBDMO CC[C@@H](c1ccncc1)[N@@H+](C)C[C@H](O)c1ccc([N+](=O)[O-])cc1 ZINC000776602132 623445862 /nfs/dbraw/zinc/44/58/62/623445862.db2.gz SLIUXZWGYMLVDN-IRXDYDNUSA-N 1 1 315.373 3.106 20 5 DGBDMO C[N@@H+](CCC1CC1)Cn1cc(-c2cccc([N+](=O)[O-])c2)cn1 ZINC000777956896 623590864 /nfs/dbraw/zinc/59/08/64/623590864.db2.gz BNRQEIAZZWSCQQ-UHFFFAOYSA-N 1 1 300.362 3.148 20 5 DGBDMO Cc1ccc([N+](=O)[O-])c(C)c1CN(C)[C@H]1CC[N@@H+](C)[C@@H](C)C1 ZINC000876765949 623701469 /nfs/dbraw/zinc/70/14/69/623701469.db2.gz XMRDOEWFIAXMQF-ZFWWWQNUSA-N 1 1 305.422 3.126 20 5 DGBDMO Cc1ccc([N+](=O)[O-])c(C)c1C[N@@H+](C)[C@H]1CCN(C)[C@@H](C)C1 ZINC000876765949 623701471 /nfs/dbraw/zinc/70/14/71/623701471.db2.gz XMRDOEWFIAXMQF-ZFWWWQNUSA-N 1 1 305.422 3.126 20 5 DGBDMO Cc1ccc([N+](=O)[O-])c(C)c1C[N@H+](C)[C@H]1CCN(C)[C@@H](C)C1 ZINC000876765949 623701475 /nfs/dbraw/zinc/70/14/75/623701475.db2.gz XMRDOEWFIAXMQF-ZFWWWQNUSA-N 1 1 305.422 3.126 20 5 DGBDMO Cc1ccc([N+](=O)[O-])c(C)c1C[N@H+]1CC[C@H]([C@H]2CCOC2)C1 ZINC000876779649 623703362 /nfs/dbraw/zinc/70/33/62/623703362.db2.gz AWPIIHPIFDLBLG-GJZGRUSLSA-N 1 1 304.390 3.070 20 5 DGBDMO Cc1ccc([N+](=O)[O-])c(C)c1C[N@H+]1CC[C@H]([C@@H]2CCOC2)C1 ZINC000876779651 623703652 /nfs/dbraw/zinc/70/36/52/623703652.db2.gz AWPIIHPIFDLBLG-LSDHHAIUSA-N 1 1 304.390 3.070 20 5 DGBDMO Cc1ccc([N+](=O)[O-])c(C)c1C[N@H+]1CCC2(C1)CCOCC2 ZINC000876793242 623708320 /nfs/dbraw/zinc/70/83/20/623708320.db2.gz BNGDVEWCFPTQBZ-UHFFFAOYSA-N 1 1 304.390 3.214 20 5 DGBDMO Cc1ccc([N+](=O)[O-])c(C)c1C[N@H+]1CCC[C@H]2COCC[C@H]21 ZINC000876804738 623710546 /nfs/dbraw/zinc/71/05/46/623710546.db2.gz TYTSLYIVYVVDAY-WMLDXEAASA-N 1 1 304.390 3.213 20 5 DGBDMO CCC[C@@]1(CO)CC[N@@H+](Cc2c(C)ccc([N+](=O)[O-])c2C)C1 ZINC000877537990 623931752 /nfs/dbraw/zinc/93/17/52/623931752.db2.gz RXZZBKUKUJOZDI-QGZVFWFLSA-N 1 1 306.406 3.196 20 5 DGBDMO CCc1nocc1C[N@H+](C)Cc1c(C)ccc([N+](=O)[O-])c1C ZINC000877552952 623939750 /nfs/dbraw/zinc/93/97/50/623939750.db2.gz UPEPGYKCPNUDGT-UHFFFAOYSA-N 1 1 303.362 3.394 20 5 DGBDMO CCc1nocc1C[N@@H+](C)Cc1c(C)ccc([N+](=O)[O-])c1C ZINC000877552952 623939752 /nfs/dbraw/zinc/93/97/52/623939752.db2.gz UPEPGYKCPNUDGT-UHFFFAOYSA-N 1 1 303.362 3.394 20 5 DGBDMO C[N@H+]1CCN(C/C=C\c2ccccc2[N+](=O)[O-])CCC1(C)C ZINC000877701123 623996412 /nfs/dbraw/zinc/99/64/12/623996412.db2.gz KVGBGWJPCBRRQJ-VURMDHGXSA-N 1 1 303.406 3.024 20 5 DGBDMO O=[N+]([O-])c1ccc(C[N@H+]2CC[C@H]3CSC[C@@H]3C2)c(Cl)c1 ZINC000877737055 624011006 /nfs/dbraw/zinc/01/10/06/624011006.db2.gz GPZXPSXPGSWASN-RYUDHWBXSA-N 1 1 312.822 3.433 20 5 DGBDMO CC(C)(O)[C@@H]1CCC[N@@H+](C/C=C\c2ccccc2[N+](=O)[O-])C1 ZINC000877796272 624037097 /nfs/dbraw/zinc/03/70/97/624037097.db2.gz BRVAQCTWFXKREX-GTBONMDNSA-N 1 1 304.390 3.091 20 5 DGBDMO COC(=O)CC[C@@H]1CCC[N@@H+](Cc2cccc([N+](=O)[O-])c2C)C1 ZINC000877816654 624048987 /nfs/dbraw/zinc/04/89/87/624048987.db2.gz BQWVOIDCAIBSRI-AWEZNQCLSA-N 1 1 320.389 3.068 20 5 DGBDMO C[C@H]1C[N@@H+](Cc2nnc(-c3ccccc3[N+](=O)[O-])o2)C(C)(C)C1 ZINC000878158537 624193639 /nfs/dbraw/zinc/19/36/39/624193639.db2.gz IXDGXWJLBQCCCT-LLVKDONJSA-N 1 1 316.361 3.265 20 5 DGBDMO O=[N+]([O-])c1ccc(Cl)cc1C[NH2+][C@@H](CO)c1cccc(F)c1 ZINC000782060833 624196417 /nfs/dbraw/zinc/19/64/17/624196417.db2.gz GUIDRTZKABPAJF-AWEZNQCLSA-N 1 1 324.739 3.211 20 5 DGBDMO O=[N+]([O-])c1ccccc1-c1nnc(C[N@H+]2CCC3(CCC3)C2)o1 ZINC000878187487 624207158 /nfs/dbraw/zinc/20/71/58/624207158.db2.gz AVKGXSKGFDQCKC-UHFFFAOYSA-N 1 1 314.345 3.021 20 5 DGBDMO C[N@H+](CCc1ccccc1[N+](=O)[O-])Cc1nc2c(o1)CCCC2 ZINC000878598710 624318391 /nfs/dbraw/zinc/31/83/91/624318391.db2.gz NFACEFQWBZXACX-UHFFFAOYSA-N 1 1 315.373 3.136 20 5 DGBDMO C[N@@H+](CCc1ccccc1[N+](=O)[O-])Cc1nc2c(o1)CCCC2 ZINC000878598710 624318393 /nfs/dbraw/zinc/31/83/93/624318393.db2.gz NFACEFQWBZXACX-UHFFFAOYSA-N 1 1 315.373 3.136 20 5 DGBDMO CC(C)OCCC[N@@H+](C)Cc1ccc([N+](=O)[O-])c(Cl)c1 ZINC000783574180 624368283 /nfs/dbraw/zinc/36/82/83/624368283.db2.gz UDOGJQXOKJAVLN-UHFFFAOYSA-N 1 1 300.786 3.495 20 5 DGBDMO COC(=O)[C@@H]1C[C@@H](C)[N@H+](Cc2ccc(C)c([N+](=O)[O-])c2)[C@@H](C)C1 ZINC000879067697 624419184 /nfs/dbraw/zinc/41/91/84/624419184.db2.gz XKUXMHLOIZZUQP-AGGWBTHJSA-N 1 1 320.389 3.065 20 5 DGBDMO O=[N+]([O-])c1cc(C[N@@H+]2CC[C@H](O)[C@H]3CCCC[C@H]32)ccc1Cl ZINC000879418383 624540690 /nfs/dbraw/zinc/54/06/90/624540690.db2.gz HKSALSNBPQSKCT-BJJXKVORSA-N 1 1 324.808 3.374 20 5 DGBDMO COc1ccc([N+](=O)[O-])cc1C[N@@H+]1CC[C@](C)(C(F)(F)F)C1 ZINC000879999084 624746117 /nfs/dbraw/zinc/74/61/17/624746117.db2.gz HLGKAQONQZSNDJ-ZDUSSCGKSA-N 1 1 318.295 3.378 20 5 DGBDMO COc1ccc([N+](=O)[O-])cc1C[N@H+]1CC[C@](C)(C(F)(F)F)C1 ZINC000879999084 624746122 /nfs/dbraw/zinc/74/61/22/624746122.db2.gz HLGKAQONQZSNDJ-ZDUSSCGKSA-N 1 1 318.295 3.378 20 5 DGBDMO C[C@H](O)[C@@H]1C[C@H](C)CC[N@H+]1Cc1ccc([N+](=O)[O-])c(Cl)c1 ZINC000785988352 624775089 /nfs/dbraw/zinc/77/50/89/624775089.db2.gz LTHJTNPCYTYNCI-ZETOZRRWSA-N 1 1 312.797 3.230 20 5 DGBDMO O=[N+]([O-])c1ccccc1C[N@@H+]1C[C@@H]2C[C@H]1CN2c1ccccc1 ZINC000880188680 624827829 /nfs/dbraw/zinc/82/78/29/624827829.db2.gz OJDJTYITCZUZEI-IRXDYDNUSA-N 1 1 309.369 3.058 20 5 DGBDMO O=[N+]([O-])c1ccccc1C[N@H+]1C[C@@H]2C[C@H]1CN2c1ccccc1 ZINC000880188680 624827831 /nfs/dbraw/zinc/82/78/31/624827831.db2.gz OJDJTYITCZUZEI-IRXDYDNUSA-N 1 1 309.369 3.058 20 5 DGBDMO CC[N@H+](Cc1cc(F)ccc1[N+](=O)[O-])[C@H](CO)c1ccccc1 ZINC000880460000 624961176 /nfs/dbraw/zinc/96/11/76/624961176.db2.gz NLBFBPFNDYPHIF-QGZVFWFLSA-N 1 1 318.348 3.289 20 5 DGBDMO CC[N@@H+](Cc1cc(F)ccc1[N+](=O)[O-])[C@H](CO)c1ccccc1 ZINC000880460000 624961179 /nfs/dbraw/zinc/96/11/79/624961179.db2.gz NLBFBPFNDYPHIF-QGZVFWFLSA-N 1 1 318.348 3.289 20 5 DGBDMO CC[N@@H+](Cc1ccccc1[N+](=O)[O-])[C@H](CO)c1ccccc1 ZINC000880459451 624961308 /nfs/dbraw/zinc/96/13/08/624961308.db2.gz VBGGFJYCSFZKET-QGZVFWFLSA-N 1 1 300.358 3.150 20 5 DGBDMO C[C@H](NCC[NH+]1[C@@H](C)CCC[C@@H]1C)c1ccc(N)c([N+](=O)[O-])c1 ZINC000788596667 625223624 /nfs/dbraw/zinc/22/36/24/625223624.db2.gz ZSAMHVVALKPASF-IHRRRGAJSA-N 1 1 320.437 3.091 20 5 DGBDMO C[C@H](O)C[N@@H+](Cc1ccccc1)Cc1ccc([N+](=O)[O-])c(F)c1 ZINC000801517661 626406683 /nfs/dbraw/zinc/40/66/83/626406683.db2.gz KBZJTLIQPRVHLU-ZDUSSCGKSA-N 1 1 318.348 3.117 20 5 DGBDMO O=[N+]([O-])c1ccc(C[N@H+]2CCC[C@@]3(CCCOC3)C2)cc1F ZINC000801519217 626406991 /nfs/dbraw/zinc/40/69/91/626406991.db2.gz IPJSJCSGBJSMPY-MRXNPFEDSA-N 1 1 308.353 3.127 20 5 DGBDMO C[C@@H]1CCCC[N@H+]1CCCNc1c([N+](=O)[O-])cccc1[N+](=O)[O-] ZINC000804330505 626670018 /nfs/dbraw/zinc/67/00/18/626670018.db2.gz WUHNMGBIZUKGOH-GFCCVEGCSA-N 1 1 322.365 3.179 20 5 DGBDMO C[C@H](CNc1c([N+](=O)[O-])cccc1[N+](=O)[O-])[N@H+]1CCCC[C@H]1C ZINC000804349635 626672370 /nfs/dbraw/zinc/67/23/70/626672370.db2.gz PAEVRPLYROTXMD-VXGBXAGGSA-N 1 1 322.365 3.178 20 5 DGBDMO C[C@H](C[N@H+]1CCC[C@H](C)C1)Nc1c([N+](=O)[O-])cccc1[N+](=O)[O-] ZINC000804372048 626673958 /nfs/dbraw/zinc/67/39/58/626673958.db2.gz HYVPBHPMUMNDOQ-NWDGAFQWSA-N 1 1 322.365 3.035 20 5 DGBDMO C[N@H+]1CCC[C@H]2CN(c3cc(Cl)ccc3[N+](=O)[O-])CC[C@H]21 ZINC000804557098 626692859 /nfs/dbraw/zinc/69/28/59/626692859.db2.gz LBGJPOCGGPBUFC-WCQYABFASA-N 1 1 309.797 3.169 20 5 DGBDMO CC(=O)c1ccc([N+](=O)[O-])cc1NC[C@@H](C)[N@H+]1CCC[C@H](C)C1 ZINC000807925232 626778293 /nfs/dbraw/zinc/77/82/93/626778293.db2.gz BREYCPWIGZAENZ-QWHCGFSZSA-N 1 1 319.405 3.330 20 5 DGBDMO O=[N+]([O-])c1ccc2c(cnn2C[N@H+]2CCC[C@@H](C3CC3)C2)c1 ZINC000808230811 626806846 /nfs/dbraw/zinc/80/68/46/626806846.db2.gz QQIJSOGOBDMYLK-CYBMUJFWSA-N 1 1 300.362 3.024 20 5 DGBDMO C[N@@H+](Cn1nccc1[N+](=O)[O-])[C@@H]1CCCC[C@@H]1c1ccccc1 ZINC000840182104 626923076 /nfs/dbraw/zinc/92/30/76/626923076.db2.gz NQXRFJLJDZTHFG-HZPDHXFCSA-N 1 1 314.389 3.407 20 5 DGBDMO CCC[N@H+]1CCC[C@H]1CNCc1ccc([N+](=O)[O-])c(Cl)c1 ZINC000809714980 626940396 /nfs/dbraw/zinc/94/03/96/626940396.db2.gz AONFLEINAOPQSK-ZDUSSCGKSA-N 1 1 311.813 3.212 20 5 DGBDMO CCCN1CCC[C@H]1C[NH2+]Cc1ccc([N+](=O)[O-])c(Cl)c1 ZINC000809714980 626940398 /nfs/dbraw/zinc/94/03/98/626940398.db2.gz AONFLEINAOPQSK-ZDUSSCGKSA-N 1 1 311.813 3.212 20 5 DGBDMO CC[N@@H+](Cn1nc(C)c2cc([N+](=O)[O-])cnc21)C1CC(C)(C)C1 ZINC000840183852 626940656 /nfs/dbraw/zinc/94/06/56/626940656.db2.gz KAAPTNSCBOLXBZ-UHFFFAOYSA-N 1 1 317.393 3.116 20 5 DGBDMO CC(C)C[C@H](CO)[N@@H+](C)Cc1ccc([N+](=O)[O-])c(Cl)c1 ZINC000809768002 626950537 /nfs/dbraw/zinc/95/05/37/626950537.db2.gz ZVVTVEYJKBAFEP-GFCCVEGCSA-N 1 1 300.786 3.087 20 5 DGBDMO O=[N+]([O-])c1ccc2[nH+]ccc(N3CC[C@@H]([C@@H]4CCCO4)C3)c2c1 ZINC000884752080 626951384 /nfs/dbraw/zinc/95/13/84/626951384.db2.gz RGROEUFDOQPHTR-PXAZEXFGSA-N 1 1 313.357 3.148 20 5 DGBDMO Cc1cccnc1[C@@H]([NH2+]Cc1cccnc1[N+](=O)[O-])C(C)C ZINC000886067938 627097963 /nfs/dbraw/zinc/09/79/63/627097963.db2.gz QSHXMABQIMUZKM-AWEZNQCLSA-N 1 1 300.362 3.180 20 5 DGBDMO O=[N+]([O-])c1ncccc1C[N@@H+]1CCC[C@H](Nc2ccccc2)C1 ZINC000886075005 627099273 /nfs/dbraw/zinc/09/92/73/627099273.db2.gz AWFYFFJQPSCSSA-INIZCTEOSA-N 1 1 312.373 3.066 20 5 DGBDMO O=[N+]([O-])c1ncccc1C[N@H+]1CCC[C@H](Nc2ccccc2)C1 ZINC000886075005 627099276 /nfs/dbraw/zinc/09/92/76/627099276.db2.gz AWFYFFJQPSCSSA-INIZCTEOSA-N 1 1 312.373 3.066 20 5 DGBDMO CCC1(CC)[C@H](OC)C[C@@H]1[N@@H+](C)Cc1cccnc1[N+](=O)[O-] ZINC000886075158 627099352 /nfs/dbraw/zinc/09/93/52/627099352.db2.gz CXOHFAAZHPXAQU-UONOGXRCSA-N 1 1 307.394 3.015 20 5 DGBDMO CCC1(CC)[C@H](OC)C[C@H]1[N@@H+](C)Cc1cccnc1[N+](=O)[O-] ZINC000886075159 627099438 /nfs/dbraw/zinc/09/94/38/627099438.db2.gz CXOHFAAZHPXAQU-ZIAGYGMSSA-N 1 1 307.394 3.015 20 5 DGBDMO CC[N@H+](Cc1ccccc1C)C[C@@H](O)c1cccc([N+](=O)[O-])c1 ZINC000136924406 627104766 /nfs/dbraw/zinc/10/47/66/627104766.db2.gz IBYMNZNEEMWSIU-GOSISDBHSA-N 1 1 314.385 3.459 20 5 DGBDMO CC(C)C[C@@H]1CCC[N@@H+](C[C@H](O)c2cccc([N+](=O)[O-])c2)C1 ZINC000137072716 627105367 /nfs/dbraw/zinc/10/53/67/627105367.db2.gz RIBKHASDUDZQGX-YOEHRIQHSA-N 1 1 306.406 3.386 20 5 DGBDMO C[N@@H+](CCc1ccccc1[N+](=O)[O-])C[C@@H]1CC[C@@H](C2CC2)O1 ZINC000886201419 627120804 /nfs/dbraw/zinc/12/08/04/627120804.db2.gz DLJWKPKHRZQDSB-RDJZCZTQSA-N 1 1 304.390 3.027 20 5 DGBDMO Cc1ncc([N+](=O)[O-])n1CC[N@@H+]1CC[C@H](C)[C@@H]1c1ccccc1 ZINC000886540164 627159448 /nfs/dbraw/zinc/15/94/48/627159448.db2.gz ABUIPLUSLQMOEF-SUMWQHHRSA-N 1 1 314.389 3.183 20 5 DGBDMO O=[N+]([O-])c1ccc(Cl)c(C[NH2+]Cc2cccc(CO)c2)c1 ZINC000222112200 627234219 /nfs/dbraw/zinc/23/42/19/627234219.db2.gz UJSQEPAKEROVLQ-UHFFFAOYSA-N 1 1 306.749 3.030 20 5 DGBDMO Cc1[nH+]ccn1-c1ncccc1CNc1ccc([N+](=O)[O-])cc1C ZINC000811825180 627326432 /nfs/dbraw/zinc/32/64/32/627326432.db2.gz DTPDSWARMRSHRP-UHFFFAOYSA-N 1 1 323.356 3.404 20 5 DGBDMO CCC[N@@H+](CC)C[C@H](C)Nc1ccc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000811869842 627331766 /nfs/dbraw/zinc/33/17/66/627331766.db2.gz ZMYZJAIGDHAUEQ-NSHDSACASA-N 1 1 310.354 3.035 20 5 DGBDMO CCC[N@@H+](CC)C[C@@H](C)Nc1ccc([N+](=O)[O-])cc1C(C)=O ZINC000811866959 627331841 /nfs/dbraw/zinc/33/18/41/627331841.db2.gz JGWUQZWFBDFQEJ-GFCCVEGCSA-N 1 1 307.394 3.330 20 5 DGBDMO Cc1nn(C[N@H+]2CCC[C@@H](c3ccccc3)C2)c(C)c1[N+](=O)[O-] ZINC000814224538 627552683 /nfs/dbraw/zinc/55/26/83/627552683.db2.gz IZOJGBQDHPNXCQ-MRXNPFEDSA-N 1 1 314.389 3.245 20 5 DGBDMO Cc1cc(-c2noc([C@H]3CCC[N@@H+]3C(C)C)n2)cc([N+](=O)[O-])c1 ZINC000924092771 627601102 /nfs/dbraw/zinc/60/11/02/627601102.db2.gz IAMCYCCAHMURRB-CQSZACIVSA-N 1 1 316.361 3.499 20 5 DGBDMO CC(C)[C@@H]1C[N@H+](Cc2cc(Cl)ccc2[N+](=O)[O-])CCCO1 ZINC000815312551 627656707 /nfs/dbraw/zinc/65/67/07/627656707.db2.gz AHOTXMCGIIQNGD-HNNXBMFYSA-N 1 1 312.797 3.495 20 5 DGBDMO CC(C)[C@@H]1C[N@@H+](Cc2cc(Cl)ccc2[N+](=O)[O-])CCCO1 ZINC000815312551 627656709 /nfs/dbraw/zinc/65/67/09/627656709.db2.gz AHOTXMCGIIQNGD-HNNXBMFYSA-N 1 1 312.797 3.495 20 5 DGBDMO C[C@H]([NH2+]CC1(N(C)C)CCCCC1)c1ccc(N)c([N+](=O)[O-])c1 ZINC000815553547 627684328 /nfs/dbraw/zinc/68/43/28/627684328.db2.gz CNQPQTJJYFZLLU-ZDUSSCGKSA-N 1 1 320.437 3.092 20 5 DGBDMO Cc1c(CN[C@H]2CC[NH2+]C[C@H]2C2CCCC2)cccc1[N+](=O)[O-] ZINC000925659012 627771591 /nfs/dbraw/zinc/77/15/91/627771591.db2.gz RUVCIUBAVPQZES-IRXDYDNUSA-N 1 1 317.433 3.161 20 5 DGBDMO Cc1ccc(CN[C@H]2CC[NH2+]C[C@H]2C2CCCC2)cc1[N+](=O)[O-] ZINC000925733721 627784169 /nfs/dbraw/zinc/78/41/69/627784169.db2.gz LULIQTVBUBFVKE-IRXDYDNUSA-N 1 1 317.433 3.161 20 5 DGBDMO O=[N+]([O-])c1ccc([C@@H](O)C[N@H+]2CC[C@H](C3CCCC3)C2)cc1 ZINC000817283416 627877663 /nfs/dbraw/zinc/87/76/63/627877663.db2.gz VMMKWECNUPLAIK-RDJZCZTQSA-N 1 1 304.390 3.140 20 5 DGBDMO O=[N+]([O-])c1cc(C[N@H+]2CC[C@H](O)CC23CCC3)ccc1Cl ZINC000817292752 627879212 /nfs/dbraw/zinc/87/92/12/627879212.db2.gz WCUMFJFQHJFZNC-LBPRGKRZSA-N 1 1 310.781 3.128 20 5 DGBDMO O=[N+]([O-])c1cc(C[N@@H+]2CC[C@H](O)CC23CCC3)ccc1Cl ZINC000817292752 627879217 /nfs/dbraw/zinc/87/92/17/627879217.db2.gz WCUMFJFQHJFZNC-LBPRGKRZSA-N 1 1 310.781 3.128 20 5 DGBDMO O=[N+]([O-])c1ccc(Cl)cc1C[N@@H+]1CCC[C@H](CCO)CC1 ZINC000817299022 627879715 /nfs/dbraw/zinc/87/97/15/627879715.db2.gz SJEOBOTTXYLPTH-LBPRGKRZSA-N 1 1 312.797 3.233 20 5 DGBDMO C[C@H]([NH2+][C@H]1C[C@@]1(F)c1ccccc1)c1ccc(N)c([N+](=O)[O-])c1 ZINC000818357316 628018376 /nfs/dbraw/zinc/01/83/76/628018376.db2.gz ZCCUNYKDQQZMIO-MZPVMMEZSA-N 1 1 315.348 3.465 20 5 DGBDMO CC1(C)C[C@@H](c2ccccc2)[N@H+](Cn2cc([N+](=O)[O-])cn2)C1 ZINC000819900647 628197276 /nfs/dbraw/zinc/19/72/76/628197276.db2.gz HRSZLYZOANKCKQ-HNNXBMFYSA-N 1 1 300.362 3.222 20 5 DGBDMO CC1(C)C[C@@H](c2ccccc2)[N@@H+](Cn2cc([N+](=O)[O-])cn2)C1 ZINC000819900647 628197280 /nfs/dbraw/zinc/19/72/80/628197280.db2.gz HRSZLYZOANKCKQ-HNNXBMFYSA-N 1 1 300.362 3.222 20 5 DGBDMO C[N@@H+](Cc1ccc([N+](=O)[O-])cc1F)C[C@](C)(O)c1ccccc1 ZINC000822517013 628459864 /nfs/dbraw/zinc/45/98/64/628459864.db2.gz SSNKOBQJZQDNOY-KRWDZBQOSA-N 1 1 318.348 3.073 20 5 DGBDMO C[N@H+](Cc1c(F)cccc1[N+](=O)[O-])C[C@](C)(O)c1ccccc1 ZINC000823592132 628577613 /nfs/dbraw/zinc/57/76/13/628577613.db2.gz QFDHIQPWFFTGJV-KRWDZBQOSA-N 1 1 318.348 3.073 20 5 DGBDMO C[N@@H+](Cc1c(F)cccc1[N+](=O)[O-])C[C@](C)(O)c1ccccc1 ZINC000823592132 628577617 /nfs/dbraw/zinc/57/76/17/628577617.db2.gz QFDHIQPWFFTGJV-KRWDZBQOSA-N 1 1 318.348 3.073 20 5 DGBDMO O=[N+]([O-])c1ccc(C[N@H+]2CCC[C@@]3(CCOC3)C2)cc1Cl ZINC000825133937 628731255 /nfs/dbraw/zinc/73/12/55/628731255.db2.gz QUWFXBKOGPFVMY-OAHLLOKOSA-N 1 1 310.781 3.251 20 5 DGBDMO O=[N+]([O-])c1ccccc1C[N@@H+](C/C=C/Cl)[C@H]1CC[C@H](O)CC1 ZINC000828807142 629095230 /nfs/dbraw/zinc/09/52/30/629095230.db2.gz JLUBHJIOWGQDIP-BUSFZLKNSA-N 1 1 324.808 3.453 20 5 DGBDMO O=[N+]([O-])c1ccccc1C[N@H+](C/C=C/Cl)[C@H]1CC[C@H](O)CC1 ZINC000828807142 629095231 /nfs/dbraw/zinc/09/52/31/629095231.db2.gz JLUBHJIOWGQDIP-BUSFZLKNSA-N 1 1 324.808 3.453 20 5 DGBDMO O=[N+]([O-])c1ccc(C[N@H+]2CC[C@H](c3cccnc3)C2)cc1F ZINC000829522393 629165773 /nfs/dbraw/zinc/16/57/73/629165773.db2.gz GHSPKJGTLXEIRS-AWEZNQCLSA-N 1 1 301.321 3.118 20 5 DGBDMO C[C@@]12C[N@@H+](Cc3ccc([N+](=O)[O-])c(F)c3)C[C@@H]1[C@@H]1C=C[C@H]2C1 ZINC000831009822 629330652 /nfs/dbraw/zinc/33/06/52/629330652.db2.gz HJANKYQMFSHBSO-OEUWWYETSA-N 1 1 302.349 3.378 20 5 DGBDMO Cc1ccc(C[N@@H+](C)C[C@@H](O)c2ccc([N+](=O)[O-])cc2)cc1C ZINC000832634185 629501124 /nfs/dbraw/zinc/50/11/24/629501124.db2.gz LCKBXJOSCUFSKM-GOSISDBHSA-N 1 1 314.385 3.377 20 5 DGBDMO CC(C)(C)C[C@@H]1CC[N@@H+](C[C@H](O)c2ccc([N+](=O)[O-])cc2)C1 ZINC000832727674 629508099 /nfs/dbraw/zinc/50/80/99/629508099.db2.gz WLGVTWNPVSWRDB-BBRMVZONSA-N 1 1 306.406 3.386 20 5 DGBDMO CC(C)[C@@H]1C[N@@H+](C[C@@H](O)c2cccc([N+](=O)[O-])c2)[C@H]1C(C)C ZINC000834387271 629703211 /nfs/dbraw/zinc/70/32/11/629703211.db2.gz DYUOWBUSYMGLEZ-BBWFWOEESA-N 1 1 306.406 3.241 20 5 DGBDMO C[C@H]1[C@@H](C)[N@H+](CCC(=O)Nc2cc([N+](=O)[O-])ccc2F)C[C@H]1C ZINC000842165172 630501031 /nfs/dbraw/zinc/50/10/31/630501031.db2.gz AJYXRTQSSLGRTI-IJLUTSLNSA-N 1 1 323.368 3.039 20 5 DGBDMO Cc1cc(C(=O)OC[C@H]2CCC[N@H+](C(C)C)C2)ccc1[N+](=O)[O-] ZINC000842835338 630582983 /nfs/dbraw/zinc/58/29/83/630582983.db2.gz WCFXSJWWJIAEDT-AWEZNQCLSA-N 1 1 320.389 3.180 20 5 DGBDMO O=[N+]([O-])c1ccc(Cl)cc1CN1CCC([C@@H]2CC[NH2+]C2)CC1 ZINC000843126026 630616603 /nfs/dbraw/zinc/61/66/03/630616603.db2.gz DWCPHHJHRUVWKE-CYBMUJFWSA-N 1 1 323.824 3.070 20 5 DGBDMO C[NH2+]Cc1ccccc1CNCc1cc(Cl)ccc1[N+](=O)[O-] ZINC000844905107 630973105 /nfs/dbraw/zinc/97/31/05/630973105.db2.gz WBYOUTKFUYLYMY-UHFFFAOYSA-N 1 1 319.792 3.257 20 5 DGBDMO CC(C)[C@H](C)[N@@H+](C)Cn1cc(-c2ccccc2[N+](=O)[O-])cn1 ZINC000848474822 631667950 /nfs/dbraw/zinc/66/79/50/631667950.db2.gz IZXBSILNORUZQV-ZDUSSCGKSA-N 1 1 302.378 3.392 20 5 DGBDMO CC(=O)c1ccc([N+](=O)[O-])cc1N[C@H]1CCC[N@H+]2CCCC[C@@H]12 ZINC000848785597 631748640 /nfs/dbraw/zinc/74/86/40/631748640.db2.gz MTOLTWCFMOIRQK-RDJZCZTQSA-N 1 1 317.389 3.226 20 5 DGBDMO C[C@@H](O)[C@@H]([NH2+]Cc1cc([N+](=O)[O-])ccc1Cl)c1ccccc1 ZINC000850420904 632147644 /nfs/dbraw/zinc/14/76/44/632147644.db2.gz TUHQKBXDXVSSGH-BDJLRTHQSA-N 1 1 320.776 3.460 20 5 DGBDMO O=[N+]([O-])c1cc(F)ccc1C[NH2+][C@H](CCO)c1cccs1 ZINC000851925879 632522532 /nfs/dbraw/zinc/52/25/32/632522532.db2.gz DILCEPSPFFEXHI-GFCCVEGCSA-N 1 1 310.350 3.009 20 5 DGBDMO C[C@H](CO)[C@H]1CCCC[N@H+]1Cc1cc(Cl)ccc1[N+](=O)[O-] ZINC000852422931 632601839 /nfs/dbraw/zinc/60/18/39/632601839.db2.gz NTVNJQGWCCSNGJ-BXUZGUMPSA-N 1 1 312.797 3.231 20 5 DGBDMO O=[N+]([O-])c1ccc(C[N@H+]2CCC[C@H]2[C@@H]2CCCO2)cc1Cl ZINC000793610313 661049713 /nfs/dbraw/zinc/04/97/13/661049713.db2.gz SXONUOHTZQAZDL-GJZGRUSLSA-N 1 1 310.781 3.392 20 5 DGBDMO O=[N+]([O-])c1ccc(C[N@H+]2CCC[C@@H]2[C@@H]2CCCO2)cc1Cl ZINC000793610312 661049984 /nfs/dbraw/zinc/04/99/84/661049984.db2.gz SXONUOHTZQAZDL-CABCVRRESA-N 1 1 310.781 3.392 20 5 DGBDMO O=[N+]([O-])c1ccc2cnn(C[N@@H+](CC3CC3)CC3CCC3)c2c1 ZINC000794710466 661100829 /nfs/dbraw/zinc/10/08/29/661100829.db2.gz LHVSEALBCCIAIM-UHFFFAOYSA-N 1 1 314.389 3.414 20 5 DGBDMO Cc1csc(C[C@H]2CC[N@H+](Cc3csc([N+](=O)[O-])c3)C2)n1 ZINC000933129430 655684842 /nfs/dbraw/zinc/68/48/42/655684842.db2.gz JRQIPSLYMSUHCH-LLVKDONJSA-N 1 1 323.443 3.486 20 5 DGBDMO Cc1csc(C[C@H]2CC[N@@H+](Cc3csc([N+](=O)[O-])c3)C2)n1 ZINC000933129430 655684843 /nfs/dbraw/zinc/68/48/43/655684843.db2.gz JRQIPSLYMSUHCH-LLVKDONJSA-N 1 1 323.443 3.486 20 5 DGBDMO O=[N+]([O-])c1cc(F)c(C[NH2+]C2([C@H]3CCCCO3)CC2)c(F)c1 ZINC000933376907 655709678 /nfs/dbraw/zinc/70/96/78/655709678.db2.gz ZPOUXPPOMJMZQL-CQSZACIVSA-N 1 1 312.316 3.064 20 5 DGBDMO COc1cc(C[N@@H+]2CCCSC[C@H]2C)c([N+](=O)[O-])cc1F ZINC000934298897 655764945 /nfs/dbraw/zinc/76/49/45/655764945.db2.gz RBXRPDNUAFLPOP-SNVBAGLBSA-N 1 1 314.382 3.070 20 5 DGBDMO COc1cc(C[N@H+]2CCCSC[C@H]2C)c([N+](=O)[O-])cc1F ZINC000934298897 655764946 /nfs/dbraw/zinc/76/49/46/655764946.db2.gz RBXRPDNUAFLPOP-SNVBAGLBSA-N 1 1 314.382 3.070 20 5 DGBDMO COc1ccc([C@@H]2CCC[N@@H+]2Cc2ccc([N+](=O)[O-])cc2)nc1 ZINC000934350372 655770193 /nfs/dbraw/zinc/77/01/93/655770193.db2.gz YFDDFHLVWQDUCK-KRWDZBQOSA-N 1 1 313.357 3.336 20 5 DGBDMO COc1ccc([C@@H]2CCC[N@H+]2Cc2ccc([N+](=O)[O-])cc2)nc1 ZINC000934350372 655770194 /nfs/dbraw/zinc/77/01/94/655770194.db2.gz YFDDFHLVWQDUCK-KRWDZBQOSA-N 1 1 313.357 3.336 20 5 DGBDMO C[C@@H]([NH2+]Cc1cc(F)ccc1[N+](=O)[O-])c1cccc([N+](=O)[O-])c1 ZINC000180415959 655965606 /nfs/dbraw/zinc/96/56/06/655965606.db2.gz BLNHKNOZQQHLPP-SNVBAGLBSA-N 1 1 319.292 3.493 20 5 DGBDMO Cc1cc(C[N@H+](Cc2ccc([N+](=O)[O-])cc2)C2CC2)c(C)nn1 ZINC000930141192 661260407 /nfs/dbraw/zinc/26/04/07/661260407.db2.gz UFKQALSDFJLBAM-UHFFFAOYSA-N 1 1 312.373 3.166 20 5 DGBDMO Cc1cc(C[N@@H+](Cc2ccc([N+](=O)[O-])cc2)C2CC2)c(C)nn1 ZINC000930141192 661260409 /nfs/dbraw/zinc/26/04/09/661260409.db2.gz UFKQALSDFJLBAM-UHFFFAOYSA-N 1 1 312.373 3.166 20 5 DGBDMO Cc1cc(C)c([N+](=O)[O-])cc1NC(=O)[C@H]1CCC[N@@H+]1C(C)C ZINC000929230959 661289908 /nfs/dbraw/zinc/28/99/08/661289908.db2.gz DVODFJIJSMEWOA-CQSZACIVSA-N 1 1 305.378 3.023 20 5 DGBDMO O=[N+]([O-])c1ccnn1C[N@@H+]1CCC[C@@H]1Cc1ccccc1Cl ZINC000057103535 659004287 /nfs/dbraw/zinc/00/42/87/659004287.db2.gz RHMHZCVDVGHCQZ-CYBMUJFWSA-N 1 1 320.780 3.109 20 5 DGBDMO O=[N+]([O-])c1ccnn1C[N@H+]1CCC[C@@H]1Cc1ccccc1Cl ZINC000057103535 659004296 /nfs/dbraw/zinc/00/42/96/659004296.db2.gz RHMHZCVDVGHCQZ-CYBMUJFWSA-N 1 1 320.780 3.109 20 5 DGBDMO Cc1cccc([C@@H]2CCC[N@@H+]2Cn2nccc2[N+](=O)[O-])c1C ZINC000172912945 659363429 /nfs/dbraw/zinc/36/34/29/659363429.db2.gz YVWNUANJVUYIOS-HNNXBMFYSA-N 1 1 300.362 3.203 20 5 DGBDMO Cc1cccc([C@@H]2CCC[N@H+]2Cn2nccc2[N+](=O)[O-])c1C ZINC000172912945 659363435 /nfs/dbraw/zinc/36/34/35/659363435.db2.gz YVWNUANJVUYIOS-HNNXBMFYSA-N 1 1 300.362 3.203 20 5 DGBDMO CN(Cc1cc(Cl)ccc1[N+](=O)[O-])C[C@H]1CCC[N@@H+](C)C1 ZINC000174864902 659891581 /nfs/dbraw/zinc/89/15/81/659891581.db2.gz RNWROQBXATXNIQ-LBPRGKRZSA-N 1 1 311.813 3.022 20 5 DGBDMO COc1ccc(C[NH2+][C@H](C)c2nc(C)cs2)cc1[N+](=O)[O-] ZINC000070943204 660100921 /nfs/dbraw/zinc/10/09/21/660100921.db2.gz JGXRXFJURSRERU-SNVBAGLBSA-N 1 1 307.375 3.219 20 5 DGBDMO Cc1cn(C)nc1C[N@H+]1CCC[C@H](c2ccc([N+](=O)[O-])cc2)C1 ZINC000930637277 661417698 /nfs/dbraw/zinc/41/76/98/661417698.db2.gz KUZDAXVNGODEHL-HNNXBMFYSA-N 1 1 314.389 3.016 20 5 DGBDMO O=[N+]([O-])c1ccc(CC[N@H+]2CCC[C@@H](C3CCOCC3)C2)cc1 ZINC000933078652 661616567 /nfs/dbraw/zinc/61/65/67/661616567.db2.gz XUINOBUQQRCCLA-QGZVFWFLSA-N 1 1 318.417 3.276 20 5 DGBDMO COc1ccc(C[N@H+](Cc2ccoc2)C2CC2)cc1[N+](=O)[O-] ZINC000934006415 661673330 /nfs/dbraw/zinc/67/33/30/661673330.db2.gz JUUBJCTWHVENEI-UHFFFAOYSA-N 1 1 302.330 3.361 20 5 DGBDMO COc1ccc(C[N@@H+](Cc2ccoc2)C2CC2)cc1[N+](=O)[O-] ZINC000934006415 661673333 /nfs/dbraw/zinc/67/33/33/661673333.db2.gz JUUBJCTWHVENEI-UHFFFAOYSA-N 1 1 302.330 3.361 20 5 DGBDMO CO[C@@H]1CC[C@@H]1[N@@H+](C)Cc1cc([N+](=O)[O-])ccc1C(F)(F)F ZINC000934112064 661680887 /nfs/dbraw/zinc/68/08/87/661680887.db2.gz QKZSVJBBYULFOP-QWHCGFSZSA-N 1 1 318.295 3.223 20 5 DGBDMO Cc1c(C[N@H+]2CC[C@@H](Cc3nccs3)C2)cccc1[N+](=O)[O-] ZINC000934336357 661698521 /nfs/dbraw/zinc/69/85/21/661698521.db2.gz ZVFQLMYRSHFXFU-ZDUSSCGKSA-N 1 1 317.414 3.424 20 5 DGBDMO O=[N+]([O-])c1cc(F)ccc1C[N@H+]1CCCC[C@@H]([C@H]2CCOC2)C1 ZINC000934834752 661739163 /nfs/dbraw/zinc/73/91/63/661739163.db2.gz RXVDLPIPQFGGJF-HIFRSBDPSA-N 1 1 322.380 3.373 20 5 DGBDMO O=[N+]([O-])c1ccc(C[N@H+]2CCCC[C@@H]([C@H]3CCOC3)C2)cc1F ZINC000934838237 661739867 /nfs/dbraw/zinc/73/98/67/661739867.db2.gz NXSAFSQYEXJNDO-CABCVRRESA-N 1 1 322.380 3.373 20 5 DGBDMO C/C(=C/c1cccc([N+](=O)[O-])c1)C[NH2+]Cc1ccc2cncn2c1 ZINC001620965181 1192682968 /nfs/dbraw/zinc/68/29/68/1192682968.db2.gz VGBUZODDDQWBOZ-AUWJEWJLSA-N 1 1 322.368 3.436 20 5 DGBDMO Cc1[nH+]cn(Cc2ccc([N+](=O)[O-])cc2Br)c1C ZINC000129263178 1176401683 /nfs/dbraw/zinc/40/16/83/1176401683.db2.gz MUGHBBKAFSSMLM-UHFFFAOYSA-N 1 1 310.151 3.219 20 5 DGBDMO O=[N+]([O-])c1cnc(N[C@@H]2CC[N@H+]3CCCC[C@H]23)c2ccccc21 ZINC001333347624 1178592554 /nfs/dbraw/zinc/59/25/54/1178592554.db2.gz ZQSNOTOLTWUPLM-HUUCEWRRSA-N 1 1 312.373 3.182 20 5 DGBDMO C[C@H](C(=O)Nc1cccc([N+](=O)[O-])c1)[N@@H+]1CC(C)(C)C1(C)C ZINC001334726151 1178786121 /nfs/dbraw/zinc/78/61/21/1178786121.db2.gz AJIMZWFHSBBTHX-LLVKDONJSA-N 1 1 305.378 3.042 20 5 DGBDMO C[C@H](C(=O)Nc1cccc([N+](=O)[O-])c1)[N@H+]1CC(C)(C)C1(C)C ZINC001334726151 1178786126 /nfs/dbraw/zinc/78/61/26/1178786126.db2.gz AJIMZWFHSBBTHX-LLVKDONJSA-N 1 1 305.378 3.042 20 5 DGBDMO C[N@H+](Cc1cc(F)cc(F)c1)C[C@H](O)c1cccc([N+](=O)[O-])c1 ZINC001343832889 1179336528 /nfs/dbraw/zinc/33/65/28/1179336528.db2.gz YGHHYDHQPFCHAP-INIZCTEOSA-N 1 1 322.311 3.038 20 5 DGBDMO C[N@H+](Cc1cc(F)cc(F)c1)C[C@@H](O)c1cccc([N+](=O)[O-])c1 ZINC001343832891 1179337091 /nfs/dbraw/zinc/33/70/91/1179337091.db2.gz YGHHYDHQPFCHAP-MRXNPFEDSA-N 1 1 322.311 3.038 20 5 DGBDMO Cc1ccc2[nH]c(C[NH2+]Cc3ccc(C)c([N+](=O)[O-])c3)nc2c1 ZINC001200845354 1180963634 /nfs/dbraw/zinc/96/36/34/1180963634.db2.gz VUJADGRTMRBBHF-UHFFFAOYSA-N 1 1 310.357 3.378 20 5 DGBDMO CC[C@H](OC(=O)[C@@H]1CCC[N@@H+]1C(C)C)c1cccc([N+](=O)[O-])c1 ZINC001435751099 1181841834 /nfs/dbraw/zinc/84/18/34/1181841834.db2.gz ZTSSXJICNRFIIB-HOTGVXAUSA-N 1 1 320.389 3.462 20 5 DGBDMO CC[C@H](OC(=O)[C@@H]1CCC[N@H+]1C(C)C)c1cccc([N+](=O)[O-])c1 ZINC001435751099 1181841838 /nfs/dbraw/zinc/84/18/38/1181841838.db2.gz ZTSSXJICNRFIIB-HOTGVXAUSA-N 1 1 320.389 3.462 20 5 DGBDMO C[N@H+]1CCN(c2cc(C(F)(F)F)ccc2[N+](=O)[O-])CC1(C)C ZINC001458463639 1182527612 /nfs/dbraw/zinc/52/76/12/1182527612.db2.gz ITXXMRBLFDMHHS-UHFFFAOYSA-N 1 1 317.311 3.144 20 5 DGBDMO COC[C@@H]1CCCC[N@@H+]1Cc1cc([N+](=O)[O-])ccc1OC(C)C ZINC001460231538 1182665204 /nfs/dbraw/zinc/66/52/04/1182665204.db2.gz CHTKGEQMIJROMM-INIZCTEOSA-N 1 1 322.405 3.383 20 5 DGBDMO COC[C@@H]1CCCC[N@H+]1Cc1cc([N+](=O)[O-])ccc1OC(C)C ZINC001460231538 1182665207 /nfs/dbraw/zinc/66/52/07/1182665207.db2.gz CHTKGEQMIJROMM-INIZCTEOSA-N 1 1 322.405 3.383 20 5 DGBDMO COc1ccc(C[N@H+]2C[C@H]3[C@H]4CC[C@H](C4)[C@@]3(C)C2)cc1[N+](=O)[O-] ZINC001460858988 1182732554 /nfs/dbraw/zinc/73/25/54/1182732554.db2.gz NACMPSGUQFQITP-JTOWHCCKSA-N 1 1 316.401 3.471 20 5 DGBDMO O=[N+]([O-])c1ccc(OCC[N@H+]2CCCC[C@H]2[C@H]2CCCO2)cc1 ZINC001460957399 1182745927 /nfs/dbraw/zinc/74/59/27/1182745927.db2.gz ZQEHLDGJGZMQEN-DLBZAZTESA-N 1 1 320.389 3.007 20 5 DGBDMO CC(C)(C)[C@@H]1CC[N@H+](Cc2ccc(F)cc2[N+](=O)[O-])CCO1 ZINC001460981235 1182750656 /nfs/dbraw/zinc/75/06/56/1182750656.db2.gz VRTXZHYQTDAQLG-HNNXBMFYSA-N 1 1 310.369 3.371 20 5 DGBDMO CC(C)(C)[C@@H]1CC[N@@H+](Cc2ccc(F)cc2[N+](=O)[O-])CCO1 ZINC001460981235 1182750659 /nfs/dbraw/zinc/75/06/59/1182750659.db2.gz VRTXZHYQTDAQLG-HNNXBMFYSA-N 1 1 310.369 3.371 20 5 DGBDMO C[N@@H+](CCc1ccc(F)cc1)CCc1cccc([N+](=O)[O-])c1 ZINC001462144206 1182914326 /nfs/dbraw/zinc/91/43/26/1182914326.db2.gz BOQMLZGOBPMXAE-UHFFFAOYSA-N 1 1 302.349 3.451 20 5 DGBDMO Cc1cc(NC(=O)[C@H](c2ccccc2)[NH+](C)C)cc([N+](=O)[O-])c1 ZINC001607512596 1193234146 /nfs/dbraw/zinc/23/41/46/1193234146.db2.gz TYZWTPBLWXCEIC-INIZCTEOSA-N 1 1 313.357 3.145 20 5 DGBDMO CCCC[N@H+]1CCCC[C@@H]1CNc1nc(C)ccc1[N+](=O)[O-] ZINC001472675044 1183664745 /nfs/dbraw/zinc/66/47/45/1183664745.db2.gz KDDOHAXPEJGUPG-CQSZACIVSA-N 1 1 306.410 3.365 20 5 DGBDMO Cn1c[nH+]cc1CCSc1nc2ccc([N+](=O)[O-])cc2s1 ZINC001472923317 1183699627 /nfs/dbraw/zinc/69/96/27/1183699627.db2.gz ZLFQFCAZFFBPGG-UHFFFAOYSA-N 1 1 320.399 3.273 20 5 DGBDMO COc1ccc(OCC[N@H+]2CCC[C@@H](C(C)C)C2)c([N+](=O)[O-])c1 ZINC001473393583 1183751873 /nfs/dbraw/zinc/75/18/73/1183751873.db2.gz WIYUPNLETDPXIW-CQSZACIVSA-N 1 1 322.405 3.350 20 5 DGBDMO C[N@H+]1CCN(Cc2cc(F)ccc2[N+](=O)[O-])CC12CCCCC2 ZINC001473487103 1183762295 /nfs/dbraw/zinc/76/22/95/1183762295.db2.gz ZNWWWKCCGSTKDS-UHFFFAOYSA-N 1 1 321.396 3.184 20 5 DGBDMO CC(C)(C)C[C@H]1CC[N@@H+](CCn2ccc([N+](=O)[O-])n2)C1(C)C ZINC001473542310 1183771462 /nfs/dbraw/zinc/77/14/62/1183771462.db2.gz QKZKKGSIJXGKKS-CYBMUJFWSA-N 1 1 308.426 3.328 20 5 DGBDMO COc1c(O)ccc(C[N@H+]2CC[C@H]3CCCC[C@@H]3C2)c1[N+](=O)[O-] ZINC001474403174 1183915656 /nfs/dbraw/zinc/91/56/56/1183915656.db2.gz ZVACOEPYUGVKJO-CHWSQXEVSA-N 1 1 320.389 3.321 20 5 DGBDMO COc1c(O)ccc(C[N@@H+](C)[C@H]2CCC[C@@H](C)C2)c1[N+](=O)[O-] ZINC001474401062 1183915904 /nfs/dbraw/zinc/91/59/04/1183915904.db2.gz DJFZKGJMHRPEEF-YPMHNXCESA-N 1 1 308.378 3.320 20 5 DGBDMO CN(C)c1cc[nH+]c(CNc2ccc([N+](=O)[O-])cc2Cl)c1 ZINC001612916970 1193463681 /nfs/dbraw/zinc/46/36/81/1193463681.db2.gz MYRYMUGQHYCZBR-UHFFFAOYSA-N 1 1 306.753 3.321 20 5 DGBDMO Cc1cc(N(C)CC[C@H]2CCCC[N@H+]2C)c(F)cc1[N+](=O)[O-] ZINC001559118480 1189172721 /nfs/dbraw/zinc/17/27/21/1189172721.db2.gz IGCLEPVMKKDCNB-CYBMUJFWSA-N 1 1 309.385 3.353 20 5 DGBDMO C[N@H+]1CCCC[C@@H](CNc2ncc([N+](=O)[O-])c3ccccc32)C1 ZINC001559237077 1189184486 /nfs/dbraw/zinc/18/44/86/1189184486.db2.gz BQYLFKSUFYKQKC-ZDUSSCGKSA-N 1 1 314.389 3.287 20 5 DGBDMO O=[N+]([O-])c1ccc(OCC[N@H+]2CCSC[C@@H]2C2CCC2)cc1 ZINC001559926490 1189257652 /nfs/dbraw/zinc/25/76/52/1189257652.db2.gz RNPCGPFMYMUCMV-MRXNPFEDSA-N 1 1 322.430 3.191 20 5 DGBDMO Cc1ncc([N+](=O)[O-])n1CC[N@H+]1CC[C@H]([C@@H]2CCCC2(C)C)C1 ZINC001559937230 1189258968 /nfs/dbraw/zinc/25/89/68/1189258968.db2.gz XGFHITCGFAENCY-GJZGRUSLSA-N 1 1 320.437 3.248 20 5 DGBDMO O=[N+]([O-])c1cccc(Br)c1C[NH2+]C1CC(F)(F)C1 ZINC001560440206 1189329914 /nfs/dbraw/zinc/32/99/14/1189329914.db2.gz MMFOWLXEMRUVMN-UHFFFAOYSA-N 1 1 321.121 3.245 20 5 DGBDMO CO[C@@](C)(C[N@@H+](Cc1ccc([N+](=O)[O-])cc1)C1CC1)C1CC1 ZINC001560639347 1189354378 /nfs/dbraw/zinc/35/43/78/1189354378.db2.gz UUIPVEGSDFRLFD-KRWDZBQOSA-N 1 1 304.390 3.374 20 5 DGBDMO COc1c(O)ccc(C[N@H+]2C[C@@H](C)CC(C)(C)C2)c1[N+](=O)[O-] ZINC001560706636 1189363165 /nfs/dbraw/zinc/36/31/65/1189363165.db2.gz OISBUBGGGFGOIX-NSHDSACASA-N 1 1 308.378 3.177 20 5 DGBDMO O=[N+]([O-])c1ccc(OC2C[NH+](C[C@H]3C[C@H]3c3ccccc3)C2)cc1 ZINC001560876539 1189398770 /nfs/dbraw/zinc/39/87/70/1189398770.db2.gz OMMUHMAFBDSMAK-BEFAXECRSA-N 1 1 324.380 3.462 20 5 DGBDMO C[C@@H](CCc1ccccc1[N+](=O)[O-])[NH2+]C[C@H]1CCC(C)(C)CN1 ZINC001575967106 1191520987 /nfs/dbraw/zinc/52/09/87/1191520987.db2.gz VAWZUILTZOWFLR-GOEBONIOSA-N 1 1 319.449 3.284 20 5 DGBDMO CC1(C)[C@H](N)C[C@@H]1[NH2+][C@H]1CCC[C@@H]1Cc1ccccc1[N+](=O)[O-] ZINC001576384106 1191576403 /nfs/dbraw/zinc/57/64/03/1191576403.db2.gz UAAIWXQKOBVLCZ-UOJCXKCYSA-N 1 1 317.433 3.021 20 5 DGBDMO Cc1ccc(C[N@H+]2C[C@H](C)OC3(CCCC3)C2)cc1[N+](=O)[O-] ZINC001619744519 1193761200 /nfs/dbraw/zinc/76/12/00/1193761200.db2.gz KPNRXLXALXYVMJ-AWEZNQCLSA-N 1 1 304.390 3.437 20 5 DGBDMO Cc1ccc(C[N@@H+]2C[C@H](C)OC3(CCCC3)C2)cc1[N+](=O)[O-] ZINC001619744519 1193761203 /nfs/dbraw/zinc/76/12/03/1193761203.db2.gz KPNRXLXALXYVMJ-AWEZNQCLSA-N 1 1 304.390 3.437 20 5 DGBDMO CC(C)(C)[C@@H]1CC[N@H+](Cc2ccc([N+](=O)[O-])c(F)c2)CCO1 ZINC001620681268 1193790471 /nfs/dbraw/zinc/79/04/71/1193790471.db2.gz HDHHHICXQCQHNX-HNNXBMFYSA-N 1 1 310.369 3.371 20 5 DGBDMO CC(C)(C)[C@@H]1CC[N@@H+](Cc2ccc([N+](=O)[O-])c(F)c2)CCO1 ZINC001620681268 1193790476 /nfs/dbraw/zinc/79/04/76/1193790476.db2.gz HDHHHICXQCQHNX-HNNXBMFYSA-N 1 1 310.369 3.371 20 5 DGBDMO Cc1ccc([C@H](C)NC(=O)C[N@@H+](C)CC(C)(C)C)cc1[N+](=O)[O-] ZINC001630156271 1194272075 /nfs/dbraw/zinc/27/20/75/1194272075.db2.gz HNZQRGLQJRKVEY-ZDUSSCGKSA-N 1 1 321.421 3.058 20 5 DGBDMO COc1cc(NCC[N@H+]2CCC[C@H]2C)c(Cl)cc1[N+](=O)[O-] ZINC001639551445 1194771492 /nfs/dbraw/zinc/77/14/92/1194771492.db2.gz PARIKOBZNHAPJK-SNVBAGLBSA-N 1 1 313.785 3.153 20 5 DGBDMO CC[N@H+]1CCC[C@H](Nc2ncc([N+](=O)[O-])c3ccccc32)C1 ZINC001640468361 1194815131 /nfs/dbraw/zinc/81/51/31/1194815131.db2.gz AGCHUABXRKPBPM-LBPRGKRZSA-N 1 1 300.362 3.039 20 5 DGBDMO CC[N@H+]1CCCN(c2c(Cl)c(Cl)ccc2[N+](=O)[O-])CC1 ZINC001642223694 1194894458 /nfs/dbraw/zinc/89/44/58/1194894458.db2.gz GNCAZPOCQNLEAL-UHFFFAOYSA-N 1 1 318.204 3.434 20 5 DGBDMO CC[C@H]([NH2+]Cc1cccnc1[N+](=O)[O-])c1cccc([N+](=O)[O-])c1 ZINC001642519000 1194916365 /nfs/dbraw/zinc/91/63/65/1194916365.db2.gz YYHSXZQRLCDMOJ-AWEZNQCLSA-N 1 1 316.317 3.139 20 5 DGBDMO C[N@H+]1CC[C@@H]2CN(c3c(Cl)c(Cl)ccc3[N+](=O)[O-])C[C@@H]21 ZINC001642709572 1194930732 /nfs/dbraw/zinc/93/07/32/1194930732.db2.gz CBFUSSKEKVYHGC-KCJUWKMLSA-N 1 1 316.188 3.042 20 5 DGBDMO C[C@H]1CN(c2sccc2[N+](=O)[O-])CC[N@@H+]1Cc1ccccc1 ZINC001642793009 1194939896 /nfs/dbraw/zinc/93/98/96/1194939896.db2.gz GTNLGGCCLMMWAD-ZDUSSCGKSA-N 1 1 317.414 3.367 20 5 DGBDMO C[C@H]1CN(c2sccc2[N+](=O)[O-])CC[N@H+]1Cc1ccccc1 ZINC001642793009 1194939897 /nfs/dbraw/zinc/93/98/97/1194939897.db2.gz GTNLGGCCLMMWAD-ZDUSSCGKSA-N 1 1 317.414 3.367 20 5 DGBDMO C[N@H+]1CC[C@@H]1CNc1cc(Cl)c(C(F)(F)F)cc1[N+](=O)[O-] ZINC001643213717 1195006048 /nfs/dbraw/zinc/00/60/48/1195006048.db2.gz KBBHNHABZCLRGL-SSDOTTSWSA-N 1 1 323.702 3.383 20 5 DGBDMO C[N@H+]1C[C@@]2(C)CN(Cc3ccc(Cl)c([N+](=O)[O-])c3)C[C@@]2(C)C1 ZINC001644042201 1195076205 /nfs/dbraw/zinc/07/62/05/1195076205.db2.gz MHFNMUGYAKKUEE-IYBDPMFKSA-N 1 1 323.824 3.022 20 5 DGBDMO CO[C@@]1(C)C[C@@H]([N@@H+](C)CCOc2ccccc2[N+](=O)[O-])C1(C)C ZINC001644692144 1195127234 /nfs/dbraw/zinc/12/72/34/1195127234.db2.gz ZFEMVRAXJDTSDE-WBVHZDCISA-N 1 1 322.405 3.109 20 5 DGBDMO CC[C@@H]1C[N@@H+](CC)CCN1Cc1ccc(Cl)c([N+](=O)[O-])c1 ZINC001645635104 1195195530 /nfs/dbraw/zinc/19/55/30/1195195530.db2.gz MOWOQVRLBJYTLK-CYBMUJFWSA-N 1 1 311.813 3.164 20 5 DGBDMO C[N@@H+](CCn1cc([N+](=O)[O-])cn1)C1CC(C)(C)CC(C)(C)C1 ZINC001647475111 1195248632 /nfs/dbraw/zinc/24/86/32/1195248632.db2.gz UQIWAKUSUUTTOH-UHFFFAOYSA-N 1 1 308.426 3.328 20 5 DGBDMO CCC[N@H+]1CCCC[C@@H]1C(=O)N[C@H](C)c1ccc([N+](=O)[O-])cc1 ZINC001651698921 1195499358 /nfs/dbraw/zinc/49/93/58/1195499358.db2.gz FBJJEHGWIUCJQO-CZUORRHYSA-N 1 1 319.405 3.037 20 5 DGBDMO Cc1ccc([N+](=O)[O-])c(N2CC[N@@H+](C3CCCC3)[C@@H](C)C2)c1 ZINC001652234061 1195566650 /nfs/dbraw/zinc/56/66/50/1195566650.db2.gz MXOQNKVTZXTTSX-AWEZNQCLSA-N 1 1 303.406 3.356 20 5 DGBDMO C[C@H]1[C@H](Nc2ccc([N+](=O)[O-])c(C(F)(F)F)c2)CC[N@H+]1C ZINC001652248934 1195568965 /nfs/dbraw/zinc/56/89/65/1195568965.db2.gz XSJRQEBJLHADJX-GZMMTYOYSA-N 1 1 303.284 3.118 20 5 DGBDMO Cc1ncc([N+](=O)[O-])n1CC[N@H+](C)[C@H](c1ccccc1)C(C)C ZINC001652484526 1195605647 /nfs/dbraw/zinc/60/56/47/1195605647.db2.gz WNVDHNGXDLQIPA-KRWDZBQOSA-N 1 1 316.405 3.429 20 5 DGBDMO C[C@@H](Cc1cccs1)[N@@H+](C)C[C@H](O)c1ccc([N+](=O)[O-])cc1 ZINC001652665623 1195634204 /nfs/dbraw/zinc/63/42/04/1195634204.db2.gz OGUDSUKGTGVDJC-LRDDRELGSA-N 1 1 320.414 3.253 20 5 DGBDMO COc1ccc(OCC[N@H+]2CC[C@@H](C(C)(C)C)C2)c([N+](=O)[O-])c1 ZINC001653862456 1195755097 /nfs/dbraw/zinc/75/50/97/1195755097.db2.gz HRUGWEYPDONMHV-CYBMUJFWSA-N 1 1 322.405 3.350 20 5 DGBDMO CC(C)(C)C[C@H]1CC[N@@H+](CC(=O)Nc2ccccc2[N+](=O)[O-])C1 ZINC001653915555 1195760066 /nfs/dbraw/zinc/76/00/66/1195760066.db2.gz LGYOGMLYSUTHNK-CYBMUJFWSA-N 1 1 319.405 3.291 20 5 DGBDMO CC(C)C1(O)CC[NH+](Cc2cc([N+](=O)[O-])ccc2Cl)CC1 ZINC001655088918 1195874841 /nfs/dbraw/zinc/87/48/41/1195874841.db2.gz WLHVCHWWUMELSQ-UHFFFAOYSA-N 1 1 312.797 3.231 20 5 DGBDMO Cc1ccc(C[N@@H+]2C[C@@H]3C[C@H]2CN3c2ccccc2)cc1[N+](=O)[O-] ZINC001655446436 1195918114 /nfs/dbraw/zinc/91/81/14/1195918114.db2.gz YDIPZJCHMWHTMH-ROUUACIJSA-N 1 1 323.396 3.366 20 5 DGBDMO Cc1ccc(C[N@H+]2C[C@@H]3C[C@H]2CN3c2ccccc2)cc1[N+](=O)[O-] ZINC001655446436 1195918117 /nfs/dbraw/zinc/91/81/17/1195918117.db2.gz YDIPZJCHMWHTMH-ROUUACIJSA-N 1 1 323.396 3.366 20 5 DGBDMO Cc1ccc([N+](=O)[O-])c(C)c1CNCC[N@H+](C)C1CCCC1 ZINC001655579532 1195935279 /nfs/dbraw/zinc/93/52/79/1195935279.db2.gz CLHHPWZDLRKNQC-UHFFFAOYSA-N 1 1 305.422 3.176 20 5 DGBDMO Cc1ccc([N+](=O)[O-])c(C)c1C[NH2+]CCN(C)C1CCCC1 ZINC001655579532 1195935281 /nfs/dbraw/zinc/93/52/81/1195935281.db2.gz CLHHPWZDLRKNQC-UHFFFAOYSA-N 1 1 305.422 3.176 20 5 DGBDMO CCC[C@@H]1CCC[N@H+]1Cc1nnc(-c2ccccc2[N+](=O)[O-])o1 ZINC001656385162 1196034685 /nfs/dbraw/zinc/03/46/85/1196034685.db2.gz ZLMXRIKTLXTDCU-GFCCVEGCSA-N 1 1 316.361 3.409 20 5 DGBDMO O=[N+]([O-])c1ccc(CC[N@H+]2CCCC[C@@H]2[C@H]2CCCO2)cc1 ZINC001656506024 1196045444 /nfs/dbraw/zinc/04/54/44/1196045444.db2.gz GGYXDVXLDNHSIA-IAGOWNOFSA-N 1 1 304.390 3.171 20 5 DGBDMO COc1ccc([N+](=O)[O-])cc1C[NH2+]Cc1cc(O)cc(Cl)c1 ZINC001656998523 1196091881 /nfs/dbraw/zinc/09/18/81/1196091881.db2.gz JZJZPMLAEXFENK-UHFFFAOYSA-N 1 1 322.748 3.252 20 5 DGBDMO CCn1cnc(Cl)c1C[NH2+]Cc1ccc(C)c([N+](=O)[O-])c1 ZINC001657839336 1196183135 /nfs/dbraw/zinc/18/31/35/1196183135.db2.gz GDAABCIFSUVOJW-UHFFFAOYSA-N 1 1 308.769 3.063 20 5 DGBDMO CC(C)[C@@H]1CCCCC[N@H+]1Cc1ccc(C(N)=O)cc1[N+](=O)[O-] ZINC001657971796 1196198123 /nfs/dbraw/zinc/19/81/23/1196198123.db2.gz KIQMXQRSYDODCE-HNNXBMFYSA-N 1 1 319.405 3.094 20 5 DGBDMO C[N@@H+](CCc1cccc(F)c1)CCc1cccc([N+](=O)[O-])c1 ZINC001658392645 1196250059 /nfs/dbraw/zinc/25/00/59/1196250059.db2.gz NBXWQRKKNKRJKT-UHFFFAOYSA-N 1 1 302.349 3.451 20 5 DGBDMO C/C(=C\c1cccc([N+](=O)[O-])c1)C[N@H+]1C[C@H](O)CC(C)(C)C1 ZINC001658730091 1196292866 /nfs/dbraw/zinc/29/28/66/1196292866.db2.gz ARSUTBSKPUBORM-ROCHPLJESA-N 1 1 304.390 3.091 20 5 DGBDMO COc1ccc(OCC[N@H+]2CC[C@@H](C3CCC3)C2)c([N+](=O)[O-])c1 ZINC001658997405 1196329169 /nfs/dbraw/zinc/32/91/69/1196329169.db2.gz FLZUGUIRZGRBTB-CQSZACIVSA-N 1 1 320.389 3.104 20 5 DGBDMO COc1c(O)ccc(C[N@H+]2C[C@H](C)CCC[C@H]2C)c1[N+](=O)[O-] ZINC001659104073 1196344952 /nfs/dbraw/zinc/34/49/52/1196344952.db2.gz KUXHZMKXZZOJFF-VXGBXAGGSA-N 1 1 308.378 3.320 20 5 DGBDMO CCOC(OCC)[C@H](C)[NH2+]Cc1ccc(Cl)cc1[N+](=O)[O-] ZINC001659143902 1196351859 /nfs/dbraw/zinc/35/18/59/1196351859.db2.gz MSJNQUGXTLWVSD-JTQLQIEISA-N 1 1 316.785 3.125 20 5 DGBDMO COc1nc(C[NH2+]C(C)(C)c2ccccc2[N+](=O)[O-])ccc1C ZINC001664848093 1197068079 /nfs/dbraw/zinc/06/80/79/1197068079.db2.gz ZZXLAPOETKLRAF-UHFFFAOYSA-N 1 1 315.373 3.332 20 5 DGBDMO CC(C)(C)[N@@H+]1CC[C@H]1CNCc1ccc(Cl)cc1[N+](=O)[O-] ZINC001665217819 1197110244 /nfs/dbraw/zinc/11/02/44/1197110244.db2.gz LTHXKLCXHADLMP-ZDUSSCGKSA-N 1 1 311.813 3.211 20 5 DGBDMO CC(C)(C)[N@H+]1CC[C@H]1CNCc1ccc(Cl)cc1[N+](=O)[O-] ZINC001665217819 1197110248 /nfs/dbraw/zinc/11/02/48/1197110248.db2.gz LTHXKLCXHADLMP-ZDUSSCGKSA-N 1 1 311.813 3.211 20 5 DGBDMO COC[C@@H](O)C[N@@H+](C)Cc1c2ccccc2cc2ccccc21 ZINC000092256257 1198550293 /nfs/dbraw/zinc/55/02/93/1198550293.db2.gz WWMPYUBZTKPIHN-KRWDZBQOSA-N 1 1 309.409 3.432 20 5 DGBDMO CCO[C@H]1C[C@H]([N@@H+](C)Cc2ccc(F)cc2[N+](=O)[O-])C1(C)C ZINC001167473050 1082202999 /nfs/dbraw/zinc/20/29/99/1082202999.db2.gz FNKPFJLPGLXPEA-GJZGRUSLSA-N 1 1 310.369 3.369 20 5 DGBDMO COc1ccc(C[C@H](C)[N@H+]2C[C@@H]3CCC[C@@H]3C2)c([N+](=O)[O-])c1 ZINC001170328336 1082347420 /nfs/dbraw/zinc/34/74/20/1082347420.db2.gz JXVADMSFXJSHOF-AEGPPILISA-N 1 1 304.390 3.266 20 5 DGBDMO O=[N+]([O-])c1ccc2c(c1)C[N@@H+](C[C@H]1CCC3(CCC3)CO1)CC2 ZINC001167647437 1082641761 /nfs/dbraw/zinc/64/17/61/1082641761.db2.gz MJTUYEVFAOHZCI-QGZVFWFLSA-N 1 1 316.401 3.302 20 5 DGBDMO O=[N+]([O-])c1ccc2c(c1)C[N@H+](C[C@H]1CCC3(CCC3)CO1)CC2 ZINC001167647437 1082641763 /nfs/dbraw/zinc/64/17/63/1082641763.db2.gz MJTUYEVFAOHZCI-QGZVFWFLSA-N 1 1 316.401 3.302 20 5 DGBDMO Cc1cc([N+](=O)[O-])c(OC(C)C)cc1NC1C[NH+](C(C)C)C1 ZINC001168317514 1087292028 /nfs/dbraw/zinc/29/20/28/1087292028.db2.gz PAZUPAAYQFVOHQ-UHFFFAOYSA-N 1 1 307.394 3.195 20 5 DGBDMO Clc1ccc2ccc3ccc(N4CC[N@H+]5CC[C@H]5C4)nc3c2n1 ZINC001158432298 1087834329 /nfs/dbraw/zinc/83/43/29/1087834329.db2.gz JANBMGKBFGFUSO-AWEZNQCLSA-N 1 1 324.815 3.331 20 5 DGBDMO CC(C)[N@H+]1CCN(c2ccc3ccc([N+](=O)[O-])cc3n2)C[C@@H]1C ZINC001158494935 1087871126 /nfs/dbraw/zinc/87/11/26/1087871126.db2.gz STXANUIEXLHYMP-ZDUSSCGKSA-N 1 1 314.389 3.062 20 5 DGBDMO O=[N+]([O-])c1cc(Nc2ccccc2C2=CC[NH2+]CC2)ccc1O ZINC001160023322 1088606861 /nfs/dbraw/zinc/60/68/61/1088606861.db2.gz LGOLCRKQWDVNJL-UHFFFAOYSA-N 1 1 311.341 3.421 20 5 DGBDMO CCOc1nc(NCCC[N@H+]2CCCC[C@@H]2C)ccc1[N+](=O)[O-] ZINC001156929757 1089753502 /nfs/dbraw/zinc/75/35/02/1089753502.db2.gz YTYPCUHQRSEECJ-ZDUSSCGKSA-N 1 1 322.409 3.065 20 5 DGBDMO CC(C)[N@H+]1CC[C@H](Nc2cc(Cl)cc([N+](=O)[O-])n2)[C@@H](C)C1 ZINC001163360855 1090162213 /nfs/dbraw/zinc/16/22/13/1090162213.db2.gz GGINQBNTAJPDOO-JQWIXIFHSA-N 1 1 312.801 3.174 20 5 DGBDMO CC1(C)CCC[N@H+]1CCNc1ncc([N+](=O)[O-])c2ccccc21 ZINC001163480722 1090196642 /nfs/dbraw/zinc/19/66/42/1090196642.db2.gz MDORDKABAAAJRL-UHFFFAOYSA-N 1 1 314.389 3.429 20 5 DGBDMO C[C@H]1CCCN(c2cc(/C=C/[NH+](C)C)c([N+](=O)[O-])cn2)[C@H]1C ZINC001166612568 1090629028 /nfs/dbraw/zinc/62/90/28/1090629028.db2.gz OQHNKAIDTOOCBJ-VOWYIILJSA-N 1 1 304.394 3.147 20 5 DGBDMO C[N@@H+](CCc1cccc([N+](=O)[O-])c1)Cc1cccn1C(F)F ZINC001205503801 1091236997 /nfs/dbraw/zinc/23/69/97/1091236997.db2.gz JTDJWAGRGDUNBZ-UHFFFAOYSA-N 1 1 309.316 3.466 20 5 DGBDMO CC[N@@H+]([C@H](C)Cc1ccc(OC)cc1)[C@@H]1CC[C@H](C[N+](=O)[O-])C1 ZINC001169005916 1092482849 /nfs/dbraw/zinc/48/28/49/1092482849.db2.gz DHVRFRFHCTWKBR-HYVNUMGLSA-N 1 1 320.433 3.394 20 5 DGBDMO O=[N+]([O-])C[C@@H]1CC[C@@H]([N@H+]2CCC[C@H](Cc3ccccc3)C2)C1 ZINC001169027893 1092494128 /nfs/dbraw/zinc/49/41/28/1092494128.db2.gz RMZOOGJVWFYKIW-KZNAEPCWSA-N 1 1 302.418 3.387 20 5 DGBDMO O=[N+]([O-])C[C@@H]1CC[C@H]([N@H+]2CCC[C@H](OCc3ccccc3)C2)C1 ZINC001169040210 1092501472 /nfs/dbraw/zinc/50/14/72/1092501472.db2.gz YTMPUIPXTUKFAG-SQNIBIBYSA-N 1 1 318.417 3.113 20 5 DGBDMO C[N@H+]([C@H]1CC[C@@H](C[N+](=O)[O-])C1)C1CCN(C2CCCCC2)CC1 ZINC001169054570 1092512264 /nfs/dbraw/zinc/51/22/64/1092512264.db2.gz MRINJYZXCNORNE-QAPCUYQASA-N 1 1 323.481 3.161 20 5 DGBDMO 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O=[N+]([O-])c1ccc(OCCC[N@H+]2CCC[C@H](C3CC3)C2)cc1 ZINC001194817665 1101016861 /nfs/dbraw/zinc/01/68/61/1101016861.db2.gz REBQPVQFOCDUMH-HNNXBMFYSA-N 1 1 304.390 3.486 20 5 DGBDMO O=[N+]([O-])c1ccccc1OCC[N@H+]1CCCC[C@@H]1[C@H]1CCCO1 ZINC001198685180 1101957874 /nfs/dbraw/zinc/95/78/74/1101957874.db2.gz HXKIBZCVUNVVGS-GDBMZVCRSA-N 1 1 320.389 3.007 20 5 DGBDMO CC[N@H+]1CCC[C@H](CNc2ccnc3cc([N+](=O)[O-])ccc32)C1 ZINC001327615661 1103693205 /nfs/dbraw/zinc/69/32/05/1103693205.db2.gz HHGOPBQYORIZDC-CYBMUJFWSA-N 1 1 314.389 3.287 20 5 DGBDMO CCOc1cccc(NC[C@@H]2CCC[N@@H+](CC)C2)c1[N+](=O)[O-] ZINC001327616554 1103693763 /nfs/dbraw/zinc/69/37/63/1103693763.db2.gz NFQTXIKLJCCMTR-ZDUSSCGKSA-N 1 1 307.394 3.137 20 5 DGBDMO NC1(C[NH2+][C@@H]2CCc3ccc([N+](=O)[O-])cc3CC2)CCCCC1 ZINC001246279628 1104472771 /nfs/dbraw/zinc/47/27/71/1104472771.db2.gz NYRUVVQXKSGADJ-MRXNPFEDSA-N 1 1 317.433 3.093 20 5 DGBDMO CS[C@@H]1CC[C@H]([N@@H+](C)CCOc2ccc([N+](=O)[O-])cc2)C1 ZINC001330089850 1104478153 /nfs/dbraw/zinc/47/81/53/1104478153.db2.gz YEGGAUQPNUXHPC-DZGCQCFKSA-N 1 1 310.419 3.190 20 5 DGBDMO CC(=O)Nc1cc(Nc2ccc([N+](=O)[O-])cc2Cl)cc[nH+]1 ZINC001248598310 1105134147 /nfs/dbraw/zinc/13/41/47/1105134147.db2.gz LLENRWXTXMFAGQ-UHFFFAOYSA-N 1 1 306.709 3.345 20 5 DGBDMO C[C@H](Cc1ccccc1[N+](=O)[O-])[N@@H+]1CCC(=O)[C@@H]2CCCC[C@H]21 ZINC001254550097 1106101850 /nfs/dbraw/zinc/10/18/50/1106101850.db2.gz CQDTXZYQWLPVKO-FRFSOERESA-N 1 1 316.401 3.359 20 5 DGBDMO C[C@H](Cc1ccccc1[N+](=O)[O-])[N@H+]1CCC(=O)[C@@H]2CCCC[C@H]21 ZINC001254550097 1106101853 /nfs/dbraw/zinc/10/18/53/1106101853.db2.gz CQDTXZYQWLPVKO-FRFSOERESA-N 1 1 316.401 3.359 20 5 DGBDMO COC[C@@]12CCC[C@@H]1C[N@H+]([C@H](C)Cc1ccccc1[N+](=O)[O-])C2 ZINC001254558034 1106103030 /nfs/dbraw/zinc/10/30/30/1106103030.db2.gz SGKNRPYTYHYYQF-KYJSFNMBSA-N 1 1 318.417 3.274 20 5 DGBDMO COC[C@@]12CCC[C@@H]1C[N@H+]([C@@H](C)Cc1ccccc1[N+](=O)[O-])C2 ZINC001254558037 1106103119 /nfs/dbraw/zinc/10/31/19/1106103119.db2.gz SGKNRPYTYHYYQF-LESCRADOSA-N 1 1 318.417 3.274 20 5 DGBDMO C[C@@H](Cc1ccccc1[N+](=O)[O-])[N@H+]1CC[C@@]2(C1)CCCOC2 ZINC001254563823 1106104533 /nfs/dbraw/zinc/10/45/33/1106104533.db2.gz DLNPKGLMOJHLND-WMLDXEAASA-N 1 1 304.390 3.028 20 5 DGBDMO C[C@H](Cc1ccccc1[N+](=O)[O-])[N@H+]1CC[C@H](c2cccnc2)C1 ZINC001254562616 1106104544 /nfs/dbraw/zinc/10/45/44/1106104544.db2.gz ODXAFRCICYBSHR-PBHICJAKSA-N 1 1 311.385 3.410 20 5 DGBDMO C[C@@H](Cc1ccccc1[N+](=O)[O-])N1CC[N@@H+](C)CC12CCCC2 ZINC001254567402 1106105281 /nfs/dbraw/zinc/10/52/81/1106105281.db2.gz CVEHIESPONNMLV-HNNXBMFYSA-N 1 1 317.433 3.086 20 5 DGBDMO C[C@@H](Cc1ccccc1[N+](=O)[O-])[N@@H+]1CCN(C)CC12CCCC2 ZINC001254567402 1106105284 /nfs/dbraw/zinc/10/52/84/1106105284.db2.gz CVEHIESPONNMLV-HNNXBMFYSA-N 1 1 317.433 3.086 20 5 DGBDMO C[C@@H](Cc1ccccc1[N+](=O)[O-])[N@H+]1CCN(C)CC12CCCC2 ZINC001254567402 1106105288 /nfs/dbraw/zinc/10/52/88/1106105288.db2.gz CVEHIESPONNMLV-HNNXBMFYSA-N 1 1 317.433 3.086 20 5 DGBDMO C[C@H](Cc1ccccc1[N+](=O)[O-])[N@@H+]1CCC[C@@H]1c1ncccn1 ZINC001254568543 1106105887 /nfs/dbraw/zinc/10/58/87/1106105887.db2.gz GZQZILYDKOZRNE-CZUORRHYSA-N 1 1 312.373 3.153 20 5 DGBDMO C[C@H](Cc1ccccc1[N+](=O)[O-])[N@H+]1CCC[C@@H]1c1ncccn1 ZINC001254568543 1106105892 /nfs/dbraw/zinc/10/58/92/1106105892.db2.gz GZQZILYDKOZRNE-CZUORRHYSA-N 1 1 312.373 3.153 20 5 DGBDMO C[N@@H+](CCC(=O)c1ccccc1)[C@H]1Cc2ccc([N+](=O)[O-])cc2C1 ZINC001254602852 1106111502 /nfs/dbraw/zinc/11/15/02/1106111502.db2.gz JGUOLIZWLVCYGB-SFHVURJKSA-N 1 1 324.380 3.267 20 5 DGBDMO O=[N+]([O-])c1ccc2c(c1)C[C@@H]([N@H+]1CCC[C@H](C(F)(F)F)C1)C2 ZINC001254600933 1106111626 /nfs/dbraw/zinc/11/16/26/1106111626.db2.gz SLYKOYBLSGMRIW-JSGCOSHPSA-N 1 1 314.307 3.336 20 5 DGBDMO C[N@@H+](Cc1nc2ccccc2o1)[C@H]1Cc2ccc([N+](=O)[O-])cc2C1 ZINC001254604361 1106111640 /nfs/dbraw/zinc/11/16/40/1106111640.db2.gz WDGNFJVBOMIEPL-HNNXBMFYSA-N 1 1 323.352 3.335 20 5 DGBDMO O=[N+]([O-])c1ccc2c(c1)C[C@@H]([N@H+]1CCc3cc(F)ccc3C1)C2 ZINC001254607706 1106112297 /nfs/dbraw/zinc/11/22/97/1106112297.db2.gz MHWYXOVADGAUEU-SFHVURJKSA-N 1 1 312.344 3.259 20 5 DGBDMO C[C@H](C(=O)Nc1ccc([N+](=O)[O-])cc1)[N@@H+]1CC(C)(C)C1(C)C ZINC001319995924 1106774938 /nfs/dbraw/zinc/77/49/38/1106774938.db2.gz REVNSFRBZKIMEY-LLVKDONJSA-N 1 1 305.378 3.042 20 5 DGBDMO C[C@H](C(=O)Nc1ccc([N+](=O)[O-])cc1)[N@H+]1CC(C)(C)C1(C)C ZINC001319995924 1106774951 /nfs/dbraw/zinc/77/49/51/1106774951.db2.gz REVNSFRBZKIMEY-LLVKDONJSA-N 1 1 305.378 3.042 20 5 DGBDMO CS[C@@H]1CC[C@@H]([N@@H+](C)Cc2nc3cc([N+](=O)[O-])ccc3[nH]2)C1 ZINC001320814037 1107146124 /nfs/dbraw/zinc/14/61/24/1107146124.db2.gz JLSOJNQIQAAZMM-ZYHUDNBSSA-N 1 1 320.418 3.187 20 5 DGBDMO CCC[N@@H+]1CCCC[C@H]1C(=O)O[C@H](C)c1ccccc1[N+](=O)[O-] ZINC001322153600 1107544681 /nfs/dbraw/zinc/54/46/81/1107544681.db2.gz MHIDKKDFLVSNEX-CJNGLKHVSA-N 1 1 320.389 3.464 20 5 DGBDMO CCC[N@H+]1CCCC[C@H]1C(=O)O[C@H](C)c1ccccc1[N+](=O)[O-] ZINC001322153600 1107544689 /nfs/dbraw/zinc/54/46/89/1107544689.db2.gz MHIDKKDFLVSNEX-CJNGLKHVSA-N 1 1 320.389 3.464 20 5 DGBDMO Cn1cc[nH+]c1CCNc1cc(C(F)(F)F)ccc1[N+](=O)[O-] ZINC001262674855 1107773736 /nfs/dbraw/zinc/77/37/36/1107773736.db2.gz NULMFBNBXRGBTG-UHFFFAOYSA-N 1 1 314.267 3.002 20 5 DGBDMO Cc1cn2cc(Nc3nc4cc([N+](=O)[O-])ccc4[nH]3)ccc2[nH+]1 ZINC001306972913 1111255930 /nfs/dbraw/zinc/25/59/30/1111255930.db2.gz OTSBSRSRWYQZGD-UHFFFAOYSA-N 1 1 308.301 3.171 20 5 DGBDMO Cc1ccc(C[N@H+](CCn2c(C)ncc2[N+](=O)[O-])C(C)C)s1 ZINC001307428189 1111298975 /nfs/dbraw/zinc/29/89/75/1111298975.db2.gz NVZIKKWCEKWSPH-UHFFFAOYSA-N 1 1 322.434 3.380 20 5 DGBDMO COc1ccc(C[C@@H]2CC[N@@H+]2Cc2csc([N+](=O)[O-])c2)cc1 ZINC001307524402 1111310379 /nfs/dbraw/zinc/31/03/79/1111310379.db2.gz SZMACCHBISMXNQ-AWEZNQCLSA-N 1 1 318.398 3.482 20 5 DGBDMO COc1ccc(C[C@@H]2CC[N@H+]2Cc2csc([N+](=O)[O-])c2)cc1 ZINC001307524402 1111310381 /nfs/dbraw/zinc/31/03/81/1111310381.db2.gz SZMACCHBISMXNQ-AWEZNQCLSA-N 1 1 318.398 3.482 20 5 DGBDMO C[C@@H]1C[N@@H+](CCOc2ccc([N+](=O)[O-])cc2)[C@@H]2CCCC[C@@H]21 ZINC001307603810 1111319121 /nfs/dbraw/zinc/31/91/21/1111319121.db2.gz PXCLJRLTXGGVJM-KBRIMQKVSA-N 1 1 304.390 3.484 20 5 DGBDMO Cc1ncc([N+](=O)[O-])n1CC[N@H+](C)[C@H]1CCC[C@H]1C(C)(C)C ZINC001307854823 1111347558 /nfs/dbraw/zinc/34/75/58/1111347558.db2.gz XAQWWPVRLQWGDZ-KGLIPLIRSA-N 1 1 308.426 3.246 20 5 DGBDMO COc1c(O)ccc(C[N@@H+](C)[C@@H]2CCCC[C@@H]2C)c1[N+](=O)[O-] ZINC001308754286 1111470819 /nfs/dbraw/zinc/47/08/19/1111470819.db2.gz JBRHDHRTKULZIC-WCQYABFASA-N 1 1 308.378 3.320 20 5 DGBDMO CC[N@@H+](C)[C@H]1CCN(C/C(C)=C\c2cccc([N+](=O)[O-])c2)C1 ZINC001308986851 1111506414 /nfs/dbraw/zinc/50/64/14/1111506414.db2.gz IHHPXRUBUYHZBB-QXSWTLKVSA-N 1 1 303.406 3.024 20 5 DGBDMO C[C@H]1C[C@H](Nc2ccc3cc([N+](=O)[O-])ccc3n2)CC[N@H+]1C ZINC000317097265 231156358 /nfs/dbraw/zinc/15/63/58/231156358.db2.gz BFCDDLVOWUJPTK-WCQYABFASA-N 1 1 300.362 3.038 20 5 DGBDMO C[C@H](O)C[C@@H]1CCCCC[N@H+]1Cc1ccc([N+](=O)[O-])cc1F ZINC000319343720 231182864 /nfs/dbraw/zinc/18/28/64/231182864.db2.gz PDNBIAUJMDYYFW-JSGCOSHPSA-N 1 1 310.369 3.249 20 5 DGBDMO CCn1nc(C[NH2+]Cc2ccc([N+](=O)[O-])cc2)c2ccccc21 ZINC000320975105 231200253 /nfs/dbraw/zinc/20/02/53/231200253.db2.gz GQJMJALGSSJSOI-UHFFFAOYSA-N 1 1 310.357 3.254 20 5 DGBDMO CC[C@@]1(O)CC[N@@H+](Cc2ccc(-c3cccc([N+](=O)[O-])c3)o2)C1 ZINC000428431124 529575267 /nfs/dbraw/zinc/57/52/67/529575267.db2.gz KSGJADNOGVQINJ-QGZVFWFLSA-N 1 1 316.357 3.202 20 5 DGBDMO CC[C@H](C)[N@@H+](C)CCNc1ncc([N+](=O)[O-])cc1C(F)(F)F ZINC000413106537 529690498 /nfs/dbraw/zinc/69/04/98/529690498.db2.gz BCZPPHUWJOFJIA-VIFPVBQESA-N 1 1 320.315 3.151 20 5 DGBDMO O=[N+]([O-])c1ccccc1-c1ccc(C[N@@H+]2CCC[C@@H]2CO)s1 ZINC000092470857 185320789 /nfs/dbraw/zinc/32/07/89/185320789.db2.gz BPHYPLFSGNMRAP-GFCCVEGCSA-N 1 1 318.398 3.280 20 5 DGBDMO C[N@@H+](CCCCNc1ccc([N+](=O)[O-])c2cnccc12)C1CC1 ZINC000413344430 529884400 /nfs/dbraw/zinc/88/44/00/529884400.db2.gz CUCPNSZAUYHRKK-UHFFFAOYSA-N 1 1 314.389 3.429 20 5 DGBDMO C[N@@H+](CCCNc1ncc([N+](=O)[O-])cc1F)C1CCCCC1 ZINC000413053062 529892105 /nfs/dbraw/zinc/89/21/05/529892105.db2.gz ZKOPZQDCUUMVAG-UHFFFAOYSA-N 1 1 310.373 3.195 20 5 DGBDMO C[N@@H+](CCOc1c(F)cccc1[N+](=O)[O-])Cc1ccccc1 ZINC000418953452 529924887 /nfs/dbraw/zinc/92/48/87/529924887.db2.gz URUWVYKVRBIFOR-UHFFFAOYSA-N 1 1 304.321 3.245 20 5 DGBDMO O=[N+]([O-])c1ccc(C[N@@H+](CCOCC(F)(F)F)C2CC2)cc1 ZINC000130043412 432013534 /nfs/dbraw/zinc/01/35/34/432013534.db2.gz XRKXYCRNAMHDHK-UHFFFAOYSA-N 1 1 318.295 3.138 20 5 DGBDMO CC(C)Oc1ccc([N+](=O)[O-])cc1C[N@H+]1CCC[C@@](C)(O)CC1 ZINC000279995796 215299271 /nfs/dbraw/zinc/29/92/71/215299271.db2.gz JBGSHEGJLLUBRL-QGZVFWFLSA-N 1 1 322.405 3.119 20 5 DGBDMO CC[C@@H]1CCCCC[N@H+]1CC(=O)Nc1ccccc1[N+](=O)[O-] ZINC000150745443 186062492 /nfs/dbraw/zinc/06/24/92/186062492.db2.gz FEFFPEIJMHHNPN-CYBMUJFWSA-N 1 1 305.378 3.188 20 5 DGBDMO CC[C@@](C)([NH2+]Cc1ccc(OC)c([N+](=O)[O-])c1)c1nccs1 ZINC000152657626 186094427 /nfs/dbraw/zinc/09/44/27/186094427.db2.gz UEWNGJIXOBCLJO-OAHLLOKOSA-N 1 1 321.402 3.475 20 5 DGBDMO Cn1cc2c(n1)CCC[C@H]2[NH2+]Cc1ccc([N+](=O)[O-])cc1Cl ZINC000280123981 215393183 /nfs/dbraw/zinc/39/31/83/215393183.db2.gz OLYIGWMTHLYMAM-CQSZACIVSA-N 1 1 320.780 3.149 20 5 DGBDMO CCCCCNC(=O)C[N@H+](Cc1ccc([N+](=O)[O-])cc1)C(C)C ZINC000067458395 432031198 /nfs/dbraw/zinc/03/11/98/432031198.db2.gz TVFCWOKMIRGZHI-UHFFFAOYSA-N 1 1 321.421 3.112 20 5 DGBDMO CCCCCNC(=O)C[N@@H+](Cc1ccc([N+](=O)[O-])cc1)C(C)C ZINC000067458395 432031201 /nfs/dbraw/zinc/03/12/01/432031201.db2.gz TVFCWOKMIRGZHI-UHFFFAOYSA-N 1 1 321.421 3.112 20 5 DGBDMO CN(C)CC(C)(C)C[NH2+][C@@H](Cc1ccccc1[N+](=O)[O-])C1CC1 ZINC000132107268 432044530 /nfs/dbraw/zinc/04/45/30/432044530.db2.gz ZEVAPKDDZCCLOC-INIZCTEOSA-N 1 1 319.449 3.093 20 5 DGBDMO CC(C)[N@H+](CC[C@@H]1CCC[NH+]1C)Cc1ccc([N+](=O)[O-])cc1 ZINC000179409397 432057143 /nfs/dbraw/zinc/05/71/43/432057143.db2.gz DRLSXUWVQXXODM-INIZCTEOSA-N 1 1 305.422 3.290 20 5 DGBDMO CC(C)[N@@H+](CC[C@@H]1CCC[NH+]1C)Cc1ccc([N+](=O)[O-])cc1 ZINC000179409397 432057145 /nfs/dbraw/zinc/05/71/45/432057145.db2.gz DRLSXUWVQXXODM-INIZCTEOSA-N 1 1 305.422 3.290 20 5 DGBDMO C[N@H+](Cc1ccc(-c2cccc([N+](=O)[O-])c2)o1)C[C@@H]1CCOC1 ZINC000180159740 199125030 /nfs/dbraw/zinc/12/50/30/199125030.db2.gz PLPITVTVVHIGSG-ZDUSSCGKSA-N 1 1 316.357 3.323 20 5 DGBDMO CC[C@H]1[C@H](C)CC[N@H+]1Cc1nc(-c2cccc([N+](=O)[O-])c2)no1 ZINC000185658735 199875271 /nfs/dbraw/zinc/87/52/71/199875271.db2.gz CXZXDJKHNTUXBJ-RISCZKNCSA-N 1 1 316.361 3.265 20 5 DGBDMO CCC(=O)c1ccc(N[C@@H]2CC[N@H+]3CCCC[C@@H]23)c([N+](=O)[O-])c1 ZINC000280798027 215874092 /nfs/dbraw/zinc/87/40/92/215874092.db2.gz VMHIZLPQNQRGLC-CABCVRRESA-N 1 1 317.389 3.226 20 5 DGBDMO C[C@@H]1CCCC[N@@H+](Cc2nc(-c3cccc([N+](=O)[O-])c3)no2)C1 ZINC000187975028 200185560 /nfs/dbraw/zinc/18/55/60/200185560.db2.gz CGGCEJQCGPAQLU-GFCCVEGCSA-N 1 1 316.361 3.267 20 5 DGBDMO C[C@H]1[C@@H](Nc2ccnc3c2cccc3[N+](=O)[O-])CCC[N@H+]1C ZINC000432144173 238119719 /nfs/dbraw/zinc/11/97/19/238119719.db2.gz VWGADGWWGIPJFN-AAEUAGOBSA-N 1 1 300.362 3.038 20 5 DGBDMO COc1ccc(OCC[N@@H+](CC(C)C)C2CC2)c([N+](=O)[O-])c1 ZINC000441187326 239018998 /nfs/dbraw/zinc/01/89/98/239018998.db2.gz GCHQGCFHGXEEQX-UHFFFAOYSA-N 1 1 308.378 3.103 20 5 DGBDMO Cc1c(C[N@@H+]2CCC[C@@](CO)(C(C)C)C2)cccc1[N+](=O)[O-] ZINC000292897864 223298132 /nfs/dbraw/zinc/29/81/32/223298132.db2.gz AGWTUQDVGRWZSG-QGZVFWFLSA-N 1 1 306.406 3.134 20 5 DGBDMO C[C@H](O)[C@H]1C[C@H](C)CC[N@H+]1Cc1c(Cl)cccc1[N+](=O)[O-] ZINC000443317493 239189744 /nfs/dbraw/zinc/18/97/44/239189744.db2.gz XWGDPZBFLPLRTN-JRPNMDOOSA-N 1 1 312.797 3.230 20 5 DGBDMO O=[N+]([O-])c1cc(C[N@@H+](CCO)Cc2ccccc2)ccc1Cl ZINC000268539811 432103425 /nfs/dbraw/zinc/10/34/25/432103425.db2.gz GGUMDAPLIPNKFK-UHFFFAOYSA-N 1 1 320.776 3.243 20 5 DGBDMO CC(C)[C@@H](C)[N@@H+](C)CCC(=O)Nc1cc([N+](=O)[O-])ccc1F ZINC000275479939 212361749 /nfs/dbraw/zinc/36/17/49/212361749.db2.gz NLPUPDLBJYCKAJ-LLVKDONJSA-N 1 1 311.357 3.039 20 5 DGBDMO CC[C@@H]1C[N@@H+](CC)CCN1C/C=C\c1ccccc1[N+](=O)[O-] ZINC000449566970 240292098 /nfs/dbraw/zinc/29/20/98/240292098.db2.gz SPDIACPSSRSZAR-DZFYGRHCSA-N 1 1 303.406 3.024 20 5 DGBDMO Cc1cnc(C[N@@H+]2CCC[C@@H](c3ccc([N+](=O)[O-])cc3)C2)o1 ZINC000451544043 241165541 /nfs/dbraw/zinc/16/55/41/241165541.db2.gz DCWXXZOHPQSNLU-CQSZACIVSA-N 1 1 301.346 3.271 20 5 DGBDMO Cc1cnc(C[N@H+]2CCC[C@@H](c3ccc([N+](=O)[O-])cc3)C2)o1 ZINC000451544043 241165548 /nfs/dbraw/zinc/16/55/48/241165548.db2.gz DCWXXZOHPQSNLU-CQSZACIVSA-N 1 1 301.346 3.271 20 5 DGBDMO O=[N+]([O-])c1ccc([C@H]2CCC[N@H+](CCN3CCCCC3)C2)cc1 ZINC000451548781 241169460 /nfs/dbraw/zinc/16/94/60/241169460.db2.gz OKUCYSXIVBSCRG-KRWDZBQOSA-N 1 1 317.433 3.260 20 5 DGBDMO O=[N+]([O-])c1ccc([C@H]2CCC[N@@H+](CCN3CCCCC3)C2)cc1 ZINC000451548781 241169467 /nfs/dbraw/zinc/16/94/67/241169467.db2.gz OKUCYSXIVBSCRG-KRWDZBQOSA-N 1 1 317.433 3.260 20 5 DGBDMO O=[N+]([O-])c1cc(Cl)ccc1C[N@H+]1CC[C@@H]2C[C@@H](O)CC[C@H]2C1 ZINC000451706216 241214560 /nfs/dbraw/zinc/21/45/60/241214560.db2.gz LTWYLHWPNWBKCR-XUJVJEKNSA-N 1 1 324.808 3.231 20 5 DGBDMO O=[N+]([O-])c1ccc(CC[N@H+]2CCC[C@]3(CCSC3)C2)cc1 ZINC000451955377 241282803 /nfs/dbraw/zinc/28/28/03/241282803.db2.gz BDAJRNKDWIAZDM-INIZCTEOSA-N 1 1 306.431 3.356 20 5 DGBDMO C[C@@H]1C[N@@H+](Cc2ccc(-c3ccccc3[N+](=O)[O-])o2)CC[C@@H]1O ZINC000190059481 432119059 /nfs/dbraw/zinc/11/90/59/432119059.db2.gz IAHXVWCILFKLMX-WBMJQRKESA-N 1 1 316.357 3.058 20 5 DGBDMO CC[N@H+](CCNC/C(C)=C/c1cccc([N+](=O)[O-])c1)C(C)C ZINC000468645668 244059241 /nfs/dbraw/zinc/05/92/41/244059241.db2.gz QWIUAVSEOKCBFO-RVDMUPIBSA-N 1 1 305.422 3.318 20 5 DGBDMO CC[N@@H+](CCNC/C(C)=C/c1cccc([N+](=O)[O-])c1)C(C)C ZINC000468645668 244059251 /nfs/dbraw/zinc/05/92/51/244059251.db2.gz QWIUAVSEOKCBFO-RVDMUPIBSA-N 1 1 305.422 3.318 20 5 DGBDMO COc1ccc(OCC[N@H+]2C[C@@H](C)CC2(C)C)c([N+](=O)[O-])c1 ZINC000472299704 244296037 /nfs/dbraw/zinc/29/60/37/244296037.db2.gz VNJMLXNCQBPZRI-LBPRGKRZSA-N 1 1 308.378 3.103 20 5 DGBDMO O=[N+]([O-])c1cccc(-c2cnc(CC[N@H+]3C[C@H]4CCC[C@@H]43)o2)c1 ZINC000472562119 244309266 /nfs/dbraw/zinc/30/92/66/244309266.db2.gz HBXZLDLABHURQY-HIFRSBDPSA-N 1 1 313.357 3.277 20 5 DGBDMO CN(Cc1c(Cl)cccc1[N+](=O)[O-])C[C@H]1CCC[N@@H+](C)C1 ZINC000119219933 284137798 /nfs/dbraw/zinc/13/77/98/284137798.db2.gz LZKIOFYFEAWEBK-LBPRGKRZSA-N 1 1 311.813 3.022 20 5 DGBDMO C[C@H](CCO)[N@@H+](Cc1ccccc1)Cc1cccc([N+](=O)[O-])c1 ZINC000093304097 193227972 /nfs/dbraw/zinc/22/79/72/193227972.db2.gz FSVVJSYFGLIDPA-OAHLLOKOSA-N 1 1 314.385 3.368 20 5 DGBDMO O=[N+]([O-])c1ccc2c(c1)C[N@@H+](Cc1cccc3c[nH]nc31)CC2 ZINC000093338287 193234850 /nfs/dbraw/zinc/23/48/50/193234850.db2.gz WAFOPIHOOGUHCX-UHFFFAOYSA-N 1 1 308.341 3.029 20 5 DGBDMO O=[N+]([O-])c1ccc2c(c1)C[N@H+](Cc1cccc3c[nH]nc31)CC2 ZINC000093338287 193234852 /nfs/dbraw/zinc/23/48/52/193234852.db2.gz WAFOPIHOOGUHCX-UHFFFAOYSA-N 1 1 308.341 3.029 20 5 DGBDMO C[C@@H](CCO)[N@@H+](Cc1ccccc1)Cc1ccccc1[N+](=O)[O-] ZINC000093302965 193226569 /nfs/dbraw/zinc/22/65/69/193226569.db2.gz WLRCPZDQCDUOFA-HNNXBMFYSA-N 1 1 314.385 3.368 20 5 DGBDMO CC[C@H]1CCCC[C@@H]1[N@@H+](C)Cc1ccc(C(N)=O)cc1[N+](=O)[O-] ZINC000120829559 284179527 /nfs/dbraw/zinc/17/95/27/284179527.db2.gz KRLUGGNZADAIIJ-WFASDCNBSA-N 1 1 319.405 3.094 20 5 DGBDMO CC[C@@H]1CCCC[C@H]1[N@@H+](C)Cc1ccc(C(N)=O)cc1[N+](=O)[O-] ZINC000120829712 284179548 /nfs/dbraw/zinc/17/95/48/284179548.db2.gz KRLUGGNZADAIIJ-IUODEOHRSA-N 1 1 319.405 3.094 20 5 DGBDMO CCC[C@@H]([NH2+]C[C@H]1CCCN(C)C1)c1cccc([N+](=O)[O-])c1 ZINC000121212149 284191275 /nfs/dbraw/zinc/19/12/75/284191275.db2.gz IUWMMRAFSUEMDI-RHSMWYFYSA-N 1 1 305.422 3.367 20 5 DGBDMO CCC[C@@H](NC[C@H]1CCC[N@H+](C)C1)c1cccc([N+](=O)[O-])c1 ZINC000121212149 284191278 /nfs/dbraw/zinc/19/12/78/284191278.db2.gz IUWMMRAFSUEMDI-RHSMWYFYSA-N 1 1 305.422 3.367 20 5 DGBDMO CCC[C@@H](NC[C@H]1CCC[N@@H+](C)C1)c1cccc([N+](=O)[O-])c1 ZINC000121212149 284191280 /nfs/dbraw/zinc/19/12/80/284191280.db2.gz IUWMMRAFSUEMDI-RHSMWYFYSA-N 1 1 305.422 3.367 20 5 DGBDMO Cc1cccc([N+](=O)[O-])c1N1CC[N@H+]([C@@H]2C[C@H]2C)C[C@H](C)C1 ZINC000488718919 245220743 /nfs/dbraw/zinc/22/07/43/245220743.db2.gz HNQQUWRRCIVKNQ-JGGQBBKZSA-N 1 1 303.406 3.070 20 5 DGBDMO CC[C@H]1C[N@H+](Cc2ccc(-c3ccc([N+](=O)[O-])cc3)o2)CCO1 ZINC000125539155 284278302 /nfs/dbraw/zinc/27/83/02/284278302.db2.gz FYQRKIHWYCVSLZ-HNNXBMFYSA-N 1 1 316.357 3.466 20 5 DGBDMO CC[C@H]1C[N@@H+](Cc2ccc(-c3ccc([N+](=O)[O-])cc3)o2)CCO1 ZINC000125539155 284278304 /nfs/dbraw/zinc/27/83/04/284278304.db2.gz FYQRKIHWYCVSLZ-HNNXBMFYSA-N 1 1 316.357 3.466 20 5 DGBDMO COC(=O)c1coc([C@H](C)[NH2+][C@H](C)c2cccc([N+](=O)[O-])c2)c1 ZINC000278168294 214000035 /nfs/dbraw/zinc/00/00/35/214000035.db2.gz CENFCOBHLRKGGQ-MNOVXSKESA-N 1 1 318.329 3.386 20 5 DGBDMO CCOC(=O)CCCCC[N@@H+](C)CCc1cccc([N+](=O)[O-])c1 ZINC000282516407 217054774 /nfs/dbraw/zinc/05/47/74/217054774.db2.gz SRBIHPLJPIWLQT-UHFFFAOYSA-N 1 1 322.405 3.193 20 5 DGBDMO CC[N@@H+](C)C[C@H]1CCN(C/C(C)=C\c2cccc([N+](=O)[O-])c2)C1 ZINC000470178631 284352626 /nfs/dbraw/zinc/35/26/26/284352626.db2.gz LQKFVYKUJFROMZ-XBNGYDHASA-N 1 1 317.433 3.272 20 5 DGBDMO O=[N+]([O-])c1cccc(Cl)c1C[N@@H+]1CC[C@@]2(O)CCCC[C@@H]2C1 ZINC000128513668 284377752 /nfs/dbraw/zinc/37/77/52/284377752.db2.gz BKZBZMWZEABCPK-WBMJQRKESA-N 1 1 324.808 3.375 20 5 DGBDMO O=[N+]([O-])c1cccc(Cl)c1C[N@H+]1CC[C@@]2(O)CCCC[C@@H]2C1 ZINC000128513668 284377756 /nfs/dbraw/zinc/37/77/56/284377756.db2.gz BKZBZMWZEABCPK-WBMJQRKESA-N 1 1 324.808 3.375 20 5 DGBDMO CC[C@H](N[C@@H]1CC[N@H+]2CCCC[C@@H]12)c1cccc([N+](=O)[O-])c1 ZINC000268775124 432130749 /nfs/dbraw/zinc/13/07/49/432130749.db2.gz NMSSVPCCDBGELC-BBWFWOEESA-N 1 1 303.406 3.262 20 5 DGBDMO CC[C@H]([NH2+][C@@H]1CCN2CCCC[C@@H]12)c1cccc([N+](=O)[O-])c1 ZINC000268775124 432130752 /nfs/dbraw/zinc/13/07/52/432130752.db2.gz NMSSVPCCDBGELC-BBWFWOEESA-N 1 1 303.406 3.262 20 5 DGBDMO CCOCC[N@@H+](C)Cc1ccc(-c2cccc([N+](=O)[O-])c2)o1 ZINC000181487481 432131388 /nfs/dbraw/zinc/13/13/88/432131388.db2.gz PBSLGXPEKJUHCS-UHFFFAOYSA-N 1 1 304.346 3.323 20 5 DGBDMO C[N@@H+](Cc1c(Cl)cccc1[N+](=O)[O-])C[C@H]1CCCC[C@H]1O ZINC000494791148 246191264 /nfs/dbraw/zinc/19/12/64/246191264.db2.gz NWOYZARXODGZHT-IAQYHMDHSA-N 1 1 312.797 3.231 20 5 DGBDMO C[N@H+](Cc1c(Cl)cccc1[N+](=O)[O-])C[C@H]1CCCC[C@H]1O ZINC000494791148 246191269 /nfs/dbraw/zinc/19/12/69/246191269.db2.gz NWOYZARXODGZHT-IAQYHMDHSA-N 1 1 312.797 3.231 20 5 DGBDMO O=[N+]([O-])c1cccc(F)c1C[N@@H+]1CCC[C@H](OCC2CC2)C1 ZINC000494644140 246175628 /nfs/dbraw/zinc/17/56/28/246175628.db2.gz YUHHHEQKWNCIIZ-ZDUSSCGKSA-N 1 1 308.353 3.125 20 5 DGBDMO O=[N+]([O-])c1cccc(F)c1C[N@H+]1CCC[C@H](OCC2CC2)C1 ZINC000494644140 246175631 /nfs/dbraw/zinc/17/56/31/246175631.db2.gz YUHHHEQKWNCIIZ-ZDUSSCGKSA-N 1 1 308.353 3.125 20 5 DGBDMO O=[N+]([O-])c1cnc(NC[C@@H](c2ccco2)[NH+]2CCCCC2)s1 ZINC000190301909 432142441 /nfs/dbraw/zinc/14/24/41/432142441.db2.gz NYTSDYAQQGGFDZ-NSHDSACASA-N 1 1 322.390 3.283 20 5 DGBDMO C[N@@H+](CCNc1ccc([N+](=O)[O-])cc1C(F)(F)F)C1CC1 ZINC000062010325 184201197 /nfs/dbraw/zinc/20/11/97/184201197.db2.gz WVPPITUPTIPKLA-UHFFFAOYSA-N 1 1 303.284 3.120 20 5 DGBDMO O=[N+]([O-])c1ccc(OCC[N@H+]2CCC[C@H]2c2ccc[nH]2)cc1 ZINC000065535063 184362392 /nfs/dbraw/zinc/36/23/92/184362392.db2.gz NXTXOPCTFKRSIG-INIZCTEOSA-N 1 1 301.346 3.139 20 5 DGBDMO COc1ccc(OCC[N@@H+](C)C(C2CC2)C2CC2)c([N+](=O)[O-])c1 ZINC000173590010 533014015 /nfs/dbraw/zinc/01/40/15/533014015.db2.gz MPFOVTALHDMPGK-UHFFFAOYSA-N 1 1 320.389 3.103 20 5 DGBDMO CC[N@@H+](Cc1ccc(C(N)=O)cc1[N+](=O)[O-])[C@H]1CCCC[C@H]1C ZINC000249366964 285070038 /nfs/dbraw/zinc/07/00/38/285070038.db2.gz MRZFWGSUPHBNCO-DOMZBBRYSA-N 1 1 319.405 3.094 20 5 DGBDMO CC1CCC([N@@H+](C)CCC(=O)Nc2ccccc2[N+](=O)[O-])CC1 ZINC000336969543 253028779 /nfs/dbraw/zinc/02/87/79/253028779.db2.gz BMLPFIBQRQGBNP-UHFFFAOYSA-N 1 1 319.405 3.434 20 5 DGBDMO O=[N+]([O-])c1cc(F)ccc1N1CC[C@@H]2[C@@H](CCC[N@H+]2C2CC2)C1 ZINC000269408794 285096104 /nfs/dbraw/zinc/09/61/04/285096104.db2.gz IOUYHBAJYXAWSP-SWLSCSKDSA-N 1 1 319.380 3.187 20 5 DGBDMO Cc1cnc(N[C@@H](C)[C@@H]2CCC[N@H+](C3CCC3)C2)c([N+](=O)[O-])c1 ZINC000273011031 210389929 /nfs/dbraw/zinc/38/99/29/210389929.db2.gz SDGISJILQFLEAM-UONOGXRCSA-N 1 1 318.421 3.363 20 5 DGBDMO O=[N+]([O-])c1ccc(C[N@H+]2CC3(CCC3)[C@H]2[C@H]2CCCO2)cc1 ZINC000289638551 285112134 /nfs/dbraw/zinc/11/21/34/285112134.db2.gz SFXWVVUXBBZFKH-HZPDHXFCSA-N 1 1 302.374 3.128 20 5 DGBDMO Cc1ccc(CCC[N@H+](C)CCc2cccc([N+](=O)[O-])c2)cn1 ZINC000338954951 253377676 /nfs/dbraw/zinc/37/76/76/253377676.db2.gz RTBHLUIOGXJUAP-UHFFFAOYSA-N 1 1 313.401 3.405 20 5 DGBDMO Cc1nc(NC[C@H]2CCCC[N@@H+]2CC(C)C)ccc1[N+](=O)[O-] ZINC000301785657 229893821 /nfs/dbraw/zinc/89/38/21/229893821.db2.gz LOGGQKYYSXSWLE-CQSZACIVSA-N 1 1 306.410 3.221 20 5 DGBDMO O=[N+]([O-])c1ccc2c(c1)[C@@H]([NH2+][C@@H]1CCCc3c[nH]nc31)CCC2 ZINC000278639253 285144382 /nfs/dbraw/zinc/14/43/82/285144382.db2.gz HJWGVRKQMMOZIQ-JKSUJKDBSA-N 1 1 312.373 3.363 20 5 DGBDMO O=[N+]([O-])c1cnn(CC[N@H+]2CCC[C@@H]2c2ccccc2Cl)c1 ZINC000157735980 197211837 /nfs/dbraw/zinc/21/18/37/197211837.db2.gz VSHQYBPWYJAQRG-OAHLLOKOSA-N 1 1 320.780 3.282 20 5 DGBDMO CC(C)Oc1ccc([N+](=O)[O-])cc1C[N@@H+](C)CC[C@H]1CCCO1 ZINC000342601549 254017203 /nfs/dbraw/zinc/01/72/03/254017203.db2.gz WHHUJSOEIVCCBM-MRXNPFEDSA-N 1 1 322.405 3.383 20 5 DGBDMO CN(CCC[N@@H+](C)Cc1ccco1)c1ccccc1[N+](=O)[O-] ZINC000343757517 254185338 /nfs/dbraw/zinc/18/53/38/254185338.db2.gz GFUPEJDAPRQKAD-UHFFFAOYSA-N 1 1 303.362 3.146 20 5 DGBDMO CN(CCC[N@@H+](C)Cc1ccco1)c1ccc(F)cc1[N+](=O)[O-] ZINC000343804711 254190832 /nfs/dbraw/zinc/19/08/32/254190832.db2.gz GTRFICGOQCCBGQ-UHFFFAOYSA-N 1 1 321.352 3.285 20 5 DGBDMO CCC[N@H+]1CCC[C@@H]1CNc1ccc([N+](=O)[O-])c2cccnc12 ZINC000343976828 254208613 /nfs/dbraw/zinc/20/86/13/254208613.db2.gz RTEJMSRZPFUXSB-CYBMUJFWSA-N 1 1 314.389 3.429 20 5 DGBDMO CC[C@@H]1CCC[N@H+]([C@@H](C)C(=O)Nc2ccccc2[N+](=O)[O-])CC1 ZINC000343888007 254200229 /nfs/dbraw/zinc/20/02/29/254200229.db2.gz UDFUFZWIXGQTKG-UONOGXRCSA-N 1 1 319.405 3.434 20 5 DGBDMO C[N@@H+](CCC(=O)Nc1ccc([N+](=O)[O-])cc1)C[C@@H]1CC=CCC1 ZINC000344054513 254218809 /nfs/dbraw/zinc/21/88/09/254218809.db2.gz JACNVHWARXLKNE-CQSZACIVSA-N 1 1 317.389 3.212 20 5 DGBDMO CC[C@]1(C)CC[N@H+]([C@@H](C)C(=O)Nc2cccc([N+](=O)[O-])c2C)C1 ZINC000344212477 254239759 /nfs/dbraw/zinc/23/97/59/254239759.db2.gz DEPDBFBOBQNTPC-SUMWQHHRSA-N 1 1 319.405 3.352 20 5 DGBDMO CC[C@@]1(C)CC[N@H+]([C@@H](C)C(=O)Nc2cccc([N+](=O)[O-])c2C)C1 ZINC000344212476 254239826 /nfs/dbraw/zinc/23/98/26/254239826.db2.gz DEPDBFBOBQNTPC-GUYCJALGSA-N 1 1 319.405 3.352 20 5 DGBDMO CCCN1CCC([NH2+][C@@H](C)c2ccc(C)c([N+](=O)[O-])c2)CC1 ZINC000120709975 195222221 /nfs/dbraw/zinc/22/22/21/195222221.db2.gz BPPZXLIVMOGZTH-AWEZNQCLSA-N 1 1 305.422 3.428 20 5 DGBDMO CC(C)Cn1cc(C[N@@H+](C)CCc2ccccc2[N+](=O)[O-])cn1 ZINC000289650371 221129939 /nfs/dbraw/zinc/12/99/39/221129939.db2.gz XZMIASCAFFFOQV-UHFFFAOYSA-N 1 1 316.405 3.122 20 5 DGBDMO COc1cccc(C[N@@H+](C)CCc2ccccc2[N+](=O)[O-])c1 ZINC000352539323 285354704 /nfs/dbraw/zinc/35/47/04/285354704.db2.gz XFQDVRYTLXGEFW-UHFFFAOYSA-N 1 1 300.358 3.278 20 5 DGBDMO C/C(=C\c1cccc([N+](=O)[O-])c1)CN1CC[N@@H+](C)[C@H](C(C)C)C1 ZINC000488570577 533406609 /nfs/dbraw/zinc/40/66/09/533406609.db2.gz DLAOHXHCCWAFDA-KAPURRDVSA-N 1 1 317.433 3.270 20 5 DGBDMO Cc1c([C@H](C)N[C@H]2CC[N@H+](C(C)(C)C)C2)cccc1[N+](=O)[O-] ZINC000595057531 400094178 /nfs/dbraw/zinc/09/41/78/400094178.db2.gz ZIVMICHOUHALGF-KBPBESRZSA-N 1 1 305.422 3.427 20 5 DGBDMO Cc1c([C@H](C)[NH2+][C@H]2CCN(C(C)(C)C)C2)cccc1[N+](=O)[O-] ZINC000595057531 400094183 /nfs/dbraw/zinc/09/41/83/400094183.db2.gz ZIVMICHOUHALGF-KBPBESRZSA-N 1 1 305.422 3.427 20 5 DGBDMO Cc1noc(C[N@H+]2CCC[C@H]2Cc2ccc(F)cc2)c1[N+](=O)[O-] ZINC000595292590 400118373 /nfs/dbraw/zinc/11/83/73/400118373.db2.gz AYTHJFYSPFYXKN-AWEZNQCLSA-N 1 1 319.336 3.237 20 5 DGBDMO COc1cccc(C[N@H+](C)Cc2ccc(F)cc2[N+](=O)[O-])c1 ZINC000595291994 400118572 /nfs/dbraw/zinc/11/85/72/400118572.db2.gz NTGUXPGMZRGHRN-UHFFFAOYSA-N 1 1 304.321 3.375 20 5 DGBDMO COc1cccc(C[N@@H+](C)Cc2ccc(F)cc2[N+](=O)[O-])c1 ZINC000595291994 400118577 /nfs/dbraw/zinc/11/85/77/400118577.db2.gz NTGUXPGMZRGHRN-UHFFFAOYSA-N 1 1 304.321 3.375 20 5 DGBDMO C[C@H]([NH2+][C@@H]1CC(C)(C)c2ccc([N+](=O)[O-])cc21)c1nccn1C ZINC000595108562 400108717 /nfs/dbraw/zinc/10/87/17/400108717.db2.gz SKWLZLXOPDKUMZ-XHDPSFHLSA-N 1 1 314.389 3.402 20 5 DGBDMO Cn1ccnc1[C@@H]([NH2+]C1CC(C)(C)C1)c1cccc([N+](=O)[O-])c1 ZINC000595107707 400108970 /nfs/dbraw/zinc/10/89/70/400108970.db2.gz HNQCSGAVJAARDI-HNNXBMFYSA-N 1 1 314.389 3.196 20 5 DGBDMO CC(C)[C@@H]1CCC[N@@H+](CC(=O)Nc2ccccc2[N+](=O)[O-])CC1 ZINC000303640003 400109762 /nfs/dbraw/zinc/10/97/62/400109762.db2.gz QSRWXRCIRGJRBZ-CQSZACIVSA-N 1 1 319.405 3.291 20 5 DGBDMO COc1ccc([C@H]2CCC[N@@H+]2Cc2onc(C)c2[N+](=O)[O-])cc1 ZINC000595291743 400119062 /nfs/dbraw/zinc/11/90/62/400119062.db2.gz MOMQEUXOQDACPK-CQSZACIVSA-N 1 1 317.345 3.237 20 5 DGBDMO COc1ccc([C@H]2CCC[N@H+]2Cc2onc(C)c2[N+](=O)[O-])cc1 ZINC000595291743 400119066 /nfs/dbraw/zinc/11/90/66/400119066.db2.gz MOMQEUXOQDACPK-CQSZACIVSA-N 1 1 317.345 3.237 20 5 DGBDMO COc1cc([N+](=O)[O-])ccc1[C@H](C)[NH2+]Cc1cncc(C)c1 ZINC000595036318 400084955 /nfs/dbraw/zinc/08/49/55/400084955.db2.gz QXVCRNRFAIYTKG-LBPRGKRZSA-N 1 1 301.346 3.158 20 5 DGBDMO O=[N+]([O-])c1ccc(-c2ccc(C[N@@H+]3CCC[C@@H]3CO)s2)cc1 ZINC000092470739 400175260 /nfs/dbraw/zinc/17/52/60/400175260.db2.gz VTQNNCGHXAAARP-CQSZACIVSA-N 1 1 318.398 3.280 20 5 DGBDMO Cc1nc(C[N@@H+]2CCC[C@@H](c3ccc([N+](=O)[O-])cc3)C2)co1 ZINC000595524373 400178403 /nfs/dbraw/zinc/17/84/03/400178403.db2.gz MGFIAJKKFCSYFK-CQSZACIVSA-N 1 1 301.346 3.271 20 5 DGBDMO Cc1nc(C[N@H+]2CCC[C@@H](c3ccc([N+](=O)[O-])cc3)C2)co1 ZINC000595524373 400178406 /nfs/dbraw/zinc/17/84/06/400178406.db2.gz MGFIAJKKFCSYFK-CQSZACIVSA-N 1 1 301.346 3.271 20 5 DGBDMO CC[N@H+]1CCCN(Cc2ccc(Cl)cc2[N+](=O)[O-])[C@H](C)C1 ZINC000595536176 400179624 /nfs/dbraw/zinc/17/96/24/400179624.db2.gz OFJWPEHURKOYHL-GFCCVEGCSA-N 1 1 311.813 3.164 20 5 DGBDMO COc1cccc2c1OCC[C@H]2[NH2+]Cc1csc([N+](=O)[O-])c1 ZINC000609599126 400179958 /nfs/dbraw/zinc/17/99/58/400179958.db2.gz UJDJRBLINAJXBM-GFCCVEGCSA-N 1 1 320.370 3.278 20 5 DGBDMO C[N@@H+]1CCN(c2ccsc2[N+](=O)[O-])C[C@H]1Cc1ccccc1 ZINC000588053419 400184337 /nfs/dbraw/zinc/18/43/37/400184337.db2.gz PQRKNLSNXXOSQZ-CQSZACIVSA-N 1 1 317.414 3.019 20 5 DGBDMO C[N@H+]1CCN(c2ccsc2[N+](=O)[O-])C[C@H]1Cc1ccccc1 ZINC000588053419 400184339 /nfs/dbraw/zinc/18/43/39/400184339.db2.gz PQRKNLSNXXOSQZ-CQSZACIVSA-N 1 1 317.414 3.019 20 5 DGBDMO C[N@@H+]1CCN(c2sccc2[N+](=O)[O-])C[C@@H]1Cc1ccccc1 ZINC000588053675 400184378 /nfs/dbraw/zinc/18/43/78/400184378.db2.gz UBNNRKAFRLLLQI-AWEZNQCLSA-N 1 1 317.414 3.019 20 5 DGBDMO C[N@H+]1CCN(c2sccc2[N+](=O)[O-])C[C@@H]1Cc1ccccc1 ZINC000588053675 400184381 /nfs/dbraw/zinc/18/43/81/400184381.db2.gz UBNNRKAFRLLLQI-AWEZNQCLSA-N 1 1 317.414 3.019 20 5 DGBDMO Cc1noc(C[N@@H+]2CC[C@H](Cc3ccccc3)[C@H]2C)c1[N+](=O)[O-] ZINC000595338365 400130215 /nfs/dbraw/zinc/13/02/15/400130215.db2.gz RKQNOJXUFVQLIY-UKRRQHHQSA-N 1 1 315.373 3.344 20 5 DGBDMO COc1ccc([C@H]([NH2+]Cc2onc(C)c2[N+](=O)[O-])C(C)C)cc1 ZINC000595407269 400140764 /nfs/dbraw/zinc/14/07/64/400140764.db2.gz FSUOZUNYDGEXBM-OAHLLOKOSA-N 1 1 319.361 3.387 20 5 DGBDMO CC(C)([NH2+]Cc1cc(C2CC2)no1)c1ccc([N+](=O)[O-])cc1 ZINC000595423183 400144432 /nfs/dbraw/zinc/14/44/32/400144432.db2.gz ZYGOGKJKQQZRTG-UHFFFAOYSA-N 1 1 301.346 3.485 20 5 DGBDMO COCC[C@@H]([NH2+]Cc1ccc(F)cc1[N+](=O)[O-])c1ccco1 ZINC000595433524 400150167 /nfs/dbraw/zinc/15/01/67/400150167.db2.gz XGSASBKZERLJKF-CYBMUJFWSA-N 1 1 308.309 3.194 20 5 DGBDMO CCC[N@H+]1CC[C@H](CNc2ccc([N+](=O)[O-])c3cccnc23)C1 ZINC000092621884 400187107 /nfs/dbraw/zinc/18/71/07/400187107.db2.gz RHGIJBUZJDXIJG-CYBMUJFWSA-N 1 1 314.389 3.287 20 5 DGBDMO CN(C)c1cccc(C[N@@H+](C)CCc2ccccc2[N+](=O)[O-])c1 ZINC000586773391 400153361 /nfs/dbraw/zinc/15/33/61/400153361.db2.gz MRZKMOQUPWJBNP-UHFFFAOYSA-N 1 1 313.401 3.335 20 5 DGBDMO C[C@H](C(=O)Nc1ccccc1[N+](=O)[O-])[NH+]1CCC2(CCC2)CC1 ZINC000586783005 400154578 /nfs/dbraw/zinc/15/45/78/400154578.db2.gz IJTZBICEGDBYOW-CYBMUJFWSA-N 1 1 317.389 3.188 20 5 DGBDMO CC[C@H](C)[N@@H+](C)CCNc1ccc([N+](=O)[O-])c2cccnc12 ZINC000092642884 400187955 /nfs/dbraw/zinc/18/79/55/400187955.db2.gz HNWMVBUIKPIWLM-LBPRGKRZSA-N 1 1 302.378 3.285 20 5 DGBDMO CC[N@@H+](CCNc1ccc([N+](=O)[O-])c(OC(F)F)c1)C(C)C ZINC000092641831 400188046 /nfs/dbraw/zinc/18/80/46/400188046.db2.gz WDTMRYNWFCWOHX-UHFFFAOYSA-N 1 1 317.336 3.338 20 5 DGBDMO CC(C)[N@H+]1CC[C@H](CNc2ccc3ncccc3c2[N+](=O)[O-])C1 ZINC000320414492 400165655 /nfs/dbraw/zinc/16/56/55/400165655.db2.gz YDSSSIAOBFZDND-CYBMUJFWSA-N 1 1 314.389 3.285 20 5 DGBDMO CCC[C@@]1(CO)CCN(c2cc[nH+]c3ccc([N+](=O)[O-])cc32)C1 ZINC000601167101 400255268 /nfs/dbraw/zinc/25/52/68/400255268.db2.gz XLHOTVWXRGSLSW-QGZVFWFLSA-N 1 1 315.373 3.132 20 5 DGBDMO O=[N+]([O-])c1ccn(CC[N@@H+]2CC3(CCCC3)[C@@H]2c2ccco2)n1 ZINC000595675621 400224243 /nfs/dbraw/zinc/22/42/43/400224243.db2.gz NOPNNSWUCUDIGG-HNNXBMFYSA-N 1 1 316.361 3.002 20 5 DGBDMO O=[N+]([O-])c1ccn(CC[N@H+]2CC3(CCCC3)[C@@H]2c2ccco2)n1 ZINC000595675621 400224246 /nfs/dbraw/zinc/22/42/46/400224246.db2.gz NOPNNSWUCUDIGG-HNNXBMFYSA-N 1 1 316.361 3.002 20 5 DGBDMO C[C@@H]1CCC[N@@H+](Cc2ccc(Cl)cc2[N+](=O)[O-])[C@H]1CCO ZINC000595706028 400237163 /nfs/dbraw/zinc/23/71/63/400237163.db2.gz WRGKYURGEMBWAT-RISCZKNCSA-N 1 1 312.797 3.231 20 5 DGBDMO CO[C@]1(C)CCCN(c2cc[nH+]c3ccc([N+](=O)[O-])cc32)C1 ZINC000601155963 400251354 /nfs/dbraw/zinc/25/13/54/400251354.db2.gz ITBNJVUHASDLSR-MRXNPFEDSA-N 1 1 301.346 3.148 20 5 DGBDMO CC[C@H](C)[N@@H+](CC)CCC(=O)Nc1ccc(OC)cc1[N+](=O)[O-] ZINC000595599454 400199236 /nfs/dbraw/zinc/19/92/36/400199236.db2.gz LWHNDKZOMWQFFR-LBPRGKRZSA-N 1 1 323.393 3.052 20 5 DGBDMO Cc1cccc([N+](=O)[O-])c1NC(=O)C[NH+]1C2CCCC1CCC2 ZINC000610394971 400254227 /nfs/dbraw/zinc/25/42/27/400254227.db2.gz FBFWRCCZFZIWRI-UHFFFAOYSA-N 1 1 317.389 3.249 20 5 DGBDMO O=[N+]([O-])c1ccc(-c2ccc(C[N@@H+]3CC[C@H](CO)C3)s2)cc1 ZINC000092763328 400202958 /nfs/dbraw/zinc/20/29/58/400202958.db2.gz BSYAGTYDVUCNPF-LBPRGKRZSA-N 1 1 318.398 3.138 20 5 DGBDMO CC(C)[C@H]1CN(c2cc[nH+]c3ccc([N+](=O)[O-])cc32)CCCO1 ZINC000601170265 400255087 /nfs/dbraw/zinc/25/50/87/400255087.db2.gz ZNPQEGJCRLRXKE-QGZVFWFLSA-N 1 1 315.373 3.394 20 5 DGBDMO C[C@H]1COC2(CCCC2)C[N@H+]1CCc1ccc([N+](=O)[O-])cc1 ZINC000595814792 400267941 /nfs/dbraw/zinc/26/79/41/400267941.db2.gz JAARYUDNXBQBQT-AWEZNQCLSA-N 1 1 304.390 3.171 20 5 DGBDMO Cc1cccc(C[N@H+]2CC[C@@H](Nc3ncc([N+](=O)[O-])s3)C2)c1 ZINC000601239457 400271732 /nfs/dbraw/zinc/27/17/32/400271732.db2.gz LDFADUYFICMQCM-CYBMUJFWSA-N 1 1 318.402 3.046 20 5 DGBDMO O=[N+]([O-])c1cc(C[N@@H+]2CC[C@@H](Oc3ccccc3)C2)cs1 ZINC000595832406 400274225 /nfs/dbraw/zinc/27/42/25/400274225.db2.gz PTNPPAKJWYPDEM-CQSZACIVSA-N 1 1 304.371 3.310 20 5 DGBDMO O=[N+]([O-])c1cc(C[N@H+]2CC[C@@H](Oc3ccccc3)C2)cs1 ZINC000595832406 400274228 /nfs/dbraw/zinc/27/42/28/400274228.db2.gz PTNPPAKJWYPDEM-CQSZACIVSA-N 1 1 304.371 3.310 20 5 DGBDMO C[N@H+](Cc1ccc(-c2cccc([N+](=O)[O-])c2)o1)C[C@@H](O)C1CC1 ZINC000589198261 400275324 /nfs/dbraw/zinc/27/53/24/400275324.db2.gz XLOAQHGOHVBFDG-MRXNPFEDSA-N 1 1 316.357 3.058 20 5 DGBDMO Cc1noc(C[N@@H+](C)C[C@H]2CCc3ccccc32)c1[N+](=O)[O-] ZINC000595881511 400286439 /nfs/dbraw/zinc/28/64/39/400286439.db2.gz SYRIIMFZSDVYQR-CYBMUJFWSA-N 1 1 301.346 3.053 20 5 DGBDMO Cc1ncc([N+](=O)[O-])n1CC[N@H+](C)[C@H]1CCCc2ccccc21 ZINC000610665218 400286876 /nfs/dbraw/zinc/28/68/76/400286876.db2.gz MFVMXOWZBCBSLI-INIZCTEOSA-N 1 1 314.389 3.109 20 5 DGBDMO CCC[C@@H](C)[N@@H+](C)CC(=O)Nc1ccc([N+](=O)[O-])cc1Cl ZINC000030269448 400323306 /nfs/dbraw/zinc/32/33/06/400323306.db2.gz JLODBIDXYANACH-SNVBAGLBSA-N 1 1 313.785 3.307 20 5 DGBDMO Cc1c(NC(=O)[C@H](C)[N@@H+](C)C[C@@H]2CC2(C)C)cccc1[N+](=O)[O-] ZINC000595910854 400292565 /nfs/dbraw/zinc/29/25/65/400292565.db2.gz SWSVVQPSUUGWIU-STQMWFEESA-N 1 1 319.405 3.208 20 5 DGBDMO CCCC[C@H](C)[N@@H+](C)Cc1cc2c(cc1[N+](=O)[O-])OCCO2 ZINC000589521553 400304333 /nfs/dbraw/zinc/30/43/33/400304333.db2.gz FVMHXEQPDCSNCN-LBPRGKRZSA-N 1 1 308.378 3.377 20 5 DGBDMO C[C@@H](NC[C@H]1CCC[N@@H+](CC2CC2)C1)c1cccc([N+](=O)[O-])c1 ZINC000596094294 400315724 /nfs/dbraw/zinc/31/57/24/400315724.db2.gz JRYFJXFPWMMJBU-GDBMZVCRSA-N 1 1 317.433 3.367 20 5 DGBDMO CC(C)Oc1ccc([N+](=O)[O-])cc1C[N@H+]1CCCC[C@@H]1CCO ZINC000069249794 400319351 /nfs/dbraw/zinc/31/93/51/400319351.db2.gz NITLFOMRUSZKHJ-OAHLLOKOSA-N 1 1 322.405 3.119 20 5 DGBDMO COc1cc(NC[C@@H](C)[N@@H+](C)C2CC2)c(Cl)cc1[N+](=O)[O-] ZINC000596111041 400320038 /nfs/dbraw/zinc/32/00/38/400320038.db2.gz VNERMTOWAXXUDT-SECBINFHSA-N 1 1 313.785 3.151 20 5 DGBDMO CC(C)[C@@H](C)[N@@H+](C)CC(=O)Nc1ccc([N+](=O)[O-])cc1Cl ZINC000030148661 400321313 /nfs/dbraw/zinc/32/13/13/400321313.db2.gz SLKWBQRFYSHRFS-SNVBAGLBSA-N 1 1 313.785 3.163 20 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400365609 /nfs/dbraw/zinc/36/56/09/400365609.db2.gz WRJZNTSRBGOABT-CQSZACIVSA-N 1 1 320.389 3.377 20 5 DGBDMO C[C@@H]1CCC[C@@H]([N@@H+](C)Cc2cc3c(cc2[N+](=O)[O-])OCCO3)C1 ZINC000611254217 400365653 /nfs/dbraw/zinc/36/56/53/400365653.db2.gz UDAJLSHOURVWII-TZMCWYRMSA-N 1 1 320.389 3.377 20 5 DGBDMO C[C@H]1COCCC[N@H+]1Cc1ccc(-c2ccc([N+](=O)[O-])cc2)o1 ZINC000611272401 400370794 /nfs/dbraw/zinc/37/07/94/400370794.db2.gz GZJPNKAXBNMJPU-ZDUSSCGKSA-N 1 1 316.357 3.466 20 5 DGBDMO CC(C)(C)[N@H+]1CC[C@H](CNc2ncc([N+](=O)[O-])cc2Cl)C1 ZINC000596306955 400375677 /nfs/dbraw/zinc/37/56/77/400375677.db2.gz KALWQCUWHXOZJJ-SNVBAGLBSA-N 1 1 312.801 3.176 20 5 DGBDMO CC(C)(C)[N@H+]1CC[C@@H](CNc2ncc([N+](=O)[O-])cc2Cl)C1 ZINC000596306954 400375716 /nfs/dbraw/zinc/37/57/16/400375716.db2.gz KALWQCUWHXOZJJ-JTQLQIEISA-N 1 1 312.801 3.176 20 5 DGBDMO Cc1cc(C)c([N+](=O)[O-])c(NC[C@H]2CC[N@H+](C(C)(C)C)C2)n1 ZINC000596308363 400376082 /nfs/dbraw/zinc/37/60/82/400376082.db2.gz RGWMCNUPVJRJMU-CYBMUJFWSA-N 1 1 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C[C@@H]1OCC[C@@H]1C[N@H+]1CCC[C@H](c2ccc([N+](=O)[O-])cc2)C1 ZINC000602839654 400588068 /nfs/dbraw/zinc/58/80/68/400588068.db2.gz IAYBFKWHQWFAIL-IMJJTQAJSA-N 1 1 304.390 3.199 20 5 DGBDMO Cc1cc([N+](=O)[O-])ccc1C[N@H+]1CCOC(C2CC2)(C2CC2)C1 ZINC000597225277 400592111 /nfs/dbraw/zinc/59/21/11/400592111.db2.gz ALEHSPORIBCVBL-UHFFFAOYSA-N 1 1 316.401 3.294 20 5 DGBDMO CC(C)c1ccc(C[N@H+]2C[C@H](C)[C@@](C)(CO)C2)cc1[N+](=O)[O-] ZINC000597235217 400595433 /nfs/dbraw/zinc/59/54/33/400595433.db2.gz GGYBJHGGODDZDJ-SUMWQHHRSA-N 1 1 306.406 3.169 20 5 DGBDMO O=[N+]([O-])c1ccc(N[C@@H]2CC[N@H+]3CCCC[C@H]23)c2ccncc21 ZINC000047272597 400608902 /nfs/dbraw/zinc/60/89/02/400608902.db2.gz LWJOJYPMVIWPMA-NVXWUHKLSA-N 1 1 312.373 3.182 20 5 DGBDMO O=[N+]([O-])c1ccc(NCC[N@@H+]2CCc3sccc3C2)s1 ZINC000048999899 400662002 /nfs/dbraw/zinc/66/20/02/400662002.db2.gz AQERMAMHHKGUPO-UHFFFAOYSA-N 1 1 309.416 3.188 20 5 DGBDMO O=[N+]([O-])c1ccc(NCC[N@H+]2CCc3sccc3C2)s1 ZINC000048999899 400662007 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O=[N+]([O-])c1ccc(NCC[N@@H+]2CCc3sccc3C2)c(F)c1 ZINC000053580041 400792098 /nfs/dbraw/zinc/79/20/98/400792098.db2.gz NTGPKHRQIYOOBM-UHFFFAOYSA-N 1 1 321.377 3.266 20 5 DGBDMO O=[N+]([O-])c1ccc(NCC[N@H+]2CCc3sccc3C2)c(F)c1 ZINC000053580041 400792103 /nfs/dbraw/zinc/79/21/03/400792103.db2.gz NTGPKHRQIYOOBM-UHFFFAOYSA-N 1 1 321.377 3.266 20 5 DGBDMO Cc1c(NC(=O)CC[N@@H+]2CCCC[C@@H]2C)cccc1[N+](=O)[O-] ZINC000053898845 400801464 /nfs/dbraw/zinc/80/14/64/400801464.db2.gz OLMZBSDKEWZQOV-LBPRGKRZSA-N 1 1 305.378 3.106 20 5 DGBDMO CCOc1cncc(C[N@@H+](C)CCc2cccc([N+](=O)[O-])c2)c1 ZINC000598672388 400853550 /nfs/dbraw/zinc/85/35/50/400853550.db2.gz PCCMUJNLVZUCFN-UHFFFAOYSA-N 1 1 315.373 3.063 20 5 DGBDMO O=[N+]([O-])c1ccc2[nH]c(C[N@H+]3CCC[C@@H]4CCC[C@H]43)nc2c1 ZINC000614261518 400866421 /nfs/dbraw/zinc/86/64/21/400866421.db2.gz HXLUVZRXEZGKNV-XHDPSFHLSA-N 1 1 300.362 3.236 20 5 DGBDMO O=[N+]([O-])c1cccc(F)c1C[N@H+]1CC[C@H](c2ccncc2)C1 ZINC000593989817 400937274 /nfs/dbraw/zinc/93/72/74/400937274.db2.gz XAAJZDKTEMDJQA-ZDUSSCGKSA-N 1 1 301.321 3.118 20 5 DGBDMO C[N@H+]1CCCC[C@H](C[NH2+][C@@H]2CCCc3ccc([N+](=O)[O-])cc32)C1 ZINC000599069586 400948610 /nfs/dbraw/zinc/94/86/10/400948610.db2.gz HVZXIUGSXDYSBC-RDTXWAMCSA-N 1 1 317.433 3.294 20 5 DGBDMO C[N@@H+]1CCCC[C@H](CN[C@@H]2CCCc3ccc([N+](=O)[O-])cc32)C1 ZINC000599069586 400948621 /nfs/dbraw/zinc/94/86/21/400948621.db2.gz HVZXIUGSXDYSBC-RDTXWAMCSA-N 1 1 317.433 3.294 20 5 DGBDMO C[N@H+]1CCCC[C@H](CN[C@@H]2CCCc3ccc([N+](=O)[O-])cc32)C1 ZINC000599069586 400948627 /nfs/dbraw/zinc/94/86/27/400948627.db2.gz HVZXIUGSXDYSBC-RDTXWAMCSA-N 1 1 317.433 3.294 20 5 DGBDMO Cc1c([C@H](C)[NH2+]C[C@H]2CCCC[N@@H+](C)C2)cccc1[N+](=O)[O-] ZINC000599069300 400948990 /nfs/dbraw/zinc/94/89/90/400948990.db2.gz FKLKHOIQPPOHJZ-LSDHHAIUSA-N 1 1 305.422 3.286 20 5 DGBDMO Cc1c([C@H](C)NC[C@H]2CCCC[N@H+](C)C2)cccc1[N+](=O)[O-] ZINC000599069300 400948997 /nfs/dbraw/zinc/94/89/97/400948997.db2.gz FKLKHOIQPPOHJZ-LSDHHAIUSA-N 1 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ZINC000598965666 400914873 /nfs/dbraw/zinc/91/48/73/400914873.db2.gz OIMKDHOYCBBUOU-HIFRSBDPSA-N 1 1 305.422 3.427 20 5 DGBDMO Cc1ccc([C@@H](C)[NH2+][C@H]2CCN(C)C(C)(C)C2)cc1[N+](=O)[O-] ZINC000598965666 400914882 /nfs/dbraw/zinc/91/48/82/400914882.db2.gz OIMKDHOYCBBUOU-HIFRSBDPSA-N 1 1 305.422 3.427 20 5 DGBDMO O=[N+]([O-])c1ccccc1CNC[C@H]1CC[N@H+]1C1CCCCC1 ZINC000598991992 400923181 /nfs/dbraw/zinc/92/31/81/400923181.db2.gz IDBWHPGNAIMOHT-MRXNPFEDSA-N 1 1 303.406 3.091 20 5 DGBDMO O=[N+]([O-])c1ccccc1C[NH2+]C[C@H]1CCN1C1CCCCC1 ZINC000598991992 400923184 /nfs/dbraw/zinc/92/31/84/400923184.db2.gz IDBWHPGNAIMOHT-MRXNPFEDSA-N 1 1 303.406 3.091 20 5 DGBDMO O=[N+]([O-])c1cc(CNC[C@H]2CC[N@H+]2C2CCCCC2)cs1 ZINC000598992419 400923502 /nfs/dbraw/zinc/92/35/02/400923502.db2.gz NHTZTRIWBHUPGN-CQSZACIVSA-N 1 1 309.435 3.153 20 5 DGBDMO O=[N+]([O-])c1cc(C[NH2+]C[C@H]2CCN2C2CCCCC2)cs1 ZINC000598992419 400923504 /nfs/dbraw/zinc/92/35/04/400923504.db2.gz NHTZTRIWBHUPGN-CQSZACIVSA-N 1 1 309.435 3.153 20 5 DGBDMO O=[N+]([O-])c1ccc(CNC[C@@H]2CC[N@@H+]2C2CCCCC2)cc1 ZINC000598993054 400923542 /nfs/dbraw/zinc/92/35/42/400923542.db2.gz QASFQOHUTHVJJH-KRWDZBQOSA-N 1 1 303.406 3.091 20 5 DGBDMO O=[N+]([O-])c1ccc(CNC[C@@H]2CC[N@H+]2C2CCCCC2)cc1 ZINC000598993054 400923545 /nfs/dbraw/zinc/92/35/45/400923545.db2.gz QASFQOHUTHVJJH-KRWDZBQOSA-N 1 1 303.406 3.091 20 5 DGBDMO CC(C)[N@@H+](C)CCCNc1ccc2cnccc2c1[N+](=O)[O-] ZINC000599021112 400928156 /nfs/dbraw/zinc/92/81/56/400928156.db2.gz DNCRKZISRRNVIZ-UHFFFAOYSA-N 1 1 302.378 3.285 20 5 DGBDMO C[C@H](CNc1ccc2cnccc2c1[N+](=O)[O-])[N@@H+](C)C1CC1 ZINC000599039610 400934341 /nfs/dbraw/zinc/93/43/41/400934341.db2.gz BWEDFWMFAKFSIG-LLVKDONJSA-N 1 1 300.362 3.038 20 5 DGBDMO CC(C)(C)[N@H+]1CC[C@H]1CNc1ccc2cnccc2c1[N+](=O)[O-] ZINC000599099004 400960589 /nfs/dbraw/zinc/96/05/89/400960589.db2.gz QQDNERAXIMHCAQ-ZDUSSCGKSA-N 1 1 314.389 3.428 20 5 DGBDMO COc1ccc(C[NH+]2C[C@@H](C)C(F)(F)[C@H](C)C2)cc1[N+](=O)[O-] ZINC000599511868 401062324 /nfs/dbraw/zinc/06/23/24/401062324.db2.gz CNJFVTMOEXGXMD-GHMZBOCLSA-N 1 1 314.332 3.327 20 5 DGBDMO COc1ccc(C[N@H+]2C[C@@H](C)C(F)(F)[C@@H](C)C2)cc1[N+](=O)[O-] ZINC000599511869 401062480 /nfs/dbraw/zinc/06/24/80/401062480.db2.gz CNJFVTMOEXGXMD-PHIMTYICSA-N 1 1 314.332 3.327 20 5 DGBDMO COc1ccc(C[N@@H+]2C[C@@H](C)C(F)(F)[C@@H](C)C2)cc1[N+](=O)[O-] ZINC000599511869 401062484 /nfs/dbraw/zinc/06/24/84/401062484.db2.gz CNJFVTMOEXGXMD-PHIMTYICSA-N 1 1 314.332 3.327 20 5 DGBDMO CC(C)c1cc(C[NH2+][C@H]2CCc3c2cccc3[N+](=O)[O-])on1 ZINC000594494384 401079768 /nfs/dbraw/zinc/07/97/68/401079768.db2.gz ABQFRKDJFWJHLI-AWEZNQCLSA-N 1 1 301.346 3.483 20 5 DGBDMO CCO[C@@H](C[N@@H+](Cc1ccccc1[N+](=O)[O-])C1CC1)C1CC1 ZINC000599333875 401024678 /nfs/dbraw/zinc/02/46/78/401024678.db2.gz AZUYBCWSJPBXSS-KRWDZBQOSA-N 1 1 304.390 3.374 20 5 DGBDMO COC(=O)c1ccc([N+](=O)[O-])c(C[N@H+]2CCCC3(CC3)CC2)c1 ZINC000599672050 401108714 /nfs/dbraw/zinc/10/87/14/401108714.db2.gz ABEBWUJWFISXIY-UHFFFAOYSA-N 1 1 318.373 3.148 20 5 DGBDMO C[C@]12CCCC[C@H]1C[N@H+]2Cc1cc([N+](=O)[O-])cc2c1OCOC2 ZINC000599675150 401110386 /nfs/dbraw/zinc/11/03/86/401110386.db2.gz PDCBOMDEXYGQDU-YOEHRIQHSA-N 1 1 318.373 3.226 20 5 DGBDMO C[C@H]1SCC[N@H+](Cc2nc3cc([N+](=O)[O-])ccc3o2)[C@@H]1C ZINC000083199065 401114783 /nfs/dbraw/zinc/11/47/83/401114783.db2.gz BBIVWTMZYNGVEN-NXEZZACHSA-N 1 1 307.375 3.062 20 5 DGBDMO C[C@H]1SCC[N@@H+](Cc2nc3cc([N+](=O)[O-])ccc3o2)[C@@H]1C ZINC000083199065 401114786 /nfs/dbraw/zinc/11/47/86/401114786.db2.gz BBIVWTMZYNGVEN-NXEZZACHSA-N 1 1 307.375 3.062 20 5 DGBDMO C/C=C/C[C@H]1CCC[N@H+](CC(=O)Nc2ccccc2[N+](=O)[O-])C1 ZINC000599688360 401117029 /nfs/dbraw/zinc/11/70/29/401117029.db2.gz DFQUSHYGTWIRML-HSWBROFVSA-N 1 1 317.389 3.212 20 5 DGBDMO C/C=C/C[C@H]1CCC[N@@H+](CC(=O)Nc2ccccc2[N+](=O)[O-])C1 ZINC000599688360 401117032 /nfs/dbraw/zinc/11/70/32/401117032.db2.gz DFQUSHYGTWIRML-HSWBROFVSA-N 1 1 317.389 3.212 20 5 DGBDMO COCc1cc([N+](=O)[O-])ccc1N[C@@H]1CCC[N@H+]2CCCC[C@H]12 ZINC000594603336 401127471 /nfs/dbraw/zinc/12/74/71/401127471.db2.gz UHZGFPZGZAXXFB-IAGOWNOFSA-N 1 1 319.405 3.170 20 5 DGBDMO COc1ccc(C[N@@H+]2CCC(F)(F)C[C@H]2C)cc1[N+](=O)[O-] ZINC000599622667 401094301 /nfs/dbraw/zinc/09/43/01/401094301.db2.gz MFSUCNVATVWABW-SNVBAGLBSA-N 1 1 300.305 3.223 20 5 DGBDMO COc1ccc(C[N@H+]2CCC(F)(F)C[C@H]2C)cc1[N+](=O)[O-] ZINC000599622667 401094306 /nfs/dbraw/zinc/09/43/06/401094306.db2.gz MFSUCNVATVWABW-SNVBAGLBSA-N 1 1 300.305 3.223 20 5 DGBDMO Cc1ccc(C[N@H+]2CCC[C@@H]2[C@@H]2CCCC[C@@H]2O)cc1[N+](=O)[O-] ZINC000281424383 401153764 /nfs/dbraw/zinc/15/37/64/401153764.db2.gz ZCIARNOGCKWANP-JZXOWHBKSA-N 1 1 318.417 3.419 20 5 DGBDMO C/C(=C/c1cccc([N+](=O)[O-])c1)C[N@H+]1CCC[C@H](CCO)C1 ZINC000615835322 401161375 /nfs/dbraw/zinc/16/13/75/401161375.db2.gz IWEBOUKARWVKDI-BAAYTWLHSA-N 1 1 304.390 3.093 20 5 DGBDMO Cc1cccc(C[N@H+](CCn2ccc([N+](=O)[O-])n2)CC(C)C)c1 ZINC000358265044 286015000 /nfs/dbraw/zinc/01/50/00/286015000.db2.gz JSLONSMMSMHLCN-UHFFFAOYSA-N 1 1 316.405 3.258 20 5 DGBDMO CC(C)[C@@H]1CCC[N@H+]1Cc1cc([N+](=O)[O-])cc2c1OCOC2 ZINC000063618429 401203162 /nfs/dbraw/zinc/20/31/62/401203162.db2.gz MUUHWRMXEILZGX-HNNXBMFYSA-N 1 1 306.362 3.082 20 5 DGBDMO Cc1c[nH]c(C[N@@H+]2CCC[C@@H](c3ccc([N+](=O)[O-])cc3)C2)n1 ZINC000600169436 401206963 /nfs/dbraw/zinc/20/69/63/401206963.db2.gz STWGXTLSGSDGLQ-CQSZACIVSA-N 1 1 300.362 3.006 20 5 DGBDMO Cc1c[nH]c(C[N@H+]2CCC[C@@H](c3ccc([N+](=O)[O-])cc3)C2)n1 ZINC000600169436 401206969 /nfs/dbraw/zinc/20/69/69/401206969.db2.gz STWGXTLSGSDGLQ-CQSZACIVSA-N 1 1 300.362 3.006 20 5 DGBDMO O=[N+]([O-])c1cc(CN[C@H]2CC[N@H+](C3CCCCC3)C2)cs1 ZINC000594977977 401216100 /nfs/dbraw/zinc/21/61/00/401216100.db2.gz OVVZBTZQTNKRLC-ZDUSSCGKSA-N 1 1 309.435 3.153 20 5 DGBDMO C[C@H](C[NH+]1CCC(C)CC1)NC/C=C/c1ccccc1[N+](=O)[O-] ZINC000594978895 401217715 /nfs/dbraw/zinc/21/77/15/401217715.db2.gz CTMUMJWCZJQZMK-BIENSFFJSA-N 1 1 317.433 3.318 20 5 DGBDMO CCC(O)(CC)C[N@@H+](C)C/C(C)=C\c1cccc([N+](=O)[O-])c1 ZINC000600215428 401226040 /nfs/dbraw/zinc/22/60/40/401226040.db2.gz KXJKOGJUGZFBPP-UVTDQMKNSA-N 1 1 306.406 3.481 20 5 DGBDMO O=[N+]([O-])c1sccc1N1CC[NH+](CCc2ccccc2)CC1 ZINC000063256955 401184605 /nfs/dbraw/zinc/18/46/05/401184605.db2.gz SSWSVULECFMEHY-UHFFFAOYSA-N 1 1 317.414 3.021 20 5 DGBDMO COc1cc([N+](=O)[O-])ccc1[C@@H](C)[NH2+]C[C@@H](CC(C)C)N(C)C ZINC000595005949 401227169 /nfs/dbraw/zinc/22/71/69/401227169.db2.gz CBTRJONRLKXPOU-UKRRQHHQSA-N 1 1 323.437 3.230 20 5 DGBDMO Cc1ccc([N+](=O)[O-])cc1[C@@H](C)N1CC[N@@H+](C)[C@H](C(C)C)C1 ZINC000487989654 292295377 /nfs/dbraw/zinc/29/53/77/292295377.db2.gz AMOQDTFOLZKSST-PBHICJAKSA-N 1 1 305.422 3.236 20 5 DGBDMO Cc1ccc([N+](=O)[O-])cc1[C@@H](C)[N@H+]1CCC[C@H](C2OCCO2)C1 ZINC000182742524 292295488 /nfs/dbraw/zinc/29/54/88/292295488.db2.gz OMSYZPRYGWWXFO-KGLIPLIRSA-N 1 1 320.389 3.049 20 5 DGBDMO Cc1ccc([N+](=O)[O-])cc1[C@H](C)N1CC[C@@H]2[C@@H](CCC[N@H+]2C)C1 ZINC000245535333 292296636 /nfs/dbraw/zinc/29/66/36/292296636.db2.gz WMBOBBCCUBPZRN-RLFYNMQTSA-N 1 1 317.433 3.380 20 5 DGBDMO Cc1ccc([N+](=O)[O-])cc1[C@H](C)[N@H+]1C[C@@H]2CC[C@H](O)C[C@H]2C1 ZINC000332198031 292296969 /nfs/dbraw/zinc/29/69/69/292296969.db2.gz HOEBVSRXNFYQJE-YXWQFLTLSA-N 1 1 304.390 3.057 20 5 DGBDMO O=[N+]([O-])c1cnc(N[C@H]2CCC[N@@H+](Cc3ccccc3)C2)s1 ZINC000189687531 165172747 /nfs/dbraw/zinc/17/27/47/165172747.db2.gz ALYXDXKPKPUPKH-ZDUSSCGKSA-N 1 1 318.402 3.128 20 5 DGBDMO CCCc1[nH+]ccn1CC(=O)Nc1cc([N+](=O)[O-])ccc1Cl ZINC000269271129 432156139 /nfs/dbraw/zinc/15/61/39/432156139.db2.gz DKFBQAVHMYBGIF-UHFFFAOYSA-N 1 1 322.752 3.036 20 5 DGBDMO O=[N+]([O-])c1cc(C[N@H+]2CC[C@@H]3OCCC[C@H]3C2)ccc1Cl ZINC000246765041 432162567 /nfs/dbraw/zinc/16/25/67/432162567.db2.gz QEXDYCXNUHICPV-WFASDCNBSA-N 1 1 310.781 3.249 20 5 DGBDMO CC(C)CO[C@H]1CC[N@H+](Cc2ccc([N+](=O)[O-])cc2Cl)C1 ZINC000182231883 432168823 /nfs/dbraw/zinc/16/88/23/432168823.db2.gz POHTXEPSVATNIN-AWEZNQCLSA-N 1 1 312.797 3.495 20 5 DGBDMO CC(C)CO[C@H]1CC[N@@H+](Cc2ccc([N+](=O)[O-])cc2Cl)C1 ZINC000182231883 432168827 /nfs/dbraw/zinc/16/88/27/432168827.db2.gz POHTXEPSVATNIN-AWEZNQCLSA-N 1 1 312.797 3.495 20 5 DGBDMO CC[C@H](C)C[N@@H+](C)[C@@H](C)C(=O)Nc1cccc([N+](=O)[O-])c1C ZINC000171950215 432185266 /nfs/dbraw/zinc/18/52/66/432185266.db2.gz DDPWYODPGUHJKP-AAEUAGOBSA-N 1 1 307.394 3.208 20 5 DGBDMO O=[N+]([O-])c1cccc(CN2CC[C@H]3[C@@H](CCC[N@H+]3C3CC3)C2)c1 ZINC000246979644 432187189 /nfs/dbraw/zinc/18/71/89/432187189.db2.gz VWFMVXIRXDYJLF-YJBOKZPZSA-N 1 1 315.417 3.044 20 5 DGBDMO Cc1ccc(C[N@@H+](C)C[C@H](O)c2cccc([N+](=O)[O-])c2)s1 ZINC000269655554 432193143 /nfs/dbraw/zinc/19/31/43/432193143.db2.gz OLIRQIWBRUDHLV-HNNXBMFYSA-N 1 1 306.387 3.130 20 5 DGBDMO CC(C)(C)[N@@H+](CCn1cc([N+](=O)[O-])cn1)Cc1ccccc1 ZINC000130505401 196086213 /nfs/dbraw/zinc/08/62/13/196086213.db2.gz RETMDBWUTTXYFH-UHFFFAOYSA-N 1 1 302.378 3.092 20 5 DGBDMO C[C@@H](NC[C@H](C)[N@@H+]1CCC[C@@H](C)C1)c1ccc([N+](=O)[O-])cc1 ZINC000247195828 432210858 /nfs/dbraw/zinc/21/08/58/432210858.db2.gz VZJNBZBRPMORJD-QLFBSQMISA-N 1 1 305.422 3.366 20 5 DGBDMO C[C@@H](NC[C@H](C)[N@H+]1CCC[C@@H](C)C1)c1ccc([N+](=O)[O-])cc1 ZINC000247195828 432210860 /nfs/dbraw/zinc/21/08/60/432210860.db2.gz VZJNBZBRPMORJD-QLFBSQMISA-N 1 1 305.422 3.366 20 5 DGBDMO C[C@H]1CCC[C@@H]([N@@H+](C)CC(=O)Nc2ccccc2[N+](=O)[O-])C1 ZINC000026468011 226794813 /nfs/dbraw/zinc/79/48/13/226794813.db2.gz LGXYSLZWAKHOQK-QWHCGFSZSA-N 1 1 305.378 3.044 20 5 DGBDMO C[C@@H](c1nnc(-c2ccc([N+](=O)[O-])cc2)o1)[N@H+]1CC[C@@H](C)C1 ZINC000299666193 229315434 /nfs/dbraw/zinc/31/54/34/229315434.db2.gz RFWHXCPHCCOGRC-MNOVXSKESA-N 1 1 302.334 3.048 20 5 DGBDMO O=[N+]([O-])c1ccsc1NCC[N@@H+]1CCc2sccc2C1 ZINC000301994869 230025651 /nfs/dbraw/zinc/02/56/51/230025651.db2.gz PAQGMYBWUJIZAM-UHFFFAOYSA-N 1 1 309.416 3.188 20 5 DGBDMO O=[N+]([O-])c1ccsc1NCC[N@H+]1CCc2sccc2C1 ZINC000301994869 230025653 /nfs/dbraw/zinc/02/56/53/230025653.db2.gz PAQGMYBWUJIZAM-UHFFFAOYSA-N 1 1 309.416 3.188 20 5 DGBDMO O=[N+]([O-])c1ccc(OCC[N@H+]2CCC[C@H]2c2cccnc2)cc1 ZINC000347002102 264136966 /nfs/dbraw/zinc/13/69/66/264136966.db2.gz UJVNFFUJRILJKV-KRWDZBQOSA-N 1 1 313.357 3.206 20 5 DGBDMO Cc1ccc(C[N@H+]2CCC[C@@H]2C2CCOCC2)cc1[N+](=O)[O-] ZINC000347679666 264266543 /nfs/dbraw/zinc/26/65/43/264266543.db2.gz JRMUTILKRNJPQG-MRXNPFEDSA-N 1 1 304.390 3.294 20 5 DGBDMO Cn1ccnc1[C@@H]([NH2+][C@@H]1CCC1(C)C)c1cccc([N+](=O)[O-])c1 ZINC000348293830 264383734 /nfs/dbraw/zinc/38/37/34/264383734.db2.gz POXJCDKTFPJXSE-CABCVRRESA-N 1 1 314.389 3.196 20 5 DGBDMO C[C@H](CO)[N@@H+](C/C=C/c1ccccc1[N+](=O)[O-])CC1CCC1 ZINC000348333950 264392550 /nfs/dbraw/zinc/39/25/50/264392550.db2.gz DHSOZYMLTBRKOC-VZUFXWRPSA-N 1 1 304.390 3.091 20 5 DGBDMO CC[N@H+]1CC[C@H](N(C)Cc2ccc([N+](=O)[O-])cc2F)C[C@H]1C ZINC000352618707 265106764 /nfs/dbraw/zinc/10/67/64/265106764.db2.gz SSLXIDAWJQAHEZ-OCCSQVGLSA-N 1 1 309.385 3.039 20 5 DGBDMO C[C@H](O)C[C@H]1CCCCC[N@H+]1Cc1c(F)cccc1[N+](=O)[O-] ZINC000352872802 265210142 /nfs/dbraw/zinc/21/01/42/265210142.db2.gz FPAFTFMLJAHTCP-QWHCGFSZSA-N 1 1 310.369 3.249 20 5 DGBDMO COc1ccc([N+](=O)[O-])cc1C[N@@H+](C)C1Cc2ccccc2C1 ZINC000353307956 265382964 /nfs/dbraw/zinc/38/29/64/265382964.db2.gz MSIMBLCXBZXSGK-UHFFFAOYSA-N 1 1 312.369 3.203 20 5 DGBDMO Cc1cc(NC(=O)c2cc([N+](=O)[O-])ccc2C)cn2cc[nH+]c12 ZINC000355397918 266061823 /nfs/dbraw/zinc/06/18/23/266061823.db2.gz ATTXPJLBRKNGJA-UHFFFAOYSA-N 1 1 310.313 3.112 20 5 DGBDMO COCCO[C@H]1CCC[N@H+]([C@@H](C)c2cc([N+](=O)[O-])ccc2C)C1 ZINC000182944981 432244819 /nfs/dbraw/zinc/24/48/19/432244819.db2.gz OPKBYJLXQUHIPR-HOCLYGCPSA-N 1 1 322.405 3.092 20 5 DGBDMO C[C@@H](CN[C@H]1CCCc2ccc([N+](=O)[O-])cc21)C[NH+]1CCCC1 ZINC000192698719 274225924 /nfs/dbraw/zinc/22/59/24/274225924.db2.gz MVIXSWZQSGJTNX-KSSFIOAISA-N 1 1 317.433 3.294 20 5 DGBDMO C[C@@H]1CCC(C)(C)[N@H+]1Cc1cc([N+](=O)[O-])cc2c1OCOC2 ZINC000332026364 274284035 /nfs/dbraw/zinc/28/40/35/274284035.db2.gz UCFNJXZTLFDIJR-LLVKDONJSA-N 1 1 306.362 3.224 20 5 DGBDMO C[C@@H]1CCC[N@H+](CCN[C@H]2CCCc3ccc([N+](=O)[O-])cc32)C1 ZINC000447550421 274291089 /nfs/dbraw/zinc/29/10/89/274291089.db2.gz NAKPTNGDLQGMHO-KDOFPFPSSA-N 1 1 317.433 3.294 20 5 DGBDMO C[C@@H]1CCC[N@@H+](CCN[C@H]2CCCc3ccc([N+](=O)[O-])cc32)C1 ZINC000447550421 274291091 /nfs/dbraw/zinc/29/10/91/274291091.db2.gz NAKPTNGDLQGMHO-KDOFPFPSSA-N 1 1 317.433 3.294 20 5 DGBDMO O=[N+]([O-])c1cccc(C[N@H+](C[C@H](O)c2ccccc2)C2CC2)c1 ZINC000265458004 275039203 /nfs/dbraw/zinc/03/92/03/275039203.db2.gz YAIBWNCWBJHTEU-SFHVURJKSA-N 1 1 312.369 3.293 20 5 DGBDMO O=[N+]([O-])c1cccc2c1ccnc2N1CCC[C@@H](c2[nH]cc[nH+]2)C1 ZINC000450309559 275039586 /nfs/dbraw/zinc/03/95/86/275039586.db2.gz UJYYUCLHMZBCQN-GFCCVEGCSA-N 1 1 323.356 3.250 20 5 DGBDMO C[C@@H]1C[C@H](Nc2ccc3cc([N+](=O)[O-])ccc3n2)C[N@H+]1C1CC1 ZINC000519613321 429471649 /nfs/dbraw/zinc/47/16/49/429471649.db2.gz NLZBYLORHNYZFG-YPMHNXCESA-N 1 1 312.373 3.180 20 5 DGBDMO CC[N@@H+](CCC(=O)Nc1ccc([N+](=O)[O-])cc1)C1CCCC1 ZINC000411171803 276122064 /nfs/dbraw/zinc/12/20/64/276122064.db2.gz GFJUTLYHMBGKCC-UHFFFAOYSA-N 1 1 305.378 3.188 20 5 DGBDMO COC(=O)[C@H]1CC[N@H+]([C@@H](C)c2cc([N+](=O)[O-])ccc2C)C[C@H]1C ZINC000191809213 277396135 /nfs/dbraw/zinc/39/61/35/277396135.db2.gz KLLYXFDKUNKETO-IPYPFGDCSA-N 1 1 320.389 3.095 20 5 DGBDMO CC(C)c1ccc(C[N@H+]2CCC[C@H](CO)[C@@H]2C)cc1[N+](=O)[O-] ZINC000414592974 278035784 /nfs/dbraw/zinc/03/57/84/278035784.db2.gz ZZTNTANKYAHOFN-DZGCQCFKSA-N 1 1 306.406 3.311 20 5 DGBDMO C[C@@H](CCN(C)C)[NH2+][C@@H]1CC(C)(C)c2ccc([N+](=O)[O-])cc21 ZINC000433166117 278229214 /nfs/dbraw/zinc/22/92/14/278229214.db2.gz WWNFJNXMXHBWHS-BLLLJJGKSA-N 1 1 305.422 3.247 20 5 DGBDMO Cc1ncc(C[NH2+][C@@H]2CCCCc3ccc([N+](=O)[O-])cc32)o1 ZINC000417368923 279153493 /nfs/dbraw/zinc/15/34/93/279153493.db2.gz OZYZPISDJCQUCF-MRXNPFEDSA-N 1 1 301.346 3.449 20 5 DGBDMO CC(C)[N@@H+](CC(=O)N(C)c1ccc([N+](=O)[O-])cc1)C1CCCC1 ZINC000108365717 431136566 /nfs/dbraw/zinc/13/65/66/431136566.db2.gz BVJHJZXCLOHQHJ-UHFFFAOYSA-N 1 1 319.405 3.211 20 5 DGBDMO CCCO[C@@H]1CCC[N@@H+](CCOc2ccccc2[N+](=O)[O-])CC1 ZINC000108395952 431139457 /nfs/dbraw/zinc/13/94/57/431139457.db2.gz SAKNCQMMXZDESI-OAHLLOKOSA-N 1 1 322.405 3.255 20 5 DGBDMO C[C@H](c1nnc(-c2ccc([N+](=O)[O-])cc2)o1)[N@@H+](C)CC1CCC1 ZINC000111297998 431210214 /nfs/dbraw/zinc/21/02/14/431210214.db2.gz NBMVEKLSFXBFOH-LLVKDONJSA-N 1 1 316.361 3.438 20 5 DGBDMO COC[C@@H]1CCC[N@@H+](Cc2cc([N+](=O)[O-])ccc2OC(C)C)C1 ZINC000112987728 431318301 /nfs/dbraw/zinc/31/83/01/431318301.db2.gz ACFCXANKIIQCJB-CQSZACIVSA-N 1 1 322.405 3.240 20 5 DGBDMO CC[N@@H+](CC(=O)Nc1ccc([N+](=O)[O-])cc1C)[C@@H](C)C(C)C ZINC000072635870 431343168 /nfs/dbraw/zinc/34/31/68/431343168.db2.gz YMAUMWHSYYYFEZ-ZDUSSCGKSA-N 1 1 307.394 3.208 20 5 DGBDMO Cc1cccc([N+](=O)[O-])c1NC(=O)C[N@@H+]1CCCC[C@@H]1C(C)C ZINC000117349033 431560996 /nfs/dbraw/zinc/56/09/96/431560996.db2.gz ZSKCTUHQXDHLTR-CQSZACIVSA-N 1 1 319.405 3.352 20 5 DGBDMO O=[N+]([O-])c1cnn(CC[N@H+]2CCCCC[C@@H]2c2ccco2)c1 ZINC000174869084 280383845 /nfs/dbraw/zinc/38/38/45/280383845.db2.gz VDWCEWZXEROARW-CQSZACIVSA-N 1 1 304.350 3.002 20 5 DGBDMO Cc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@H+](C(C)C)C1CCC1 ZINC000077358723 431586911 /nfs/dbraw/zinc/58/69/11/431586911.db2.gz UWNPTDXEAVMHGQ-UHFFFAOYSA-N 1 1 319.405 3.495 20 5 DGBDMO C[C@@H](O)C[C@H]1CCCC[N@H+]1Cc1ccc([N+](=O)[O-])cc1Cl ZINC000123823572 431875341 /nfs/dbraw/zinc/87/53/41/431875341.db2.gz RCMANENCELSSPA-DGCLKSJQSA-N 1 1 312.797 3.374 20 5 DGBDMO CCC[C@H](NC[C@H]1CC[N@H+](CC)C1)c1cccc([N+](=O)[O-])c1 ZINC000124165754 431885402 /nfs/dbraw/zinc/88/54/02/431885402.db2.gz DTUQAIBMLGUGGV-PBHICJAKSA-N 1 1 305.422 3.367 20 5 DGBDMO CCC[C@H](NC[C@H]1CC[N@@H+](CC)C1)c1cccc([N+](=O)[O-])c1 ZINC000124165754 431885405 /nfs/dbraw/zinc/88/54/05/431885405.db2.gz DTUQAIBMLGUGGV-PBHICJAKSA-N 1 1 305.422 3.367 20 5 DGBDMO CC(C)CC[N@@H+](Cc1cc([N+](=O)[O-])cc2c1OCOC2)C1CC1 ZINC000045751721 431889010 /nfs/dbraw/zinc/88/90/10/431889010.db2.gz SVHVVIIPHFILBL-UHFFFAOYSA-N 1 1 320.389 3.472 20 5 DGBDMO C[C@@H](c1ccncc1)[N@@H+](C)CCOc1cccc([N+](=O)[O-])c1 ZINC000127506037 431974503 /nfs/dbraw/zinc/97/45/03/431974503.db2.gz DNJCEXZZYOTEIY-ZDUSSCGKSA-N 1 1 301.346 3.062 20 5 DGBDMO CC[C@@H](C)[N@@H+](C)CCNC(=O)Nc1c(C)ccc([N+](=O)[O-])c1C ZINC000127608764 431976541 /nfs/dbraw/zinc/97/65/41/431976541.db2.gz YHDAFQJVGQIMKD-GFCCVEGCSA-N 1 1 322.409 3.063 20 5 DGBDMO C[C@@H]1[C@H](C)OCC[N@@H+]1Cc1ccc(-c2cccc([N+](=O)[O-])c2)o1 ZINC000126541035 431951928 /nfs/dbraw/zinc/95/19/28/431951928.db2.gz KELDDNFALGDQKV-OLZOCXBDSA-N 1 1 316.357 3.464 20 5 DGBDMO C[C@@H]1[C@H](C)OCC[N@H+]1Cc1ccc(-c2cccc([N+](=O)[O-])c2)o1 ZINC000126541035 431951931 /nfs/dbraw/zinc/95/19/31/431951931.db2.gz KELDDNFALGDQKV-OLZOCXBDSA-N 1 1 316.357 3.464 20 5 DGBDMO C[C@H]1OCC[N@H+](Cc2ccc(-c3ccc([N+](=O)[O-])cc3)o2)[C@H]1C ZINC000126528055 431952334 /nfs/dbraw/zinc/95/23/34/431952334.db2.gz GWFFJRPURKOFJH-QWHCGFSZSA-N 1 1 316.357 3.464 20 5 DGBDMO C[C@H]1OCC[N@@H+](Cc2ccc(-c3ccc([N+](=O)[O-])cc3)o2)[C@H]1C ZINC000126528055 431952336 /nfs/dbraw/zinc/95/23/36/431952336.db2.gz GWFFJRPURKOFJH-QWHCGFSZSA-N 1 1 316.357 3.464 20 5 DGBDMO Cc1ccc([N+](=O)[O-])cc1[C@@H](C)N1CC[C@]2(C1)CCC[N@@H+](C)C2 ZINC000292846619 281020442 /nfs/dbraw/zinc/02/04/42/281020442.db2.gz BNPHMHWQIHRJRJ-CRAIPNDOSA-N 1 1 317.433 3.382 20 5 DGBDMO Cc1ccc([N+](=O)[O-])cc1[C@@H](C)[N@@H+]1CC[C@]2(C1)CCCN(C)C2 ZINC000292846619 281020448 /nfs/dbraw/zinc/02/04/48/281020448.db2.gz BNPHMHWQIHRJRJ-CRAIPNDOSA-N 1 1 317.433 3.382 20 5 DGBDMO Cc1ccc([N+](=O)[O-])cc1[C@@H](C)[N@H+]1CC[C@]2(C1)CCCN(C)C2 ZINC000292846619 281020453 /nfs/dbraw/zinc/02/04/53/281020453.db2.gz BNPHMHWQIHRJRJ-CRAIPNDOSA-N 1 1 317.433 3.382 20 5 DGBDMO O=[N+]([O-])c1ccc(C[N@H+]2CC[C@H](Oc3cccc(F)c3)C2)cc1 ZINC000183372850 432286735 /nfs/dbraw/zinc/28/67/35/432286735.db2.gz QKIRXUOYUMWZSJ-KRWDZBQOSA-N 1 1 316.332 3.387 20 5 DGBDMO O=[N+]([O-])c1cc(C[N@@H+]2CC[C@H](Oc3cccc(F)c3)C2)cs1 ZINC000183380511 432287963 /nfs/dbraw/zinc/28/79/63/432287963.db2.gz RVULMVCESSYUAD-AWEZNQCLSA-N 1 1 322.361 3.449 20 5 DGBDMO O=[N+]([O-])c1cc(C[N@H+]2CC[C@H](Oc3cccc(F)c3)C2)cs1 ZINC000183380511 432287969 /nfs/dbraw/zinc/28/79/69/432287969.db2.gz RVULMVCESSYUAD-AWEZNQCLSA-N 1 1 322.361 3.449 20 5 DGBDMO Cc1nccn1CCC[N@H+](C)Cc1cc(Cl)ccc1[N+](=O)[O-] ZINC000271046027 432319682 /nfs/dbraw/zinc/31/96/82/432319682.db2.gz VNOGDHMXXNMWBJ-UHFFFAOYSA-N 1 1 322.796 3.275 20 5 DGBDMO COc1ccc([N+](=O)[O-])cc1C[N@@H+](C)C[C@H](C)c1nccs1 ZINC000183919414 432334557 /nfs/dbraw/zinc/33/45/57/432334557.db2.gz XJSDUIRMIBISCF-NSHDSACASA-N 1 1 321.402 3.295 20 5 DGBDMO CC[C@@H](Cc1ccc(C)cc1)[N@@H+](C)CCn1cc([N+](=O)[O-])cn1 ZINC000174877542 432376171 /nfs/dbraw/zinc/37/61/71/432376171.db2.gz KYKZBSOCCZSXPB-INIZCTEOSA-N 1 1 316.405 3.053 20 5 DGBDMO O=[N+]([O-])c1ccc2c(c1)[C@H](NCCC[NH+]1CCCC1)CCC2 ZINC000192618776 432393369 /nfs/dbraw/zinc/39/33/69/432393369.db2.gz NKSPEGIBMPTBFG-QGZVFWFLSA-N 1 1 303.406 3.048 20 5 DGBDMO COc1ccc(CC[N@@H+](C)Cc2ccccc2[N+](=O)[O-])cc1 ZINC000192637889 432394659 /nfs/dbraw/zinc/39/46/59/432394659.db2.gz ZEIVLBQABDSICH-UHFFFAOYSA-N 1 1 300.358 3.278 20 5 DGBDMO C[C@H]1CCCC[C@@H]1[N@@H+](C)CC(=O)N(C)c1ccc([N+](=O)[O-])cc1 ZINC000192630585 432394804 /nfs/dbraw/zinc/39/48/04/432394804.db2.gz PPTHVWQXEVFNQJ-BBRMVZONSA-N 1 1 319.405 3.068 20 5 DGBDMO C[C@@H]1CCCC[C@@H]1[N@@H+](C)CC(=O)N(C)c1ccc([N+](=O)[O-])cc1 ZINC000192630572 432394871 /nfs/dbraw/zinc/39/48/71/432394871.db2.gz PPTHVWQXEVFNQJ-CJNGLKHVSA-N 1 1 319.405 3.068 20 5 DGBDMO CC[C@@H]1CC[C@H](C)[N@H+]1Cc1nnc(-c2ccc([N+](=O)[O-])cc2)o1 ZINC000271438283 432395092 /nfs/dbraw/zinc/39/50/92/432395092.db2.gz BPDQRMQRFBZNIO-WCQYABFASA-N 1 1 316.361 3.408 20 5 DGBDMO C[C@H](c1cccc(Cl)c1)[N@@H+](C)CCn1ccc([N+](=O)[O-])n1 ZINC000176212697 432501351 /nfs/dbraw/zinc/50/13/51/432501351.db2.gz VXXXNWYZBDFEQM-LLVKDONJSA-N 1 1 308.769 3.138 20 5 DGBDMO O=[N+]([O-])c1ccn(CC[N@H+]2CCC[C@H]2c2cccc(Cl)c2)n1 ZINC000176212048 432501843 /nfs/dbraw/zinc/50/18/43/432501843.db2.gz QMBOYPJNFDMOLH-AWEZNQCLSA-N 1 1 320.780 3.282 20 5 DGBDMO C[C@@H](Cc1ccc(Cl)cc1)[N@@H+](C)CCn1ccc([N+](=O)[O-])n1 ZINC000176249478 432504785 /nfs/dbraw/zinc/50/47/85/432504785.db2.gz ACPJEHNUZWFXMC-LBPRGKRZSA-N 1 1 322.796 3.008 20 5 DGBDMO C[C@@H]1C[C@H](c2cccc(F)c2)[N@@H+](CCn2ccc([N+](=O)[O-])n2)C1 ZINC000176269339 432506067 /nfs/dbraw/zinc/50/60/67/432506067.db2.gz MOMASXRFQSDJNW-IUODEOHRSA-N 1 1 318.352 3.014 20 5 DGBDMO Cc1cc([N+](=O)[O-])cnc1N[C@H](C)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC000272656204 432532997 /nfs/dbraw/zinc/53/29/97/432532997.db2.gz BFZYOTDAKKKGET-KGLIPLIRSA-N 1 1 318.421 3.363 20 5 DGBDMO O=[N+]([O-])c1ccc(C[NH2+]Cc2nc(-c3ccccc3)c[nH]2)cc1 ZINC000194244012 432534570 /nfs/dbraw/zinc/53/45/70/432534570.db2.gz VUQOFGSTEOISPY-UHFFFAOYSA-N 1 1 308.341 3.275 20 5 DGBDMO Cc1ccc([N+](=O)[O-])cc1[C@@H](C)NCC[N@@H+]1CCC[C@H](C)C1 ZINC000156683393 432605022 /nfs/dbraw/zinc/60/50/22/432605022.db2.gz LRMHAZFBNIBATN-DZGCQCFKSA-N 1 1 305.422 3.286 20 5 DGBDMO Cc1ccc([N+](=O)[O-])cc1[C@@H](C)NCC[N@H+]1CCC[C@H](C)C1 ZINC000156683393 432605025 /nfs/dbraw/zinc/60/50/25/432605025.db2.gz LRMHAZFBNIBATN-DZGCQCFKSA-N 1 1 305.422 3.286 20 5 DGBDMO NC(=O)[C@@H]1CC[N@@H+](Cc2c3ccccc3cc3ccccc32)C1 ZINC000157149227 432614986 /nfs/dbraw/zinc/61/49/86/432614986.db2.gz AWEPAFIKPPZAIS-MRXNPFEDSA-N 1 1 304.393 3.300 20 5 DGBDMO C[C@H](c1nnc(-c2ccc([N+](=O)[O-])cc2)o1)[N@H+]1CCC[C@@H](C)C1 ZINC000263779386 432576165 /nfs/dbraw/zinc/57/61/65/432576165.db2.gz OYEXZCPTXPLTBL-VXGBXAGGSA-N 1 1 316.361 3.438 20 5 DGBDMO CCC[C@]1(COC)CCC[N@H+]1Cc1ccc(OC)c([N+](=O)[O-])c1 ZINC000194933574 432587902 /nfs/dbraw/zinc/58/79/02/432587902.db2.gz NZWQDYXFUMIXGT-QGZVFWFLSA-N 1 1 322.405 3.385 20 5 DGBDMO COc1cnccc1[C@@H](C)[NH2+][C@@H](C)c1cccc([N+](=O)[O-])c1 ZINC000187067747 432644800 /nfs/dbraw/zinc/64/48/00/432644800.db2.gz TXGJUZMZIYAULR-NWDGAFQWSA-N 1 1 301.346 3.410 20 5 DGBDMO CC[C@@H](C)C[N@@H+](CC)[C@@H](C)C(=O)Nc1ccccc1[N+](=O)[O-] ZINC000160535665 432726341 /nfs/dbraw/zinc/72/63/41/432726341.db2.gz HOHQRLJCUQOEKL-OLZOCXBDSA-N 1 1 307.394 3.290 20 5 DGBDMO C[N@@H+](CCc1ccc([N+](=O)[O-])cc1)[C@H](CCO)c1ccccc1 ZINC000266573652 432766197 /nfs/dbraw/zinc/76/61/97/432766197.db2.gz FHHUHHMFXZFOPM-GOSISDBHSA-N 1 1 314.385 3.193 20 5 DGBDMO COc1ccc([N+](=O)[O-])cc1C[NH2+][C@H](C)c1cnn(C(C)C)c1 ZINC000178730377 432771870 /nfs/dbraw/zinc/77/18/70/432771870.db2.gz OUSJHJASSQOLDQ-GFCCVEGCSA-N 1 1 318.377 3.232 20 5 DGBDMO Cc1nc(NC[C@@H]2CCC[N@H+](CC(C)C)C2)ccc1[N+](=O)[O-] ZINC000161313415 432772724 /nfs/dbraw/zinc/77/27/24/432772724.db2.gz FMSFOIQFHSPXIS-AWEZNQCLSA-N 1 1 306.410 3.078 20 5 DGBDMO Cc1cc([N+](=O)[O-])ccc1NC(=O)C[N@H+]1CCC[C@H]2CCC[C@H]21 ZINC000245441227 432832324 /nfs/dbraw/zinc/83/23/24/432832324.db2.gz HDULZPMMDJAXCT-CZUORRHYSA-N 1 1 317.389 3.106 20 5 DGBDMO CCCN1CCC([NH2+][C@@H](C)c2cc([N+](=O)[O-])ccc2C)CC1 ZINC000161619012 432790517 /nfs/dbraw/zinc/79/05/17/432790517.db2.gz NWGCBKZEUQGQCU-AWEZNQCLSA-N 1 1 305.422 3.428 20 5 DGBDMO C[C@H]1CCC[C@@](C[NH2+]Cc2cccc([N+](=O)[O-])c2)(N(C)C)C1 ZINC000237529577 432790746 /nfs/dbraw/zinc/79/07/46/432790746.db2.gz ZRVDTSJSJGIGSQ-WMLDXEAASA-N 1 1 305.422 3.195 20 5 DGBDMO COc1ccc(C[N@H+](C)Cc2ccc([N+](=O)[O-])c(F)c2)cc1O ZINC000276365555 432800747 /nfs/dbraw/zinc/80/07/47/432800747.db2.gz ZVEZHVAQVMQQND-UHFFFAOYSA-N 1 1 320.320 3.080 20 5 DGBDMO COc1ccc(C[N@@H+](C)Cc2ccc([N+](=O)[O-])c(F)c2)cc1O ZINC000276365555 432800750 /nfs/dbraw/zinc/80/07/50/432800750.db2.gz ZVEZHVAQVMQQND-UHFFFAOYSA-N 1 1 320.320 3.080 20 5 DGBDMO Cc1cc([N+](=O)[O-])ccc1N1CC[C@@H]2[C@H](CCC[N@H+]2C2CC2)C1 ZINC000161884468 432803744 /nfs/dbraw/zinc/80/37/44/432803744.db2.gz GYFQDACCVJCBLP-RDTXWAMCSA-N 1 1 315.417 3.356 20 5 DGBDMO O=[N+]([O-])c1cccc(C[N@@H+]2CCC[C@H]2C[C@@H](O)c2ccco2)c1 ZINC000268268891 432860312 /nfs/dbraw/zinc/86/03/12/432860312.db2.gz MNVJLUNIBFLBFD-GOEBONIOSA-N 1 1 316.357 3.276 20 5 DGBDMO O=[N+]([O-])c1ccc(C[N@@H+]2CCC[C@H]2C[C@@H](O)c2ccco2)cc1 ZINC000268243431 432858602 /nfs/dbraw/zinc/85/86/02/432858602.db2.gz HICYAXLCNRCMDP-JKSUJKDBSA-N 1 1 316.357 3.276 20 5 DGBDMO C[C@H]1CC[C@@H]([N@@H+](CCO)Cc2ccc(Cl)cc2[N+](=O)[O-])C1 ZINC000330812049 432925635 /nfs/dbraw/zinc/92/56/35/432925635.db2.gz AZHHIKYZQXLIKX-SMDDNHRTSA-N 1 1 312.797 3.231 20 5 DGBDMO CCOc1cc(C[N@H+]2CCS[C@H](C)[C@@H]2C)ccc1[N+](=O)[O-] ZINC000331170455 432933627 /nfs/dbraw/zinc/93/36/27/432933627.db2.gz NZFHRXJYHSBVAY-NWDGAFQWSA-N 1 1 310.419 3.319 20 5 DGBDMO C[C@@H](O)[C@@H]1C[C@H](C)CC[N@H+]1Cc1ccc([N+](=O)[O-])cc1Cl ZINC000331292506 432937620 /nfs/dbraw/zinc/93/76/20/432937620.db2.gz QJKDCMMQJAXRPX-HFAKWTLXSA-N 1 1 312.797 3.230 20 5 DGBDMO COCc1ccc(C[N@@H+](C)CCc2ccccc2[N+](=O)[O-])o1 ZINC000289336340 432946739 /nfs/dbraw/zinc/94/67/39/432946739.db2.gz HHGGZGGZPMJWOO-UHFFFAOYSA-N 1 1 304.346 3.009 20 5 DGBDMO O=C(CC[N@H+]1CCC[C@H]2CCC[C@@H]21)Nc1ccc([N+](=O)[O-])cc1 ZINC000331518156 432946861 /nfs/dbraw/zinc/94/68/61/432946861.db2.gz FRTOJCHOCYJHBQ-CJNGLKHVSA-N 1 1 317.389 3.188 20 5 DGBDMO C[N@H+](CCc1cccc([N+](=O)[O-])c1)CC[C@H](O)c1ccccc1 ZINC000288795691 432898697 /nfs/dbraw/zinc/89/86/97/432898697.db2.gz CQLJMRNCRJAIGW-SFHVURJKSA-N 1 1 314.385 3.193 20 5 DGBDMO O=[N+]([O-])c1ccc(C[N@@H+]2CC3(CCC3)[C@@H]2[C@@H]2CCCO2)cc1F ZINC000289460252 432964416 /nfs/dbraw/zinc/96/44/16/432964416.db2.gz GLMDXCDEZSNLKR-HOTGVXAUSA-N 1 1 320.364 3.267 20 5 DGBDMO O=[N+]([O-])c1ccc(C[N@H+]2CC3(CCC3)[C@@H]2[C@@H]2CCCO2)cc1F ZINC000289460252 432964419 /nfs/dbraw/zinc/96/44/19/432964419.db2.gz GLMDXCDEZSNLKR-HOTGVXAUSA-N 1 1 320.364 3.267 20 5 DGBDMO COC(=O)c1coc([C@@H](C)[NH2+][C@@H](C)c2ccc([N+](=O)[O-])cc2)c1 ZINC000297157434 432967559 /nfs/dbraw/zinc/96/75/59/432967559.db2.gz CQJVNPDDUCGNRG-WDEREUQCSA-N 1 1 318.329 3.386 20 5 DGBDMO C[C@@H]1CCCC[C@H]1[N@@H+](C)Cc1nc2cc([N+](=O)[O-])ccc2[nH]1 ZINC000332159285 432978606 /nfs/dbraw/zinc/97/86/06/432978606.db2.gz KIKBSDVKIKMPEV-IAQYHMDHSA-N 1 1 302.378 3.482 20 5 DGBDMO Cc1cnn([C@H]2CC[N@H+]([C@H](C)c3ccccc3[N+](=O)[O-])C2)c1 ZINC000289988919 432981068 /nfs/dbraw/zinc/98/10/68/432981068.db2.gz SFYSBRLNNWPAKI-KGLIPLIRSA-N 1 1 300.362 3.108 20 5 DGBDMO O=[N+]([O-])c1ccc(C[N@@H+]2CC3(CCC3)[C@@H]2[C@H]2CCCO2)cc1F ZINC000289460250 432963831 /nfs/dbraw/zinc/96/38/31/432963831.db2.gz GLMDXCDEZSNLKR-CVEARBPZSA-N 1 1 320.364 3.267 20 5 DGBDMO O=[N+]([O-])c1ccc(C[N@H+]2CC3(CCC3)[C@@H]2[C@H]2CCCO2)cc1F ZINC000289460250 432963833 /nfs/dbraw/zinc/96/38/33/432963833.db2.gz GLMDXCDEZSNLKR-CVEARBPZSA-N 1 1 320.364 3.267 20 5 DGBDMO CC(C)n1nccc1C[NH2+]Cc1cc([N+](=O)[O-])ccc1Cl ZINC000280368697 433041819 /nfs/dbraw/zinc/04/18/19/433041819.db2.gz SNMZNDHYMAZOLB-UHFFFAOYSA-N 1 1 308.769 3.315 20 5 DGBDMO CO[C@]1(C)CCC[N@@H+](Cc2nc3cc([N+](=O)[O-])ccc3o2)CC1 ZINC000280380341 433043120 /nfs/dbraw/zinc/04/31/20/433043120.db2.gz LBQNRVWWXQYIMI-MRXNPFEDSA-N 1 1 319.361 3.127 20 5 DGBDMO Cc1cc(-c2noc(C[NH+]3CCC(C)CC3)n2)cc([N+](=O)[O-])c1 ZINC000453296634 433069708 /nfs/dbraw/zinc/06/97/08/433069708.db2.gz SYMZGVUUVRFFOF-UHFFFAOYSA-N 1 1 316.361 3.185 20 5 DGBDMO CC(=O)c1cc(NC[C@@H](C)[N@H+]2CCC[C@@H](C)C2)ccc1[N+](=O)[O-] ZINC000341540077 433123615 /nfs/dbraw/zinc/12/36/15/433123615.db2.gz YSSNBYRVTLDUNB-CHWSQXEVSA-N 1 1 319.405 3.330 20 5 DGBDMO CC1=C(C)C[N@@H+](CCC(=O)Nc2cc([N+](=O)[O-])ccc2F)CC1 ZINC000280762410 433165153 /nfs/dbraw/zinc/16/51/53/433165153.db2.gz OILFYTPABSXSLD-UHFFFAOYSA-N 1 1 321.352 3.105 20 5 DGBDMO CCC(=O)c1ccc(N[C@H]2CC[N@H+]3CCCC[C@@H]23)c([N+](=O)[O-])c1 ZINC000280798030 433177359 /nfs/dbraw/zinc/17/73/59/433177359.db2.gz VMHIZLPQNQRGLC-GJZGRUSLSA-N 1 1 317.389 3.226 20 5 DGBDMO CCC[C@H]([NH2+][C@H]1CCc2cn[nH]c2C1)c1cccc([N+](=O)[O-])c1 ZINC000374445204 433193491 /nfs/dbraw/zinc/19/34/91/433193491.db2.gz XVZDOTIBQPZWRK-HOCLYGCPSA-N 1 1 314.389 3.306 20 5 DGBDMO CC[N@@H+](CC1CCC1)[C@H](C)C(=O)Nc1cccc([N+](=O)[O-])c1C ZINC000361485535 433203151 /nfs/dbraw/zinc/20/31/51/433203151.db2.gz OPSHBWMHYCEXKC-CYBMUJFWSA-N 1 1 319.405 3.352 20 5 DGBDMO C[C@@H]1[C@H](Nc2nccc3ccc([N+](=O)[O-])cc32)CCC[N@H+]1C ZINC000413249845 433268856 /nfs/dbraw/zinc/26/88/56/433268856.db2.gz UBBYIXJODSACBC-IAQYHMDHSA-N 1 1 300.362 3.038 20 5 DGBDMO CC(C)(C)OC(=O)[C@@]1(C)CC[N@@H+](Cc2cccc([N+](=O)[O-])c2)C1 ZINC000453625210 433251003 /nfs/dbraw/zinc/25/10/03/433251003.db2.gz RHBGYHXNXCUKIM-KRWDZBQOSA-N 1 1 320.389 3.149 20 5 DGBDMO CC[C@@H](c1ccccc1)[N@@H+](CC)CCn1cc([N+](=O)[O-])cn1 ZINC000350703780 433260597 /nfs/dbraw/zinc/26/05/97/433260597.db2.gz VCIIGMCIHUTNAG-INIZCTEOSA-N 1 1 302.378 3.265 20 5 DGBDMO Cc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@H+](C)[C@@H](C)C(C)C ZINC000341811692 433292721 /nfs/dbraw/zinc/29/27/21/433292721.db2.gz VLKFPUQABUUWPH-ZDUSSCGKSA-N 1 1 307.394 3.208 20 5 DGBDMO CO[C@H](C[N@H+]1CCc2ccc([N+](=O)[O-])cc2C1)c1ccccc1 ZINC000338544617 433304970 /nfs/dbraw/zinc/30/49/70/433304970.db2.gz RILPEDMALCLRKY-GOSISDBHSA-N 1 1 312.369 3.341 20 5 DGBDMO COCC[N@H+](Cc1ccccc1[N+](=O)[O-])C[C@H]1CC=CCC1 ZINC000361687574 433340859 /nfs/dbraw/zinc/34/08/59/433340859.db2.gz PVMGWIVVPXEEQW-HNNXBMFYSA-N 1 1 304.390 3.400 20 5 DGBDMO O=[N+]([O-])c1cccc(Cl)c1C[N@@H+]1CCC[C@@H](CCO)CC1 ZINC000421011833 433385497 /nfs/dbraw/zinc/38/54/97/433385497.db2.gz HNBWKRSPRLDEJJ-GFCCVEGCSA-N 1 1 312.797 3.233 20 5 DGBDMO C[C@H](CNc1ccc([N+](=O)[O-])cc1)[N@H+]1CCc2ccccc2C1 ZINC000301085399 433410319 /nfs/dbraw/zinc/41/03/19/433410319.db2.gz KJWXCFOUCXIMHZ-CQSZACIVSA-N 1 1 311.385 3.454 20 5 DGBDMO O=[N+]([O-])c1cccc(Cl)c1C[N@@H+]1CCC[C@H]1[C@@H]1CCCO1 ZINC000342021875 433419319 /nfs/dbraw/zinc/41/93/19/433419319.db2.gz OWZDBJFHUUGTDF-GJZGRUSLSA-N 1 1 310.781 3.392 20 5 DGBDMO O=[N+]([O-])c1cccc(Cl)c1C[N@H+]1CCC[C@H]1[C@@H]1CCCO1 ZINC000342021875 433419328 /nfs/dbraw/zinc/41/93/28/433419328.db2.gz OWZDBJFHUUGTDF-GJZGRUSLSA-N 1 1 310.781 3.392 20 5 DGBDMO CC[N@@H+](CCC1CC1)[C@H](C)C(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000355029526 433420798 /nfs/dbraw/zinc/42/07/98/433420798.db2.gz AVRZRTVVBFUDCW-GFCCVEGCSA-N 1 1 305.378 3.044 20 5 DGBDMO COCC(C)(C)[N@@H+](C)Cc1cc([N+](=O)[O-])ccc1C(F)(F)F ZINC000339209250 433439380 /nfs/dbraw/zinc/43/93/80/433439380.db2.gz KUXBWRYTXUECGM-UHFFFAOYSA-N 1 1 320.311 3.470 20 5 DGBDMO Cc1cc([N+](=O)[O-])cnc1NCCCC[N@@H+]1CCCC[C@@H]1C ZINC000301184048 433445817 /nfs/dbraw/zinc/44/58/17/433445817.db2.gz JCGBTWGBUFYADN-AWEZNQCLSA-N 1 1 306.410 3.365 20 5 DGBDMO Cc1cc([N+](=O)[O-])cnc1NCCCC[N@@H+]1CCC[C@@H](C)C1 ZINC000301215427 433454383 /nfs/dbraw/zinc/45/43/83/433454383.db2.gz ZUUSJRTYSUNOKW-CYBMUJFWSA-N 1 1 306.410 3.222 20 5 DGBDMO C[C@H](CNc1ncc([N+](=O)[O-])cc1Cl)[N@H+]1CCC[C@@H](C)C1 ZINC000301254430 433470702 /nfs/dbraw/zinc/47/07/02/433470702.db2.gz CRDDYLGKLKGPLY-GHMZBOCLSA-N 1 1 312.801 3.176 20 5 DGBDMO COc1ccc(C[NH2+]C(C)(C)c2ccccc2[N+](=O)[O-])nc1 ZINC000292147934 433479799 /nfs/dbraw/zinc/47/97/99/433479799.db2.gz NEYKVNNMHRPGPG-UHFFFAOYSA-N 1 1 301.346 3.023 20 5 DGBDMO CC(C)N(C(=O)C[NH2+]C(C)(C)c1ccccc1[N+](=O)[O-])C(C)C ZINC000292230172 433515993 /nfs/dbraw/zinc/51/59/93/433515993.db2.gz VSLLYGFYOFOBDM-UHFFFAOYSA-N 1 1 321.421 3.065 20 5 DGBDMO O=[N+]([O-])c1ccc(-c2noc(C[N@H+]3CC[C@@H]4CCC[C@@H]43)n2)cc1 ZINC000426461435 433503959 /nfs/dbraw/zinc/50/39/59/433503959.db2.gz PDYKENBEFMLKNV-FZMZJTMJSA-N 1 1 314.345 3.019 20 5 DGBDMO O=C(C[N@@H+]1CC[C@H]2CCC[C@@H]21)Nc1ccc([N+](=O)[O-])cc1Cl ZINC000426473114 433509267 /nfs/dbraw/zinc/50/92/67/433509267.db2.gz QMAZJXVCIBAGBP-YGRLFVJLSA-N 1 1 323.780 3.061 20 5 DGBDMO O=C(C[N@H+]1CC[C@H]2CCC[C@@H]21)Nc1ccc([N+](=O)[O-])cc1Cl ZINC000426473114 433509276 /nfs/dbraw/zinc/50/92/76/433509276.db2.gz QMAZJXVCIBAGBP-YGRLFVJLSA-N 1 1 323.780 3.061 20 5 DGBDMO COCC[N@@H+](Cc1cc([N+](=O)[O-])ccc1OC)[C@H]1CC[C@@H](C)C1 ZINC000362157530 433556571 /nfs/dbraw/zinc/55/65/71/433556571.db2.gz PTZJJTXWRQWFDX-HIFRSBDPSA-N 1 1 322.405 3.240 20 5 DGBDMO Cc1ccc(C[N@H+]2CCC[C@H](c3ccc([N+](=O)[O-])cc3)C2)nn1 ZINC000414454928 433628299 /nfs/dbraw/zinc/62/82/99/433628299.db2.gz ASNZKSIPZYSOTP-HNNXBMFYSA-N 1 1 312.373 3.073 20 5 DGBDMO Cc1nc(NCCCC[N@@H+]2CCCC[C@@H]2C)ccc1[N+](=O)[O-] ZINC000301621706 433642470 /nfs/dbraw/zinc/64/24/70/433642470.db2.gz FLWXNTWFJPYHSJ-ZDUSSCGKSA-N 1 1 306.410 3.365 20 5 DGBDMO CCC[C@@H]([NH2+]Cc1c([N+](=O)[O-])ncn1C)c1ccc(F)cc1F ZINC000342297029 433596452 /nfs/dbraw/zinc/59/64/52/433596452.db2.gz SZBHOJQDFWXWFR-CYBMUJFWSA-N 1 1 324.331 3.238 20 5 DGBDMO CCC[C@H]([NH2+]Cc1c([N+](=O)[O-])ncn1C)c1ccc(F)cc1F ZINC000342297032 433597489 /nfs/dbraw/zinc/59/74/89/433597489.db2.gz SZBHOJQDFWXWFR-ZDUSSCGKSA-N 1 1 324.331 3.238 20 5 DGBDMO O=C(CC[N@H+]1CCC[C@H]2CCC[C@@H]21)Nc1ccccc1[N+](=O)[O-] ZINC000283196285 433689713 /nfs/dbraw/zinc/68/97/13/433689713.db2.gz GCATYVZKSSWEKX-HIFRSBDPSA-N 1 1 317.389 3.188 20 5 DGBDMO Cc1cccc([N+](=O)[O-])c1NCCCC[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000301717071 433690484 /nfs/dbraw/zinc/69/04/84/433690484.db2.gz KQMAVHNCUCYLGA-GASCZTMLSA-N 1 1 321.421 3.205 20 5 DGBDMO C[C@@H]1C[C@H](O)C[N@@H+](Cc2ccc(-c3cccc([N+](=O)[O-])c3)o2)C1 ZINC000414525929 433690644 /nfs/dbraw/zinc/69/06/44/433690644.db2.gz NJARDUBYOXVKRI-DOMZBBRYSA-N 1 1 316.357 3.058 20 5 DGBDMO Cc1cc(N2CCC[C@H](Cc3[nH+]ccn3C)C2)ccc1[N+](=O)[O-] ZINC000301719872 433691577 /nfs/dbraw/zinc/69/15/77/433691577.db2.gz PLRPTWSMXOQRDS-CQSZACIVSA-N 1 1 314.389 3.096 20 5 DGBDMO Cc1nc(NCCCC[N@@H+]2CCC[C@H](C)C2)ccc1[N+](=O)[O-] ZINC000301635488 433651626 /nfs/dbraw/zinc/65/16/26/433651626.db2.gz KTVHEGWYAXDBDR-ZDUSSCGKSA-N 1 1 306.410 3.222 20 5 DGBDMO O=[N+]([O-])c1ccc(C[N@H+]2CCC[C@H](C[C@H]3CCOC3)C2)cc1F ZINC000366996978 293011896 /nfs/dbraw/zinc/01/18/96/293011896.db2.gz POLAUIWFHKEMLY-UKRRQHHQSA-N 1 1 322.380 3.373 20 5 DGBDMO CCOc1cc(NCCNc2cccc(C)[nH+]2)ccc1[N+](=O)[O-] ZINC000427370620 433696824 /nfs/dbraw/zinc/69/68/24/433696824.db2.gz UGUWCRLGUVOPKE-UHFFFAOYSA-N 1 1 316.361 3.221 20 5 DGBDMO Cc1n[nH]c(C)c1[C@H]1CCC[N@H+]1Cc1ccccc1[N+](=O)[O-] ZINC000130516515 293121570 /nfs/dbraw/zinc/12/15/70/293121570.db2.gz PKDNGKWUJVKNOP-OAHLLOKOSA-N 1 1 300.362 3.272 20 5 DGBDMO C[C@@H]1[C@@H](C)[N@@H+](C)CCN1c1ccc([N+](=O)[O-])c(C(F)(F)F)c1 ZINC000356790677 433701954 /nfs/dbraw/zinc/70/19/54/433701954.db2.gz HRALQHHASCJCDH-NXEZZACHSA-N 1 1 317.311 3.142 20 5 DGBDMO Cc1ccc([C@H]2CCCC[N@H+]2Cc2c([N+](=O)[O-])ncn2C)cc1 ZINC000370044204 293151768 /nfs/dbraw/zinc/15/17/68/293151768.db2.gz AAWHCKGLEYPQDO-OAHLLOKOSA-N 1 1 314.389 3.364 20 5 DGBDMO Cc1ccc([C@H]2CCCC[N@@H+]2Cc2c([N+](=O)[O-])ncn2C)cc1 ZINC000370044204 293151769 /nfs/dbraw/zinc/15/17/69/293151769.db2.gz AAWHCKGLEYPQDO-OAHLLOKOSA-N 1 1 314.389 3.364 20 5 DGBDMO CCC[N@@H+](CCC(=O)Nc1ccccc1[N+](=O)[O-])CC1CC1 ZINC000283397555 433716040 /nfs/dbraw/zinc/71/60/40/433716040.db2.gz FHQLSMGKWQOZAO-UHFFFAOYSA-N 1 1 305.378 3.045 20 5 DGBDMO COc1cc(C[N@H+]2CC[C@@H](CC3CC3)C2)c([N+](=O)[O-])cc1F ZINC000339672240 433718484 /nfs/dbraw/zinc/71/84/84/433718484.db2.gz BNMGFLHEVCVJMG-LBPRGKRZSA-N 1 1 308.353 3.365 20 5 DGBDMO O=[N+]([O-])c1ccccc1/C=C\C[N@H+]1CCSC[C@@H]1C1CC1 ZINC000449528047 433751847 /nfs/dbraw/zinc/75/18/47/433751847.db2.gz MUZOPDROPLSWGG-OICCZTGUSA-N 1 1 304.415 3.435 20 5 DGBDMO C[N@H+](CCc1cscn1)Cc1cc([N+](=O)[O-])ccc1Cl ZINC000283670725 433761021 /nfs/dbraw/zinc/76/10/21/433761021.db2.gz DWDAEYUIZVYBNZ-UHFFFAOYSA-N 1 1 311.794 3.379 20 5 DGBDMO C[N@@H+](CCc1cscn1)Cc1cc([N+](=O)[O-])ccc1Cl ZINC000283670725 433761032 /nfs/dbraw/zinc/76/10/32/433761032.db2.gz DWDAEYUIZVYBNZ-UHFFFAOYSA-N 1 1 311.794 3.379 20 5 DGBDMO CCc1ccc([C@@H]([NH2+]C[C@H](O)CC)c2ccc([N+](=O)[O-])cc2)o1 ZINC000421880488 433789131 /nfs/dbraw/zinc/78/91/31/433789131.db2.gz QKZFXTPZQQYSKU-PBHICJAKSA-N 1 1 318.373 3.200 20 5 DGBDMO CC(C)[N@H+]1CC[C@H](N(C)C/C=C\c2ccccc2[N+](=O)[O-])C1 ZINC000449784965 433800448 /nfs/dbraw/zinc/80/04/48/433800448.db2.gz DCGQVBDZBGSCII-IOBAAEILSA-N 1 1 303.406 3.023 20 5 DGBDMO C/C(=C/c1cccc([N+](=O)[O-])c1)CN(C)[C@H]1CC[N@H+](C(C)C)C1 ZINC000449789491 433802835 /nfs/dbraw/zinc/80/28/35/433802835.db2.gz ZYSUUTZBLWKVCV-BXBOZWQASA-N 1 1 317.433 3.413 20 5 DGBDMO Cc1c(NC(=O)CC[N@H+](C)[C@@H](C)C2CCC2)cccc1[N+](=O)[O-] ZINC000357013570 433820068 /nfs/dbraw/zinc/82/00/68/433820068.db2.gz VADSGDHCQJTXEI-ZDUSSCGKSA-N 1 1 319.405 3.352 20 5 DGBDMO C[C@@H]1[C@@H](Nc2ccnc3c2cccc3[N+](=O)[O-])CCC[N@H+]1C ZINC000432144176 433821714 /nfs/dbraw/zinc/82/17/14/433821714.db2.gz VWGADGWWGIPJFN-YPMHNXCESA-N 1 1 300.362 3.038 20 5 DGBDMO CN(Cc1ccccc1[N+](=O)[O-])c1cc[nH+]cc1Br ZINC000339970686 433875181 /nfs/dbraw/zinc/87/51/81/433875181.db2.gz NCRVRACDWMYVRZ-UHFFFAOYSA-N 1 1 322.162 3.389 20 5 DGBDMO Cc1cc([N+](=O)[O-])cc(Cl)c1N1CC[C@H]2[C@@H](CCC[N@@H+]2C)C1 ZINC000302833990 433875799 /nfs/dbraw/zinc/87/57/99/433875799.db2.gz SXHJRICTVSLZRL-WFASDCNBSA-N 1 1 323.824 3.477 20 5 DGBDMO COC[C@@H]1CCCC[N@H+](Cc2c(F)cc([N+](=O)[O-])cc2F)C1 ZINC000351985809 433838565 /nfs/dbraw/zinc/83/85/65/433838565.db2.gz BKZMVUXPWUIRBR-LLVKDONJSA-N 1 1 314.332 3.122 20 5 DGBDMO COC[C@@H]1CCCC[N@@H+](Cc2c(F)cc([N+](=O)[O-])cc2F)C1 ZINC000351985809 433838573 /nfs/dbraw/zinc/83/85/73/433838573.db2.gz BKZMVUXPWUIRBR-LLVKDONJSA-N 1 1 314.332 3.122 20 5 DGBDMO Cc1cc([N+](=O)[O-])cc(Cl)c1N1CC[C@H]2[C@H](CCC[N@@H+]2C)C1 ZINC000302833987 433878081 /nfs/dbraw/zinc/87/80/81/433878081.db2.gz SXHJRICTVSLZRL-DOMZBBRYSA-N 1 1 323.824 3.477 20 5 DGBDMO CCC(N)(CC)C[NH2+][C@H]1CCC[C@@H]1Cc1ccccc1[N+](=O)[O-] ZINC000414812817 433855399 /nfs/dbraw/zinc/85/53/99/433855399.db2.gz RXICCJOOQJQHQK-ZBFHGGJFSA-N 1 1 319.449 3.413 20 5 DGBDMO Cn1cc([C@@H]([NH2+]Cc2ccc([N+](=O)[O-])cc2)c2ccccc2)cn1 ZINC000376345655 293642640 /nfs/dbraw/zinc/64/26/40/293642640.db2.gz AZNYVFWVPMGMBS-SFHVURJKSA-N 1 1 322.368 3.208 20 5 DGBDMO CC[N@H+]1C[C@@H](C)N(c2ccc([N+](=O)[O-])c3cnccc32)C[C@@H]1C ZINC000345173133 433900488 /nfs/dbraw/zinc/90/04/88/433900488.db2.gz MJSVPYVKCRDPQL-QWHCGFSZSA-N 1 1 314.389 3.062 20 5 DGBDMO O=[N+]([O-])c1ccc(-c2nnc(C[N@H+]3CCC[C@@H]3C3CC3)o2)cc1 ZINC000377533366 433907504 /nfs/dbraw/zinc/90/75/04/433907504.db2.gz IIFPSCKNEXXESC-CQSZACIVSA-N 1 1 314.345 3.019 20 5 DGBDMO CCOc1ccc([C@H](C)[NH2+]Cc2snnc2C)cc1[N+](=O)[O-] ZINC000293845382 433892460 /nfs/dbraw/zinc/89/24/60/433892460.db2.gz XAWWOYOQNJPXQQ-VIFPVBQESA-N 1 1 322.390 3.004 20 5 DGBDMO C[C@@H]1SCC[N@@H+](CCCOc2ccc([N+](=O)[O-])cc2)[C@H]1C ZINC000303725670 433961291 /nfs/dbraw/zinc/96/12/91/433961291.db2.gz STHFZFAPKNDQHH-STQMWFEESA-N 1 1 310.419 3.190 20 5 DGBDMO Cc1noc([C@@H]2CCCC[N@@H+]2CCc2ccc([N+](=O)[O-])cc2)n1 ZINC000285547464 433988880 /nfs/dbraw/zinc/98/88/80/433988880.db2.gz GHHQOXQQNMJTLA-HNNXBMFYSA-N 1 1 316.361 3.056 20 5 DGBDMO Cc1noc([C@@H]2CCCC[N@H+]2CCc2ccc([N+](=O)[O-])cc2)n1 ZINC000285547464 433988887 /nfs/dbraw/zinc/98/88/87/433988887.db2.gz GHHQOXQQNMJTLA-HNNXBMFYSA-N 1 1 316.361 3.056 20 5 DGBDMO O=[N+]([O-])c1cccc(F)c1N[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000303394439 433939424 /nfs/dbraw/zinc/93/94/24/433939424.db2.gz SLYQFKBLZHOHPW-CQSZACIVSA-N 1 1 315.348 3.420 20 5 DGBDMO O=[N+]([O-])c1cc(Cl)ccc1C[NH+]1CCC(n2cccn2)CC1 ZINC000363490249 434070683 /nfs/dbraw/zinc/07/06/83/434070683.db2.gz QGNSGZNTQAAALS-UHFFFAOYSA-N 1 1 320.780 3.282 20 5 DGBDMO O=[N+]([O-])c1cccc2c1ccnc2N[C@H]1CC[N@H+]2CCC[C@@H]2C1 ZINC000450254000 434059223 /nfs/dbraw/zinc/05/92/23/434059223.db2.gz RMDUSONUUKVQGO-QWHCGFSZSA-N 1 1 312.373 3.182 20 5 DGBDMO C[C@@H]([NH2+]CCCCc1ccc([N+](=O)[O-])cc1)[C@H]1CCCCN1 ZINC000422918011 434108829 /nfs/dbraw/zinc/10/88/29/434108829.db2.gz HCNOSKFDVZHYGN-RHSMWYFYSA-N 1 1 305.422 3.038 20 5 DGBDMO CC[C@H]1C[C@H](C)C[N@H+]1CCC(=O)Nc1ccccc1[N+](=O)[O-] ZINC000500125954 294104903 /nfs/dbraw/zinc/10/49/03/294104903.db2.gz QLVUJBGHSSXIBX-STQMWFEESA-N 1 1 305.378 3.044 20 5 DGBDMO CC(C)(C)[C@H]1CC[N@@H+](CCC(=O)Nc2ccccc2[N+](=O)[O-])C1 ZINC000501055314 294130170 /nfs/dbraw/zinc/13/01/70/294130170.db2.gz BELWHPVJDCTATF-ZDUSSCGKSA-N 1 1 319.405 3.291 20 5 DGBDMO CC1(C)CCC[N@@H+](CCC(=O)Nc2ccc([N+](=O)[O-])cc2)CC1 ZINC000357815342 434197075 /nfs/dbraw/zinc/19/70/75/434197075.db2.gz XPCFEKVSBFPXIV-UHFFFAOYSA-N 1 1 319.405 3.436 20 5 DGBDMO Cn1cncc1C[NH2+][C@H](c1ccccc1)c1cccc([N+](=O)[O-])c1 ZINC000353574616 434241668 /nfs/dbraw/zinc/24/16/68/434241668.db2.gz XXHRYFQBQDJGFX-GOSISDBHSA-N 1 1 322.368 3.208 20 5 DGBDMO C[N@H+]1CCN(Cc2ccc([N+](=O)[O-])cc2F)c2ccccc2C1 ZINC000353590770 434255552 /nfs/dbraw/zinc/25/55/52/434255552.db2.gz VBIURSSYWANURV-UHFFFAOYSA-N 1 1 315.348 3.186 20 5 DGBDMO Cc1cc(N[C@@H]2CC[N@H+](C)[C@@H](C)C2)c2cc([N+](=O)[O-])ccc2n1 ZINC000322737228 434264187 /nfs/dbraw/zinc/26/41/87/434264187.db2.gz XKBMCBZBYZBBSM-QWHCGFSZSA-N 1 1 314.389 3.346 20 5 DGBDMO Cc1cc(N[C@@H]2CC[N@@H+](C)[C@@H](C)C2)c2cc([N+](=O)[O-])ccc2n1 ZINC000322737228 434264195 /nfs/dbraw/zinc/26/41/95/434264195.db2.gz XKBMCBZBYZBBSM-QWHCGFSZSA-N 1 1 314.389 3.346 20 5 DGBDMO Cc1[nH+]ccn1-c1ccc(NCc2cccc([N+](=O)[O-])c2)cn1 ZINC000319909677 434227001 /nfs/dbraw/zinc/22/70/01/434227001.db2.gz DCIUHGGCNVGDQN-UHFFFAOYSA-N 1 1 309.329 3.096 20 5 DGBDMO C[C@@H]1CCCC[N@H+]1CCCCNc1ccc(N)cc1[N+](=O)[O-] ZINC000286345848 434239565 /nfs/dbraw/zinc/23/95/65/434239565.db2.gz KORVOBCALPQLNF-CYBMUJFWSA-N 1 1 306.410 3.244 20 5 DGBDMO CC1(C)C[C@H](O)CC[N@@H+](C/C=C/c2ccccc2[N+](=O)[O-])C1 ZINC000295262843 434281175 /nfs/dbraw/zinc/28/11/75/434281175.db2.gz RIXQVVFGJLEISB-KEDPEKRHSA-N 1 1 304.390 3.091 20 5 DGBDMO Cn1ccnc1[C@H]([NH2+][C@@H]1CC=CCC1)c1cccc([N+](=O)[O-])c1 ZINC000353642153 434300802 /nfs/dbraw/zinc/30/08/02/434300802.db2.gz GQUNHTAWHVPLPY-GDBMZVCRSA-N 1 1 312.373 3.116 20 5 DGBDMO CC1(C)C[C@H](O)CC[N@H+](Cc2ccc(Cl)c([N+](=O)[O-])c2)C1 ZINC000295346095 434321435 /nfs/dbraw/zinc/32/14/35/434321435.db2.gz YOLMYUHTTYCOII-GFCCVEGCSA-N 1 1 312.797 3.231 20 5 DGBDMO CC1(C)C[C@H](O)CC[N@@H+](Cc2ccc(Cl)c([N+](=O)[O-])c2)C1 ZINC000295346095 434321443 /nfs/dbraw/zinc/32/14/43/434321443.db2.gz YOLMYUHTTYCOII-GFCCVEGCSA-N 1 1 312.797 3.231 20 5 DGBDMO C[C@@H]([NH2+][C@@H](C)CN)c1ccc(-c2ccccc2[N+](=O)[O-])s1 ZINC000423366407 434385142 /nfs/dbraw/zinc/38/51/42/434385142.db2.gz LHCBLRXJSJRABD-WDEREUQCSA-N 1 1 305.403 3.321 20 5 DGBDMO CC[N@@H+]1CC[C@@H](CN[C@H]2CCCCc3ccc([N+](=O)[O-])cc32)C1 ZINC000417331973 434358350 /nfs/dbraw/zinc/35/83/50/434358350.db2.gz WSFYCZAKVHKGCX-KSSFIOAISA-N 1 1 317.433 3.294 20 5 DGBDMO CC[N@H+]1CC[C@@H](CN[C@H]2CCCCc3ccc([N+](=O)[O-])cc32)C1 ZINC000417331973 434358363 /nfs/dbraw/zinc/35/83/63/434358363.db2.gz WSFYCZAKVHKGCX-KSSFIOAISA-N 1 1 317.433 3.294 20 5 DGBDMO C[C@@H](NC[C@@H]1[NH2+]CCc2ccccc21)c1cccc([N+](=O)[O-])c1 ZINC000423421091 434416258 /nfs/dbraw/zinc/41/62/58/434416258.db2.gz JRTNHSPRGZFPHP-ACJLOTCBSA-N 1 1 311.385 3.132 20 5 DGBDMO CC1(C)C[C@H](O)CC[N@H+](Cc2c(Cl)cccc2[N+](=O)[O-])C1 ZINC000395394077 434418273 /nfs/dbraw/zinc/41/82/73/434418273.db2.gz VZWPPCNVRIYFJF-LLVKDONJSA-N 1 1 312.797 3.231 20 5 DGBDMO CC1(C)C[C@H](O)CC[N@@H+](Cc2c(Cl)cccc2[N+](=O)[O-])C1 ZINC000395394077 434418281 /nfs/dbraw/zinc/41/82/81/434418281.db2.gz VZWPPCNVRIYFJF-LLVKDONJSA-N 1 1 312.797 3.231 20 5 DGBDMO CCO[C@@H]1C[C@@H]([N@@H+](C)Cc2ccc(OC)c([N+](=O)[O-])c2)C1(C)C ZINC000353780081 434429696 /nfs/dbraw/zinc/42/96/96/434429696.db2.gz KGIGEGAJSMAXMX-HZPDHXFCSA-N 1 1 322.405 3.239 20 5 DGBDMO CCOc1ccc([C@H](C)[NH2+][C@H](CN)C2CCCC2)cc1[N+](=O)[O-] ZINC000423512072 434466006 /nfs/dbraw/zinc/46/60/06/434466006.db2.gz UMRWFQBNLHFOEV-SWLSCSKDSA-N 1 1 321.421 3.162 20 5 DGBDMO O=[N+]([O-])c1ccc(Cl)c(C[N@H+]2CC[C@@H]([C@@H]3CCOC3)C2)c1 ZINC000366648160 434476057 /nfs/dbraw/zinc/47/60/57/434476057.db2.gz ACBUKOFRMHDSKA-VXGBXAGGSA-N 1 1 310.781 3.107 20 5 DGBDMO C[C@H]1Cc2[nH+]cn(CCOc3ccc([N+](=O)[O-])cc3)c2C[C@@H]1C ZINC000450994838 434522044 /nfs/dbraw/zinc/52/20/44/434522044.db2.gz DMLLBOUEARYSAI-STQMWFEESA-N 1 1 315.373 3.241 20 5 DGBDMO Cc1nc(N2CCC[C@@H]([N@@H+]3[C@H](C)CC[C@@H]3C)C2)ccc1[N+](=O)[O-] ZINC000408284367 434559852 /nfs/dbraw/zinc/55/98/52/434559852.db2.gz XQVZBNGDAXIJHH-VNHYZAJKSA-N 1 1 318.421 3.140 20 5 DGBDMO CCn1cc(C[N@@H+](C)C/C(C)=C\c2cccc([N+](=O)[O-])c2)cn1 ZINC000527304109 295090402 /nfs/dbraw/zinc/09/04/02/295090402.db2.gz FABAHXMHBBWBIX-ZSOIEALJSA-N 1 1 314.389 3.347 20 5 DGBDMO Cc1cccc([N+](=O)[O-])c1NC(=O)C[N@H+]1[C@@H](C)CCC1(C)C ZINC000452020456 434581869 /nfs/dbraw/zinc/58/18/69/434581869.db2.gz ZUXSOQSOZBUOEW-LBPRGKRZSA-N 1 1 305.378 3.105 20 5 DGBDMO Cc1ccc([N+](=O)[O-])c(NCCC[N@@H+]2C[C@H](C)C[C@H](C)C2)n1 ZINC000360677149 434664828 /nfs/dbraw/zinc/66/48/28/434664828.db2.gz VTJRLDLURARCJR-BETUJISGSA-N 1 1 306.410 3.078 20 5 DGBDMO Cc1ccc([N+](=O)[O-])c(NCC(C)(C)[N@H+]2CCC[C@@H](C)C2)n1 ZINC000360684953 434668151 /nfs/dbraw/zinc/66/81/51/434668151.db2.gz IIGCNOYYFSTSMI-GFCCVEGCSA-N 1 1 306.410 3.221 20 5 DGBDMO C[N@@H+](Cc1nc(-c2cccc([N+](=O)[O-])c2)no1)C1CC(C)(C)C1 ZINC000459736358 434687062 /nfs/dbraw/zinc/68/70/62/434687062.db2.gz GBIYGACOZPFJKV-UHFFFAOYSA-N 1 1 316.361 3.265 20 5 DGBDMO CC(C)c1ccc(C[N@@H+](C)CCCn2ccnc2)cc1[N+](=O)[O-] ZINC000349405065 434705554 /nfs/dbraw/zinc/70/55/54/434705554.db2.gz HIUIQGHMBZONHV-UHFFFAOYSA-N 1 1 316.405 3.437 20 5 DGBDMO O=[N+]([O-])c1ccccc1C[N@H+]1Cc2ccc(O)cc2C2(CC2)C1 ZINC000361016388 434766791 /nfs/dbraw/zinc/76/67/91/434766791.db2.gz IBCOVPLVBYOCSY-UHFFFAOYSA-N 1 1 310.353 3.348 20 5 DGBDMO O=[N+]([O-])c1ccccc1C[N@@H+]1Cc2ccc(O)cc2C2(CC2)C1 ZINC000361016388 434766796 /nfs/dbraw/zinc/76/67/96/434766796.db2.gz IBCOVPLVBYOCSY-UHFFFAOYSA-N 1 1 310.353 3.348 20 5 DGBDMO C[C@H]1CCC[N@@H+](CCC(=O)Nc2ccc([N+](=O)[O-])cc2)[C@H]1C ZINC000411306484 434757058 /nfs/dbraw/zinc/75/70/58/434757058.db2.gz GEAWZQCGFUJODQ-STQMWFEESA-N 1 1 305.378 3.044 20 5 DGBDMO CC[N@@H+](CC(=O)Nc1ccccc1[N+](=O)[O-])[C@H]1CCCC[C@@H]1C ZINC000444675528 434787195 /nfs/dbraw/zinc/78/71/95/434787195.db2.gz MKPYLDHATXUBOX-ZFWWWQNUSA-N 1 1 319.405 3.434 20 5 DGBDMO Cc1ccc([N+](=O)[O-])cc1[C@H](C)[N@H+]1CCCc2c(cnn2C)C1 ZINC000411844708 434834587 /nfs/dbraw/zinc/83/45/87/434834587.db2.gz CXIYAAZWLGSJEU-ZDUSSCGKSA-N 1 1 314.389 3.146 20 5 DGBDMO CCCC[C@H](C)[N@@H+](C)CC(=O)Nc1cc([N+](=O)[O-])ccc1C ZINC000521693307 434893005 /nfs/dbraw/zinc/89/30/05/434893005.db2.gz KFCURZAIXJXIFZ-ZDUSSCGKSA-N 1 1 307.394 3.352 20 5 DGBDMO Cc1cc(N2CCC[N@H+](C3CCCC3)CC2)c(F)cc1[N+](=O)[O-] ZINC000461960543 434894390 /nfs/dbraw/zinc/89/43/90/434894390.db2.gz UNMQTHZDEHPXRM-UHFFFAOYSA-N 1 1 321.396 3.497 20 5 DGBDMO C[C@@H]1C[C@H](Nc2ccc([N+](=O)[O-])c(OC(F)F)c2)CC[N@H+]1C ZINC000462888869 434935423 /nfs/dbraw/zinc/93/54/23/434935423.db2.gz HUVQBYABXWACND-MWLCHTKSSA-N 1 1 315.320 3.091 20 5 DGBDMO CCCC[N@H+]1CCCC[C@@H]1CNc1nccc(C)c1[N+](=O)[O-] ZINC000522417775 434922944 /nfs/dbraw/zinc/92/29/44/434922944.db2.gz PENULMWGYZKRIP-CQSZACIVSA-N 1 1 306.410 3.365 20 5 DGBDMO O=[N+]([O-])c1cc(F)c(C[NH+]2CCc3ccccc3CC2)c(F)c1 ZINC000556811798 435026626 /nfs/dbraw/zinc/02/66/26/435026626.db2.gz DPJGHXMMIOKZPB-UHFFFAOYSA-N 1 1 318.323 3.474 20 5 DGBDMO CC(C)[N@H+]1CC[C@@H](CNc2nccc3ccc([N+](=O)[O-])cc32)C1 ZINC000556842655 435030190 /nfs/dbraw/zinc/03/01/90/435030190.db2.gz IKPVJVGBDNHWPS-ZDUSSCGKSA-N 1 1 314.389 3.285 20 5 DGBDMO C[C@@]1(CCCO)CCC[N@H+]1Cc1c(Cl)cccc1[N+](=O)[O-] ZINC000492414610 434978119 /nfs/dbraw/zinc/97/81/19/434978119.db2.gz BQVZZZCWLBNWCK-HNNXBMFYSA-N 1 1 312.797 3.375 20 5 DGBDMO COc1ccc(OCC[N@H+]2CCC[C@@H]2C(C)(C)C)c([N+](=O)[O-])c1 ZINC000464743690 434996355 /nfs/dbraw/zinc/99/63/55/434996355.db2.gz ZSFWHIDNZAFMTD-MRXNPFEDSA-N 1 1 322.405 3.493 20 5 DGBDMO CC(C)OC1CC[NH+](Cc2nc3cc([N+](=O)[O-])ccc3o2)CC1 ZINC000530962725 435064422 /nfs/dbraw/zinc/06/44/22/435064422.db2.gz JIZUIOAYMYVNKZ-UHFFFAOYSA-N 1 1 319.361 3.125 20 5 DGBDMO C[C@H]1CC[N@H+](CCN[C@@H]2CC(C)(C)c3ccc([N+](=O)[O-])cc32)C1 ZINC000578301197 435073594 /nfs/dbraw/zinc/07/35/94/435073594.db2.gz LHUWOAHANUNIMT-SUMWQHHRSA-N 1 1 317.433 3.249 20 5 DGBDMO C[C@H]1CC[N@@H+](CCN[C@@H]2CC(C)(C)c3ccc([N+](=O)[O-])cc32)C1 ZINC000578301197 435073598 /nfs/dbraw/zinc/07/35/98/435073598.db2.gz LHUWOAHANUNIMT-SUMWQHHRSA-N 1 1 317.433 3.249 20 5 DGBDMO CCC[C@@H]1CCC[N@@H+](CC(=O)Nc2ccc([N+](=O)[O-])cc2C)C1 ZINC000466463730 435078811 /nfs/dbraw/zinc/07/88/11/435078811.db2.gz GXWHZGRWXHHJHH-CQSZACIVSA-N 1 1 319.405 3.354 20 5 DGBDMO CCC[C@@H]1CCC[N@H+]([C@@H](C)C(=O)Nc2ccccc2[N+](=O)[O-])C1 ZINC000466489263 435078983 /nfs/dbraw/zinc/07/89/83/435078983.db2.gz AJHGAGAMHMURIX-UONOGXRCSA-N 1 1 319.405 3.434 20 5 DGBDMO O=[N+]([O-])c1ccc(OCC[N@H+]2CCC[C@H]2c2ccccn2)cc1 ZINC000530724507 435048785 /nfs/dbraw/zinc/04/87/85/435048785.db2.gz VBVFQVKKUIYQIF-KRWDZBQOSA-N 1 1 313.357 3.206 20 5 DGBDMO CC[C@@H]1C[C@H](C)C[N@H+]1CCC(=O)Nc1ccc([N+](=O)[O-])cc1C ZINC000467205086 435111064 /nfs/dbraw/zinc/11/10/64/435111064.db2.gz FYXFBZZXKALHRD-GXTWGEPZSA-N 1 1 319.405 3.352 20 5 DGBDMO Cc1ccc([N+](=O)[O-])cc1[C@@H](C)[NH2+]CC1(N(C)C)CCCC1 ZINC000531689095 435111884 /nfs/dbraw/zinc/11/18/84/435111884.db2.gz SSSZJLQEYDJVMB-CQSZACIVSA-N 1 1 305.422 3.428 20 5 DGBDMO CC[N@@H+]1CCCC[C@H]1CN[C@@H](C)c1cc([N+](=O)[O-])ccc1C ZINC000531714972 435113002 /nfs/dbraw/zinc/11/30/02/435113002.db2.gz IIRNEVBJPFWIBF-HOCLYGCPSA-N 1 1 305.422 3.428 20 5 DGBDMO CC[N@H+]1CCCC[C@H]1CN[C@@H](C)c1cc([N+](=O)[O-])ccc1C ZINC000531714972 435113004 /nfs/dbraw/zinc/11/30/04/435113004.db2.gz IIRNEVBJPFWIBF-HOCLYGCPSA-N 1 1 305.422 3.428 20 5 DGBDMO CC(C)[N@H+](Cc1nc(-c2ccc([N+](=O)[O-])cc2)no1)CC1CC1 ZINC000561060694 435198126 /nfs/dbraw/zinc/19/81/26/435198126.db2.gz RMZDZVYSGPGTPC-UHFFFAOYSA-N 1 1 316.361 3.265 20 5 DGBDMO CC[N@H+]1CCN(c2ccc([N+](=O)[O-])c(OC(C)(C)C)c2)[C@@H](C)C1 ZINC000561359197 435213441 /nfs/dbraw/zinc/21/34/41/435213441.db2.gz WBUMGHQDTOQDBR-ZDUSSCGKSA-N 1 1 321.421 3.303 20 5 DGBDMO O=[N+]([O-])c1cc(Cl)ccc1CCNc1cc[nH+]cc1Cl ZINC000477143139 435259487 /nfs/dbraw/zinc/25/94/87/435259487.db2.gz ZXBFYXVONQHIMW-UHFFFAOYSA-N 1 1 312.156 3.373 20 5 DGBDMO O=[N+]([O-])c1cccc(C[N@H+](C[C@@H]2CCCC[C@@H]2O)C2CC2)c1 ZINC000514605713 435424093 /nfs/dbraw/zinc/42/40/93/435424093.db2.gz OPKQZNRSCASVPV-YOEHRIQHSA-N 1 1 304.390 3.110 20 5 DGBDMO CC[N@@H+](CCOc1ccc([N+](=O)[O-])cc1)[C@@H]1CCOC(C)(C)C1 ZINC000514943491 435451486 /nfs/dbraw/zinc/45/14/86/435451486.db2.gz DYMAGNASPASIRH-OAHLLOKOSA-N 1 1 322.405 3.253 20 5 DGBDMO CCCC[C@H](C)[N@@H+](C)CC(=O)N(C)c1ccc([N+](=O)[O-])cc1 ZINC000568697772 435462132 /nfs/dbraw/zinc/46/21/32/435462132.db2.gz ATTRAYJCMVVRBH-ZDUSSCGKSA-N 1 1 307.394 3.068 20 5 DGBDMO CC(C)[N@H+]1CC[C@H](CNc2nccc3c2cccc3[N+](=O)[O-])C1 ZINC000515367164 435479334 /nfs/dbraw/zinc/47/93/34/435479334.db2.gz WKFHFBLRYVJHTH-CYBMUJFWSA-N 1 1 314.389 3.285 20 5 DGBDMO Cc1cc(C[NH2+]Cc2nc3cc([N+](=O)[O-])ccc3[nH]2)c(C)s1 ZINC000514838274 435441440 /nfs/dbraw/zinc/44/14/40/435441440.db2.gz YBEDTEIGIYCXEZ-UHFFFAOYSA-N 1 1 316.386 3.439 20 5 DGBDMO C[C@@H]1C[C@H](C)C[N@@H+]1Cc1cn(C)nc1-c1ccc([N+](=O)[O-])cc1 ZINC000538717489 435514470 /nfs/dbraw/zinc/51/44/70/435514470.db2.gz FBRLCSDFIZNIRO-QWHCGFSZSA-N 1 1 314.389 3.226 20 5 DGBDMO CC(C)C[C@H]1COCC[N@@H+]1C/C=C\c1ccccc1[N+](=O)[O-] ZINC000538731182 435518722 /nfs/dbraw/zinc/51/87/22/435518722.db2.gz KZEKRYXREOYVGS-WRLNGNIRSA-N 1 1 304.390 3.355 20 5 DGBDMO CC(C)C[C@H]1COCC[N@H+]1C/C=C\c1ccccc1[N+](=O)[O-] ZINC000538731182 435518727 /nfs/dbraw/zinc/51/87/27/435518727.db2.gz KZEKRYXREOYVGS-WRLNGNIRSA-N 1 1 304.390 3.355 20 5 DGBDMO CCC[N@H+](Cc1ccc([N+](=O)[O-])cc1)[C@@H](CC)C(=O)OCC ZINC000483443219 435520320 /nfs/dbraw/zinc/52/03/20/435520320.db2.gz RNKNNHDFDJKQTA-HNNXBMFYSA-N 1 1 308.378 3.149 20 5 DGBDMO CCC[N@@H+](Cc1ccc([N+](=O)[O-])cc1)[C@@H](CC)C(=O)OCC ZINC000483443219 435520323 /nfs/dbraw/zinc/52/03/23/435520323.db2.gz RNKNNHDFDJKQTA-HNNXBMFYSA-N 1 1 308.378 3.149 20 5 DGBDMO CC[N@H+]1CCCN(c2c(Cl)cc(Cl)cc2[N+](=O)[O-])CC1 ZINC000569370047 435528285 /nfs/dbraw/zinc/52/82/85/435528285.db2.gz WWWXSKONRHSIBN-UHFFFAOYSA-N 1 1 318.204 3.434 20 5 DGBDMO CCN1CC[C@H]([NH2+]CCCCc2ccc([N+](=O)[O-])cc2)[C@@H](C)C1 ZINC000539089490 435537313 /nfs/dbraw/zinc/53/73/13/435537313.db2.gz SLRUGJHDBHQZEF-YJBOKZPZSA-N 1 1 319.449 3.237 20 5 DGBDMO CC(C)c1ccc(C[N@@H+]2CCC[C@H]([C@@H](C)O)C2)cc1[N+](=O)[O-] ZINC000540962182 435629743 /nfs/dbraw/zinc/62/97/43/435629743.db2.gz VBQKGDMOTOIEFZ-HIFRSBDPSA-N 1 1 306.406 3.311 20 5 DGBDMO C[N@@H+](CCc1cccc([N+](=O)[O-])c1)CCc1ccccc1F ZINC000570810718 435651734 /nfs/dbraw/zinc/65/17/34/435651734.db2.gz FIWDDYWIZWYLNB-UHFFFAOYSA-N 1 1 302.349 3.451 20 5 DGBDMO C[C@@H]1C[C@H](C)[N@@H+]1CCc1ncc(-c2cccc([N+](=O)[O-])c2)o1 ZINC000548096944 435670080 /nfs/dbraw/zinc/67/00/80/435670080.db2.gz YDPDZVYTDABBGC-TXEJJXNPSA-N 1 1 301.346 3.275 20 5 DGBDMO O=[N+]([O-])c1cccnc1NC[C@@H]1CCC[N@H+]1CC1CCCCC1 ZINC000520243404 435730388 /nfs/dbraw/zinc/73/03/88/435730388.db2.gz BWZVSNXVIOWUNF-HNNXBMFYSA-N 1 1 318.421 3.446 20 5 DGBDMO Cc1ccc([N+](=O)[O-])cc1[C@@H](C)[NH2+][C@@H](c1nccn1C)C1CC1 ZINC000552086809 435880987 /nfs/dbraw/zinc/88/09/87/435880987.db2.gz QYSWCXRYWAHTAC-MLGOLLRUSA-N 1 1 314.389 3.439 20 5 DGBDMO Cc1ccc([N+](=O)[O-])cc1[C@H](C)[NH2+][C@@H](c1nccn1C)C1CC1 ZINC000552086807 435880999 /nfs/dbraw/zinc/88/09/99/435880999.db2.gz QYSWCXRYWAHTAC-BLLLJJGKSA-N 1 1 314.389 3.439 20 5 DGBDMO C/C(=C\c1cccc([N+](=O)[O-])c1)C[N@@H+]1CCC[C@H]([C@H](C)O)C1 ZINC000530340415 313359858 /nfs/dbraw/zinc/35/98/58/313359858.db2.gz IMJPMZCKGPWZKD-OOFRTQJVSA-N 1 1 304.390 3.091 20 5 DGBDMO C[C@]1(CO)CCC[N@H+]1Cc1ccc(-c2ccccc2[N+](=O)[O-])o1 ZINC000530517651 313379350 /nfs/dbraw/zinc/37/93/50/313379350.db2.gz WJCHKPJBBCMRAG-QGZVFWFLSA-N 1 1 316.357 3.202 20 5 DGBDMO CCC1(C[N@H+]2CCc3c(cccc3[N+](=O)[O-])C2)CCOCC1 ZINC000541901573 314048091 /nfs/dbraw/zinc/04/80/91/314048091.db2.gz GZCVTAIHAXLAIH-UHFFFAOYSA-N 1 1 304.390 3.160 20 5 DGBDMO C[C@@H](C(=O)Nc1ccc([N+](=O)[O-])cc1)[N@H+]1CC[C@H](C(C)(C)C)C1 ZINC000544188351 314179206 /nfs/dbraw/zinc/17/92/06/314179206.db2.gz YRIFKYCPKAHWLF-STQMWFEESA-N 1 1 319.405 3.290 20 5 DGBDMO O=[N+]([O-])c1ccc(C[N@H+](C[C@H]2CCCC[C@@H]2O)C2CC2)cc1 ZINC000565988844 315302557 /nfs/dbraw/zinc/30/25/57/315302557.db2.gz GKOTTZZSHODCCE-PBHICJAKSA-N 1 1 304.390 3.110 20 5 DGBDMO CCC[N@@H+](CCC(=O)Nc1cccc([N+](=O)[O-])c1C)C(C)C ZINC000576766357 316166196 /nfs/dbraw/zinc/16/61/96/316166196.db2.gz PINKBOJHJMWLTR-UHFFFAOYSA-N 1 1 307.394 3.352 20 5 DGBDMO CCOc1ccc([N+](=O)[O-])cc1C[N@@H+]1CCC(F)(F)[C@@H](C)C1 ZINC000577326390 316224614 /nfs/dbraw/zinc/22/46/14/316224614.db2.gz NBHYNCWLRDZJDL-NSHDSACASA-N 1 1 314.332 3.471 20 5 DGBDMO CCOc1ccc([N+](=O)[O-])cc1C[N@H+]1CCC(F)(F)[C@@H](C)C1 ZINC000577326390 316224617 /nfs/dbraw/zinc/22/46/17/316224617.db2.gz NBHYNCWLRDZJDL-NSHDSACASA-N 1 1 314.332 3.471 20 5 DGBDMO CCO[C@@H]1C[C@H]1[NH2+][C@H](c1ccccc1)c1cccc([N+](=O)[O-])c1 ZINC000577575871 316248672 /nfs/dbraw/zinc/24/86/72/316248672.db2.gz UDKAZSPKDRFRCN-KZNAEPCWSA-N 1 1 312.369 3.451 20 5 DGBDMO O=[N+]([O-])c1ccc([C@@H]2CCC[N@H+](C[C@@H]3CCCC[C@H]3O)C2)cc1 ZINC000582847908 324283688 /nfs/dbraw/zinc/28/36/88/324283688.db2.gz CEGMSBUWYCDXGX-SOLBZPMBSA-N 1 1 318.417 3.325 20 5 DGBDMO C[C@H]1CC[N@H+](Cc2nc3cc([N+](=O)[O-])ccc3[nH]2)CC12CCC2 ZINC000583791522 324397199 /nfs/dbraw/zinc/39/71/99/324397199.db2.gz GSOSLWYJWKBUDC-LBPRGKRZSA-N 1 1 314.389 3.483 20 5 DGBDMO C[C@H]1CC[N@@H+](Cc2nc3cc([N+](=O)[O-])ccc3[nH]2)CC12CCC2 ZINC000583791522 324397205 /nfs/dbraw/zinc/39/72/05/324397205.db2.gz GSOSLWYJWKBUDC-LBPRGKRZSA-N 1 1 314.389 3.483 20 5 DGBDMO C[C@H]1CC[C@H]([N@@H+](C)Cc2nc(-c3ccc([N+](=O)[O-])cc3)no2)C1 ZINC000429566444 533749702 /nfs/dbraw/zinc/74/97/02/533749702.db2.gz KBARANWAAIHXLO-FZMZJTMJSA-N 1 1 316.361 3.265 20 5 DGBDMO Cc1c(CN(C)CC[C@H]2CCCC[N@H+]2C)cccc1[N+](=O)[O-] ZINC000173959931 533842641 /nfs/dbraw/zinc/84/26/41/533842641.db2.gz WYHFKPDKJNVQKD-MRXNPFEDSA-N 1 1 305.422 3.209 20 5 DGBDMO C[C@@H]1C[C@H](Nc2ccc([N+](=O)[O-])c3ncccc23)C[N@H+]1C1CC1 ZINC000413181425 533968407 /nfs/dbraw/zinc/96/84/07/533968407.db2.gz FIAQQNKWUVNVKJ-NEPJUHHUSA-N 1 1 312.373 3.180 20 5 DGBDMO C[C@@H]1CN(C/C=C/c2ccccc2[N+](=O)[O-])CC[N@H+](C2CC2)C1 ZINC000295576043 534449108 /nfs/dbraw/zinc/44/91/08/534449108.db2.gz BAMGOUFBCDOJBW-CSPWOOARSA-N 1 1 315.417 3.024 20 5 DGBDMO C[N@H+](CCOCc1ccccc1)Cc1ccc([N+](=O)[O-])cc1F ZINC000154652727 522899530 /nfs/dbraw/zinc/89/95/30/522899530.db2.gz QSEWCXAEICGMFS-UHFFFAOYSA-N 1 1 318.348 3.383 20 5 DGBDMO C[N@@H+](CCOCc1ccccc1)Cc1ccc([N+](=O)[O-])cc1F ZINC000154652727 522899537 /nfs/dbraw/zinc/89/95/37/522899537.db2.gz QSEWCXAEICGMFS-UHFFFAOYSA-N 1 1 318.348 3.383 20 5 DGBDMO Cc1[nH+]ccn1-c1ccc(NCc2ccc(C)c([N+](=O)[O-])c2)cn1 ZINC000324393035 534766935 /nfs/dbraw/zinc/76/69/35/534766935.db2.gz QRIUGQBJHIRBTL-UHFFFAOYSA-N 1 1 323.356 3.404 20 5 DGBDMO CC(C)([NH2+]Cc1cnn(CC(F)F)c1)c1ccccc1[N+](=O)[O-] ZINC000292763658 527296605 /nfs/dbraw/zinc/29/66/05/527296605.db2.gz SCLXGIUNNVEWGM-UHFFFAOYSA-N 1 1 324.331 3.081 20 5 DGBDMO CC(C)[C@H]1CCC[N@H+]([C@@H](C)C(=O)Nc2ccc([N+](=O)[O-])cc2)C1 ZINC000444774478 527777829 /nfs/dbraw/zinc/77/78/29/527777829.db2.gz WNDHIAXAWKBLRV-KBPBESRZSA-N 1 1 319.405 3.290 20 5 DGBDMO CC(C)[N@@H+](C)CCCNc1ccc2ncccc2c1[N+](=O)[O-] ZINC000319204979 528818588 /nfs/dbraw/zinc/81/85/88/528818588.db2.gz ZTXAKDYHYFQIJY-UHFFFAOYSA-N 1 1 302.378 3.285 20 5 DGBDMO CC(C)[N@@H+](CCn1cc(Cl)cn1)Cc1ccc([N+](=O)[O-])cc1 ZINC000459305854 535075729 /nfs/dbraw/zinc/07/57/29/535075729.db2.gz PELRKUGWVGPFHA-UHFFFAOYSA-N 1 1 322.796 3.355 20 5 DGBDMO CC[C@@H]1CO[C@H](C)C[N@@H+]1C/C(C)=C\c1cccc([N+](=O)[O-])c1 ZINC000470174828 535851382 /nfs/dbraw/zinc/85/13/82/535851382.db2.gz WHJCAXIEPWUWJZ-PSIJOBTASA-N 1 1 304.390 3.497 20 5 DGBDMO CC[C@@H]1CO[C@H](C)C[N@H+]1C/C(C)=C\c1cccc([N+](=O)[O-])c1 ZINC000470174828 535851385 /nfs/dbraw/zinc/85/13/85/535851385.db2.gz WHJCAXIEPWUWJZ-PSIJOBTASA-N 1 1 304.390 3.497 20 5 DGBDMO COc1ccc(C[N@H+]2C[C@@H](C3CC3)[C@@H]2C2CC2)cc1[N+](=O)[O-] ZINC000449534214 536861508 /nfs/dbraw/zinc/86/15/08/536861508.db2.gz GIFOKSZJRLONCI-YOEHRIQHSA-N 1 1 302.374 3.224 20 5 DGBDMO C[N@@H+](Cc1ccccc1)[C@@H]1CCN(c2ccc([N+](=O)[O-])cc2)C1 ZINC000742422993 574999329 /nfs/dbraw/zinc/99/93/29/574999329.db2.gz HAUGLWATQLTIAQ-GOSISDBHSA-N 1 1 311.385 3.306 20 5 DGBDMO CC(C)C[N@@H+](CCc1ccc(F)cc1)Cn1cc([N+](=O)[O-])cn1 ZINC000746066301 575430253 /nfs/dbraw/zinc/43/02/53/575430253.db2.gz UAHNORPJMHNRRQ-UHFFFAOYSA-N 1 1 320.368 3.089 20 5 DGBDMO Cc1ccc(N2CC[NH+](Cc3ccsc3)CC2)c([N+](=O)[O-])c1 ZINC000747204164 575505435 /nfs/dbraw/zinc/50/54/35/575505435.db2.gz RPQWEAPCANWGIE-UHFFFAOYSA-N 1 1 317.414 3.287 20 5 DGBDMO Cc1cc(NC[C@H]2CC[N@H+](C3CC3)C2)c(Cl)cc1[N+](=O)[O-] ZINC000747209988 575506248 /nfs/dbraw/zinc/50/62/48/575506248.db2.gz PYNGLSNWBIBIAW-LLVKDONJSA-N 1 1 309.797 3.453 20 5 DGBDMO Cc1nn(C[N@H+](C)[C@H]2CCC[C@@H](C)C2)c2ncc([N+](=O)[O-])cc12 ZINC000749940944 575690813 /nfs/dbraw/zinc/69/08/13/575690813.db2.gz MFIHECVJFCVCHK-YPMHNXCESA-N 1 1 317.393 3.116 20 5 DGBDMO Cc1nn(C[N@@H+]2CCC[C@@H]2CC(C)C)c2ncc([N+](=O)[O-])cc12 ZINC000749949218 575691200 /nfs/dbraw/zinc/69/12/00/575691200.db2.gz LYCKSEXRWBPDPS-CYBMUJFWSA-N 1 1 317.393 3.116 20 5 DGBDMO C[N@@H+](Cn1ncc2cc([N+](=O)[O-])ccc21)C(C1CC1)C1CC1 ZINC000750604577 575741737 /nfs/dbraw/zinc/74/17/37/575741737.db2.gz VVBXVNLZENTZQX-UHFFFAOYSA-N 1 1 300.362 3.022 20 5 DGBDMO C[C@H]1C[N@@H+](Cn2cc(-c3ccc([N+](=O)[O-])cc3)cn2)C[C@H]1C ZINC000751926641 575812180 /nfs/dbraw/zinc/81/21/80/575812180.db2.gz ICTZDSVWTDXKRH-BETUJISGSA-N 1 1 300.362 3.004 20 5 DGBDMO CC(C)[C@H](C)[N@@H+](C)CC(=O)Nc1ccc(Cl)c([N+](=O)[O-])c1 ZINC000728052384 576160384 /nfs/dbraw/zinc/16/03/84/576160384.db2.gz CTUNNMDOEMFMIF-JTQLQIEISA-N 1 1 313.785 3.163 20 5 DGBDMO O=[N+]([O-])c1ccc([C@@H](O)C[N@H+]2CCC[C@H](C3CCC3)C2)cc1 ZINC000852674151 620639716 /nfs/dbraw/zinc/63/97/16/620639716.db2.gz XWXQDPHORJFCIW-RDJZCZTQSA-N 1 1 304.390 3.140 20 5 DGBDMO CC[N@@H+](Cn1cc([N+](=O)[O-])c(-c2ccccn2)n1)C1CCCC1 ZINC000853490378 620701228 /nfs/dbraw/zinc/70/12/28/620701228.db2.gz BZSMUKDNDOLLQY-UHFFFAOYSA-N 1 1 315.377 3.075 20 5 DGBDMO CC[C@@H](C)C[N@@H+](CC)Cn1cc([N+](=O)[O-])c(-c2ccccn2)n1 ZINC000853501559 620702529 /nfs/dbraw/zinc/70/25/29/620702529.db2.gz VVTYHJMRHHSTEX-CYBMUJFWSA-N 1 1 317.393 3.179 20 5 DGBDMO O=[N+]([O-])c1ccc(-c2noc([C@H]3CC[N@@H+]3C3CCCC3)n2)cc1 ZINC000923760988 620739404 /nfs/dbraw/zinc/73/94/04/620739404.db2.gz NVWANQOXCRVVFD-CQSZACIVSA-N 1 1 314.345 3.334 20 5 DGBDMO O=[N+]([O-])c1ccc(-c2noc([C@H]3CC[N@H+]3C3CCCC3)n2)cc1 ZINC000923760988 620739407 /nfs/dbraw/zinc/73/94/07/620739407.db2.gz NVWANQOXCRVVFD-CQSZACIVSA-N 1 1 314.345 3.334 20 5 DGBDMO CCC[N@H+]1CC[C@H](CNCc2ccc(Cl)cc2[N+](=O)[O-])C1 ZINC000892668846 618131754 /nfs/dbraw/zinc/13/17/54/618131754.db2.gz RJGHMMKGSNUCFJ-GFCCVEGCSA-N 1 1 311.813 3.070 20 5 DGBDMO CC1=NO[C@H](C[NH2+]Cc2cc(Cl)cc(Cl)c2[N+](=O)[O-])C1 ZINC000895303770 618592284 /nfs/dbraw/zinc/59/22/84/618592284.db2.gz CRSWBTSCJZSWNR-JTQLQIEISA-N 1 1 318.160 3.156 20 5 DGBDMO O=[N+]([O-])c1cc(C(F)(F)F)ccc1C[N@H+]1CC[C@H](CF)C1 ZINC000895569036 618801499 /nfs/dbraw/zinc/80/14/99/618801499.db2.gz RDCVUMXRJXCJNW-SECBINFHSA-N 1 1 306.259 3.405 20 5 DGBDMO CCCN1CCC([NH2+]C[C@H](C)c2ccccc2[N+](=O)[O-])CC1 ZINC000897463913 619130622 /nfs/dbraw/zinc/13/06/22/619130622.db2.gz CGGDOIVDNFDVCW-AWEZNQCLSA-N 1 1 305.422 3.162 20 5 DGBDMO CC(C)N1CCC([NH2+]C[C@@H](C)c2ccccc2[N+](=O)[O-])CC1 ZINC000897463944 619130658 /nfs/dbraw/zinc/13/06/58/619130658.db2.gz CZCSFGDKJWTEGW-CQSZACIVSA-N 1 1 305.422 3.161 20 5 DGBDMO CCc1[nH+]ccn1Cc1c(Br)cccc1[N+](=O)[O-] ZINC000901527518 619511334 /nfs/dbraw/zinc/51/13/34/619511334.db2.gz GNVKJJHVDJLLKR-UHFFFAOYSA-N 1 1 310.151 3.165 20 5 DGBDMO CC[C@@H]([NH2+][C@@H](c1nncn1C)C(C)C)c1cccc([N+](=O)[O-])c1 ZINC000903061594 619708281 /nfs/dbraw/zinc/70/82/81/619708281.db2.gz ORJRCLLZDAAZMW-HUUCEWRRSA-N 1 1 317.393 3.161 20 5 DGBDMO C[C@@H](C[NH2+][C@H]1CCCc2c[nH]nc21)c1ccccc1[N+](=O)[O-] ZINC000903246160 619743505 /nfs/dbraw/zinc/74/35/05/619743505.db2.gz RQFJWNFEJKRNQN-FZMZJTMJSA-N 1 1 300.362 3.089 20 5 DGBDMO C[C@H](C[NH2+][C@H]1CCCc2[nH]ncc21)c1ccccc1[N+](=O)[O-] ZINC000903244879 619743514 /nfs/dbraw/zinc/74/35/14/619743514.db2.gz FWPNTXCRAGLOID-RISCZKNCSA-N 1 1 300.362 3.089 20 5 DGBDMO C[C@H](C[NH2+][C@@H]1CCCc2c[nH]nc21)c1ccccc1[N+](=O)[O-] ZINC000903246159 619743709 /nfs/dbraw/zinc/74/37/09/619743709.db2.gz RQFJWNFEJKRNQN-BXUZGUMPSA-N 1 1 300.362 3.089 20 5 DGBDMO CCC[N@H+]1CCC[C@@H](C(=O)Nc2c(C)ccc([N+](=O)[O-])c2C)C1 ZINC000908269810 620197391 /nfs/dbraw/zinc/19/73/91/620197391.db2.gz WCZFRCYOOWSYKA-CQSZACIVSA-N 1 1 319.405 3.272 20 5 DGBDMO COc1ccc(C[NH2+][C@H](C)c2c(C)noc2C)cc1[N+](=O)[O-] ZINC000113957930 620965020 /nfs/dbraw/zinc/96/50/20/620965020.db2.gz IYTVDPVCPKLKKY-SECBINFHSA-N 1 1 305.334 3.059 20 5 DGBDMO CCOc1cncc(C[NH2+]Cc2cc([N+](=O)[O-])ccc2Cl)c1 ZINC000856772868 621019105 /nfs/dbraw/zinc/01/91/05/621019105.db2.gz INPRYKBAFWAQQC-UHFFFAOYSA-N 1 1 321.764 3.332 20 5 DGBDMO O=[N+]([O-])c1ccccc1C[N@@H+]1CCC[C@](O)(c2ccccc2)C1 ZINC000859583071 621294643 /nfs/dbraw/zinc/29/46/43/621294643.db2.gz PZBFQRYBHLRWDL-GOSISDBHSA-N 1 1 312.369 3.078 20 5 DGBDMO C[N@@H+](CCC(=O)Nc1cc([N+](=O)[O-])ccc1F)C1CC(C)(C)C1 ZINC000839191376 621346999 /nfs/dbraw/zinc/34/69/99/621346999.db2.gz ISMFADMRVKSTKO-UHFFFAOYSA-N 1 1 323.368 3.183 20 5 DGBDMO CC(C)[C@@H](C)[N@@H+](C)CC(=O)Nc1cc(Cl)ccc1[N+](=O)[O-] ZINC000839461076 621372310 /nfs/dbraw/zinc/37/23/10/621372310.db2.gz ZHHXLHWBMSMAIN-SNVBAGLBSA-N 1 1 313.785 3.163 20 5 DGBDMO O=[N+]([O-])c1ccccc1C[N@H+](C[C@@H](O)c1ccccc1)C1CC1 ZINC000117899154 621466119 /nfs/dbraw/zinc/46/61/19/621466119.db2.gz WXWUVPISQMUOMF-GOSISDBHSA-N 1 1 312.369 3.293 20 5 DGBDMO CCC1(CC)CC[N@@H+](Cn2ncc3ccc([N+](=O)[O-])cc32)C1 ZINC000755930017 621604363 /nfs/dbraw/zinc/60/43/63/621604363.db2.gz GAGGVWQCHXASRM-UHFFFAOYSA-N 1 1 302.378 3.414 20 5 DGBDMO O=[N+]([O-])c1ccc(Cl)c(C[NH2+]Cc2[nH]nc3ccccc32)c1 ZINC000756900256 621671631 /nfs/dbraw/zinc/67/16/31/621671631.db2.gz MPMHOAPPFXVNGF-UHFFFAOYSA-N 1 1 316.748 3.414 20 5 DGBDMO Cc1ccc(-c2noc([C@H]([NH3+])CCC(C)C)n2)cc1[N+](=O)[O-] ZINC000863659053 621695811 /nfs/dbraw/zinc/69/58/11/621695811.db2.gz AATUAPOVCKQHBH-GFCCVEGCSA-N 1 1 304.350 3.389 20 5 DGBDMO Cc1cc([N+](=O)[O-])ccc1-c1noc([C@H]([NH3+])CCC(C)C)n1 ZINC000863661278 621695984 /nfs/dbraw/zinc/69/59/84/621695984.db2.gz MDKQPCUVHVOQAH-CYBMUJFWSA-N 1 1 304.350 3.389 20 5 DGBDMO C[C@H]1C[N@H+](C2CC2)C[C@@H]1Nc1nc2ccc([N+](=O)[O-])cc2s1 ZINC000757797341 621740073 /nfs/dbraw/zinc/74/00/73/621740073.db2.gz VINCTHCUNHZYHP-ZANVPECISA-N 1 1 318.402 3.099 20 5 DGBDMO CC[C@H](c1ccccc1)[C@@H]1CCC[N@H+]1Cn1nccc1[N+](=O)[O-] ZINC000120221959 621810432 /nfs/dbraw/zinc/81/04/32/621810432.db2.gz BPJOZXHIJKFQPT-CVEARBPZSA-N 1 1 314.389 3.407 20 5 DGBDMO O=[N+]([O-])c1cccc([C@@H](O)C[N@H+]2CCCC23CCCCC3)c1 ZINC000759394224 621852664 /nfs/dbraw/zinc/85/26/64/621852664.db2.gz BBRYGMQXDQXGQO-INIZCTEOSA-N 1 1 304.390 3.427 20 5 DGBDMO Cc1cc(C)c(COc2ccc(C=O)cc2[N+](=O)[O-])c(C)[nH+]1 ZINC000865345644 621898111 /nfs/dbraw/zinc/89/81/11/621898111.db2.gz FFGGRQPHEKPBHY-UHFFFAOYSA-N 1 1 300.314 3.307 20 5 DGBDMO Cc1ccc(C[NH2+]Cc2nc3c(s2)CCC3)cc1[N+](=O)[O-] ZINC000865787708 621995871 /nfs/dbraw/zinc/99/58/71/621995871.db2.gz RIFYLNCNGULHAO-UHFFFAOYSA-N 1 1 303.387 3.138 20 5 DGBDMO Cc1nn(C[N@H+]2CCC[C@H]2C2CCC2)c2cc([N+](=O)[O-])ccc12 ZINC000761289239 621999443 /nfs/dbraw/zinc/99/94/43/621999443.db2.gz FIOITGYSAGCXGW-INIZCTEOSA-N 1 1 314.389 3.475 20 5 DGBDMO CC[C@@H]1C[C@H](C)C[N@H+]1Cn1nc(C)c2ccc([N+](=O)[O-])cc21 ZINC000761290346 621999510 /nfs/dbraw/zinc/99/95/10/621999510.db2.gz IDOOPVHMBGARBI-WCQYABFASA-N 1 1 302.378 3.331 20 5 DGBDMO Cc1nn(C[N@H+](CC2CC2)C(C)C)c2cc([N+](=O)[O-])ccc12 ZINC000761288891 621999704 /nfs/dbraw/zinc/99/97/04/621999704.db2.gz WDZQOBXHDFKUNW-UHFFFAOYSA-N 1 1 302.378 3.331 20 5 DGBDMO C[N@H+]1CC[C@@H]2CN(c3ccc([N+](=O)[O-])cc3C(F)F)CC[C@H]21 ZINC000866209819 622066684 /nfs/dbraw/zinc/06/66/84/622066684.db2.gz VVBZOYWYIKJWBY-ZWNOBZJWSA-N 1 1 311.332 3.063 20 5 DGBDMO C[C@@H](c1cccc([N+](=O)[O-])c1)[N@@H+]1CCOc2cc(N)ccc2C1 ZINC000866691097 622156944 /nfs/dbraw/zinc/15/69/44/622156944.db2.gz LNFMZILDDYCCEL-LBPRGKRZSA-N 1 1 313.357 3.133 20 5 DGBDMO C[C@@H](c1cccc([N+](=O)[O-])c1)[N@H+]1CCOc2cc(N)ccc2C1 ZINC000866691097 622156946 /nfs/dbraw/zinc/15/69/46/622156946.db2.gz LNFMZILDDYCCEL-LBPRGKRZSA-N 1 1 313.357 3.133 20 5 DGBDMO CC[C@@H]1C[N@H+](Cn2nc(C)c3ccc([N+](=O)[O-])cc32)CCS1 ZINC000121230636 622163713 /nfs/dbraw/zinc/16/37/13/622163713.db2.gz DTJHUIWSGGYYLE-CYBMUJFWSA-N 1 1 320.418 3.038 20 5 DGBDMO CC[C@@H]1C[N@@H+](Cn2nc(C)c3ccc([N+](=O)[O-])cc32)CCS1 ZINC000121230636 622163715 /nfs/dbraw/zinc/16/37/15/622163715.db2.gz DTJHUIWSGGYYLE-CYBMUJFWSA-N 1 1 320.418 3.038 20 5 DGBDMO Cc1nn(C[N@H+]2CC[C@H](C)C3(CCCCC3)C2)cc1[N+](=O)[O-] ZINC000764955459 622235412 /nfs/dbraw/zinc/23/54/12/622235412.db2.gz OKTPGEZBHFKXAA-ZDUSSCGKSA-N 1 1 306.410 3.350 20 5 DGBDMO Cc1nn(C[N@@H+]2CC[C@H](C)C3(CCCCC3)C2)cc1[N+](=O)[O-] ZINC000764955459 622235413 /nfs/dbraw/zinc/23/54/13/622235413.db2.gz OKTPGEZBHFKXAA-ZDUSSCGKSA-N 1 1 306.410 3.350 20 5 DGBDMO Cc1nn(C[N@H+]2CCC[C@@H]2C2CCC2)c2ccc([N+](=O)[O-])cc12 ZINC000764970041 622236741 /nfs/dbraw/zinc/23/67/41/622236741.db2.gz DVOXVLQAOZMNHB-MRXNPFEDSA-N 1 1 314.389 3.475 20 5 DGBDMO Cc1nn(C[N@H+]2CCS[C@H](C)[C@H]2C)c2ccc([N+](=O)[O-])cc12 ZINC000765002497 622239212 /nfs/dbraw/zinc/23/92/12/622239212.db2.gz OPAJJIJNAFPBGW-VXGBXAGGSA-N 1 1 320.418 3.036 20 5 DGBDMO Cc1nn(C[N@@H+]2CCS[C@H](C)[C@H]2C)c2ccc([N+](=O)[O-])cc12 ZINC000765002497 622239213 /nfs/dbraw/zinc/23/92/13/622239213.db2.gz OPAJJIJNAFPBGW-VXGBXAGGSA-N 1 1 320.418 3.036 20 5 DGBDMO Cc1c([C@H](C)NC[C@H](C)[NH+]2CCCCC2)cccc1[N+](=O)[O-] ZINC000765253683 622253839 /nfs/dbraw/zinc/25/38/39/622253839.db2.gz KXKFHSPRKJUYNE-ZFWWWQNUSA-N 1 1 305.422 3.428 20 5 DGBDMO CC[N@H+]1C[C@H](C)N(Cc2cc([N+](=O)[O-])ccc2Cl)C[C@@H]1C ZINC000766255811 622315738 /nfs/dbraw/zinc/31/57/38/622315738.db2.gz XSVMRWSGZGPXAH-RYUDHWBXSA-N 1 1 311.813 3.163 20 5 DGBDMO Cc1nn(C[N@@H+]2CC[C@@H](C)[C@H](C)C2)c2ccc([N+](=O)[O-])cc12 ZINC000766375324 622325186 /nfs/dbraw/zinc/32/51/86/622325186.db2.gz UGMNKJBTEZJSMI-VXGBXAGGSA-N 1 1 302.378 3.188 20 5 DGBDMO C[C@H]1CC[N@@H+](Cn2cc(-c3ccc([N+](=O)[O-])cc3)cn2)C[C@H]1C ZINC000766380659 622325892 /nfs/dbraw/zinc/32/58/92/622325892.db2.gz KAYDNQINTLDDFQ-UONOGXRCSA-N 1 1 314.389 3.394 20 5 DGBDMO Cc1cc(C[NH+]2CCN(c3ccccc3[N+](=O)[O-])CC2)c(C)o1 ZINC000768162339 622442627 /nfs/dbraw/zinc/44/26/27/622442627.db2.gz BNQGBQKWPUKCLK-UHFFFAOYSA-N 1 1 315.373 3.127 20 5 DGBDMO C[C@@H]1CCCC[N@H+]1CCCCNc1ccnc(F)c1[N+](=O)[O-] ZINC000881810386 625568703 /nfs/dbraw/zinc/56/87/03/625568703.db2.gz QSOPVGKHUVBJGM-GFCCVEGCSA-N 1 1 310.373 3.195 20 5 DGBDMO C[N@@H+](Cc1c2ccccc2cc2ccccc21)[C@H]1CCNC1=O ZINC000770380043 622626663 /nfs/dbraw/zinc/62/66/63/622626663.db2.gz LEKDPBCYLCDOIB-IBGZPJMESA-N 1 1 304.393 3.313 20 5 DGBDMO CSc1ccc([N+](=O)[O-])cc1[C@@H](C)NCC[N@@H+](C)C(C)C ZINC000872031503 622762777 /nfs/dbraw/zinc/76/27/77/622762777.db2.gz PRFOTBSOINKTBR-GFCCVEGCSA-N 1 1 311.451 3.308 20 5 DGBDMO CSc1ccc([N+](=O)[O-])cc1[C@@H](C)[NH2+]CCN(C)C(C)C ZINC000872031503 622762781 /nfs/dbraw/zinc/76/27/81/622762781.db2.gz PRFOTBSOINKTBR-GFCCVEGCSA-N 1 1 311.451 3.308 20 5 DGBDMO CSc1ccc([N+](=O)[O-])cc1[C@H](C)N[C@@H]1CC[N@@H+](C)[C@H](C)C1 ZINC000872037672 622767703 /nfs/dbraw/zinc/76/77/03/622767703.db2.gz DOWYLZSLNPONGP-FRRDWIJNSA-N 1 1 323.462 3.450 20 5 DGBDMO CSc1ccc([N+](=O)[O-])cc1[C@H](C)[NH2+][C@@H]1CCN(C)[C@H](C)C1 ZINC000872037672 622767707 /nfs/dbraw/zinc/76/77/07/622767707.db2.gz DOWYLZSLNPONGP-FRRDWIJNSA-N 1 1 323.462 3.450 20 5 DGBDMO C[C@H](N[C@H]1C[C@@H](C)[N@H+](C2CC2)C1)c1c(F)cccc1[N+](=O)[O-] ZINC000872042054 622770713 /nfs/dbraw/zinc/77/07/13/622770713.db2.gz MIJZDQNBAOUOLA-WOPDTQHZSA-N 1 1 307.369 3.010 20 5 DGBDMO C[C@H]([NH2+][C@H]1C[C@@H](C)N(C2CC2)C1)c1c(F)cccc1[N+](=O)[O-] ZINC000872042054 622770717 /nfs/dbraw/zinc/77/07/17/622770717.db2.gz MIJZDQNBAOUOLA-WOPDTQHZSA-N 1 1 307.369 3.010 20 5 DGBDMO Cc1ccsc1[C@@H](CO)[NH2+][C@@H](C)c1c(F)cccc1[N+](=O)[O-] ZINC000872048218 622774577 /nfs/dbraw/zinc/77/45/77/622774577.db2.gz HNDGGZYRFICVSK-CMPLNLGQSA-N 1 1 324.377 3.488 20 5 DGBDMO C[C@H](NC[C@H]1CC[N@H+]1C1CCCC1)c1c(F)cccc1[N+](=O)[O-] ZINC000872089790 622799893 /nfs/dbraw/zinc/79/98/93/622799893.db2.gz FGSIXEFTDRVYQL-GXTWGEPZSA-N 1 1 321.396 3.401 20 5 DGBDMO C[C@H]([NH2+]C[C@H]1CCN1C1CCCC1)c1c(F)cccc1[N+](=O)[O-] ZINC000872089790 622799897 /nfs/dbraw/zinc/79/98/97/622799897.db2.gz FGSIXEFTDRVYQL-GXTWGEPZSA-N 1 1 321.396 3.401 20 5 DGBDMO CSc1ccc([N+](=O)[O-])cc1[C@@H](C)[NH2+][C@H](C)c1ccnn1C ZINC000872093435 622803003 /nfs/dbraw/zinc/80/30/03/622803003.db2.gz VDASUJMJAZSYDU-GHMZBOCLSA-N 1 1 320.418 3.462 20 5 DGBDMO C[C@H](c1ccccc1[N+](=O)[O-])[N@@H+]1CCN(C)c2ncccc2C1 ZINC000872317967 622890150 /nfs/dbraw/zinc/89/01/50/622890150.db2.gz DPUSEBGDTYJTGR-CYBMUJFWSA-N 1 1 312.373 3.003 20 5 DGBDMO C[C@H](c1ccccc1[N+](=O)[O-])[N@H+]1CCN(C)c2ncccc2C1 ZINC000872317967 622890156 /nfs/dbraw/zinc/89/01/56/622890156.db2.gz DPUSEBGDTYJTGR-CYBMUJFWSA-N 1 1 312.373 3.003 20 5 DGBDMO Cc1cccn2cc(C[NH2+]Cc3c(C)ccc([N+](=O)[O-])c3C)nc12 ZINC000873055068 623026468 /nfs/dbraw/zinc/02/64/68/623026468.db2.gz CNNQOBALDGELLB-UHFFFAOYSA-N 1 1 324.384 3.458 20 5 DGBDMO Cc1c(C[NH2+][C@H](c2ccccc2F)[C@H](C)O)cccc1[N+](=O)[O-] ZINC000873133377 623044676 /nfs/dbraw/zinc/04/46/76/623044676.db2.gz GIQROHSMAVZLKR-SJCJKPOMSA-N 1 1 318.348 3.254 20 5 DGBDMO Cc1[nH+]ccn1-c1ncccc1CNc1ccc([N+](=O)[O-])cc1 ZINC000774535241 623157143 /nfs/dbraw/zinc/15/71/43/623157143.db2.gz DYAHEUOKZXQOIF-UHFFFAOYSA-N 1 1 309.329 3.096 20 5 DGBDMO CCC[N@@H+](Cn1ncc2cc([N+](=O)[O-])cc(Cl)c21)C1CC1 ZINC000774625860 623167322 /nfs/dbraw/zinc/16/73/22/623167322.db2.gz HTCQUKLMKIHVFK-UHFFFAOYSA-N 1 1 308.769 3.430 20 5 DGBDMO Cc1ccc(C[N@@H+](C)C[C@H](O)c2ccc([N+](=O)[O-])cc2)cc1 ZINC000776270223 623404458 /nfs/dbraw/zinc/40/44/58/623404458.db2.gz AYTRBTGZPLNXFF-KRWDZBQOSA-N 1 1 300.358 3.069 20 5 DGBDMO C[N@H+](Cc1ccc(Cl)cc1)C[C@@H](O)c1ccc([N+](=O)[O-])cc1 ZINC000776271632 623405363 /nfs/dbraw/zinc/40/53/63/623405363.db2.gz MNSYQZAOVPQIBT-MRXNPFEDSA-N 1 1 320.776 3.414 20 5 DGBDMO O=[N+]([O-])c1ccc([C@@H](O)C[N@H+]2CCC[C@@H]2C2CCCC2)cc1 ZINC000776276882 623405724 /nfs/dbraw/zinc/40/57/24/623405724.db2.gz KYVYKQIDGKMLMI-SJORKVTESA-N 1 1 304.390 3.283 20 5 DGBDMO C[N@@H+](C[C@@H](O)c1ccc([N+](=O)[O-])cc1)[C@H]1CCc2ccccc21 ZINC000776276584 623406088 /nfs/dbraw/zinc/40/60/88/623406088.db2.gz NZYIOFZOVYIEHZ-ZWKOTPCHSA-N 1 1 312.369 3.248 20 5 DGBDMO O=[N+]([O-])c1ccc(C[NH2+]Cc2nc3c(s2)CCCC3)cc1 ZINC000776316960 623411576 /nfs/dbraw/zinc/41/15/76/623411576.db2.gz OVRODWVHMIULQM-UHFFFAOYSA-N 1 1 303.387 3.220 20 5 DGBDMO O=[N+]([O-])c1ccc([C@H](O)C[N@H+]2CCCC23CCCCC3)cc1 ZINC000776594123 623444932 /nfs/dbraw/zinc/44/49/32/623444932.db2.gz VWILAPNGSZXLPA-MRXNPFEDSA-N 1 1 304.390 3.427 20 5 DGBDMO C[C@@H]1CC[N@@H+](C[C@H](O)c2ccc([N+](=O)[O-])cc2)CC12CCC2 ZINC000776596966 623445123 /nfs/dbraw/zinc/44/51/23/623445123.db2.gz BDIHDQGKLTVMNK-CJNGLKHVSA-N 1 1 304.390 3.140 20 5 DGBDMO C[C@H]1CC[N@@H+](C[C@@H](O)c2ccc([N+](=O)[O-])cc2)CC12CCC2 ZINC000776596968 623445475 /nfs/dbraw/zinc/44/54/75/623445475.db2.gz BDIHDQGKLTVMNK-XJKSGUPXSA-N 1 1 304.390 3.140 20 5 DGBDMO CC(C)[C@@H]1CC[N@@H+](Cn2cc(-c3cccc([N+](=O)[O-])c3)cn2)C1 ZINC000777963838 623592308 /nfs/dbraw/zinc/59/23/08/623592308.db2.gz MUBLZXMGHIMJHM-OAHLLOKOSA-N 1 1 314.389 3.394 20 5 DGBDMO O=[N+]([O-])c1ccnn1C[N@@H+]1CCC[C@H](c2ccc(F)cc2)CC1 ZINC000777968509 623593486 /nfs/dbraw/zinc/59/34/86/623593486.db2.gz CKGWCBAQSGPRGK-ZDUSSCGKSA-N 1 1 318.352 3.158 20 5 DGBDMO O=[N+]([O-])c1ccnn1C[N@H+]1CCC[C@H](c2ccc(F)cc2)CC1 ZINC000777968509 623593491 /nfs/dbraw/zinc/59/34/91/623593491.db2.gz CKGWCBAQSGPRGK-ZDUSSCGKSA-N 1 1 318.352 3.158 20 5 DGBDMO COc1cnc(F)c(C[NH2+][C@H](C)c2ccc(C)c([N+](=O)[O-])c2)c1 ZINC000877073043 623784274 /nfs/dbraw/zinc/78/42/74/623784274.db2.gz AWXWGTNIYUWXSP-LLVKDONJSA-N 1 1 319.336 3.297 20 5 DGBDMO Cc1nn(C[N@@H+]2CC[C@H](c3ccc(Cl)cc3)C2)cc1[N+](=O)[O-] ZINC000779860573 623823044 /nfs/dbraw/zinc/82/30/44/623823044.db2.gz BYQKTHFAWGUWOW-ZDUSSCGKSA-N 1 1 320.780 3.200 20 5 DGBDMO Cc1nn(C[N@H+]2CC[C@H](c3ccc(Cl)cc3)C2)cc1[N+](=O)[O-] ZINC000779860573 623823051 /nfs/dbraw/zinc/82/30/51/623823051.db2.gz BYQKTHFAWGUWOW-ZDUSSCGKSA-N 1 1 320.780 3.200 20 5 DGBDMO Cc1nn(C[N@@H+]2CC[C@@H](Cc3ccccc3)[C@H]2C)cc1[N+](=O)[O-] ZINC000779864391 623824135 /nfs/dbraw/zinc/82/41/35/623824135.db2.gz AXNPETFBMGGDMT-ZBFHGGJFSA-N 1 1 314.389 3.010 20 5 DGBDMO O=[N+]([O-])c1ccc(Cl)cc1C[N@H+]1CC[C@H]2CSC[C@@H]2C1 ZINC000877742199 624014541 /nfs/dbraw/zinc/01/45/41/624014541.db2.gz XXOBXNYGFLZFED-JQWIXIFHSA-N 1 1 312.822 3.433 20 5 DGBDMO COc1ccc(C[N@@H+]2CC[C@](C)(C(F)(F)F)C2)cc1[N+](=O)[O-] ZINC000877813094 624044388 /nfs/dbraw/zinc/04/43/88/624044388.db2.gz WFJHTINVYSQNKX-ZDUSSCGKSA-N 1 1 318.295 3.378 20 5 DGBDMO COc1ccc(C[N@H+]2CC[C@](C)(C(F)(F)F)C2)cc1[N+](=O)[O-] ZINC000877813094 624044393 /nfs/dbraw/zinc/04/43/93/624044393.db2.gz WFJHTINVYSQNKX-ZDUSSCGKSA-N 1 1 318.295 3.378 20 5 DGBDMO CCCC[N@@H+](CC)Cc1nnc(-c2ccccc2[N+](=O)[O-])o1 ZINC000877907947 624087211 /nfs/dbraw/zinc/08/72/11/624087211.db2.gz MCKQTIFHMRDJMJ-UHFFFAOYSA-N 1 1 304.350 3.267 20 5 DGBDMO CC(C)[C@@H](C)[N@@H+](C)Cc1nnc(-c2ccccc2[N+](=O)[O-])o1 ZINC000877927598 624096622 /nfs/dbraw/zinc/09/66/22/624096622.db2.gz CHMYVDCLGCJUCL-LLVKDONJSA-N 1 1 304.350 3.121 20 5 DGBDMO CC(C)[C@H]1CC[N@@H+](Cc2nnc(-c3ccccc3[N+](=O)[O-])o2)C1 ZINC000878182398 624205855 /nfs/dbraw/zinc/20/58/55/624205855.db2.gz ILEGAEWUNSVMFT-LBPRGKRZSA-N 1 1 316.361 3.123 20 5 DGBDMO C[C@@H]1C[N@@H+](Cn2ncc3ccc([N+](=O)[O-])cc32)[C@@H]2CCCC[C@H]21 ZINC000782278959 624232300 /nfs/dbraw/zinc/23/23/00/624232300.db2.gz ZVMASMKAWKWJTL-UHOFOFEASA-N 1 1 314.389 3.413 20 5 DGBDMO C[N@@H+](CCc1cccc([N+](=O)[O-])c1)C[C@@H]1C[C@H]2CCC[C@H]2O1 ZINC000878565132 624309396 /nfs/dbraw/zinc/30/93/96/624309396.db2.gz FYEKHIXZDXFGKC-HYVNUMGLSA-N 1 1 304.390 3.027 20 5 DGBDMO C[C@H]1CCC(C)(C)[N@H+]1Cc1nnc(-c2ccccc2[N+](=O)[O-])o1 ZINC000878691217 624340714 /nfs/dbraw/zinc/34/07/14/624340714.db2.gz YMNZRJUGQKDFFM-NSHDSACASA-N 1 1 316.361 3.408 20 5 DGBDMO C[C@@H]1CCC(C)(C)[N@H+]1Cc1nnc(-c2ccccc2[N+](=O)[O-])o1 ZINC000878691216 624340859 /nfs/dbraw/zinc/34/08/59/624340859.db2.gz YMNZRJUGQKDFFM-LLVKDONJSA-N 1 1 316.361 3.408 20 5 DGBDMO C[NH+](C)CC1CCN(Cc2ccc([N+](=O)[O-])c(Cl)c2)CC1 ZINC000783527182 624362216 /nfs/dbraw/zinc/36/22/16/624362216.db2.gz XVEZDABVWWBANL-UHFFFAOYSA-N 1 1 311.813 3.022 20 5 DGBDMO O=[N+]([O-])c1ccc(C[NH2+][C@@H](CO)c2ccc(F)cc2)cc1Cl ZINC000783625423 624376657 /nfs/dbraw/zinc/37/66/57/624376657.db2.gz UGTMBAFLXOTERM-AWEZNQCLSA-N 1 1 324.739 3.211 20 5 DGBDMO C[N@H+](Cc1nnc(-c2ccccc2[N+](=O)[O-])o1)C[C@@H]1CC1(C)C ZINC000879008285 624407831 /nfs/dbraw/zinc/40/78/31/624407831.db2.gz QYPIXNTWDJOSLC-NSHDSACASA-N 1 1 316.361 3.123 20 5 DGBDMO O=[N+]([O-])c1cc(C[N@@H+]2CCC[C@H]2[C@@H](O)c2ccccc2)cs1 ZINC000879241794 624458151 /nfs/dbraw/zinc/45/81/51/624458151.db2.gz NTAXYSRWTFUOFO-HOCLYGCPSA-N 1 1 318.398 3.354 20 5 DGBDMO O=[N+]([O-])c1ccc(Cl)cc1C[NH+]1CCC([C@@H]2CCOC2)CC1 ZINC000784344276 624507358 /nfs/dbraw/zinc/50/73/58/624507358.db2.gz UKQNSQFBVMZKQS-CYBMUJFWSA-N 1 1 324.808 3.497 20 5 DGBDMO C[C@@H](O)[C@H]1C[C@H](C)CC[N@H+]1Cc1ccc(Cl)c([N+](=O)[O-])c1 ZINC000785540505 624683110 /nfs/dbraw/zinc/68/31/10/624683110.db2.gz KSYFSXXRHOCKMB-JTNHKYCSSA-N 1 1 312.797 3.230 20 5 DGBDMO C[C@@H](O)[C@H]1C[C@H](C)CC[N@H+]1Cc1cc([N+](=O)[O-])ccc1Cl ZINC000785541726 624684231 /nfs/dbraw/zinc/68/42/31/624684231.db2.gz VXNSKOFDVAMCBF-UEKVPHQBSA-N 1 1 312.797 3.230 20 5 DGBDMO Cc1ccc([N+](=O)[O-])cc1[C@H](C)OC(=O)C[NH+]1[C@@H](C)CC[C@@H]1C ZINC000785736912 624721327 /nfs/dbraw/zinc/72/13/27/624721327.db2.gz ZIBLELHCERUUHO-IHRRRGAJSA-N 1 1 320.389 3.380 20 5 DGBDMO COC(=O)CC[C@H]1CCC[N@H+]([C@H](C)c2cccc([N+](=O)[O-])c2)C1 ZINC000880037290 624762853 /nfs/dbraw/zinc/76/28/53/624762853.db2.gz HZMOIKQPNJHEMM-ZIAGYGMSSA-N 1 1 320.389 3.321 20 5 DGBDMO C[N@@H+](CCC(=O)Nc1cc([N+](=O)[O-])ccc1F)C1(C)CCCC1 ZINC000786220082 624828204 /nfs/dbraw/zinc/82/82/04/624828204.db2.gz GIQVJYRZDBXGMW-UHFFFAOYSA-N 1 1 323.368 3.327 20 5 DGBDMO CC[N@@H+](Cc1cccc([N+](=O)[O-])c1)[C@@H](CO)c1ccccc1 ZINC000880459216 624960206 /nfs/dbraw/zinc/96/02/06/624960206.db2.gz DCRYCKDTBFBSHM-KRWDZBQOSA-N 1 1 300.358 3.150 20 5 DGBDMO C[N@@H+](C[C@H](O)c1cccc([N+](=O)[O-])c1)C1CCC(F)(F)CC1 ZINC000805840595 625014840 /nfs/dbraw/zinc/01/48/40/625014840.db2.gz SYQQBZLVOIOQFP-AWEZNQCLSA-N 1 1 314.332 3.138 20 5 DGBDMO CN(CC[C@@H]1CCCC[N@H+]1C)Cc1ccc([N+](=O)[O-])c(F)c1 ZINC000788481070 625193603 /nfs/dbraw/zinc/19/36/03/625193603.db2.gz POOQDEHWFOYNLK-AWEZNQCLSA-N 1 1 309.385 3.040 20 5 DGBDMO CCC(CC)[C@@H](CN[C@H](C)c1ccc(N)c([N+](=O)[O-])c1)[NH+](C)C ZINC000788521656 625205817 /nfs/dbraw/zinc/20/58/17/625205817.db2.gz WBJHHLVCHHWJPO-SJKOYZFVSA-N 1 1 322.453 3.194 20 5 DGBDMO CC[C@H]1CCCC[N@H+]1CCN[C@@H](C)c1ccc(N)c([N+](=O)[O-])c1 ZINC000788613418 625229894 /nfs/dbraw/zinc/22/98/94/625229894.db2.gz WQMISGCCHDYWRQ-ZFWWWQNUSA-N 1 1 320.437 3.092 20 5 DGBDMO CC[C@H]1CCCCN1CC[NH2+][C@@H](C)c1ccc(N)c([N+](=O)[O-])c1 ZINC000788613418 625229898 /nfs/dbraw/zinc/22/98/98/625229898.db2.gz WQMISGCCHDYWRQ-ZFWWWQNUSA-N 1 1 320.437 3.092 20 5 DGBDMO C[N@@H+](CCc1ccccc1[N+](=O)[O-])Cc1ccc2c(c1)COC2 ZINC000796116087 626023444 /nfs/dbraw/zinc/02/34/44/626023444.db2.gz SHAZZCNELLCYGI-UHFFFAOYSA-N 1 1 312.369 3.300 20 5 DGBDMO O=[N+]([O-])c1ccc([C@H](O)C[N@H+]2CCC=C(c3ccco3)C2)cc1 ZINC000796119727 626023933 /nfs/dbraw/zinc/02/39/33/626023933.db2.gz CENZEWLJGUCGEN-MRXNPFEDSA-N 1 1 314.341 3.011 20 5 DGBDMO CO[C@]1(C)C[C@H]([N@@H+](C)Cc2ccc([N+](=O)[O-])c(F)c2)C1(C)C ZINC000801519471 626407211 /nfs/dbraw/zinc/40/72/11/626407211.db2.gz OWIMEYUYAJTJGY-GOEBONIOSA-N 1 1 310.369 3.369 20 5 DGBDMO CC(=O)c1cc([N+](=O)[O-])ccc1NC[C@@H](C)[N@H+]1CCC[C@H](C)C1 ZINC000804349174 626672181 /nfs/dbraw/zinc/67/21/81/626672181.db2.gz JTZIGEIIYXECBY-QWHCGFSZSA-N 1 1 319.405 3.330 20 5 DGBDMO C[C@H](CNc1ccc(N)cc1[N+](=O)[O-])[N@@H+](C)Cc1ccccc1 ZINC000804445870 626680247 /nfs/dbraw/zinc/68/02/47/626680247.db2.gz RUYWZYCCHLKTQO-CYBMUJFWSA-N 1 1 314.389 3.109 20 5 DGBDMO CC[C@H]1CCCC[N@H+]1CCNc1c([N+](=O)[O-])cccc1[N+](=O)[O-] ZINC000804454933 626681708 /nfs/dbraw/zinc/68/17/08/626681708.db2.gz USXXZDUAYTZXKU-LBPRGKRZSA-N 1 1 322.365 3.179 20 5 DGBDMO CC(=O)c1ccc([N+](=O)[O-])cc1NC[C@H]1CCCC[N@H+]1C1CC1 ZINC000808049989 626789208 /nfs/dbraw/zinc/78/92/08/626789208.db2.gz NJOYMIVVVOCGKH-OAHLLOKOSA-N 1 1 317.389 3.226 20 5 DGBDMO CCCC[N@@H+](C)C[C@H](C)Nc1ccc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000808177276 626803326 /nfs/dbraw/zinc/80/33/26/626803326.db2.gz RFHSFMDOCWOCPC-NSHDSACASA-N 1 1 310.354 3.035 20 5 DGBDMO C[N@@H+](Cn1cc([N+](=O)[O-])cn1)[C@H]1CCCC[C@H]1c1ccccc1 ZINC000840181961 626922420 /nfs/dbraw/zinc/92/24/20/626922420.db2.gz MUYFTWWODQDDMO-IRXDYDNUSA-N 1 1 314.389 3.407 20 5 DGBDMO C[N@@H+](Cn1nccc1[N+](=O)[O-])[C@H]1CCCC[C@@H]1c1ccccc1 ZINC000840182100 626923528 /nfs/dbraw/zinc/92/35/28/626923528.db2.gz NQXRFJLJDZTHFG-CVEARBPZSA-N 1 1 314.389 3.407 20 5 DGBDMO C[C@@H]1C[N@@H+](C)CC[C@H]1N(C)Cc1ccc([N+](=O)[O-])c(Cl)c1 ZINC000809766460 626948638 /nfs/dbraw/zinc/94/86/38/626948638.db2.gz XYFIINSNHRDQRN-BXUZGUMPSA-N 1 1 311.813 3.020 20 5 DGBDMO C[C@@H]1CN(C)CC[C@H]1[N@H+](C)Cc1ccc([N+](=O)[O-])c(Cl)c1 ZINC000809766460 626948640 /nfs/dbraw/zinc/94/86/40/626948640.db2.gz XYFIINSNHRDQRN-BXUZGUMPSA-N 1 1 311.813 3.020 20 5 DGBDMO C[C@@H]1CN(C)CC[C@H]1[N@@H+](C)Cc1ccc([N+](=O)[O-])c(Cl)c1 ZINC000809766460 626948644 /nfs/dbraw/zinc/94/86/44/626948644.db2.gz XYFIINSNHRDQRN-BXUZGUMPSA-N 1 1 311.813 3.020 20 5 DGBDMO O=[N+]([O-])c1c(Cl)cc(Cl)cc1C[N@@H+](CCO)CC1CC1 ZINC000809936849 626960382 /nfs/dbraw/zinc/96/03/82/626960382.db2.gz QZIUJDFTLMSJPH-UHFFFAOYSA-N 1 1 319.188 3.106 20 5 DGBDMO Cc1ccc([N+](=O)[O-])cc1OC(=O)[C@@]1(F)CC[N@H+](C(C)(C)C)C1 ZINC000810536610 627013026 /nfs/dbraw/zinc/01/30/26/627013026.db2.gz QVFKIAGKCLBQPO-MRXNPFEDSA-N 1 1 324.352 3.021 20 5 DGBDMO Cc1ccccc1OCCC[N@@H+](C)Cc1cccnc1[N+](=O)[O-] ZINC000885960355 627070168 /nfs/dbraw/zinc/07/01/68/627070168.db2.gz KDABHZFKCHUKOR-UHFFFAOYSA-N 1 1 315.373 3.199 20 5 DGBDMO Cc1ccccc1OCCC[N@H+](C)Cc1cccnc1[N+](=O)[O-] ZINC000885960355 627070170 /nfs/dbraw/zinc/07/01/70/627070170.db2.gz KDABHZFKCHUKOR-UHFFFAOYSA-N 1 1 315.373 3.199 20 5 DGBDMO CC[N@H+](Cc1ccc(OC)cc1)Cc1cccnc1[N+](=O)[O-] ZINC000885959374 627070365 /nfs/dbraw/zinc/07/03/65/627070365.db2.gz ZNCZQMPFYKZMKQ-UHFFFAOYSA-N 1 1 301.346 3.021 20 5 DGBDMO CC[N@@H+](Cc1ccc(OC)cc1)Cc1cccnc1[N+](=O)[O-] ZINC000885959374 627070367 /nfs/dbraw/zinc/07/03/67/627070367.db2.gz ZNCZQMPFYKZMKQ-UHFFFAOYSA-N 1 1 301.346 3.021 20 5 DGBDMO Cc1c(C[N@H+]2CCC[C@H](c3ncccn3)C2)cccc1[N+](=O)[O-] ZINC000886679478 627188628 /nfs/dbraw/zinc/18/86/28/627188628.db2.gz XWILTOINSCSIMG-HNNXBMFYSA-N 1 1 312.373 3.073 20 5 DGBDMO Cc1ccc([N+](=O)[O-])cc1[C@H](C)[N@H+]1CC[C@H]([C@H]2CCCO2)C1 ZINC000886822200 627208522 /nfs/dbraw/zinc/20/85/22/627208522.db2.gz NPMNSCSUCOCLDV-GRDNDAEWSA-N 1 1 304.390 3.465 20 5 DGBDMO CCCC[N@@H+](C)C[C@@H](C)Nc1cc(OC)cc(F)c1[N+](=O)[O-] ZINC000811848905 627329912 /nfs/dbraw/zinc/32/99/12/627329912.db2.gz ZAQOAFJTLXKYKN-LLVKDONJSA-N 1 1 313.373 3.275 20 5 DGBDMO CC[C@@H](C)CC(=O)O[C@H]1CC[N@H+](Cc2cccc([N+](=O)[O-])c2)C1 ZINC000813174432 627462279 /nfs/dbraw/zinc/46/22/79/627462279.db2.gz SMWTVYUQSUJUTM-CJNGLKHVSA-N 1 1 320.389 3.149 20 5 DGBDMO CC[C@@H](C)CC(=O)O[C@H]1CC[N@@H+](Cc2cccc([N+](=O)[O-])c2)C1 ZINC000813174432 627462281 /nfs/dbraw/zinc/46/22/81/627462281.db2.gz SMWTVYUQSUJUTM-CJNGLKHVSA-N 1 1 320.389 3.149 20 5 DGBDMO Cc1cc(N2CC[C@@]3(CC[N@H+](C)C3)C2)c(Cl)cc1[N+](=O)[O-] ZINC000813636412 627504905 /nfs/dbraw/zinc/50/49/05/627504905.db2.gz WQUTYQCINNBUQF-OAHLLOKOSA-N 1 1 309.797 3.089 20 5 DGBDMO CCc1ccc([C@@H]2CC[N@H+](Cn3cc([N+](=O)[O-])c(C)n3)C2)cc1 ZINC000814225225 627552582 /nfs/dbraw/zinc/55/25/82/627552582.db2.gz PRPHXWULHORDGZ-MRXNPFEDSA-N 1 1 314.389 3.109 20 5 DGBDMO CCc1ccc([C@@H]2CC[N@@H+](Cn3cc([N+](=O)[O-])c(C)n3)C2)cc1 ZINC000814225225 627552584 /nfs/dbraw/zinc/55/25/84/627552584.db2.gz PRPHXWULHORDGZ-MRXNPFEDSA-N 1 1 314.389 3.109 20 5 DGBDMO C[N@H+]1CCC[C@]2(CCN(c3ccc([N+](=O)[O-])cc3Cl)C2)C1 ZINC000814909361 627606292 /nfs/dbraw/zinc/60/62/92/627606292.db2.gz KAYJBNUJAKHVAV-HNNXBMFYSA-N 1 1 309.797 3.170 20 5 DGBDMO Cc1csc([C@H](C)[NH2+][C@H](C)c2ccc(N)c([N+](=O)[O-])c2)n1 ZINC000815574205 627686197 /nfs/dbraw/zinc/68/61/97/627686197.db2.gz HYKUEEPATDEAMR-ZJUUUORDSA-N 1 1 306.391 3.354 20 5 DGBDMO CC(C)c1cc(C[NH2+][C@@H](C)c2ccc(N)c([N+](=O)[O-])c2)on1 ZINC000815580581 627687073 /nfs/dbraw/zinc/68/70/73/627687073.db2.gz MSNYHWNYKOVISD-JTQLQIEISA-N 1 1 304.350 3.139 20 5 DGBDMO Cc1c(CN[C@@H]2CC[NH2+]C[C@H]2C2CCCC2)cccc1[N+](=O)[O-] ZINC000925659009 627771859 /nfs/dbraw/zinc/77/18/59/627771859.db2.gz RUVCIUBAVPQZES-DLBZAZTESA-N 1 1 317.433 3.161 20 5 DGBDMO Cc1c([C@@H](C)NC[C@]23CCC[C@H]2[NH2+]CC3)cccc1[N+](=O)[O-] ZINC000925842435 627804346 /nfs/dbraw/zinc/80/43/46/627804346.db2.gz JRLZEWFPPXMOLE-KBRIMQKVSA-N 1 1 303.406 3.086 20 5 DGBDMO Cc1cc([N+](=O)[O-])ccc1C[N@H+](C)C[C@@](C)(O)c1ccccc1 ZINC000822517385 628460776 /nfs/dbraw/zinc/46/07/76/628460776.db2.gz WWMANVQJLHPWMD-GOSISDBHSA-N 1 1 314.385 3.243 20 5 DGBDMO C[C@H](c1cccc([N+](=O)[O-])c1)[N@@H+](C)C[C@](C)(O)c1ccccc1 ZINC000823585753 628576803 /nfs/dbraw/zinc/57/68/03/628576803.db2.gz QVKBUHFGXLQZBK-KDOFPFPSSA-N 1 1 314.385 3.495 20 5 DGBDMO C[C@H]1CN(Cc2cc(Cl)ccc2[N+](=O)[O-])CC[N@H+](C2CC2)C1 ZINC000824445608 628661377 /nfs/dbraw/zinc/66/13/77/628661377.db2.gz HIKBDMOPLDKJOG-LBPRGKRZSA-N 1 1 323.824 3.164 20 5 DGBDMO CN(Cc1c[nH+]c2n1CCC2)Cc1cc([N+](=O)[O-])ccc1Cl ZINC000824542145 628669095 /nfs/dbraw/zinc/66/90/95/628669095.db2.gz OLZPTYIUYWXYGX-UHFFFAOYSA-N 1 1 320.780 3.023 20 5 DGBDMO O=[N+]([O-])c1ccc([C@@H]2CCC[N@@H+](C[C@H]3CCC=CO3)C2)cc1 ZINC000824820718 628697414 /nfs/dbraw/zinc/69/74/14/628697414.db2.gz LCKCDYOSKWGMRW-NVXWUHKLSA-N 1 1 302.374 3.467 20 5 DGBDMO C[N@@H+](Cc1ccc(Cl)c([N+](=O)[O-])c1)[C@@H](CO)CC(C)(C)C ZINC000825040371 628719505 /nfs/dbraw/zinc/71/95/05/628719505.db2.gz IZHTVLUQGSRQCD-GFCCVEGCSA-N 1 1 314.813 3.477 20 5 DGBDMO O=[N+]([O-])c1cccc([C@@H](O)C[N@H+]2CCCC[C@@H]2C2CCC2)c1 ZINC000830988285 629327268 /nfs/dbraw/zinc/32/72/68/629327268.db2.gz JNBNGWALXYASIY-SJORKVTESA-N 1 1 304.390 3.283 20 5 DGBDMO CC(C)C(=O)CC[N@H+]1CCC[C@H](c2ccc([N+](=O)[O-])cc2)C1 ZINC000831538754 629388411 /nfs/dbraw/zinc/38/84/11/629388411.db2.gz HTLGYFPWIXGMRP-HNNXBMFYSA-N 1 1 304.390 3.389 20 5 DGBDMO CC(C)[C@@H]1C[N@@H+](C[C@H](O)c2cccc([N+](=O)[O-])c2)[C@@H]1C(C)C ZINC000834387274 629703101 /nfs/dbraw/zinc/70/31/01/629703101.db2.gz DYUOWBUSYMGLEZ-YESZJQIVSA-N 1 1 306.406 3.241 20 5 DGBDMO C[N@H+](CCc1cccc2ccccc21)Cn1nccc1[N+](=O)[O-] ZINC000101537816 629731653 /nfs/dbraw/zinc/73/16/53/629731653.db2.gz JGTMWQXLGJIQGV-UHFFFAOYSA-N 1 1 310.357 3.077 20 5 DGBDMO C[N@@H+](CCc1cccc2ccccc21)Cn1nccc1[N+](=O)[O-] ZINC000101537816 629731657 /nfs/dbraw/zinc/73/16/57/629731657.db2.gz JGTMWQXLGJIQGV-UHFFFAOYSA-N 1 1 310.357 3.077 20 5 DGBDMO CCCCCC[N@@H+](C)Cc1nc(-c2ccc([N+](=O)[O-])o2)no1 ZINC000834841099 629788395 /nfs/dbraw/zinc/78/83/95/629788395.db2.gz PGLRNLMMLRSWIA-UHFFFAOYSA-N 1 1 308.338 3.250 20 5 DGBDMO CC(C)[N@H+]1CCCC[C@@H]1COC(=O)c1ccc([N+](=O)[O-])cc1F ZINC000837454138 630260326 /nfs/dbraw/zinc/26/03/26/630260326.db2.gz DQOUHOZYWJEPOL-CYBMUJFWSA-N 1 1 324.352 3.154 20 5 DGBDMO [NH3+]CCc1ccc(CNCc2ccc([N+](=O)[O-])c(Cl)c2)cc1 ZINC000841034059 630399282 /nfs/dbraw/zinc/39/92/82/630399282.db2.gz VYVGXPGCWRGQNE-UHFFFAOYSA-N 1 1 319.792 3.039 20 5 DGBDMO O=[N+]([O-])c1ccc(C[N@H+]2CCSC[C@@H]2C2CCC2)cc1F ZINC000842171438 630501937 /nfs/dbraw/zinc/50/19/37/630501937.db2.gz RCYRQVKGOWPNRS-OAHLLOKOSA-N 1 1 310.394 3.451 20 5 DGBDMO Cc1cc(C(=O)OC[C@H]2CCC[N@H+](C(C)C)C2)cc([N+](=O)[O-])c1 ZINC000842834070 630582244 /nfs/dbraw/zinc/58/22/44/630582244.db2.gz QJHCQXNMPRQLAF-AWEZNQCLSA-N 1 1 320.389 3.180 20 5 DGBDMO COc1ccc(C[N@H+]2CCC[C@@]3(CC3(F)F)C2)cc1[N+](=O)[O-] ZINC000844437237 630729375 /nfs/dbraw/zinc/72/93/75/630729375.db2.gz JCJRZGXPGSUZLL-CQSZACIVSA-N 1 1 312.316 3.225 20 5 DGBDMO O=[N+]([O-])c1cccc(OCC[N@H+]2CCC[C@@]3(CC3(F)F)C2)c1 ZINC000844441222 630730588 /nfs/dbraw/zinc/73/05/88/630730588.db2.gz ZJEDMGPPRFEHQA-CQSZACIVSA-N 1 1 312.316 3.095 20 5 DGBDMO O=[N+]([O-])c1ccc2c(cnn2C[NH+]2CCC3(CC3(F)F)CC2)c1 ZINC000844726069 630808056 /nfs/dbraw/zinc/80/80/56/630808056.db2.gz VVCDWKFZCZQEJM-UHFFFAOYSA-N 1 1 322.315 3.023 20 5 DGBDMO C[C@H](C(=O)OC[C@H]1CC[N@H+]1C(C)(C)C)c1cccc([N+](=O)[O-])c1 ZINC000845734519 631192314 /nfs/dbraw/zinc/19/23/14/631192314.db2.gz GBCZZEQEGWQUSY-SWLSCSKDSA-N 1 1 320.389 3.114 20 5 DGBDMO Cc1ccnc([C@@H]2CC[N@@H+](Cc3ccc([N+](=O)[O-])c(F)c3)C2)c1 ZINC000846966358 631368441 /nfs/dbraw/zinc/36/84/41/631368441.db2.gz AEOQNGGWLBEAFV-CQSZACIVSA-N 1 1 315.348 3.427 20 5 DGBDMO CCC[N@@H+](CCC(=O)Nc1cc([N+](=O)[O-])ccc1F)C(C)C ZINC000847027912 631384639 /nfs/dbraw/zinc/38/46/39/631384639.db2.gz QBKZUMSQPJZBCN-UHFFFAOYSA-N 1 1 311.357 3.183 20 5 DGBDMO C[C@@H](O)C[N@H+](Cc1cc(Cl)cc(Cl)c1[N+](=O)[O-])C1CC1 ZINC000847105870 631408058 /nfs/dbraw/zinc/40/80/58/631408058.db2.gz NRKNOQYAAJYOLO-MRVPVSSYSA-N 1 1 319.188 3.247 20 5 DGBDMO C[C@@H](O)C[N@@H+](Cc1cc(Cl)cc(Cl)c1[N+](=O)[O-])C1CC1 ZINC000847105870 631408064 /nfs/dbraw/zinc/40/80/64/631408064.db2.gz NRKNOQYAAJYOLO-MRVPVSSYSA-N 1 1 319.188 3.247 20 5 DGBDMO CSCCC[N@@H+](C)Cn1cc(-c2ccccc2[N+](=O)[O-])cn1 ZINC000848486063 631668961 /nfs/dbraw/zinc/66/89/61/631668961.db2.gz BPGWXAVHBYPPRO-UHFFFAOYSA-N 1 1 320.418 3.101 20 5 DGBDMO CC(C)(C)[N@@H+]1CC[C@H]1CNCc1cc(Cl)ccc1[N+](=O)[O-] ZINC000850342618 632119378 /nfs/dbraw/zinc/11/93/78/632119378.db2.gz IETNIHHLYCLCBR-ZDUSSCGKSA-N 1 1 311.813 3.211 20 5 DGBDMO CC(C)(C)[N@H+]1CC[C@H]1CNCc1cc(Cl)ccc1[N+](=O)[O-] ZINC000850342618 632119385 /nfs/dbraw/zinc/11/93/85/632119385.db2.gz IETNIHHLYCLCBR-ZDUSSCGKSA-N 1 1 311.813 3.211 20 5 DGBDMO C[C@@H](O)[C@H]([NH2+]Cc1cc([N+](=O)[O-])ccc1Cl)c1ccccc1 ZINC000850420905 632147549 /nfs/dbraw/zinc/14/75/49/632147549.db2.gz TUHQKBXDXVSSGH-BZNIZROVSA-N 1 1 320.776 3.460 20 5 DGBDMO O=[N+]([O-])c1cccc(Cn2cc[nH+]c2C2CC2)c1Br ZINC000704173825 660804719 /nfs/dbraw/zinc/80/47/19/660804719.db2.gz JHSJPUBEONHDBW-UHFFFAOYSA-N 1 1 322.162 3.480 20 5 DGBDMO O=[N+]([O-])c1ccc(Cl)cc1C[N@@H+]1CCC[C@H]1[C@@H]1CCCO1 ZINC000792925147 660994359 /nfs/dbraw/zinc/99/43/59/660994359.db2.gz KFJCBMZUFXPBBS-GJZGRUSLSA-N 1 1 310.781 3.392 20 5 DGBDMO O=[N+]([O-])c1ccc(Cl)cc1C[N@H+]1CCC[C@H]1[C@@H]1CCCO1 ZINC000792925147 660994361 /nfs/dbraw/zinc/99/43/61/660994361.db2.gz KFJCBMZUFXPBBS-GJZGRUSLSA-N 1 1 310.781 3.392 20 5 DGBDMO C[C@@H]1C[C@@H](C)[C@@H](C)[N@@H+](Cc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])C1 ZINC000792879390 660991118 /nfs/dbraw/zinc/99/11/18/660991118.db2.gz HIPADURREWJINJ-IJLUTSLNSA-N 1 1 307.350 3.369 20 5 DGBDMO Cc1cccc(C[N@@H+](C)C[C@H](O)c2cccc([N+](=O)[O-])c2)c1C ZINC000794640479 661095664 /nfs/dbraw/zinc/09/56/64/661095664.db2.gz GTQHGVNAMXCLER-SFHVURJKSA-N 1 1 314.385 3.377 20 5 DGBDMO CCOc1ccc([C@@H](C)[NH2+]Cc2cccnc2F)cc1[N+](=O)[O-] ZINC000794837617 661108788 /nfs/dbraw/zinc/10/87/88/661108788.db2.gz VACVSQMYZSJWJP-LLVKDONJSA-N 1 1 319.336 3.378 20 5 DGBDMO O=[N+]([O-])c1ccc(C[N@H+]2CCCSC[C@H]2C2CC2)cc1F ZINC000933918354 655738359 /nfs/dbraw/zinc/73/83/59/655738359.db2.gz SLNGIEMUWDUQKQ-HNNXBMFYSA-N 1 1 310.394 3.451 20 5 DGBDMO CCOc1cc(C[NH2+][C@@H](C)c2cncs2)ccc1[N+](=O)[O-] ZINC000934193288 655754561 /nfs/dbraw/zinc/75/45/61/655754561.db2.gz GBVVCWNXADQIJG-JTQLQIEISA-N 1 1 307.375 3.301 20 5 DGBDMO C[C@H](CN1CCCCC1)[NH2+]Cc1cc([N+](=O)[O-])ccc1Cl ZINC000037153732 661216965 /nfs/dbraw/zinc/21/69/65/661216965.db2.gz UUCRJEBGVOHSJY-GFCCVEGCSA-N 1 1 311.813 3.212 20 5 DGBDMO Cc1cc(N[C@@H](C)[C@H]2CCC[NH2+]C2)c2cc([N+](=O)[O-])ccc2n1 ZINC000261845798 657133032 /nfs/dbraw/zinc/13/30/32/657133032.db2.gz JAIRYLZFCABPNM-STQMWFEESA-N 1 1 314.389 3.251 20 5 DGBDMO Cc1noc(C)c1C[N@@H+](C)CCCOc1ccc([N+](=O)[O-])cc1 ZINC000055902146 658942420 /nfs/dbraw/zinc/94/24/20/658942420.db2.gz QZHWGWBZPGQARJ-UHFFFAOYSA-N 1 1 319.361 3.101 20 5 DGBDMO CC[C@@H](c1ccccc1)[C@@H]1CCC[N@H+]1Cn1cc([N+](=O)[O-])cn1 ZINC000069689613 660015461 /nfs/dbraw/zinc/01/54/61/660015461.db2.gz SEHWHNPABPDDCT-IRXDYDNUSA-N 1 1 314.389 3.407 20 5 DGBDMO C[C@@H]1C[C@H](C[N@@H+](C)CCc2cccc([N+](=O)[O-])c2)C[C@H](C)O1 ZINC000930354566 661391704 /nfs/dbraw/zinc/39/17/04/661391704.db2.gz QBMQJVRATZDWNN-FOLVSLTJSA-N 1 1 306.406 3.273 20 5 DGBDMO CC(C)(C)[C@H]1CSCC[N@H+]1C[C@@H](O)c1cccc([N+](=O)[O-])c1 ZINC000931597885 661491614 /nfs/dbraw/zinc/49/16/14/661491614.db2.gz XUVICOVCGCLBRJ-HUUCEWRRSA-N 1 1 324.446 3.092 20 5 DGBDMO O=[N+]([O-])c1cc(C[N@@H+]2C[C@H]3C[C@@]3(c3ccccc3)C2)cs1 ZINC000931931716 661523332 /nfs/dbraw/zinc/52/33/32/661523332.db2.gz YGPFKTXIUUUAJW-ZBFHGGJFSA-N 1 1 300.383 3.430 20 5 DGBDMO O=[N+]([O-])c1cc(C[N@H+]2C[C@H]3C[C@@]3(c3ccccc3)C2)cs1 ZINC000931931716 661523334 /nfs/dbraw/zinc/52/33/34/661523334.db2.gz YGPFKTXIUUUAJW-ZBFHGGJFSA-N 1 1 300.383 3.430 20 5 DGBDMO C[C@@H](c1ccccc1[N+](=O)[O-])[N@H+]1CCC[C@H](c2ccn(C)n2)C1 ZINC000932134718 661540821 /nfs/dbraw/zinc/54/08/21/661540821.db2.gz HTVQMUGSAMIKAO-KBPBESRZSA-N 1 1 314.389 3.269 20 5 DGBDMO O=[N+]([O-])c1ccc(CC[N@H+]2CCC[C@H](C3CCOCC3)C2)cc1 ZINC000933078651 661616674 /nfs/dbraw/zinc/61/66/74/661616674.db2.gz XUINOBUQQRCCLA-KRWDZBQOSA-N 1 1 318.417 3.276 20 5 DGBDMO O=[N+]([O-])c1ccccc1C[N@H+]1CC[C@@H](Cc2nccs2)C1 ZINC000934329469 661697503 /nfs/dbraw/zinc/69/75/03/661697503.db2.gz GWTDSONHKWJGJD-LBPRGKRZSA-N 1 1 303.387 3.116 20 5 DGBDMO CCOc1cc(C[N@H+]2C[C@@H]3CSC[C@]3(C)C2)ccc1[N+](=O)[O-] ZINC000934767170 661733154 /nfs/dbraw/zinc/73/31/54/661733154.db2.gz XZBRYGJXTIKADF-CJNGLKHVSA-N 1 1 322.430 3.178 20 5 DGBDMO O=[N+]([O-])c1cc(F)ccc1C[N@H+]1CCCC[C@H]([C@H]2CCOC2)C1 ZINC000934834761 661739072 /nfs/dbraw/zinc/73/90/72/661739072.db2.gz RXVDLPIPQFGGJF-ZFWWWQNUSA-N 1 1 322.380 3.373 20 5 DGBDMO Cc1nn(C[N@@H+]2CC[C@H](c3ccccc3)[C@H]2C)c(C)c1[N+](=O)[O-] ZINC000246059120 662246553 /nfs/dbraw/zinc/24/65/53/662246553.db2.gz AWZMGEZSJOTCDN-CJNGLKHVSA-N 1 1 314.389 3.244 20 5 DGBDMO O=[N+]([O-])c1cc(F)ccc1C[NH2+][C@@H](CO)c1ccc(Cl)cc1 ZINC001620466743 1191947067 /nfs/dbraw/zinc/94/70/67/1191947067.db2.gz UBUKODGSBNUOEC-AWEZNQCLSA-N 1 1 324.739 3.211 20 5 DGBDMO C[C@H](c1ccccc1[N+](=O)[O-])[N@@H+]1Cc2c[nH]nc2C[C@@H](C)C1 ZINC001620582760 1192009927 /nfs/dbraw/zinc/00/99/27/1192009927.db2.gz QZZJHTVTEWCSOE-VXGBXAGGSA-N 1 1 300.362 3.073 20 5 DGBDMO CCC[N@H+]1CCCC[C@H]1C(=O)N[C@H](C)c1ccccc1[N+](=O)[O-] ZINC001330934365 1178093973 /nfs/dbraw/zinc/09/39/73/1178093973.db2.gz POGHKCULBSKGQU-CJNGLKHVSA-N 1 1 319.405 3.037 20 5 DGBDMO Cc1ccc([C@H](C)N[C@@H]2CCCC[C@H]2[NH+](C)C)cc1[N+](=O)[O-] ZINC001333478271 1178611931 /nfs/dbraw/zinc/61/19/31/1178611931.db2.gz LCPAARJNDXDRKT-NUEKZKHPSA-N 1 1 305.422 3.427 20 5 DGBDMO COc1cccc(F)c1C[NH2+][C@H](C)c1ccc(N)c([N+](=O)[O-])c1 ZINC001334755447 1178791750 /nfs/dbraw/zinc/79/17/50/1178791750.db2.gz OSFNXYQMGPOLHE-SNVBAGLBSA-N 1 1 319.336 3.176 20 5 DGBDMO CN(C)[C@H]1CCCC[C@@H]1[NH2+]Cc1ccc([N+](=O)[O-])cc1Cl ZINC001342323269 1179130488 /nfs/dbraw/zinc/13/04/88/1179130488.db2.gz APDDTMLFMLNHBN-GJZGRUSLSA-N 1 1 311.813 3.211 20 5 DGBDMO COCC[N@@H+](CCCOc1ccc([N+](=O)[O-])cc1)C1CCCC1 ZINC001349659454 1179929643 /nfs/dbraw/zinc/92/96/43/1179929643.db2.gz YAABRURNVMXMCB-UHFFFAOYSA-N 1 1 322.405 3.255 20 5 DGBDMO O=[N+]([O-])c1ccc2c(c1)C[N@@H+](Cc1cccc3c1CCOC3)CC2 ZINC001353562579 1180590409 /nfs/dbraw/zinc/59/04/09/1180590409.db2.gz YMYJBGMBEAKFAV-UHFFFAOYSA-N 1 1 324.380 3.226 20 5 DGBDMO O=[N+]([O-])c1ccc2c(c1)C[N@H+](Cc1cccc3c1CCOC3)CC2 ZINC001353562579 1180590414 /nfs/dbraw/zinc/59/04/14/1180590414.db2.gz YMYJBGMBEAKFAV-UHFFFAOYSA-N 1 1 324.380 3.226 20 5 DGBDMO C[C@H](Nc1cc(N)ccc1[N+](=O)[O-])[C@H]1CCC[N@H+](C2CCC2)C1 ZINC001354154841 1180732589 /nfs/dbraw/zinc/73/25/89/1180732589.db2.gz FJBFQXGCNYBJDA-STQMWFEESA-N 1 1 318.421 3.242 20 5 DGBDMO CC(C)(C)[N@H+]1CC[C@@H]1CNc1nc2c(cc1[N+](=O)[O-])CCCC2 ZINC001458485037 1182530483 /nfs/dbraw/zinc/53/04/83/1182530483.db2.gz UULBOJCGJGZFMX-CYBMUJFWSA-N 1 1 318.421 3.153 20 5 DGBDMO Cc1c(C[N@H+](CCO)[C@H](C)c2ccccc2)cccc1[N+](=O)[O-] ZINC001459785641 1182615529 /nfs/dbraw/zinc/61/55/29/1182615529.db2.gz RSLLWJXXMBCBFG-OAHLLOKOSA-N 1 1 314.385 3.459 20 5 DGBDMO CC(C)[C@H]1CCCCC[N@H+]1CC(=O)Nc1ccccc1[N+](=O)[O-] ZINC001459829644 1182621502 /nfs/dbraw/zinc/62/15/02/1182621502.db2.gz FQQBMYFMCCYSIZ-OAHLLOKOSA-N 1 1 319.405 3.434 20 5 DGBDMO Cc1cc([C@@H]2CCCC[N@H+]2CCc2ccc([N+](=O)[O-])cc2)[nH]n1 ZINC001460831375 1182729253 /nfs/dbraw/zinc/72/92/53/1182729253.db2.gz BLINJIYISABHBW-KRWDZBQOSA-N 1 1 314.389 3.396 20 5 DGBDMO Cc1cc([C@@H]2CCCC[N@@H+]2CCc2ccc([N+](=O)[O-])cc2)n[nH]1 ZINC001460831375 1182729260 /nfs/dbraw/zinc/72/92/60/1182729260.db2.gz BLINJIYISABHBW-KRWDZBQOSA-N 1 1 314.389 3.396 20 5 DGBDMO Cc1cc([C@@H]2CCCC[N@H+]2CCc2ccc([N+](=O)[O-])cc2)n[nH]1 ZINC001460831375 1182729266 /nfs/dbraw/zinc/72/92/66/1182729266.db2.gz BLINJIYISABHBW-KRWDZBQOSA-N 1 1 314.389 3.396 20 5 DGBDMO Cc1cc(NC(=O)[C@@H](c2ccccc2)[NH+](C)C)cc([N+](=O)[O-])c1 ZINC001607512598 1193234271 /nfs/dbraw/zinc/23/42/71/1193234271.db2.gz TYZWTPBLWXCEIC-MRXNPFEDSA-N 1 1 313.357 3.145 20 5 DGBDMO C[N@@H+](CCNc1cc(C(F)(F)F)ccc1[N+](=O)[O-])C1CC1 ZINC001472670918 1183663734 /nfs/dbraw/zinc/66/37/34/1183663734.db2.gz SVBKHDQBAUEICV-UHFFFAOYSA-N 1 1 303.284 3.120 20 5 DGBDMO CC(C)Oc1nc(NCC[N@@H+](C)C2CCCC2)ccc1[N+](=O)[O-] ZINC001472689518 1183667934 /nfs/dbraw/zinc/66/79/34/1183667934.db2.gz OENJCWAIVWQUTC-UHFFFAOYSA-N 1 1 322.409 3.063 20 5 DGBDMO CC[N@@H+](CCCNc1ncccc1[N+](=O)[O-])C1CCCCC1 ZINC001472825099 1183686352 /nfs/dbraw/zinc/68/63/52/1183686352.db2.gz USOMXZYRENEKEJ-UHFFFAOYSA-N 1 1 306.410 3.446 20 5 DGBDMO CCc1c[nH]c2nc[nH+]c(NCc3ccc(C)c([N+](=O)[O-])c3)c12 ZINC001472857615 1183691304 /nfs/dbraw/zinc/69/13/04/1183691304.db2.gz LTPNRQWCYQWUOY-UHFFFAOYSA-N 1 1 311.345 3.301 20 5 DGBDMO C[C@]1(Cc2ccc(Cl)c(F)c2)CCC[N@H+]1CC[N+](=O)[O-] ZINC001473722663 1183793350 /nfs/dbraw/zinc/79/33/50/1183793350.db2.gz LGSWUJZZSIIJNI-CQSZACIVSA-N 1 1 300.761 3.153 20 5 DGBDMO COc1cc([N+](=O)[O-])ccc1C[N@H+]1CCCC[C@@H]1[C@H]1CCCO1 ZINC001473885512 1183819071 /nfs/dbraw/zinc/81/90/71/1183819071.db2.gz VKPJDEKATJWOCI-HZPDHXFCSA-N 1 1 320.389 3.137 20 5 DGBDMO Cc1ccc([N+](=O)[O-])c(C)c1C[NH2+]Cc1cn2ccccc2n1 ZINC001473915927 1183827772 /nfs/dbraw/zinc/82/77/72/1183827772.db2.gz PRUWDIXTBAFHJL-UHFFFAOYSA-N 1 1 310.357 3.149 20 5 DGBDMO C[N@H+]1C[C@@H]2CC[C@H](Nc3ccc(C(F)F)cc3[N+](=O)[O-])[C@H]2C1 ZINC001516431426 1186783625 /nfs/dbraw/zinc/78/36/25/1186783625.db2.gz OODVOYOCBQODMH-SRVKXCTJSA-N 1 1 311.332 3.285 20 5 DGBDMO CC[N@@H+](C)[C@@H]1CCN(c2cc(C(F)(F)F)ccc2[N+](=O)[O-])C1 ZINC001613088379 1193467367 /nfs/dbraw/zinc/46/73/67/1193467367.db2.gz TYFTXCFQLJKWJB-LLVKDONJSA-N 1 1 317.311 3.144 20 5 DGBDMO CC[C@@H]1CCC[N@H+]([C@@H](C)C(=O)Nc2cccc([N+](=O)[O-])c2)CC1 ZINC001615497093 1193523194 /nfs/dbraw/zinc/52/31/94/1193523194.db2.gz STININYLLJNGTA-UONOGXRCSA-N 1 1 319.405 3.434 20 5 DGBDMO CC[C@@H]1CC[N@@H+]([C@H](C)C(=O)Nc2ccc([N+](=O)[O-])cc2)[C@@H]1C ZINC001617358646 1193566543 /nfs/dbraw/zinc/56/65/43/1193566543.db2.gz BQDIMXICYRYNHM-JHJVBQTASA-N 1 1 305.378 3.042 20 5 DGBDMO Cc1ncc([N+](=O)[O-])n1CC[N@@H+]1CCCCC[C@@H]1CC(C)C ZINC001559551720 1189215517 /nfs/dbraw/zinc/21/55/17/1189215517.db2.gz LYITXCVQRQKBQC-OAHLLOKOSA-N 1 1 308.426 3.390 20 5 DGBDMO C[C@H]1CCCC[C@H]1[N@@H+](C)CCC(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC001559752079 1189238911 /nfs/dbraw/zinc/23/89/11/1189238911.db2.gz RNLOOUVIZJKRBW-XJKSGUPXSA-N 1 1 319.405 3.434 20 5 DGBDMO CC[C@H]1CC[N@@H+](CCOc2ccc(OC)cc2[N+](=O)[O-])[C@H]1C ZINC001559768093 1189240713 /nfs/dbraw/zinc/24/07/13/1189240713.db2.gz CMZOMNMGHMMXEQ-STQMWFEESA-N 1 1 308.378 3.103 20 5 DGBDMO Cc1ccc(CN2CC[N@H+](C3CCC3)C[C@H](C)C2)cc1[N+](=O)[O-] ZINC001559856781 1189251227 /nfs/dbraw/zinc/25/12/27/1189251227.db2.gz KRHUBJPLBLSVAQ-CQSZACIVSA-N 1 1 317.433 3.209 20 5 DGBDMO CC[N@@H+](CCc1ccc([N+](=O)[O-])cc1)[C@H](CO)c1ccccc1 ZINC001560097860 1189277948 /nfs/dbraw/zinc/27/79/48/1189277948.db2.gz QOPBTWSDWJMDSX-GOSISDBHSA-N 1 1 314.385 3.193 20 5 DGBDMO CC(C)(C)[C@H]1CC[N@@H+](CCc2ccc([N+](=O)[O-])cc2)CCO1 ZINC001560235297 1189295543 /nfs/dbraw/zinc/29/55/43/1189295543.db2.gz GRLXCUQJAYRRIT-MRXNPFEDSA-N 1 1 306.406 3.274 20 5 DGBDMO Cc1c(C[NH2+]Cc2noc3ccc(F)cc23)cccc1[N+](=O)[O-] ZINC001560562977 1189341608 /nfs/dbraw/zinc/34/16/08/1189341608.db2.gz PGUGCUTUXYRBSC-UHFFFAOYSA-N 1 1 315.304 3.473 20 5 DGBDMO CCC[C@H]1CCC[N@H+]1CCC(=O)Nc1cc([N+](=O)[O-])ccc1F ZINC001620643774 1193785664 /nfs/dbraw/zinc/78/56/64/1193785664.db2.gz QAIGWLBHLWXKKX-LBPRGKRZSA-N 1 1 323.368 3.327 20 5 DGBDMO CCC[C@@H]1CCC[N@H+]1Cc1nc(-c2ccc([N+](=O)[O-])cc2)no1 ZINC001620643585 1193786168 /nfs/dbraw/zinc/78/61/68/1193786168.db2.gz KGYJDPRPMNZUMR-CYBMUJFWSA-N 1 1 316.361 3.409 20 5 DGBDMO COc1ccc([N+](=O)[O-])cc1C[N@H+]1CCCC[C@H]1[C@H]1CCCO1 ZINC001620669709 1193789282 /nfs/dbraw/zinc/78/92/82/1193789282.db2.gz YECGLULGISIUOH-DOTOQJQBSA-N 1 1 320.389 3.137 20 5 DGBDMO C[C@@H]1CC[N@@H+](CCOc2cccc([N+](=O)[O-])c2)CC12CCC2 ZINC001642419288 1194909463 /nfs/dbraw/zinc/90/94/63/1194909463.db2.gz DSJRNWZKFZECNN-CQSZACIVSA-N 1 1 304.390 3.486 20 5 DGBDMO O=[N+]([O-])c1ccc(OCC[N@H+]2CCC[C@@H](C3CCC3)C2)cc1 ZINC001643881970 1195060047 /nfs/dbraw/zinc/06/00/47/1195060047.db2.gz AWZZWDRFYGVKPI-OAHLLOKOSA-N 1 1 304.390 3.486 20 5 DGBDMO Cc1ccc([N+](=O)[O-])cc1[C@@H](C)[N@@H+]1Cc2c[nH]nc2C[C@H](C)C1 ZINC001644507475 1195113847 /nfs/dbraw/zinc/11/38/47/1195113847.db2.gz IKLFQOGSKORTQV-WCQYABFASA-N 1 1 314.389 3.382 20 5 DGBDMO Cc1cccc2c1C[N@@H+](CCOc1ccc([N+](=O)[O-])cc1)CC2 ZINC001645269248 1195170396 /nfs/dbraw/zinc/17/03/96/1195170396.db2.gz OWDBCZOVXMGMAD-UHFFFAOYSA-N 1 1 312.369 3.340 20 5 DGBDMO Cc1c(CN2CC[N@H+](C)C3(CCCCC3)C2)cccc1[N+](=O)[O-] ZINC001645732310 1195199352 /nfs/dbraw/zinc/19/93/52/1195199352.db2.gz GMERRODNHSNUGQ-UHFFFAOYSA-N 1 1 317.433 3.354 20 5 DGBDMO Cc1c(C[N@H+]2CCN(C)C3(CCCCC3)C2)cccc1[N+](=O)[O-] ZINC001645732310 1195199353 /nfs/dbraw/zinc/19/93/53/1195199353.db2.gz GMERRODNHSNUGQ-UHFFFAOYSA-N 1 1 317.433 3.354 20 5 DGBDMO Cc1c(C[N@@H+]2CCN(C)C3(CCCCC3)C2)cccc1[N+](=O)[O-] ZINC001645732310 1195199356 /nfs/dbraw/zinc/19/93/56/1195199356.db2.gz GMERRODNHSNUGQ-UHFFFAOYSA-N 1 1 317.433 3.354 20 5 DGBDMO COc1cc([N+](=O)[O-])ccc1C[N@H+]1C[C@H]2[C@H]3CC[C@H](C3)[C@@]2(C)C1 ZINC001648476244 1195302508 /nfs/dbraw/zinc/30/25/08/1195302508.db2.gz HFKQAFDXSDWHIH-PZMTTYODSA-N 1 1 316.401 3.471 20 5 DGBDMO CC[N@H+]1CCCC[C@H]1CNc1nc2c(cc1[N+](=O)[O-])CCCC2 ZINC001650744672 1195377779 /nfs/dbraw/zinc/37/77/79/1195377779.db2.gz JVJGVJWGFSNBSU-AWEZNQCLSA-N 1 1 318.421 3.155 20 5 DGBDMO COc1ccc([N+](=O)[O-])cc1C[NH2+]Cc1cc2cccnc2o1 ZINC001650833274 1195386806 /nfs/dbraw/zinc/38/68/06/1195386806.db2.gz SUGKAUNXJPVIEW-UHFFFAOYSA-N 1 1 313.313 3.034 20 5 DGBDMO C[N@H+]1CCC[C@H]1CNc1cc(C(F)(F)F)ccc1[N+](=O)[O-] ZINC001651296544 1195439735 /nfs/dbraw/zinc/43/97/35/1195439735.db2.gz VDCBLDWXNHTVCT-JTQLQIEISA-N 1 1 303.284 3.120 20 5 DGBDMO Cc1ccc([N+](=O)[O-])c(C)c1C[N@@H+](C)CCC(=O)OC(C)(C)C ZINC001651756721 1195505677 /nfs/dbraw/zinc/50/56/77/1195505677.db2.gz IILXSMCXBFKVFR-UHFFFAOYSA-N 1 1 322.405 3.375 20 5 DGBDMO CC(C)C[N@@H+](C)CCCNc1c(F)cc([N+](=O)[O-])cc1F ZINC001652010206 1195535391 /nfs/dbraw/zinc/53/53/91/1195535391.db2.gz BFANJMANCSSRMI-UHFFFAOYSA-N 1 1 301.337 3.263 20 5 DGBDMO COc1cc(NCc2[nH]c(C)[nH+]c2C)c(Cl)cc1[N+](=O)[O-] ZINC001652248992 1195570141 /nfs/dbraw/zinc/57/01/41/1195570141.db2.gz ZWEBTPMHXOGGTI-UHFFFAOYSA-N 1 1 310.741 3.209 20 5 DGBDMO Cc1ccc([N+](=O)[O-])c(N2C[C@]34C[N@H+](C)C[C@@]3(C2)CCCC4)c1 ZINC001652337398 1195584641 /nfs/dbraw/zinc/58/46/41/1195584641.db2.gz WFNOELCMZJCZIR-HDICACEKSA-N 1 1 315.417 3.215 20 5 DGBDMO C[N@@H+](Cc1ccc([N+](=O)[O-])cc1Cl)[C@H](CO)CC(C)(C)C ZINC001653619408 1195738429 /nfs/dbraw/zinc/73/84/29/1195738429.db2.gz SJRHZDLBMCOGRR-ZDUSSCGKSA-N 1 1 314.813 3.477 20 5 DGBDMO CC[C@@H]1CC[N@@H+]([C@H](C)C(=O)Nc2cccc([N+](=O)[O-])c2C)[C@H]1C ZINC001654219233 1195785315 /nfs/dbraw/zinc/78/53/15/1195785315.db2.gz UFDKRVVQFIWLEW-BFHYXJOUSA-N 1 1 319.405 3.351 20 5 DGBDMO CC[N@@H+](Cc1ccc(C)c([N+](=O)[O-])c1)[C@H](CO)c1ccccc1 ZINC001654616749 1195822592 /nfs/dbraw/zinc/82/25/92/1195822592.db2.gz MMYSFLHDROBALR-GOSISDBHSA-N 1 1 314.385 3.459 20 5 DGBDMO Cc1cccc([N+](=O)[O-])c1NC(=O)C[N@H+](C)C[C@@H](C)C(C)(C)C ZINC001654731396 1195833764 /nfs/dbraw/zinc/83/37/64/1195833764.db2.gz XPNMDZPSLDBKAN-CYBMUJFWSA-N 1 1 321.421 3.456 20 5 DGBDMO C[C@H]([NH2+]Cc1csc([N+](=O)[O-])c1)c1ccc2[nH]c(=O)oc2c1 ZINC001655220314 1195891972 /nfs/dbraw/zinc/89/19/72/1195891972.db2.gz GAPGYKWGKLSKKI-QMMMGPOBSA-N 1 1 319.342 3.354 20 5 DGBDMO C[C@H](NCC[N@@H+]1C[C@H](C)C[C@H](C)C1)c1ccc([N+](=O)[O-])cc1 ZINC001655554348 1195930696 /nfs/dbraw/zinc/93/06/96/1195930696.db2.gz DWZZDNWGEQUUIN-ZNMIVQPWSA-N 1 1 305.422 3.223 20 5 DGBDMO C[C@H]([NH2+]CCN1C[C@H](C)C[C@H](C)C1)c1ccc([N+](=O)[O-])cc1 ZINC001655554348 1195930699 /nfs/dbraw/zinc/93/06/99/1195930699.db2.gz DWZZDNWGEQUUIN-ZNMIVQPWSA-N 1 1 305.422 3.223 20 5 DGBDMO C[C@H]1CN(c2ncc(Cl)cc2[N+](=O)[O-])CC[N@H+]1C1CCCC1 ZINC001655856627 1195969492 /nfs/dbraw/zinc/96/94/92/1195969492.db2.gz PHMWHFJUQCEYIV-NSHDSACASA-N 1 1 324.812 3.096 20 5 DGBDMO O=[N+]([O-])c1ccc(C[N@@H+]2CCCC[C@H]2[C@@H]2CCCO2)c(F)c1 ZINC001655877244 1195972339 /nfs/dbraw/zinc/97/23/39/1195972339.db2.gz IIHKPMVNYBNCGR-HOTGVXAUSA-N 1 1 308.353 3.267 20 5 DGBDMO O=[N+]([O-])c1ccc(C[N@H+]2CCCC[C@H]2[C@@H]2CCCO2)c(F)c1 ZINC001655877244 1195972342 /nfs/dbraw/zinc/97/23/42/1195972342.db2.gz IIHKPMVNYBNCGR-HOTGVXAUSA-N 1 1 308.353 3.267 20 5 DGBDMO Cc1c(C[N@H+]2CCCC[C@@]23CCCOC3)cccc1[N+](=O)[O-] ZINC001655922781 1195977441 /nfs/dbraw/zinc/97/74/41/1195977441.db2.gz UYLHEWJFEVFBPG-KRWDZBQOSA-N 1 1 304.390 3.438 20 5 DGBDMO Cc1c(CNC[C@H](C)[N@@H+]2CCCC[C@H]2C)cccc1[N+](=O)[O-] ZINC001656774066 1196070547 /nfs/dbraw/zinc/07/05/47/1196070547.db2.gz IWLLLWYAGWZCOJ-KGLIPLIRSA-N 1 1 305.422 3.256 20 5 DGBDMO Cc1c(CNC[C@H](C)[N@H+]2CCCC[C@H]2C)cccc1[N+](=O)[O-] ZINC001656774066 1196070550 /nfs/dbraw/zinc/07/05/50/1196070550.db2.gz IWLLLWYAGWZCOJ-KGLIPLIRSA-N 1 1 305.422 3.256 20 5 DGBDMO Cc1[nH+]ccn1-c1ncccc1NCc1cccc([N+](=O)[O-])c1C ZINC001657079222 1196101963 /nfs/dbraw/zinc/10/19/63/1196101963.db2.gz RGRCUDWWBJNDTJ-UHFFFAOYSA-N 1 1 323.356 3.404 20 5 DGBDMO Cc1ccc([N+](=O)[O-])c(C)c1C[N@@H+]1CCc2ccc(O)cc2C1 ZINC001657502741 1196149907 /nfs/dbraw/zinc/14/99/07/1196149907.db2.gz MUVDVZAAGBFWPU-UHFFFAOYSA-N 1 1 312.369 3.476 20 5 DGBDMO Cc1ccc([N+](=O)[O-])c(C)c1C[N@H+]1CCc2ccc(O)cc2C1 ZINC001657502741 1196149909 /nfs/dbraw/zinc/14/99/09/1196149909.db2.gz MUVDVZAAGBFWPU-UHFFFAOYSA-N 1 1 312.369 3.476 20 5 DGBDMO C[C@@H]1C[C@H](C)C[N@H+](CCN(C)CCc2cccc([N+](=O)[O-])c2)C1 ZINC001658392314 1196250995 /nfs/dbraw/zinc/25/09/95/1196250995.db2.gz JTASOIRTGRZMHP-IYBDPMFKSA-N 1 1 319.449 3.047 20 5 DGBDMO Cc1ccc([N+](=O)[O-])c(C)c1C[N@H+](C)[C@H](CO)c1ccccc1 ZINC001659282597 1196367112 /nfs/dbraw/zinc/36/71/12/1196367112.db2.gz KJYMXQNCHFBZBH-GOSISDBHSA-N 1 1 314.385 3.377 20 5 DGBDMO O=[N+]([O-])c1ccc(C[N@@H+]2CC[C@@H]3[C@H](C2)C3(F)F)cc1Cl ZINC001659414649 1196381458 /nfs/dbraw/zinc/38/14/58/1196381458.db2.gz MJAPHUSQPWQHNC-ZJUUUORDSA-N 1 1 302.708 3.335 20 5 DGBDMO O=[N+]([O-])c1ccc(C[N@H+]2CC[C@@H]3[C@H](C2)C3(F)F)cc1Cl ZINC001659414649 1196381461 /nfs/dbraw/zinc/38/14/61/1196381461.db2.gz MJAPHUSQPWQHNC-ZJUUUORDSA-N 1 1 302.708 3.335 20 5 DGBDMO C[C@]12C[N@@H+](Cc3ccc([N+](=O)[O-])cc3F)C[C@H]1[C@H]1C=C[C@@H]2C1 ZINC001660399711 1196480145 /nfs/dbraw/zinc/48/01/45/1196480145.db2.gz VCXPRUVIJCQMFB-MAQMMGONSA-N 1 1 302.349 3.378 20 5 DGBDMO Cc1cc(Cl)c([N+](=O)[O-])c(NCC[C@H]2CCC[N@H+](C)C2)n1 ZINC001156379282 1081658090 /nfs/dbraw/zinc/65/80/90/1081658090.db2.gz SPTBHCURFPCTGN-LLVKDONJSA-N 1 1 312.801 3.095 20 5 DGBDMO CO[C@H]1C[C@H]([N@@H+](C)Cc2cccc([N+](=O)[O-])c2C)C12CCC2 ZINC001170324867 1082346235 /nfs/dbraw/zinc/34/62/35/1082346235.db2.gz TUUFHSGCWWCHRB-HOTGVXAUSA-N 1 1 304.390 3.293 20 5 DGBDMO COc1ccc(C[C@@H](C)[N@H+]2CCC[C@H](F)CC2)c([N+](=O)[O-])c1 ZINC001170328384 1082348009 /nfs/dbraw/zinc/34/80/09/1082348009.db2.gz KGZYQAZUCAFMTD-OCCSQVGLSA-N 1 1 310.369 3.358 20 5 DGBDMO Cc1ccc([N+](=O)[O-])c(C)c1C[N@@H+]1CCC[C@@](CO)(C(C)C)C1 ZINC001182006889 1083612868 /nfs/dbraw/zinc/61/28/68/1083612868.db2.gz AJQIQIBSUGYWCK-GOSISDBHSA-N 1 1 320.433 3.442 20 5 DGBDMO C[N@H+]1CCC[C@@H](Oc2cc(Cl)c(Cl)cc2[N+](=O)[O-])C1 ZINC001227129633 1086499064 /nfs/dbraw/zinc/49/90/64/1086499064.db2.gz LLOAWJLKYCMGGG-MRVPVSSYSA-N 1 1 305.161 3.375 20 5 DGBDMO CC(C)[NH+]1CC(Nc2cc([N+](=O)[O-])cc(C(F)(F)F)c2)C1 ZINC001168315632 1087291553 /nfs/dbraw/zinc/29/15/53/1087291553.db2.gz UMFBKVIOBRWSEG-UHFFFAOYSA-N 1 1 303.284 3.118 20 5 DGBDMO O=[N+]([O-])c1cccc(C[N@@H+]2CC[C@@H]3C[C@@H]3C2)c1Br ZINC000699211104 1087897983 /nfs/dbraw/zinc/89/79/83/1087897983.db2.gz XRVJXDYFLNMEHS-MWLCHTKSSA-N 1 1 311.179 3.199 20 5 DGBDMO O=[N+]([O-])c1cccc(C[N@H+]2CC[C@@H]3C[C@@H]3C2)c1Br ZINC000699211104 1087897998 /nfs/dbraw/zinc/89/79/98/1087897998.db2.gz XRVJXDYFLNMEHS-MWLCHTKSSA-N 1 1 311.179 3.199 20 5 DGBDMO C[N@H+]1CCC[C@H](CCNc2ccc3cccc([N+](=O)[O-])c3n2)C1 ZINC001156377736 1089495064 /nfs/dbraw/zinc/49/50/64/1089495064.db2.gz CNBKGFQISHHCFZ-CYBMUJFWSA-N 1 1 314.389 3.287 20 5 DGBDMO Cc1cc([N+](=O)[O-])c(NCC[C@H]2CCC[N@H+](C)C2)nc1Cl ZINC001156379961 1089498243 /nfs/dbraw/zinc/49/82/43/1089498243.db2.gz XQMFDTDTDIPCMZ-LLVKDONJSA-N 1 1 312.801 3.095 20 5 DGBDMO CC(C)[N@@H+](C)[C@@H]1CCN(c2ccc3cccc([N+](=O)[O-])c3n2)C1 ZINC001157009495 1089785803 /nfs/dbraw/zinc/78/58/03/1089785803.db2.gz JBBLEMYEYRXCSD-CQSZACIVSA-N 1 1 314.389 3.062 20 5 DGBDMO CC(C)[N@@H+](C)[C@@H]1CCN(c2ccc3ccc([N+](=O)[O-])cc3n2)C1 ZINC001157009835 1089786501 /nfs/dbraw/zinc/78/65/01/1089786501.db2.gz NGOWMYXZOAFOSL-OAHLLOKOSA-N 1 1 314.389 3.062 20 5 DGBDMO CCOc1cc(NCCC[N@@H+](C)CC(C)C)ccc1[N+](=O)[O-] ZINC001163656482 1090224916 /nfs/dbraw/zinc/22/49/16/1090224916.db2.gz GQOZCOHDPYCQPV-UHFFFAOYSA-N 1 1 309.410 3.383 20 5 DGBDMO C[N@H+]1CCC[C@H](CCNc2cc3cccnc3c([N+](=O)[O-])c2)C1 ZINC001165290180 1090497883 /nfs/dbraw/zinc/49/78/83/1090497883.db2.gz PUJAOZVWDSVTLE-CYBMUJFWSA-N 1 1 314.389 3.287 20 5 DGBDMO CCCn1cc(C[NH2+][C@H](C)c2ccccc2[N+](=O)[O-])c(C)n1 ZINC001203565681 1090757920 /nfs/dbraw/zinc/75/79/20/1090757920.db2.gz IBZDGTZQYZSYAU-CYBMUJFWSA-N 1 1 302.378 3.361 20 5 DGBDMO Cc1c(Nc2c[nH+]c3ccccn23)cc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC001211292024 1093447383 /nfs/dbraw/zinc/44/73/83/1093447383.db2.gz GSGANOQHUVIQPI-UHFFFAOYSA-N 1 1 313.273 3.203 20 5 DGBDMO Cc1cc(NC(=O)[C@@]2(F)CC[N@H+](C(C)(C)C)C2)cc([N+](=O)[O-])c1 ZINC001135146316 1094420531 /nfs/dbraw/zinc/42/05/31/1094420531.db2.gz LPDUFYVQOQQKPX-MRXNPFEDSA-N 1 1 323.368 3.054 20 5 DGBDMO C[C@@H]1CN(c2cc[nH+]c3ccc([N+](=O)[O-])cc32)[C@H](C)CCO1 ZINC001337381586 1094953768 /nfs/dbraw/zinc/95/37/68/1094953768.db2.gz ILOPUVDBPQRWOQ-VXGBXAGGSA-N 1 1 301.346 3.147 20 5 DGBDMO COc1ccc(C[C@H](C)[N@@H+](C)Cc2cccnc2[N+](=O)[O-])cc1 ZINC001337585947 1095028931 /nfs/dbraw/zinc/02/89/31/1095028931.db2.gz NQFVKRCBWXZBMW-ZDUSSCGKSA-N 1 1 315.373 3.061 20 5 DGBDMO O=[N+]([O-])c1ccc2[nH+]ccc(N3CCC(c4c[nH]cn4)CC3)c2c1 ZINC001337797789 1095099538 /nfs/dbraw/zinc/09/95/38/1095099538.db2.gz DGYSQKNNDTYSEJ-UHFFFAOYSA-N 1 1 323.356 3.250 20 5 DGBDMO C[C@@H](Nc1ccc(N)cc1[N+](=O)[O-])[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC001337914511 1095137891 /nfs/dbraw/zinc/13/78/91/1095137891.db2.gz MWVSSVSIAFFFTD-CHWSQXEVSA-N 1 1 318.421 3.242 20 5 DGBDMO Cn1cc[nH+]c1CCNc1c(Cl)c(Cl)ccc1[N+](=O)[O-] ZINC001339472114 1095634545 /nfs/dbraw/zinc/63/45/45/1095634545.db2.gz KQNMXGBFTOHTBL-UHFFFAOYSA-N 1 1 315.160 3.290 20 5 DGBDMO C[N@H+]1CCN(c2ccnc3c2cccc3[N+](=O)[O-])CCC1(C)C ZINC001118991839 1096118504 /nfs/dbraw/zinc/11/85/04/1096118504.db2.gz PXSZPRUZAWSTCQ-UHFFFAOYSA-N 1 1 314.389 3.064 20 5 DGBDMO O=[N+]([O-])c1ccc(CCOC2C[NH+](Cc3ccccc3)C2)cc1 ZINC001224329169 1096190553 /nfs/dbraw/zinc/19/05/53/1096190553.db2.gz YVNZKTUGUNPBAZ-UHFFFAOYSA-N 1 1 312.369 3.038 20 5 DGBDMO C[N@H+]1CCC[C@H]1CO[C@@H](c1ccc([N+](=O)[O-])cc1)C(F)(F)F ZINC001224830001 1096297132 /nfs/dbraw/zinc/29/71/32/1096297132.db2.gz LGSXQOYNORPOGN-STQMWFEESA-N 1 1 318.295 3.309 20 5 DGBDMO C[C@H](Oc1cccnc1C[NH+](C)C)c1ccccc1[N+](=O)[O-] ZINC001225279115 1096382173 /nfs/dbraw/zinc/38/21/73/1096382173.db2.gz URHRJJGQXVUOFS-LBPRGKRZSA-N 1 1 301.346 3.191 20 5 DGBDMO C[N@H+]1CCC[C@@H](Oc2ccc([N+](=O)[O-])c(C(F)(F)F)c2)CC1 ZINC001225919071 1096564228 /nfs/dbraw/zinc/56/42/28/1096564228.db2.gz OTVDSIGAEGXTDT-SNVBAGLBSA-N 1 1 318.295 3.477 20 5 DGBDMO C[N@H+]1CCC[C@H](Oc2ccc([N+](=O)[O-])c(C(F)(F)F)c2)C1 ZINC001225918974 1096564338 /nfs/dbraw/zinc/56/43/38/1096564338.db2.gz NNQNSXXXCLQUAK-JTQLQIEISA-N 1 1 304.268 3.087 20 5 DGBDMO CC(C)[N@H+]1CC[C@@H](Oc2cc(F)c(Cl)cc2[N+](=O)[O-])C1 ZINC001227154378 1096881650 /nfs/dbraw/zinc/88/16/50/1096881650.db2.gz QQIAMCDENUEEHT-SECBINFHSA-N 1 1 302.733 3.249 20 5 DGBDMO C[C@H](c1ccccn1)[N@H+]1CC[C@@H](Oc2ccccc2[N+](=O)[O-])C1 ZINC001227484566 1096939474 /nfs/dbraw/zinc/93/94/74/1096939474.db2.gz RSKXDQWQTVMQQH-ZIAGYGMSSA-N 1 1 313.357 3.204 20 5 DGBDMO C[N@@H+]1CCO[C@@H](COc2cccc3ccc4cccnc4c32)C1 ZINC001227763893 1096984102 /nfs/dbraw/zinc/98/41/02/1096984102.db2.gz HTYJPVODHFTJAZ-MRXNPFEDSA-N 1 1 308.381 3.097 20 5 DGBDMO C[N@H+]1CCO[C@@H](COc2cccc3ccc4cccnc4c32)C1 ZINC001227763893 1096984108 /nfs/dbraw/zinc/98/41/08/1096984108.db2.gz HTYJPVODHFTJAZ-MRXNPFEDSA-N 1 1 308.381 3.097 20 5 DGBDMO CO[C@@H]1CC[N@@H+](CCOc2cccc3ccc4cccnc4c32)C1 ZINC001227764471 1096984136 /nfs/dbraw/zinc/98/41/36/1096984136.db2.gz OAKFBVXZZUWFCM-QGZVFWFLSA-N 1 1 322.408 3.488 20 5 DGBDMO O=[N+]([O-])c1ccc2c(c1)CC[C@@H]([N@H+]1C[C@@H]3C[C@@H]3[C@@H](F)C1)CC2 ZINC001172902418 1097268060 /nfs/dbraw/zinc/26/80/60/1097268060.db2.gz BGXXFDSNVBRFMJ-OTRWWLKZSA-N 1 1 304.365 3.132 20 5 DGBDMO CC(C)O[C@@H]1CC[N@H+]([C@@H]2CCc3ccc([N+](=O)[O-])cc3CC2)C1 ZINC001172912067 1097292425 /nfs/dbraw/zinc/29/24/25/1097292425.db2.gz IKNWHYQPVNUKHL-SJLPKXTDSA-N 1 1 318.417 3.342 20 5 DGBDMO C[C@@]1(O)CCCC[N@H+]([C@H]2CCc3ccc([N+](=O)[O-])cc3CC2)C1 ZINC001172910439 1097292483 /nfs/dbraw/zinc/29/24/83/1097292483.db2.gz ZYQWGDSSSYNTMF-FUHWJXTLSA-N 1 1 318.417 3.079 20 5 DGBDMO C[C@H](Cc1ccc([N+](=O)[O-])cc1)[N@H+]1CC(C)(C)C[C@]1(C)CO ZINC001173221046 1097372123 /nfs/dbraw/zinc/37/21/23/1097372123.db2.gz FNCOXDVTQVTBHQ-CXAGYDPISA-N 1 1 306.406 3.009 20 5 DGBDMO C[C@H](Cc1ccc([N+](=O)[O-])cc1)[N@H+]1CC[C@@H]2CCCO[C@@H]2C1 ZINC001173223020 1097373149 /nfs/dbraw/zinc/37/31/49/1097373149.db2.gz WJYUYZJAZVRIIZ-UKPHBRMFSA-N 1 1 304.390 3.027 20 5 DGBDMO C[C@H](Cc1ccc([N+](=O)[O-])cc1)[N@H+]1CC[C@@H](c2ccccn2)C1 ZINC001173225125 1097374323 /nfs/dbraw/zinc/37/43/23/1097374323.db2.gz BNFOUQWFDCBPKE-GDBMZVCRSA-N 1 1 311.385 3.410 20 5 DGBDMO C[C@H](Cc1ccc([N+](=O)[O-])cc1)[N@H+]1CCC(=O)[C@@H]2CCCC[C@@H]21 ZINC001173225501 1097374902 /nfs/dbraw/zinc/37/49/02/1097374902.db2.gz KDLZRYLCHMEJAV-XYPHTWIQSA-N 1 1 316.401 3.359 20 5 DGBDMO C[C@@H](Cc1ccc([N+](=O)[O-])cc1)[N@@H+](C)Cc1cccc(O)c1 ZINC001173229372 1097376135 /nfs/dbraw/zinc/37/61/35/1097376135.db2.gz TWGFIDLKMOQJCM-ZDUSSCGKSA-N 1 1 300.358 3.363 20 5 DGBDMO CCC[N@@H+]([C@@H](C)Cc1ccc([N+](=O)[O-])cc1)C1CCOCC1 ZINC001173233836 1097378054 /nfs/dbraw/zinc/37/80/54/1097378054.db2.gz ZOPXPYBAUKNYBF-AWEZNQCLSA-N 1 1 306.406 3.417 20 5 DGBDMO C[C@H](Cc1ccc([N+](=O)[O-])cc1)[N@H+]1CC[C@H](COCC2CC2)C1 ZINC001173235461 1097378073 /nfs/dbraw/zinc/37/80/73/1097378073.db2.gz XKOAFSMGKRPELD-PBHICJAKSA-N 1 1 318.417 3.274 20 5 DGBDMO O=[N+]([O-])c1ccc(O[C@H]2C[NH+]3CCC2CC3)c(Cl)c1Cl ZINC001230039990 1097434548 /nfs/dbraw/zinc/43/45/48/1097434548.db2.gz IXGYBYMMXBETFE-NSHDSACASA-N 1 1 317.172 3.375 20 5 DGBDMO C[N@@H+]1[C@@H]2CC[C@H]1C[C@H](Oc1cnc3c(cccc3[N+](=O)[O-])c1)C2 ZINC001231157598 1097684301 /nfs/dbraw/zinc/68/43/01/1097684301.db2.gz FYJOEMVUVUPPHS-BTTYYORXSA-N 1 1 313.357 3.147 20 5 DGBDMO C[C@H]1C[N@@H+](Cc2ccc3ccc4cccnc4c3n2)CCCO1 ZINC001232219117 1097971472 /nfs/dbraw/zinc/97/14/72/1097971472.db2.gz RSHGCDHBKRJNKF-AWEZNQCLSA-N 1 1 307.397 3.394 20 5 DGBDMO COC[C@@H]1CCC[N@H+]1Cc1ccc2ccc3cccnc3c2n1 ZINC001232219101 1097971949 /nfs/dbraw/zinc/97/19/49/1097971949.db2.gz RAMWDXBCSNSERU-KRWDZBQOSA-N 1 1 307.397 3.394 20 5 DGBDMO C[C@H]1C[N@@H+](Cc2ccc3ccc4cccnc4c3n2)CC[C@]1(C)O ZINC001232218844 1097972013 /nfs/dbraw/zinc/97/20/13/1097972013.db2.gz MJBVIOMKKTYFJW-XOBRGWDASA-N 1 1 321.424 3.376 20 5 DGBDMO CC(C)[N@H+]1CC[C@H](Oc2ccc3cccc([N+](=O)[O-])c3n2)C1 ZINC001233835637 1098439577 /nfs/dbraw/zinc/43/95/77/1098439577.db2.gz AOUSEXNCLOMVCB-ZDUSSCGKSA-N 1 1 301.346 3.005 20 5 DGBDMO CCCCCC(=O)NCCC[N@@H+](C)Cc1cccc([N+](=O)[O-])c1 ZINC001233978040 1098470706 /nfs/dbraw/zinc/47/07/06/1098470706.db2.gz OMYATRICPVALOF-UHFFFAOYSA-N 1 1 321.421 3.113 20 5 DGBDMO C[N@H+]1CCc2c(cccc2O[C@H]2Cc3ccc([N+](=O)[O-])cc3C2)C1 ZINC001234420281 1098551967 /nfs/dbraw/zinc/55/19/67/1098551967.db2.gz PGRPQWZINDZEHT-KRWDZBQOSA-N 1 1 324.380 3.129 20 5 DGBDMO Cc1c(CN2CC[N@H+](C)CC23CCCCC3)cccc1[N+](=O)[O-] ZINC001191307731 1100447337 /nfs/dbraw/zinc/44/73/37/1100447337.db2.gz ZNLKHDKOTXNSIB-UHFFFAOYSA-N 1 1 317.433 3.354 20 5 DGBDMO O=[N+]([O-])c1cc(F)ccc1C[N@@H+]1CCC=C(c2cccnc2)C1 ZINC001194772911 1101011636 /nfs/dbraw/zinc/01/16/36/1101011636.db2.gz UNBHNFGLKZLZME-UHFFFAOYSA-N 1 1 313.332 3.418 20 5 DGBDMO O=[N+]([O-])c1cc(F)ccc1C[N@H+]1CCC=C(c2cccnc2)C1 ZINC001194772911 1101011643 /nfs/dbraw/zinc/01/16/43/1101011643.db2.gz UNBHNFGLKZLZME-UHFFFAOYSA-N 1 1 313.332 3.418 20 5 DGBDMO C[C@H]1C[N@@H+](CCOc2cccc([N+](=O)[O-])c2)CC2(CCCC2)O1 ZINC001195799831 1101204179 /nfs/dbraw/zinc/20/41/79/1101204179.db2.gz XNAREESZBTUTEJ-AWEZNQCLSA-N 1 1 320.389 3.007 20 5 DGBDMO Cc1ccc(CN2CC[N@@H+](C3CCCC3)[C@@H](C)C2)cc1[N+](=O)[O-] ZINC001197808683 1101671749 /nfs/dbraw/zinc/67/17/49/1101671749.db2.gz JHCTXMUYOHROHD-HNNXBMFYSA-N 1 1 317.433 3.352 20 5 DGBDMO O=[N+]([O-])c1cc(C[N@@H+]2CC[C@H](c3cnccn3)C2)ccc1Cl ZINC001198157597 1101772567 /nfs/dbraw/zinc/77/25/67/1101772567.db2.gz RFEULYPLKBCVJC-LBPRGKRZSA-N 1 1 318.764 3.028 20 5 DGBDMO O=[N+]([O-])c1cc(C[N@H+]2CC[C@H](c3cnccn3)C2)ccc1Cl ZINC001198157597 1101772577 /nfs/dbraw/zinc/77/25/77/1101772577.db2.gz RFEULYPLKBCVJC-LBPRGKRZSA-N 1 1 318.764 3.028 20 5 DGBDMO CO[C@H](C)C[N@@H+](Cc1cc([N+](=O)[O-])ccc1Cl)C(C)C ZINC000688081139 1103195206 /nfs/dbraw/zinc/19/52/06/1103195206.db2.gz GQDHJDJAGRAADN-LLVKDONJSA-N 1 1 300.786 3.494 20 5 DGBDMO Cc1cc(C)c(CSCCn2cc([N+](=O)[O-])cn2)c(C)[nH+]1 ZINC001329708498 1104368402 /nfs/dbraw/zinc/36/84/02/1104368402.db2.gz DDJUUCCSSXNWFC-UHFFFAOYSA-N 1 1 306.391 3.045 20 5 DGBDMO CCC[N@H+]1CCCC[C@H]1C(=O)N[C@@H](C)c1ccccc1[N+](=O)[O-] ZINC001329867448 1104402761 /nfs/dbraw/zinc/40/27/61/1104402761.db2.gz POGHKCULBSKGQU-BBRMVZONSA-N 1 1 319.405 3.037 20 5 DGBDMO Cc1ccc([N+](=O)[O-])c(C)c1C[N@H+](CCN(C)C)CC(C)C ZINC001462207452 1105362259 /nfs/dbraw/zinc/36/22/59/1105362259.db2.gz RZLQNSRIXLULRB-UHFFFAOYSA-N 1 1 307.438 3.231 20 5 DGBDMO Cc1ccc([N+](=O)[O-])c(C)c1CN(CC[NH+](C)C)CC(C)C ZINC001462207452 1105362265 /nfs/dbraw/zinc/36/22/65/1105362265.db2.gz RZLQNSRIXLULRB-UHFFFAOYSA-N 1 1 307.438 3.231 20 5 DGBDMO C[NH+](C)Cc1ccc2nc(-c3csc([N+](=O)[O-])c3)[nH]c2c1 ZINC001250928380 1105605889 /nfs/dbraw/zinc/60/58/89/1105605889.db2.gz NYOKTKUVIGIMQH-UHFFFAOYSA-N 1 1 302.359 3.261 20 5 DGBDMO CS[C@@H]1CC[C@@H]([N@@H+](C)CCOc2ccccc2[N+](=O)[O-])C1 ZINC001252286082 1105762449 /nfs/dbraw/zinc/76/24/49/1105762449.db2.gz BYIBKMSXFNKEEK-CHWSQXEVSA-N 1 1 310.419 3.190 20 5 DGBDMO O=[N+]([O-])c1ccc(N2CCC([N@@H+](CC3CC3)C3CC3)CC2)cc1 ZINC001254480724 1106079247 /nfs/dbraw/zinc/07/92/47/1106079247.db2.gz MIHKPSHOOLUBJX-UHFFFAOYSA-N 1 1 315.417 3.438 20 5 DGBDMO C[C@H](Cc1ccccc1[N+](=O)[O-])[N@H+]1CCC[C@@](C)(CO)CC1 ZINC001254553745 1106102592 /nfs/dbraw/zinc/10/25/92/1106102592.db2.gz YISFSOLXPMRKKV-RHSMWYFYSA-N 1 1 306.406 3.010 20 5 DGBDMO CO[C@H]1CCC[C@@H]2C[N@H+]([C@@H](C)Cc3ccccc3[N+](=O)[O-])C[C@@H]21 ZINC001254556407 1106103548 /nfs/dbraw/zinc/10/35/48/1106103548.db2.gz KVTXMSILOWPRIY-DNMXQMFDSA-N 1 1 318.417 3.273 20 5 DGBDMO C[C@@H](Cc1ccccc1[N+](=O)[O-])[N@H+]1CC[C@H](c2cccnc2)C1 ZINC001254562619 1106103850 /nfs/dbraw/zinc/10/38/50/1106103850.db2.gz ODXAFRCICYBSHR-YOEHRIQHSA-N 1 1 311.385 3.410 20 5 DGBDMO C[C@@H](Cc1ccccc1[N+](=O)[O-])[N@H+]1CC[C@]2(C1)CCCOC2 ZINC001254563824 1106104017 /nfs/dbraw/zinc/10/40/17/1106104017.db2.gz DLNPKGLMOJHLND-YOEHRIQHSA-N 1 1 304.390 3.028 20 5 DGBDMO C[C@H](Cc1ccccc1[N+](=O)[O-])[N@H+]1CCC[C@@H]1c1cnccn1 ZINC001254562604 1106104376 /nfs/dbraw/zinc/10/43/76/1106104376.db2.gz NZXDGRSETRUMBH-CXAGYDPISA-N 1 1 312.373 3.153 20 5 DGBDMO C[C@H](Cc1ccccc1[N+](=O)[O-])[N@H+]1CCC[C@H]1c1cnccn1 ZINC001254562605 1106104421 /nfs/dbraw/zinc/10/44/21/1106104421.db2.gz NZXDGRSETRUMBH-DYVFJYSZSA-N 1 1 312.373 3.153 20 5 DGBDMO C[C@H](Cc1ccccc1[N+](=O)[O-])[N@@H+]1CCC[C@H]1c1ncccn1 ZINC001254568542 1106105735 /nfs/dbraw/zinc/10/57/35/1106105735.db2.gz GZQZILYDKOZRNE-CJNGLKHVSA-N 1 1 312.373 3.153 20 5 DGBDMO C[C@H](Cc1ccccc1[N+](=O)[O-])[N@H+]1CCC[C@H]1c1ncccn1 ZINC001254568542 1106105737 /nfs/dbraw/zinc/10/57/37/1106105737.db2.gz GZQZILYDKOZRNE-CJNGLKHVSA-N 1 1 312.373 3.153 20 5 DGBDMO CC1(C)C[N@H+]([C@H]2Cc3ccc([N+](=O)[O-])cc3C2)CCC1(F)F ZINC001254595696 1106109983 /nfs/dbraw/zinc/10/99/83/1106109983.db2.gz YKTVSJWQUWSHDO-AWEZNQCLSA-N 1 1 310.344 3.429 20 5 DGBDMO O=[N+]([O-])c1ccc2c(c1)C[C@H]([N@H+]1CCC[C@H]1c1ccncc1)C2 ZINC001254599575 1106110573 /nfs/dbraw/zinc/11/05/73/1106110573.db2.gz MUVHCBFZHNOEAA-MSOLQXFVSA-N 1 1 309.369 3.294 20 5 DGBDMO C[N@@H+](CCc1ccc(F)cc1)[C@@H]1Cc2ccc([N+](=O)[O-])cc2C1 ZINC001254602570 1106111745 /nfs/dbraw/zinc/11/17/45/1106111745.db2.gz GLRYRZHBULUIQS-GOSISDBHSA-N 1 1 314.360 3.376 20 5 DGBDMO C[N@@H+](CCc1cccc(F)c1)[C@@H]1Cc2ccc([N+](=O)[O-])cc2C1 ZINC001254611814 1106113355 /nfs/dbraw/zinc/11/33/55/1106113355.db2.gz TYZVKGZVANBHSK-GOSISDBHSA-N 1 1 314.360 3.376 20 5 DGBDMO CCC[N@@H+](CC)C1CCN(c2ccc([N+](=O)[O-])c(OC)c2)CC1 ZINC001256094945 1106368635 /nfs/dbraw/zinc/36/86/35/1106368635.db2.gz RJOJAEQGSYCIPW-UHFFFAOYSA-N 1 1 321.421 3.304 20 5 DGBDMO CS[C@H]1CC[C@@H]([N@@H+](C)Cc2nc3cc([N+](=O)[O-])ccc3[nH]2)C1 ZINC001320814036 1107145945 /nfs/dbraw/zinc/14/59/45/1107145945.db2.gz JLSOJNQIQAAZMM-PWSUYJOCSA-N 1 1 320.418 3.187 20 5 DGBDMO C/C(=C\c1cccc([N+](=O)[O-])c1)CN1CCC[N@H+]2CCC[C@H]2C1 ZINC001320951096 1107201270 /nfs/dbraw/zinc/20/12/70/1107201270.db2.gz JICMHJXCRHSUIF-OTMARIDSSA-N 1 1 315.417 3.168 20 5 DGBDMO CN(C)[C@@H]1CCCC[C@H]1[NH2+]Cc1ccc([N+](=O)[O-])c(Cl)c1 ZINC001321635725 1107398889 /nfs/dbraw/zinc/39/88/89/1107398889.db2.gz GTBUALKMGGUZIT-UKRRQHHQSA-N 1 1 311.813 3.211 20 5 DGBDMO Cc1nnsc1[C@H](C)[NH2+][C@@H](C)c1ccc(C)c([N+](=O)[O-])c1 ZINC001262238491 1107655369 /nfs/dbraw/zinc/65/53/69/1107655369.db2.gz ANXVJHNEDHTXFK-UWVGGRQHSA-N 1 1 306.391 3.475 20 5 DGBDMO CC[N@@H+](Cc1nnc(-c2ccc([N+](=O)[O-])cc2)o1)C(C)(C)C ZINC001324437584 1108288167 /nfs/dbraw/zinc/28/81/67/1108288167.db2.gz CXHVWIRUIKJGRI-UHFFFAOYSA-N 1 1 304.350 3.265 20 5 DGBDMO O=[N+]([O-])c1ccc(Cl)cc1C[N@H+]1CC[C@@H]2OCCC[C@@H]2C1 ZINC001319822285 1108651910 /nfs/dbraw/zinc/65/19/10/1108651910.db2.gz BARWBLRKMUVPLL-ABAIWWIYSA-N 1 1 310.781 3.249 20 5 DGBDMO CC[N@@H+]1[C@H](C)CN(Cc2cc(Cl)ccc2[N+](=O)[O-])C[C@@H]1C ZINC001307886567 1111350819 /nfs/dbraw/zinc/35/08/19/1111350819.db2.gz BLSIJMCTFCNDRD-TXEJJXNPSA-N 1 1 311.813 3.163 20 5 DGBDMO COC(=O)C(C)(C)C[N@H+](Cc1cccc([N+](=O)[O-])c1)CC(C)C ZINC001308033710 1111368943 /nfs/dbraw/zinc/36/89/43/1111368943.db2.gz PKCAGGAWZAWCOA-UHFFFAOYSA-N 1 1 322.405 3.252 20 5 DGBDMO C[C@H](C[N@@H+](C)CC(=O)Nc1ccccc1[N+](=O)[O-])C(C)(C)C ZINC001308060661 1111372571 /nfs/dbraw/zinc/37/25/71/1111372571.db2.gz ACCDYTPIFUQTGV-GFCCVEGCSA-N 1 1 307.394 3.147 20 5 DGBDMO Cc1ccc([N+](=O)[O-])c(C)c1C[NH2+]C[C@H](C(C)C)N1CCCC1 ZINC001308193192 1111394664 /nfs/dbraw/zinc/39/46/64/1111394664.db2.gz AUCKUUHSQVUGOI-GOSISDBHSA-N 1 1 319.449 3.422 20 5 DGBDMO COCCSCCC[N@@H+](Cc1ccc([N+](=O)[O-])cc1)C1CC1 ZINC000278367215 214121767 /nfs/dbraw/zinc/12/17/67/214121767.db2.gz FWBFZGOBQYRTRN-UHFFFAOYSA-N 1 1 324.446 3.329 20 5 DGBDMO Cc1cccn2cc(C[NH2+]Cc3ccc(C)c([N+](=O)[O-])c3)nc12 ZINC000076894845 185050843 /nfs/dbraw/zinc/05/08/43/185050843.db2.gz NWVWYLVSPBQFFH-UHFFFAOYSA-N 1 1 310.357 3.149 20 5 DGBDMO O=[N+]([O-])c1cc(C[NH2+]Cc2cncs2)cc(C(F)(F)F)c1 ZINC000278679373 214320981 /nfs/dbraw/zinc/32/09/81/214320981.db2.gz HYGYEPIDVMVFGW-UHFFFAOYSA-N 1 1 317.292 3.360 20 5 DGBDMO C[C@@H]1[C@H](Nc2ncccc2[N+](=O)[O-])CC[N@H+]1Cc1ccccc1 ZINC000309927019 231107841 /nfs/dbraw/zinc/10/78/41/231107841.db2.gz XQALUTNZAQIOQO-UKRRQHHQSA-N 1 1 312.373 3.065 20 5 DGBDMO C[C@H]1C[C@H](Nc2ccc([N+](=O)[O-])c3cnccc23)CC[N@H+]1C ZINC000316806988 231154173 /nfs/dbraw/zinc/15/41/73/231154173.db2.gz PKSGLUFXEBEDIE-NWDGAFQWSA-N 1 1 300.362 3.038 20 5 DGBDMO Cc1c(NC(=O)CC[N@@H+]2CCC[C@H](C)CC2)cccc1[N+](=O)[O-] ZINC000063309324 432004947 /nfs/dbraw/zinc/00/49/47/432004947.db2.gz RLFQRPUOUGNJJE-ZDUSSCGKSA-N 1 1 319.405 3.354 20 5 DGBDMO Cn1cccc1[C@H]1CCC[N@H+]1CCOc1ccc([N+](=O)[O-])cc1 ZINC000065208873 432011288 /nfs/dbraw/zinc/01/12/88/432011288.db2.gz VJZOLWVCWQIRJS-QGZVFWFLSA-N 1 1 315.373 3.149 20 5 DGBDMO C[N@H+]1CCC[C@@H](CCNc2ccc3ncccc3c2[N+](=O)[O-])C1 ZINC000413437735 530054999 /nfs/dbraw/zinc/05/49/99/530054999.db2.gz KQSZHMVPBUJDGQ-ZDUSSCGKSA-N 1 1 314.389 3.287 20 5 DGBDMO C[N@H+]1CCC[C@@H](CCNc2ccc([N+](=O)[O-])c3cnccc23)C1 ZINC000413440927 530055044 /nfs/dbraw/zinc/05/50/44/530055044.db2.gz PCCYZCFWNOXJGZ-ZDUSSCGKSA-N 1 1 314.389 3.287 20 5 DGBDMO Cc1ccnc(N[C@H](C)[C@@H]2CCC[N@H+](C3CCC3)C2)c1[N+](=O)[O-] ZINC000272660630 210064994 /nfs/dbraw/zinc/06/49/94/210064994.db2.gz BUWMEZVUVTZISK-ZIAGYGMSSA-N 1 1 318.421 3.363 20 5 DGBDMO Cn1ccnc1[C@@H]([NH2+][C@H]1CCC1(C)C)c1ccc([N+](=O)[O-])cc1 ZINC000287015617 219270748 /nfs/dbraw/zinc/27/07/48/219270748.db2.gz KVTLJOCBVISGRI-GJZGRUSLSA-N 1 1 314.389 3.196 20 5 DGBDMO CC(C)C[C@H]1CCC[N@H+]1Cc1cc([N+](=O)[O-])cc2c1OCOC2 ZINC000130342805 432021822 /nfs/dbraw/zinc/02/18/22/432021822.db2.gz ANSKZAUXEDQYBZ-OAHLLOKOSA-N 1 1 320.389 3.472 20 5 DGBDMO CC(C)Oc1ccc([N+](=O)[O-])cc1C[N@H+]1CCC[C@](C)(O)CC1 ZINC000279995794 215299712 /nfs/dbraw/zinc/29/97/12/215299712.db2.gz JBGSHEGJLLUBRL-KRWDZBQOSA-N 1 1 322.405 3.119 20 5 DGBDMO Cc1cccc([N+](=O)[O-])c1NC(=O)C[N@@H+]1CCC[C@@H]2CCC[C@H]21 ZINC000331729371 234054442 /nfs/dbraw/zinc/05/44/42/234054442.db2.gz OQOIBWBRKRWTDK-UONOGXRCSA-N 1 1 317.389 3.106 20 5 DGBDMO Cc1cccc([N+](=O)[O-])c1NC(=O)C[N@H+]1CCC[C@@H]2CCC[C@H]21 ZINC000331729371 234054445 /nfs/dbraw/zinc/05/44/45/234054445.db2.gz OQOIBWBRKRWTDK-UONOGXRCSA-N 1 1 317.389 3.106 20 5 DGBDMO Cc1ccc(NC(=O)[C@H]2CCC[N@H+]2C2CCCC2)cc1[N+](=O)[O-] ZINC000331953964 234314785 /nfs/dbraw/zinc/31/47/85/234314785.db2.gz KLQAVOCLBYQTDP-OAHLLOKOSA-N 1 1 317.389 3.249 20 5 DGBDMO CCOc1cc(C[N@H+](C)Cc2cccnc2)ccc1[N+](=O)[O-] ZINC000276919200 213175188 /nfs/dbraw/zinc/17/51/88/213175188.db2.gz OVQKHMUZQDKSDN-UHFFFAOYSA-N 1 1 301.346 3.021 20 5 DGBDMO CCOc1cc(C[N@@H+](C)Cc2cccnc2)ccc1[N+](=O)[O-] ZINC000276919200 213175190 /nfs/dbraw/zinc/17/51/90/213175190.db2.gz OVQKHMUZQDKSDN-UHFFFAOYSA-N 1 1 301.346 3.021 20 5 DGBDMO CCOc1cc(C[N@H+]2CCC[C@]2(C)CCCO)ccc1[N+](=O)[O-] ZINC000276870638 213145324 /nfs/dbraw/zinc/14/53/24/213145324.db2.gz HOYMNOKELFWYHV-QGZVFWFLSA-N 1 1 322.405 3.121 20 5 DGBDMO C[N@@H+](Cc1cc([N+](=O)[O-])ccc1Cl)C1CCC(CO)CC1 ZINC000179243569 199004441 /nfs/dbraw/zinc/00/44/41/199004441.db2.gz YZCYSGDTYOWWGE-UHFFFAOYSA-N 1 1 312.797 3.231 20 5 DGBDMO C[N@@H+](Cc1ccc(Cl)cc1[N+](=O)[O-])[C@@H](CO)C(C)(C)C ZINC000134443976 432077531 /nfs/dbraw/zinc/07/75/31/432077531.db2.gz MAJOCDAFQYQENN-ZDUSSCGKSA-N 1 1 300.786 3.087 20 5 DGBDMO CC[C@]1(CO)CCC[N@H+](Cc2ccc([N+](=O)[O-])cc2Cl)C1 ZINC000187569973 200129714 /nfs/dbraw/zinc/12/97/14/200129714.db2.gz HRIRMXGXRWTUTQ-HNNXBMFYSA-N 1 1 312.797 3.233 20 5 DGBDMO CC[C@]1(CO)CCC[N@@H+](Cc2ccc([N+](=O)[O-])cc2Cl)C1 ZINC000187569973 200129716 /nfs/dbraw/zinc/12/97/16/200129716.db2.gz HRIRMXGXRWTUTQ-HNNXBMFYSA-N 1 1 312.797 3.233 20 5 DGBDMO C[C@@H]([NH2+]Cc1cn2ccsc2n1)c1cccc([N+](=O)[O-])c1 ZINC000180393140 432085150 /nfs/dbraw/zinc/08/51/50/432085150.db2.gz OWSKZCVYTGVWCA-SNVBAGLBSA-N 1 1 302.359 3.155 20 5 DGBDMO O=[N+]([O-])c1cccc(-c2cnc(CC[N@H+]3C[C@H]4CC[C@@H]3C4)o2)c1 ZINC000170913760 432087771 /nfs/dbraw/zinc/08/77/71/432087771.db2.gz BGLRZDRYVAKUSP-GXTWGEPZSA-N 1 1 313.357 3.277 20 5 DGBDMO Cc1c(CN2CC[N@H+]([C@@H]3C[C@H]3C)C[C@H](C)C2)cccc1[N+](=O)[O-] ZINC000429030713 238039225 /nfs/dbraw/zinc/03/92/25/238039225.db2.gz RYVULNDZTHURQM-HBUWYVDXSA-N 1 1 317.433 3.065 20 5 DGBDMO COc1ccc(OCC[N@@H+](C)[C@H]2CC[C@H](C)C2)c([N+](=O)[O-])c1 ZINC000429575859 238056043 /nfs/dbraw/zinc/05/60/43/238056043.db2.gz AWLMRIHPGJPPHF-STQMWFEESA-N 1 1 308.378 3.103 20 5 DGBDMO Cc1cccc(NCCNc2ccnc3c2cccc3[N+](=O)[O-])[nH+]1 ZINC000432332091 238125362 /nfs/dbraw/zinc/12/53/62/238125362.db2.gz UAJIDPAGSBXWNL-UHFFFAOYSA-N 1 1 323.356 3.370 20 5 DGBDMO C[C@H]1C[C@@H](O)CC[N@H+]1Cc1ccc(-c2ccccc2[N+](=O)[O-])o1 ZINC000292770323 223238198 /nfs/dbraw/zinc/23/81/98/223238198.db2.gz KLPZTHNMHBRJEC-STQMWFEESA-N 1 1 316.357 3.200 20 5 DGBDMO CC[C@H]([NH2+]Cc1cccnc1OC)c1cccc([N+](=O)[O-])c1 ZINC000193527131 201069400 /nfs/dbraw/zinc/06/94/00/201069400.db2.gz JUEXJLVWOCJLMM-HNNXBMFYSA-N 1 1 301.346 3.239 20 5 DGBDMO COc1ccc(OCC[N@H+]2CCCC(C)(C)CC2)c([N+](=O)[O-])c1 ZINC000441490049 239057825 /nfs/dbraw/zinc/05/78/25/239057825.db2.gz VKHXKJWVNGBLJZ-UHFFFAOYSA-N 1 1 322.405 3.494 20 5 DGBDMO C[C@H]1C[N@H+](Cc2nc3cc([N+](=O)[O-])ccc3[nH]2)CC(C)(C)C1 ZINC000444688438 239324332 /nfs/dbraw/zinc/32/43/32/239324332.db2.gz JUVNLQUUOKHKLU-LLVKDONJSA-N 1 1 302.378 3.339 20 5 DGBDMO C[C@H]1C[N@@H+](Cc2nc3cc([N+](=O)[O-])ccc3[nH]2)CC(C)(C)C1 ZINC000444688438 239324338 /nfs/dbraw/zinc/32/43/38/239324338.db2.gz JUVNLQUUOKHKLU-LLVKDONJSA-N 1 1 302.378 3.339 20 5 DGBDMO C[C@H](Cc1ccccc1[N+](=O)[O-])N[C@H]1CC[N@@H+](C2CCCC2)C1 ZINC000449123209 240027095 /nfs/dbraw/zinc/02/70/95/240027095.db2.gz BNZFODZLUVYBPW-ZBFHGGJFSA-N 1 1 317.433 3.132 20 5 DGBDMO C[C@H](Cc1ccccc1[N+](=O)[O-])N[C@H]1CC[N@H+](C2CCCC2)C1 ZINC000449123209 240027098 /nfs/dbraw/zinc/02/70/98/240027098.db2.gz BNZFODZLUVYBPW-ZBFHGGJFSA-N 1 1 317.433 3.132 20 5 DGBDMO C[C@@H](Cc1ccccc1[N+](=O)[O-])[NH2+]CC1(CN(C)C)CCCC1 ZINC000449243820 240087422 /nfs/dbraw/zinc/08/74/22/240087422.db2.gz NQCYQEOEQXPFDO-HNNXBMFYSA-N 1 1 319.449 3.237 20 5 DGBDMO CCC[N@H+](CC)C[C@@H](C)N[C@H](C)Cc1ccccc1[N+](=O)[O-] ZINC000449337288 240140814 /nfs/dbraw/zinc/14/08/14/240140814.db2.gz PIGHKEJIWOWOEL-HUUCEWRRSA-N 1 1 307.438 3.236 20 5 DGBDMO CCC[N@@H+](CC)C[C@@H](C)N[C@H](C)Cc1ccccc1[N+](=O)[O-] ZINC000449337288 240140818 /nfs/dbraw/zinc/14/08/18/240140818.db2.gz PIGHKEJIWOWOEL-HUUCEWRRSA-N 1 1 307.438 3.236 20 5 DGBDMO C[C@H](Cc1ccccc1[N+](=O)[O-])[NH2+]Cc1nccc(C(F)F)n1 ZINC000449330632 240133604 /nfs/dbraw/zinc/13/36/04/240133604.db2.gz LTVSCSCCBXTQIF-SNVBAGLBSA-N 1 1 322.315 3.043 20 5 DGBDMO CCOc1ccc([N+](=O)[O-])cc1C[N@@H+]1CC[C@@H](OCC)[C@H](C)C1 ZINC000449495972 240245689 /nfs/dbraw/zinc/24/56/89/240245689.db2.gz PDQOAIBGEHCSOV-CZUORRHYSA-N 1 1 322.405 3.240 20 5 DGBDMO CCn1cc(C[N@H+]2CCC[C@@H](c3ccc([N+](=O)[O-])cc3)C2)cn1 ZINC000449504251 240253202 /nfs/dbraw/zinc/25/32/02/240253202.db2.gz VMRCUMIHVSSERV-MRXNPFEDSA-N 1 1 314.389 3.191 20 5 DGBDMO CC[C@@H]1CC[N@H+]([C@H](C)c2nnc(-c3ccc([N+](=O)[O-])cc3)o2)C1 ZINC000246195363 432105515 /nfs/dbraw/zinc/10/55/15/432105515.db2.gz IJGKRKSWKLOIMW-VXGBXAGGSA-N 1 1 316.361 3.438 20 5 DGBDMO C[C@@H](c1ccncc1)[N@@H+](C)CCOc1ccc([N+](=O)[O-])cc1 ZINC000091989039 193138978 /nfs/dbraw/zinc/13/89/78/193138978.db2.gz SDNZFEHKURQMGE-ZDUSSCGKSA-N 1 1 301.346 3.062 20 5 DGBDMO Cc1ccc([N+](=O)[O-])cc1[C@H](C)N1CC[N@H+](C2CC2)C[C@H](C)C1 ZINC000451091938 241002002 /nfs/dbraw/zinc/00/20/02/241002002.db2.gz KVHBBCTYXHTUSM-HIFRSBDPSA-N 1 1 317.433 3.380 20 5 DGBDMO Cc1ccc([N+](=O)[O-])cc1[C@H](C)[N@@H+]1CCN(C2CC2)C[C@H](C)C1 ZINC000451091938 241002008 /nfs/dbraw/zinc/00/20/08/241002008.db2.gz KVHBBCTYXHTUSM-HIFRSBDPSA-N 1 1 317.433 3.380 20 5 DGBDMO Cc1ccc([N+](=O)[O-])cc1[C@H](C)[N@H+]1CCN(C2CC2)C[C@H](C)C1 ZINC000451091938 241002013 /nfs/dbraw/zinc/00/20/13/241002013.db2.gz KVHBBCTYXHTUSM-HIFRSBDPSA-N 1 1 317.433 3.380 20 5 DGBDMO O=[N+]([O-])c1ccc([C@@H]2CCC[N@@H+](CCc3cccnc3)C2)cc1 ZINC000451553250 241170474 /nfs/dbraw/zinc/17/04/74/241170474.db2.gz XYONHXCQRGQUGV-QGZVFWFLSA-N 1 1 311.385 3.412 20 5 DGBDMO CO[C@@H]1C[C@@H]([N@H+](C)Cc2c(F)cccc2[N+](=O)[O-])C12CCC2 ZINC000451859484 241256123 /nfs/dbraw/zinc/25/61/23/241256123.db2.gz VXCQQZZUMWVSKX-HUUCEWRRSA-N 1 1 308.353 3.123 20 5 DGBDMO CO[C@@H]1C[C@@H]([N@@H+](C)Cc2c(F)cccc2[N+](=O)[O-])C12CCC2 ZINC000451859484 241256126 /nfs/dbraw/zinc/25/61/26/241256126.db2.gz VXCQQZZUMWVSKX-HUUCEWRRSA-N 1 1 308.353 3.123 20 5 DGBDMO CC[N@@H+](C)C[C@H]1CCN(Cc2ccc(C(C)C)c([N+](=O)[O-])c2)C1 ZINC000093770370 284014399 /nfs/dbraw/zinc/01/43/99/284014399.db2.gz YOMNMAICXYYTPF-MRXNPFEDSA-N 1 1 319.449 3.492 20 5 DGBDMO CC[C@@H](C)C[N@@H+](C)CC(=O)Nc1ccc(Cl)cc1[N+](=O)[O-] ZINC000111254920 284077012 /nfs/dbraw/zinc/07/70/12/284077012.db2.gz TUASEQORMDPTBE-SNVBAGLBSA-N 1 1 313.785 3.165 20 5 DGBDMO CC[NH+](CC)C[C@@H](C)NC/C(C)=C\c1cccc([N+](=O)[O-])c1 ZINC000468630263 244057491 /nfs/dbraw/zinc/05/74/91/244057491.db2.gz OETXZYOJLLJSDH-BAAYTWLHSA-N 1 1 305.422 3.318 20 5 DGBDMO CCC[N@@H+](C/C(C)=C\c1cccc([N+](=O)[O-])c1)CC(C)(C)O ZINC000470175910 244156539 /nfs/dbraw/zinc/15/65/39/244156539.db2.gz TVCIKRKJFPKXFA-UVTDQMKNSA-N 1 1 306.406 3.481 20 5 DGBDMO C[C@H](NC[C@H](C)[NH+]1CCC(C)CC1)c1ccc([N+](=O)[O-])cc1 ZINC000119052304 284133162 /nfs/dbraw/zinc/13/31/62/284133162.db2.gz LHXAJUZLFKWMFZ-GJZGRUSLSA-N 1 1 305.422 3.366 20 5 DGBDMO CC(C)CO[C@H]1CC[N@H+](Cc2c(Cl)cccc2[N+](=O)[O-])C1 ZINC000119336633 284141162 /nfs/dbraw/zinc/14/11/62/284141162.db2.gz DYSFFDJRNXRJMX-LBPRGKRZSA-N 1 1 312.797 3.495 20 5 DGBDMO CC(C)CO[C@H]1CC[N@@H+](Cc2c(Cl)cccc2[N+](=O)[O-])C1 ZINC000119336633 284141167 /nfs/dbraw/zinc/14/11/67/284141167.db2.gz DYSFFDJRNXRJMX-LBPRGKRZSA-N 1 1 312.797 3.495 20 5 DGBDMO C[C@@H](Cc1ccc(O)cc1)[N@@H+](C)CCc1ccc([N+](=O)[O-])cc1 ZINC000119397458 284142630 /nfs/dbraw/zinc/14/26/30/284142630.db2.gz MKZZXQRTTHJNMW-AWEZNQCLSA-N 1 1 314.385 3.406 20 5 DGBDMO C[C@@H](c1cccnc1)[N@@H+](C)CCCOc1ccc([N+](=O)[O-])cc1 ZINC000093236689 193220329 /nfs/dbraw/zinc/22/03/29/193220329.db2.gz XGAXOHZYKQQTSB-AWEZNQCLSA-N 1 1 315.373 3.452 20 5 DGBDMO C[C@H]1OCC[N@H+](Cc2ccc(-c3ccccc3[N+](=O)[O-])o2)[C@@H]1C ZINC000093418125 193248971 /nfs/dbraw/zinc/24/89/71/193248971.db2.gz GKVUGBPAKPFTTQ-CHWSQXEVSA-N 1 1 316.357 3.464 20 5 DGBDMO C[C@H]1OCC[N@@H+](Cc2ccc(-c3ccccc3[N+](=O)[O-])o2)[C@@H]1C ZINC000093418125 193248973 /nfs/dbraw/zinc/24/89/73/193248973.db2.gz GKVUGBPAKPFTTQ-CHWSQXEVSA-N 1 1 316.357 3.464 20 5 DGBDMO CC[C@@H]1CCCC[C@@H]1[N@@H+](C)Cc1ccc(C(N)=O)cc1[N+](=O)[O-] ZINC000120829399 284179603 /nfs/dbraw/zinc/17/96/03/284179603.db2.gz KRLUGGNZADAIIJ-DOMZBBRYSA-N 1 1 319.405 3.094 20 5 DGBDMO CC(C)[C@@H]1CN(Cc2ccc([N+](=O)[O-])cc2Cl)CC[N@H+]1C ZINC000487999134 245132699 /nfs/dbraw/zinc/13/26/99/245132699.db2.gz KUNWKGGNDXGAOZ-HNNXBMFYSA-N 1 1 311.813 3.020 20 5 DGBDMO COCC[N@@H+](Cc1ccc([N+](=O)[O-])cc1F)[C@@H]1CCC[C@@H]1C ZINC000488059533 245141068 /nfs/dbraw/zinc/14/10/68/245141068.db2.gz BYILMPXJJSMNBS-BLLLJJGKSA-N 1 1 310.369 3.371 20 5 DGBDMO C[C@H]([NH2+]CC(=O)N1[C@H](C)CCC[C@H]1C)c1ccccc1[N+](=O)[O-] ZINC000271689399 209128399 /nfs/dbraw/zinc/12/83/99/209128399.db2.gz DYJOMZFZPFPDIA-MCIONIFRSA-N 1 1 319.405 3.035 20 5 DGBDMO Cn1cc(C[N@@H+](C)CC2CCC2)c(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000127766073 284350613 /nfs/dbraw/zinc/35/06/13/284350613.db2.gz HLHKUFQAPITCKJ-UHFFFAOYSA-N 1 1 314.389 3.227 20 5 DGBDMO Cc1c(C[N@H+](C)[C@@H]2CCCc3c2cnn3C)cccc1[N+](=O)[O-] ZINC000135628934 432130753 /nfs/dbraw/zinc/13/07/53/432130753.db2.gz OBAQNXUYKDRLKL-MRXNPFEDSA-N 1 1 314.389 3.146 20 5 DGBDMO CC[C@@]1(CO)CCC[N@@H+](C/C=C/c2ccccc2[N+](=O)[O-])C1 ZINC000190216742 432134024 /nfs/dbraw/zinc/13/40/24/432134024.db2.gz WUNCEYOPVKRTQJ-ZGRWHYIRSA-N 1 1 304.390 3.093 20 5 DGBDMO O=[N+]([O-])c1ccc(C[N@@H+]2CCC[C@H](OCC3CC3)C2)c(F)c1 ZINC000494688700 246180368 /nfs/dbraw/zinc/18/03/68/246180368.db2.gz FZWBPTBCOKOZTM-HNNXBMFYSA-N 1 1 308.353 3.125 20 5 DGBDMO O=[N+]([O-])c1ccc(C[N@H+]2CCC[C@H](OCC3CC3)C2)c(F)c1 ZINC000494688700 246180371 /nfs/dbraw/zinc/18/03/71/246180371.db2.gz FZWBPTBCOKOZTM-HNNXBMFYSA-N 1 1 308.353 3.125 20 5 DGBDMO CCc1[nH+]ccn1[C@@H]1CCCN(Cc2csc([N+](=O)[O-])c2)C1 ZINC000105897611 194163603 /nfs/dbraw/zinc/16/36/03/194163603.db2.gz XAFZGOQKWCDPKU-CYBMUJFWSA-N 1 1 320.418 3.252 20 5 DGBDMO CCOC1CC(C[N@@H+](Cc2ccc([N+](=O)[O-])cc2)C2CC2)C1 ZINC000285285982 218366490 /nfs/dbraw/zinc/36/64/90/218366490.db2.gz AVBFECIXNJXGGD-UHFFFAOYSA-N 1 1 304.390 3.374 20 5 DGBDMO COCCc1cc[nH+]c(NCc2ccc(C)c([N+](=O)[O-])c2)c1 ZINC000285322000 218380731 /nfs/dbraw/zinc/38/07/31/218380731.db2.gz WQBYGLCCZPYWJF-UHFFFAOYSA-N 1 1 301.346 3.099 20 5 DGBDMO Cn1c2ccccc2nc1C[N@H+](C)CCc1ccccc1[N+](=O)[O-] ZINC000285357898 218396327 /nfs/dbraw/zinc/39/63/27/218396327.db2.gz QAGXCXYTHDYVER-UHFFFAOYSA-N 1 1 324.384 3.156 20 5 DGBDMO Cn1c2ccccc2nc1C[N@@H+](C)CCc1ccccc1[N+](=O)[O-] ZINC000285357898 218396329 /nfs/dbraw/zinc/39/63/29/218396329.db2.gz QAGXCXYTHDYVER-UHFFFAOYSA-N 1 1 324.384 3.156 20 5 DGBDMO CC[N@H+](Cc1ccccc1)C[C@H](O)c1cccc([N+](=O)[O-])c1 ZINC000062351290 184231646 /nfs/dbraw/zinc/23/16/46/184231646.db2.gz IFDQKEAQOWLFIH-KRWDZBQOSA-N 1 1 300.358 3.150 20 5 DGBDMO CC(C)Oc1ccc([N+](=O)[O-])cc1C[N@@H+](C)[C@@H]1CCSC1 ZINC000119961242 195070613 /nfs/dbraw/zinc/07/06/13/195070613.db2.gz JEBSZKCFKRRKEL-CQSZACIVSA-N 1 1 310.419 3.319 20 5 DGBDMO C[C@H]1C[C@H](Nc2ccc3ncccc3c2[N+](=O)[O-])CC[N@H+]1C ZINC000336853668 253007860 /nfs/dbraw/zinc/00/78/60/253007860.db2.gz JWIAJVROKPJFSW-NWDGAFQWSA-N 1 1 300.362 3.038 20 5 DGBDMO C[C@H]1C[C@@H](Nc2ccc([N+](=O)[O-])c3ncccc23)CC[N@H+]1C ZINC000336854809 253009047 /nfs/dbraw/zinc/00/90/47/253009047.db2.gz RTLFJRGMBOPLKN-RYUDHWBXSA-N 1 1 300.362 3.038 20 5 DGBDMO CC(C)CO[C@H]1CC[N@H+](Cc2ccc(Cl)cc2[N+](=O)[O-])C1 ZINC000120176061 195112035 /nfs/dbraw/zinc/11/20/35/195112035.db2.gz YLAYGVBHJKFAEJ-AWEZNQCLSA-N 1 1 312.797 3.495 20 5 DGBDMO CC(C)CO[C@H]1CC[N@@H+](Cc2ccc(Cl)cc2[N+](=O)[O-])C1 ZINC000120176061 195112037 /nfs/dbraw/zinc/11/20/37/195112037.db2.gz YLAYGVBHJKFAEJ-AWEZNQCLSA-N 1 1 312.797 3.495 20 5 DGBDMO CCOC[C@@H]1CCC[N@@H+](C/C=C\c2ccccc2[N+](=O)[O-])C1 ZINC000255146451 285134380 /nfs/dbraw/zinc/13/43/80/285134380.db2.gz ZHJFSHLQYXTOSC-WUKHSURWSA-N 1 1 304.390 3.357 20 5 DGBDMO O=[N+]([O-])c1ccc([C@@H]2CCCN(c3[nH+]cnc4[nH]ccc43)C2)cc1 ZINC000450772259 285138745 /nfs/dbraw/zinc/13/87/45/285138745.db2.gz ZSTPFEMACMASKY-CYBMUJFWSA-N 1 1 323.356 3.250 20 5 DGBDMO O=[N+]([O-])c1ccc2c(c1)[C@@H](NC1CC[NH+](C3CC3)CC1)CCC2 ZINC000192627103 285144006 /nfs/dbraw/zinc/14/40/06/285144006.db2.gz VTLRKMHEJGQLDT-SFHVURJKSA-N 1 1 315.417 3.189 20 5 DGBDMO O=[N+]([O-])c1cccc(F)c1C[N@H+]1CCC[C@@]2(CCSC2)C1 ZINC000451958946 285155858 /nfs/dbraw/zinc/15/58/58/285155858.db2.gz IAWHPCHJBORBPC-OAHLLOKOSA-N 1 1 310.394 3.453 20 5 DGBDMO C[C@@H]1CCC[N@@H+](Cc2cn(C)nc2-c2ccc([N+](=O)[O-])cc2)C1 ZINC000157669095 197206792 /nfs/dbraw/zinc/20/67/92/197206792.db2.gz UWEBUVWMYFECHU-CYBMUJFWSA-N 1 1 314.389 3.227 20 5 DGBDMO C[C@H]([NH2+]CCc1ccc2cn[nH]c2c1)c1ccc([N+](=O)[O-])cc1 ZINC000342820833 254059166 /nfs/dbraw/zinc/05/91/66/254059166.db2.gz APRBRHQQMIUWFE-LBPRGKRZSA-N 1 1 310.357 3.364 20 5 DGBDMO CC[C@H](C)C[N@@H+](CC)[C@H](C)C(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000343682062 254177607 /nfs/dbraw/zinc/17/76/07/254177607.db2.gz HSVALVJFTACTFC-QWHCGFSZSA-N 1 1 307.394 3.290 20 5 DGBDMO CCC[N@H+]1CCC[C@H]1CNc1ccc([N+](=O)[O-])c2cnccc12 ZINC000343919957 254202856 /nfs/dbraw/zinc/20/28/56/254202856.db2.gz JZYZQYJFGHYMRI-ZDUSSCGKSA-N 1 1 314.389 3.429 20 5 DGBDMO O=[N+]([O-])c1ccc2[nH]c(C[N@H+]3CCC[C@@H](C4CC4)C3)nc2c1 ZINC000344093677 254224052 /nfs/dbraw/zinc/22/40/52/254224052.db2.gz KSXHHGQFHLXNRX-GFCCVEGCSA-N 1 1 300.362 3.093 20 5 DGBDMO CC[C@@]1(C)CC[N@@H+](CCC(=O)Nc2ccc([N+](=O)[O-])cc2)C1 ZINC000344239427 254243242 /nfs/dbraw/zinc/24/32/42/254243242.db2.gz LQMLIGNZACEJPT-INIZCTEOSA-N 1 1 305.378 3.045 20 5 DGBDMO CC[C@@H](Cc1ccccc1)[N@@H+](CC)CCn1cc([N+](=O)[O-])cn1 ZINC000120519269 195183190 /nfs/dbraw/zinc/18/31/90/195183190.db2.gz RGYQAKFVRPDKQG-INIZCTEOSA-N 1 1 316.405 3.135 20 5 DGBDMO CC(C)c1[nH+]ccn1Cc1nc(-c2ccc([N+](=O)[O-])cc2)no1 ZINC000123692226 195595079 /nfs/dbraw/zinc/59/50/79/195595079.db2.gz ZDOURKRFDAQTIG-UHFFFAOYSA-N 1 1 313.317 3.013 20 5 DGBDMO COCC[C@H]([NH2+]Cc1ccc([N+](=O)[O-])cc1OC)c1ccco1 ZINC000430215198 533312681 /nfs/dbraw/zinc/31/26/81/533312681.db2.gz DPZGMIUKYIHNIE-AWEZNQCLSA-N 1 1 320.345 3.064 20 5 DGBDMO C/C(=C/c1cccc([N+](=O)[O-])c1)C[N@@H+]1CCO[C@H](C(C)C)C1 ZINC000470207270 533382627 /nfs/dbraw/zinc/38/26/27/533382627.db2.gz CCZCUFQDSPIXQD-DZXKJOIRSA-N 1 1 304.390 3.355 20 5 DGBDMO C/C(=C/c1cccc([N+](=O)[O-])c1)C[N@H+]1CCO[C@H](C(C)C)C1 ZINC000470207270 533382634 /nfs/dbraw/zinc/38/26/34/533382634.db2.gz CCZCUFQDSPIXQD-DZXKJOIRSA-N 1 1 304.390 3.355 20 5 DGBDMO C/C(=C\c1cccc([N+](=O)[O-])c1)C[N@@H+](C)C[C@@H]1CCCCO1 ZINC000470174524 533406825 /nfs/dbraw/zinc/40/68/25/533406825.db2.gz LROMUWLEKAWCLM-SHRNQRGKSA-N 1 1 304.390 3.499 20 5 DGBDMO C[C@H]1CC[N@H+](Cc2nc3cc([N+](=O)[O-])ccc3[nH]2)CC1(C)C ZINC000444685703 533646849 /nfs/dbraw/zinc/64/68/49/533646849.db2.gz PHTPUPJONCAMED-NSHDSACASA-N 1 1 302.378 3.339 20 5 DGBDMO C[C@H]1CC[N@@H+](Cc2nc3cc([N+](=O)[O-])ccc3[nH]2)CC1(C)C ZINC000444685703 533646856 /nfs/dbraw/zinc/64/68/56/533646856.db2.gz PHTPUPJONCAMED-NSHDSACASA-N 1 1 302.378 3.339 20 5 DGBDMO C[C@@H]1C[C@@H](Nc2ccc([N+](=O)[O-])c3ncccc23)C[N@H+]1C1CC1 ZINC000413181431 533662039 /nfs/dbraw/zinc/66/20/39/533662039.db2.gz FIAQQNKWUVNVKJ-VXGBXAGGSA-N 1 1 312.373 3.180 20 5 DGBDMO COc1cc([N+](=O)[O-])ccc1[C@@H](C)NCC[N@H+]1CCCC1(C)C ZINC000595043759 400087141 /nfs/dbraw/zinc/08/71/41/400087141.db2.gz AAUBLWLRAPFCSS-CYBMUJFWSA-N 1 1 321.421 3.128 20 5 DGBDMO Cc1ccc([N+](=O)[O-])cc1[C@H](C)N[C@H]1CC[N@H+](C(C)(C)C)C1 ZINC000595056530 400092594 /nfs/dbraw/zinc/09/25/94/400092594.db2.gz LFNGNFFVUVDADB-KBPBESRZSA-N 1 1 305.422 3.427 20 5 DGBDMO Cc1ccc([N+](=O)[O-])cc1[C@H](C)[NH2+][C@H]1CCN(C(C)(C)C)C1 ZINC000595056530 400092599 /nfs/dbraw/zinc/09/25/99/400092599.db2.gz LFNGNFFVUVDADB-KBPBESRZSA-N 1 1 305.422 3.427 20 5 DGBDMO CCC[N@@H+]1CC[C@H](N[C@H](C)c2ccc(OCC)c([N+](=O)[O-])c2)C1 ZINC000595097372 400105009 /nfs/dbraw/zinc/10/50/09/400105009.db2.gz URCQAKOKIRALKK-HIFRSBDPSA-N 1 1 321.421 3.128 20 5 DGBDMO CCC[N@H+]1CC[C@H](N[C@H](C)c2ccc(OCC)c([N+](=O)[O-])c2)C1 ZINC000595097372 400105014 /nfs/dbraw/zinc/10/50/14/400105014.db2.gz URCQAKOKIRALKK-HIFRSBDPSA-N 1 1 321.421 3.128 20 5 DGBDMO CCC[N@@H+]1CC[C@@H](N[C@@H](C)c2ccc(OCC)c([N+](=O)[O-])c2)C1 ZINC000595097371 400105042 /nfs/dbraw/zinc/10/50/42/400105042.db2.gz URCQAKOKIRALKK-DZGCQCFKSA-N 1 1 321.421 3.128 20 5 DGBDMO CCC[N@H+]1CC[C@@H](N[C@@H](C)c2ccc(OCC)c([N+](=O)[O-])c2)C1 ZINC000595097371 400105046 /nfs/dbraw/zinc/10/50/46/400105046.db2.gz URCQAKOKIRALKK-DZGCQCFKSA-N 1 1 321.421 3.128 20 5 DGBDMO C[C@H]([NH2+]Cc1cnc2ccccc2n1)c1cccc([N+](=O)[O-])c1 ZINC000321557609 400171661 /nfs/dbraw/zinc/17/16/61/400171661.db2.gz FSEKIVCPOFDJNY-LBPRGKRZSA-N 1 1 308.341 3.389 20 5 DGBDMO C[C@H](c1ccccc1[N+](=O)[O-])N1CCC[C@]2(CC[N@@H+](C)C2)C1 ZINC000595506970 400172664 /nfs/dbraw/zinc/17/26/64/400172664.db2.gz JIMDOWBTNZOGTE-RHSMWYFYSA-N 1 1 303.406 3.074 20 5 DGBDMO C[C@H](C(=O)Nc1cccc([N+](=O)[O-])c1)[N@H+](C)Cc1cccs1 ZINC000016586873 400175353 /nfs/dbraw/zinc/17/53/53/400175353.db2.gz DPCZENLNZKCBCN-LLVKDONJSA-N 1 1 319.386 3.115 20 5 DGBDMO C[C@H](C(=O)Nc1cccc([N+](=O)[O-])c1)[N@@H+](C)Cc1cccs1 ZINC000016586873 400175363 /nfs/dbraw/zinc/17/53/63/400175363.db2.gz DPCZENLNZKCBCN-LLVKDONJSA-N 1 1 319.386 3.115 20 5 DGBDMO CC[N@H+]1CCC[C@@H]1CNc1ccc([N+](=O)[O-])c(OC(F)F)c1 ZINC000092582298 400183248 /nfs/dbraw/zinc/18/32/48/400183248.db2.gz JHSREVGTONWVAP-LLVKDONJSA-N 1 1 315.320 3.092 20 5 DGBDMO CC[N@H+]1CCC[C@H]1CNc1ccc([N+](=O)[O-])c(OC(F)F)c1 ZINC000092582299 400183363 /nfs/dbraw/zinc/18/33/63/400183363.db2.gz JHSREVGTONWVAP-NSHDSACASA-N 1 1 315.320 3.092 20 5 DGBDMO Cc1noc(C[N@H+]2CCC[C@@H]2Cc2cccc(F)c2)c1[N+](=O)[O-] ZINC000595297719 400121920 /nfs/dbraw/zinc/12/19/20/400121920.db2.gz NAWSOAXWMQLREM-CQSZACIVSA-N 1 1 319.336 3.237 20 5 DGBDMO Cc1noc(C[N@@H+]2C[C@@H](c3ccccc3)C[C@H]2C)c1[N+](=O)[O-] ZINC000595322151 400126661 /nfs/dbraw/zinc/12/66/61/400126661.db2.gz MGRLFWSXLHFJKT-RISCZKNCSA-N 1 1 301.346 3.269 20 5 DGBDMO CC[C@@H]1c2ccccc2CC[N@H+]1Cc1onc(C)c1[N+](=O)[O-] ZINC000595325096 400127007 /nfs/dbraw/zinc/12/70/07/400127007.db2.gz VJVPMSNMVLPWSR-CQSZACIVSA-N 1 1 301.346 3.401 20 5 DGBDMO CC[C@@H]1c2ccccc2CC[N@@H+]1Cc1onc(C)c1[N+](=O)[O-] ZINC000595325096 400127010 /nfs/dbraw/zinc/12/70/10/400127010.db2.gz VJVPMSNMVLPWSR-CQSZACIVSA-N 1 1 301.346 3.401 20 5 DGBDMO Cc1noc(C[N@@H+]2C[C@H](c3ccc(F)cc3)C[C@H]2C)c1[N+](=O)[O-] ZINC000595323501 400127476 /nfs/dbraw/zinc/12/74/76/400127476.db2.gz YXIVVWAECQBRKT-ZWNOBZJWSA-N 1 1 319.336 3.408 20 5 DGBDMO C[C@H](O)C[N@H+](Cc1ccccc1)Cc1ccc(F)cc1[N+](=O)[O-] ZINC000595333888 400131012 /nfs/dbraw/zinc/13/10/12/400131012.db2.gz URYFDLCWSPOLAW-ZDUSSCGKSA-N 1 1 318.348 3.117 20 5 DGBDMO C[C@H](O)C[N@@H+](Cc1ccccc1)Cc1ccc(F)cc1[N+](=O)[O-] ZINC000595333888 400131018 /nfs/dbraw/zinc/13/10/18/400131018.db2.gz URYFDLCWSPOLAW-ZDUSSCGKSA-N 1 1 318.348 3.117 20 5 DGBDMO CC[N@H+]1CC[C@H](N(C)Cc2ccc(F)cc2[N+](=O)[O-])C[C@@H]1C ZINC000595346475 400132362 /nfs/dbraw/zinc/13/23/62/400132362.db2.gz JJYHIXORTYOBPN-WFASDCNBSA-N 1 1 309.385 3.039 20 5 DGBDMO C[C@H]1CC[N@H+](Cc2ccc(F)cc2[N+](=O)[O-])C[C@@H]1n1ccnc1 ZINC000595396188 400139870 /nfs/dbraw/zinc/13/98/70/400139870.db2.gz YYPOWEAJPQFWKP-LRDDRELGSA-N 1 1 318.352 3.014 20 5 DGBDMO C[C@H]1CC[N@@H+](Cc2ccc(F)cc2[N+](=O)[O-])C[C@@H]1n1ccnc1 ZINC000595396188 400139873 /nfs/dbraw/zinc/13/98/73/400139873.db2.gz YYPOWEAJPQFWKP-LRDDRELGSA-N 1 1 318.352 3.014 20 5 DGBDMO Cc1ccc(C(C)(C)[NH2+]Cc2ccc(F)cc2[N+](=O)[O-])cn1 ZINC000595439450 400150847 /nfs/dbraw/zinc/15/08/47/400150847.db2.gz YZEGAFQWEYSKJO-UHFFFAOYSA-N 1 1 303.337 3.462 20 5 DGBDMO CC[N@H+](Cc1onc(C)c1[N+](=O)[O-])[C@H](C)Cc1ccsc1 ZINC000595447106 400153530 /nfs/dbraw/zinc/15/35/30/400153530.db2.gz BOTCNOVPCNXCBI-SNVBAGLBSA-N 1 1 309.391 3.406 20 5 DGBDMO CC[N@@H+](Cc1onc(C)c1[N+](=O)[O-])[C@H](C)Cc1ccsc1 ZINC000595447106 400153533 /nfs/dbraw/zinc/15/35/33/400153533.db2.gz BOTCNOVPCNXCBI-SNVBAGLBSA-N 1 1 309.391 3.406 20 5 DGBDMO C[C@@](CO)([NH2+]Cc1ccc([N+](=O)[O-])cc1Cl)c1ccccc1 ZINC000318140772 400156320 /nfs/dbraw/zinc/15/63/20/400156320.db2.gz ZMNPENOMHZOHIF-INIZCTEOSA-N 1 1 320.776 3.246 20 5 DGBDMO C[C@@H](O)C[C@H]1CCCCC[N@H+]1Cc1ccc(F)cc1[N+](=O)[O-] ZINC000595494371 400168072 /nfs/dbraw/zinc/16/80/72/400168072.db2.gz XVRLMQBWSRPPDK-IUODEOHRSA-N 1 1 310.369 3.249 20 5 DGBDMO O=[N+]([O-])c1ncccc1NC[C@@H]1CCC[N@H+]1CC1CCCCC1 ZINC000609448995 400168261 /nfs/dbraw/zinc/16/82/61/400168261.db2.gz DPOMZDXKHDMSBP-HNNXBMFYSA-N 1 1 318.421 3.446 20 5 DGBDMO C[C@@H]([NH2+]Cc1cnc2ccccc2n1)c1cccc([N+](=O)[O-])c1 ZINC000321557608 400171148 /nfs/dbraw/zinc/17/11/48/400171148.db2.gz FSEKIVCPOFDJNY-GFCCVEGCSA-N 1 1 308.341 3.389 20 5 DGBDMO C[C@@]12COC[C@]1(C)C[N@@H+](Cc1ccc(Cl)cc1[N+](=O)[O-])C2 ZINC000595690079 400228434 /nfs/dbraw/zinc/22/84/34/400228434.db2.gz SXUIDSYEJDYYGD-GASCZTMLSA-N 1 1 310.781 3.107 20 5 DGBDMO C[C@@]12COC[C@]1(C)C[N@H+](Cc1ccc(Cl)cc1[N+](=O)[O-])C2 ZINC000595690079 400228440 /nfs/dbraw/zinc/22/84/40/400228440.db2.gz SXUIDSYEJDYYGD-GASCZTMLSA-N 1 1 310.781 3.107 20 5 DGBDMO C[N@@H+](Cc1ccccc1)[C@@H]1CCN(c2ccccc2[N+](=O)[O-])C1 ZINC000610281711 400234389 /nfs/dbraw/zinc/23/43/89/400234389.db2.gz AIJBQESSWFIHCE-MRXNPFEDSA-N 1 1 311.385 3.306 20 5 DGBDMO O=[N+]([O-])c1ccc2nccc(N3CCC(c4[nH]cc[nH+]4)CC3)c2c1 ZINC000601110028 400235350 /nfs/dbraw/zinc/23/53/50/400235350.db2.gz XCOLIJGFROICDS-UHFFFAOYSA-N 1 1 323.356 3.250 20 5 DGBDMO C[C@H]1CCC[N@@H+](Cc2ccc([N+](=O)[O-])cc2Cl)[C@H]1CCO ZINC000595706960 400237373 /nfs/dbraw/zinc/23/73/73/400237373.db2.gz ZPSBYBOXPISHGD-NHYWBVRUSA-N 1 1 312.797 3.231 20 5 DGBDMO CN(C[C@H]1CCCOC1)c1cc[nH+]c2ccc([N+](=O)[O-])cc21 ZINC000601116133 400238088 /nfs/dbraw/zinc/23/80/88/400238088.db2.gz ORCBWAWSDOSGSJ-GFCCVEGCSA-N 1 1 301.346 3.006 20 5 DGBDMO CO[C@@H]1CCN(c2cc[nH+]c3ccc([N+](=O)[O-])cc32)CC1(C)C ZINC000601171321 400256397 /nfs/dbraw/zinc/25/63/97/400256397.db2.gz LXQRCAMNQVBFLB-MRXNPFEDSA-N 1 1 315.373 3.394 20 5 DGBDMO Cc1noc(C[NH2+][C@H]2C[C@H](OC(C)(C)C)C23CCC3)c1[N+](=O)[O-] ZINC000595777834 400256616 /nfs/dbraw/zinc/25/66/16/400256616.db2.gz KNLVOLKFIQEZGG-STQMWFEESA-N 1 1 323.393 3.107 20 5 DGBDMO O=[N+]([O-])c1ccc2[nH+]ccc(N3CC[C@@H]([C@@H]4CCOC4)C3)c2c1 ZINC000601132536 400244382 /nfs/dbraw/zinc/24/43/82/400244382.db2.gz JBYVYMZKHHHAKU-CHWSQXEVSA-N 1 1 313.357 3.006 20 5 DGBDMO O=[N+]([O-])c1ccccc1/C=C\C[NH2+]Cc1noc2c1CCCC2 ZINC000588931582 400248341 /nfs/dbraw/zinc/24/83/41/400248341.db2.gz KJKXGJJFBFRNQT-ALCCZGGFSA-N 1 1 313.357 3.265 20 5 DGBDMO O=[N+]([O-])c1cc(C[N@H+]2CCC[C@@H](CCF)C2)c2c(c1)COCO2 ZINC000595754794 400251080 /nfs/dbraw/zinc/25/10/80/400251080.db2.gz CBZGIDIVEXOQHP-LBPRGKRZSA-N 1 1 324.352 3.033 20 5 DGBDMO COc1cc(C[N@@H+]2CCC[C@@H](CCF)C2)c([N+](=O)[O-])cc1F ZINC000595755259 400251480 /nfs/dbraw/zinc/25/14/80/400251480.db2.gz JVNRWLDHHSUNIO-NSHDSACASA-N 1 1 314.332 3.314 20 5 DGBDMO COc1cc(C[N@H+]2CCC[C@@H](CCF)C2)c([N+](=O)[O-])cc1F ZINC000595755259 400251483 /nfs/dbraw/zinc/25/14/83/400251483.db2.gz JVNRWLDHHSUNIO-NSHDSACASA-N 1 1 314.332 3.314 20 5 DGBDMO O=[N+]([O-])c1ccc2[nH+]ccc(N3CCC[C@H]3[C@@H]3CCCO3)c2c1 ZINC000601161232 400253774 /nfs/dbraw/zinc/25/37/74/400253774.db2.gz FFOILMRPGHZUBT-IRXDYDNUSA-N 1 1 313.357 3.291 20 5 DGBDMO CC[C@H](C)[N@@H+](CC)CCC(=O)Nc1cc([N+](=O)[O-])ccc1C ZINC000595602519 400200449 /nfs/dbraw/zinc/20/04/49/400200449.db2.gz VYUOXUCZWCMARD-ZDUSSCGKSA-N 1 1 307.394 3.352 20 5 DGBDMO CC(=O)c1ccc(NC[C@H](c2ccco2)[NH+](C)C)c([N+](=O)[O-])c1 ZINC000067949195 400218879 /nfs/dbraw/zinc/21/88/79/400218879.db2.gz FFWBQAASEWBYFU-OAHLLOKOSA-N 1 1 317.345 3.105 20 5 DGBDMO C[N@@H+](CCNc1ccsc1[N+](=O)[O-])Cc1ccc(F)cc1 ZINC000610510566 400268191 /nfs/dbraw/zinc/26/81/91/400268191.db2.gz YVLORPDCLVWSJG-UHFFFAOYSA-N 1 1 309.366 3.339 20 5 DGBDMO C[N@H+](CCc1ccccc1[N+](=O)[O-])Cc1nc2c(s1)CCC2 ZINC000589183664 400270277 /nfs/dbraw/zinc/27/02/77/400270277.db2.gz DMPGNRHHXMEXDT-UHFFFAOYSA-N 1 1 317.414 3.215 20 5 DGBDMO C[N@@H+](CCc1ccccc1[N+](=O)[O-])Cc1nc2c(s1)CCC2 ZINC000589183664 400270279 /nfs/dbraw/zinc/27/02/79/400270279.db2.gz DMPGNRHHXMEXDT-UHFFFAOYSA-N 1 1 317.414 3.215 20 5 DGBDMO CC[C@H](C)[C@@H](C)[N@@H+](CC(=O)Nc1ccccc1[N+](=O)[O-])C1CC1 ZINC000106439905 400326175 /nfs/dbraw/zinc/32/61/75/400326175.db2.gz GSGBAHGKMXKLIP-QWHCGFSZSA-N 1 1 319.405 3.432 20 5 DGBDMO O=[N+]([O-])c1ccc(CC[N@H+]2CCOC(C3CC3)(C3CC3)C2)cc1 ZINC000595822294 400271333 /nfs/dbraw/zinc/27/13/33/400271333.db2.gz PVKFCMSQDNJEBD-UHFFFAOYSA-N 1 1 316.401 3.028 20 5 DGBDMO CCC[C@@H](C)[N@@H+](C)CCC(=O)Nc1cc([N+](=O)[O-])ccc1OC ZINC000030270602 400322972 /nfs/dbraw/zinc/32/29/72/400322972.db2.gz GMIGAPQKDMMAJJ-GFCCVEGCSA-N 1 1 323.393 3.052 20 5 DGBDMO CCCC[C@@H](C)[N@@H+](C)CCC(=O)Nc1ccccc1[N+](=O)[O-] ZINC000589309148 400286896 /nfs/dbraw/zinc/28/68/96/400286896.db2.gz JAMDVZXTLRXOKT-CYBMUJFWSA-N 1 1 307.394 3.434 20 5 DGBDMO COc1cc([N+](=O)[O-])ccc1[C@H](C)[NH2+][C@@H]1C[C@H]1C(F)(F)F ZINC000601306118 400287218 /nfs/dbraw/zinc/28/72/18/400287218.db2.gz AQUGGNSVTDVTLZ-WHGOUJPWSA-N 1 1 304.268 3.205 20 5 DGBDMO C[N@H+](Cc1nc(-c2cccc([N+](=O)[O-])c2)no1)C[C@@H]1CC1(C)C ZINC000595910936 400292594 /nfs/dbraw/zinc/29/25/94/400292594.db2.gz DTHKVLIEZZFAGM-LBPRGKRZSA-N 1 1 316.361 3.123 20 5 DGBDMO O=[N+]([O-])c1cccc(C[NH+]2CC(c3nc4ccccc4[nH]3)C2)c1 ZINC000610701424 400293352 /nfs/dbraw/zinc/29/33/52/400293352.db2.gz BAJMJTRZHNZEAV-UHFFFAOYSA-N 1 1 308.341 3.071 20 5 DGBDMO Cc1ccc(C[N@@H+]2CC(C)(C)[C@@H]2[C@H]2CCCO2)cc1[N+](=O)[O-] ZINC000589520374 400304345 /nfs/dbraw/zinc/30/43/45/400304345.db2.gz CWSZTMGEUAWMBC-CVEARBPZSA-N 1 1 304.390 3.293 20 5 DGBDMO Cc1ccc(C[N@H+]2CC(C)(C)[C@@H]2[C@H]2CCCO2)cc1[N+](=O)[O-] ZINC000589520374 400304349 /nfs/dbraw/zinc/30/43/49/400304349.db2.gz CWSZTMGEUAWMBC-CVEARBPZSA-N 1 1 304.390 3.293 20 5 DGBDMO Cc1ccc([N+](=O)[O-])cc1NC(=O)C[N@@H+](C)CC1CCCCC1 ZINC000029455070 400308402 /nfs/dbraw/zinc/30/84/02/400308402.db2.gz OEITUWVBCOIPDA-UHFFFAOYSA-N 1 1 319.405 3.354 20 5 DGBDMO Cc1cccc(N2CC[NH+](Cc3ccccc3[N+](=O)[O-])CC2)c1 ZINC000029632651 400313478 /nfs/dbraw/zinc/31/34/78/400313478.db2.gz WKDFJTFDRSGWPN-UHFFFAOYSA-N 1 1 311.385 3.225 20 5 DGBDMO CC[C@H]1C[N@@H+](C)CCCN1c1nc2ccccc2cc1[N+](=O)[O-] ZINC000601188005 400258255 /nfs/dbraw/zinc/25/82/55/400258255.db2.gz APFHVMUFUHSGIB-AWEZNQCLSA-N 1 1 314.389 3.064 20 5 DGBDMO O=[N+]([O-])c1ccc(C[NH+]2CCC(OCC3CC3)CC2)c(F)c1 ZINC000610476762 400262284 /nfs/dbraw/zinc/26/22/84/400262284.db2.gz IXVITXLJWJJRSK-UHFFFAOYSA-N 1 1 308.353 3.125 20 5 DGBDMO CC(C)[C@@H]1[N@H+](Cc2cc3c(cc2[N+](=O)[O-])OCCO3)CC1(C)C ZINC000590371142 400382174 /nfs/dbraw/zinc/38/21/74/400382174.db2.gz JCWYGNRMXBMKPG-INIZCTEOSA-N 1 1 320.389 3.232 20 5 DGBDMO CC(C)[C@@H]1[N@@H+](Cc2cc3c(cc2[N+](=O)[O-])OCCO3)CC1(C)C ZINC000590371142 400382175 /nfs/dbraw/zinc/38/21/75/400382175.db2.gz JCWYGNRMXBMKPG-INIZCTEOSA-N 1 1 320.389 3.232 20 5 DGBDMO O=[N+]([O-])c1ccccc1/C=C\C[N@H+]1CCOC[C@H](C2CCC2)C1 ZINC000590053336 400351050 /nfs/dbraw/zinc/35/10/50/400351050.db2.gz RCKBHDAWYZUCGR-RLXIPRIJSA-N 1 1 316.401 3.357 20 5 DGBDMO C[N@@H+](Cc1ccccc1)[C@@H]1CCN(c2sccc2[N+](=O)[O-])C1 ZINC000611413009 400395961 /nfs/dbraw/zinc/39/59/61/400395961.db2.gz UHRZBVVKPBRWAJ-CQSZACIVSA-N 1 1 317.414 3.367 20 5 DGBDMO O=[N+]([O-])c1ccsc1N1CC[C@@H]2[C@H](CCC[N@H+]2C2CC2)C1 ZINC000611413764 400396243 /nfs/dbraw/zinc/39/62/43/400396243.db2.gz SEIHQCLVEAMSFI-DGCLKSJQSA-N 1 1 307.419 3.109 20 5 DGBDMO C[C@@H](c1nnc(-c2ccc([N+](=O)[O-])cc2)o1)[N@H+]1C[C@H](C)[C@H](C)C1 ZINC000072872255 400410442 /nfs/dbraw/zinc/41/04/42/400410442.db2.gz SGNSAGPXXMJSNL-TUAOUCFPSA-N 1 1 316.361 3.294 20 5 DGBDMO CN1Cc2ccccc2[C@@H]([NH2+]Cc2ccc([N+](=O)[O-])cc2F)C1 ZINC000611498483 400411393 /nfs/dbraw/zinc/41/13/93/400411393.db2.gz IUJPENYNSWMKFA-KRWDZBQOSA-N 1 1 315.348 3.010 20 5 DGBDMO Cn1cnc([N+](=O)[O-])c1C[N@@H+]1CCC[C@@H]1/C=C\c1ccccc1 ZINC000611554615 400421006 /nfs/dbraw/zinc/42/10/06/400421006.db2.gz CJHGGULEHTYJQL-FJVVXJACSA-N 1 1 312.373 3.006 20 5 DGBDMO Cn1cnc([N+](=O)[O-])c1C[N@H+]1CCC[C@@H]1/C=C\c1ccccc1 ZINC000611554615 400421014 /nfs/dbraw/zinc/42/10/14/400421014.db2.gz CJHGGULEHTYJQL-FJVVXJACSA-N 1 1 312.373 3.006 20 5 DGBDMO Cc1ccnc(N[C@H]2CC[N@H+](C3CCCCC3)C2)c1[N+](=O)[O-] ZINC000596480414 400425543 /nfs/dbraw/zinc/42/55/43/400425543.db2.gz YVYXHOXJNMGMDD-ZDUSSCGKSA-N 1 1 304.394 3.117 20 5 DGBDMO O=[N+]([O-])c1cnc(NC[C@@H]2CCC[N@@H+](CC3CC3)C2)c(Cl)c1 ZINC000596570052 400446577 /nfs/dbraw/zinc/44/65/77/400446577.db2.gz IGBPHGIILSMNRG-LBPRGKRZSA-N 1 1 324.812 3.177 20 5 DGBDMO COc1cc(NC[C@@H]2CCC[N@@H+](CC3CC3)C2)ccc1[N+](=O)[O-] ZINC000596571267 400447686 /nfs/dbraw/zinc/44/76/86/400447686.db2.gz RSVJPSGGCZXLML-AWEZNQCLSA-N 1 1 319.405 3.137 20 5 DGBDMO CCO[C@H]1C[C@H]([N@@H+](C)Cc2ccccc2[N+](=O)[O-])C12CCC2 ZINC000121074554 400451554 /nfs/dbraw/zinc/45/15/54/400451554.db2.gz LKTUENCDCUCMJJ-HOTGVXAUSA-N 1 1 304.390 3.374 20 5 DGBDMO CC(C)(C)C[N@@H+](CCO)Cc1ccc([N+](=O)[O-])cc1Cl ZINC000611782548 400452505 /nfs/dbraw/zinc/45/25/05/400452505.db2.gz ODFFLGZPCSJMAF-UHFFFAOYSA-N 1 1 300.786 3.089 20 5 DGBDMO CC(C)[C@H]([NH3+])CCN[C@@H]1CC(C)(C)c2ccc([N+](=O)[O-])cc21 ZINC000596653816 400473612 /nfs/dbraw/zinc/47/36/12/400473612.db2.gz LSFHRKKCTGYBKT-HZPDHXFCSA-N 1 1 305.422 3.280 20 5 DGBDMO Cc1ncc([N+](=O)[O-])n1CC[N@H+]1CCCCC[C@@H]1c1ccco1 ZINC000602783506 400571986 /nfs/dbraw/zinc/57/19/86/400571986.db2.gz ZXBCNYXPQHZIDN-CQSZACIVSA-N 1 1 318.377 3.310 20 5 DGBDMO CO[C@@H](C)C[N@H+](C)Cc1ccc(C(F)(F)F)cc1[N+](=O)[O-] ZINC000602652710 400524929 /nfs/dbraw/zinc/52/49/29/400524929.db2.gz FDXOIKLWRLWLDZ-VIFPVBQESA-N 1 1 306.284 3.080 20 5 DGBDMO CO[C@@H](C)C[N@@H+](C)Cc1ccc(C(F)(F)F)cc1[N+](=O)[O-] ZINC000602652710 400524931 /nfs/dbraw/zinc/52/49/31/400524931.db2.gz FDXOIKLWRLWLDZ-VIFPVBQESA-N 1 1 306.284 3.080 20 5 DGBDMO CC1(C)C[N@H+](Cc2nc3cc([N+](=O)[O-])ccc3o2)[C@H]1C1CC1 ZINC000602668316 400531251 /nfs/dbraw/zinc/53/12/51/400531251.db2.gz VERFQUHRWFSAAI-HNNXBMFYSA-N 1 1 301.346 3.356 20 5 DGBDMO CC1(C)C[N@@H+](Cc2nc3cc([N+](=O)[O-])ccc3o2)[C@H]1C1CC1 ZINC000602668316 400531253 /nfs/dbraw/zinc/53/12/53/400531253.db2.gz VERFQUHRWFSAAI-HNNXBMFYSA-N 1 1 301.346 3.356 20 5 DGBDMO COc1cccc(C[N@@H+](C)CCOc2cccc([N+](=O)[O-])c2)c1 ZINC000046055413 400547317 /nfs/dbraw/zinc/54/73/17/400547317.db2.gz WEGUEDCCAFVAHO-UHFFFAOYSA-N 1 1 316.357 3.114 20 5 DGBDMO C[C@H]1CC2(CN1Cc1ccc(Cl)cc1[N+](=O)[O-])CC[NH2+]CC2 ZINC000591658930 400548889 /nfs/dbraw/zinc/54/88/89/400548889.db2.gz NERUIIXHZAUGCS-LBPRGKRZSA-N 1 1 323.824 3.212 20 5 DGBDMO O=[N+]([O-])c1ccc2[nH]c(C[N@H+]3CCC[C@@H]3C3CCC3)nc2c1 ZINC000618279265 400558378 /nfs/dbraw/zinc/55/83/78/400558378.db2.gz HNJZZOQWIHHKCF-OAHLLOKOSA-N 1 1 300.362 3.236 20 5 DGBDMO Cc1ncc([N+](=O)[O-])n1CC[N@@H+]1CC[C@H](C)[C@H]2CCCC[C@H]21 ZINC000602764844 400567105 /nfs/dbraw/zinc/56/71/05/400567105.db2.gz ZSMHBRMAFVBXOJ-NWANDNLSSA-N 1 1 306.410 3.000 20 5 DGBDMO Cc1ncc([N+](=O)[O-])n1CC[N@H+](C)[C@@H](C)c1ccccc1Cl ZINC000602765351 400568001 /nfs/dbraw/zinc/56/80/01/400568001.db2.gz JITJDFOSRXDGPW-NSHDSACASA-N 1 1 322.796 3.446 20 5 DGBDMO C[N@@H+](Cc1nc(-c2ccc([N+](=O)[O-])cc2)no1)C1CCCCC1 ZINC000047406569 400613927 /nfs/dbraw/zinc/61/39/27/400613927.db2.gz AOZRWGGSYSDLMC-UHFFFAOYSA-N 1 1 316.361 3.409 20 5 DGBDMO COc1cc([N+](=O)[O-])ccc1C[NH2+][C@H](C)c1cnc(C)s1 ZINC000602956846 400614377 /nfs/dbraw/zinc/61/43/77/400614377.db2.gz OOIGLWNRNLGEHJ-SECBINFHSA-N 1 1 307.375 3.219 20 5 DGBDMO COc1cc([N+](=O)[O-])ccc1C[NH2+][C@@H](C)c1cnc(C)s1 ZINC000602956847 400615087 /nfs/dbraw/zinc/61/50/87/400615087.db2.gz OOIGLWNRNLGEHJ-VIFPVBQESA-N 1 1 307.375 3.219 20 5 DGBDMO O=[N+]([O-])c1cc(Cl)ccc1C[N@@H+]1CC[C@H](O)[C@@H]2CCCC[C@@H]21 ZINC000602997470 400624614 /nfs/dbraw/zinc/62/46/14/400624614.db2.gz KUQSHNKUPAJWMA-YCPHGPKFSA-N 1 1 324.808 3.374 20 5 DGBDMO CC[NH+](CC)CC1CCN(Cc2cccc([N+](=O)[O-])c2)CC1 ZINC000047973715 400637254 /nfs/dbraw/zinc/63/72/54/400637254.db2.gz OINWLYYSJHDMHK-UHFFFAOYSA-N 1 1 305.422 3.149 20 5 DGBDMO Cc1ncc([N+](=O)[O-])n1CC[N@@H+]1CC(C)(C)[C@@H]1c1cccs1 ZINC000602832584 400586551 /nfs/dbraw/zinc/58/65/51/400586551.db2.gz KDHYSJOWCRULDK-AWEZNQCLSA-N 1 1 320.418 3.244 20 5 DGBDMO Cc1ncc([N+](=O)[O-])n1CC[N@H+]1CC(C)(C)[C@@H]1c1cccs1 ZINC000602832584 400586557 /nfs/dbraw/zinc/58/65/57/400586557.db2.gz KDHYSJOWCRULDK-AWEZNQCLSA-N 1 1 320.418 3.244 20 5 DGBDMO CC(C)c1ccc(C[N@H+]2C[C@H]3COC[C@]3(C)C2)cc1[N+](=O)[O-] ZINC000597211686 400589570 /nfs/dbraw/zinc/58/95/70/400589570.db2.gz NOAGNAMSLIWNJJ-YOEHRIQHSA-N 1 1 304.390 3.187 20 5 DGBDMO C[N@@H+](Cc1ccc(-c2ccccc2[N+](=O)[O-])s1)C1(CO)CC1 ZINC000597252838 400600062 /nfs/dbraw/zinc/60/00/62/400600062.db2.gz ACSHIVQKBLHFDO-UHFFFAOYSA-N 1 1 318.398 3.280 20 5 DGBDMO C[C@H]1CC2(C[N@H+]1C/C=C/c1ccccc1[N+](=O)[O-])CCOCC2 ZINC000592527225 400665343 /nfs/dbraw/zinc/66/53/43/400665343.db2.gz MTLOLJCUCSICCC-DRDHIDPGSA-N 1 1 316.401 3.499 20 5 DGBDMO CC(C)Cn1nccc1C[N@@H+](C)CCc1ccccc1[N+](=O)[O-] ZINC000592510902 400660278 /nfs/dbraw/zinc/66/02/78/400660278.db2.gz IPOGPFDLAYRIDK-UHFFFAOYSA-N 1 1 316.405 3.122 20 5 DGBDMO Cc1ccc([N+](=O)[O-])cc1[C@H](C)N[C@@H]1CC[N@H+](CC2CC2)C1 ZINC000157710646 400719951 /nfs/dbraw/zinc/71/99/51/400719951.db2.gz OBHDCGWKDVWICS-DZGCQCFKSA-N 1 1 303.406 3.038 20 5 DGBDMO Cc1ccc([N+](=O)[O-])cc1[C@H](C)N[C@@H]1CC[N@@H+](CC2CC2)C1 ZINC000157710646 400719952 /nfs/dbraw/zinc/71/99/52/400719952.db2.gz OBHDCGWKDVWICS-DZGCQCFKSA-N 1 1 303.406 3.038 20 5 DGBDMO C[NH+](C)[C@@H](CNc1cccnc1[N+](=O)[O-])c1ccccc1Cl ZINC000603838567 400720643 /nfs/dbraw/zinc/72/06/43/400720643.db2.gz SDXUESNZYHTCOE-AWEZNQCLSA-N 1 1 320.780 3.358 20 5 DGBDMO Cc1nccc([C@H]2CCC[N@@H+](Cc3ccc([N+](=O)[O-])cc3)C2)n1 ZINC000603834277 400720802 /nfs/dbraw/zinc/72/08/02/400720802.db2.gz OHUUDJVGESFFPT-HNNXBMFYSA-N 1 1 312.373 3.073 20 5 DGBDMO O=[N+]([O-])c1cccc(C[N@@H+]2CCO[C@@]3(CCc4ccccc43)C2)c1 ZINC000158933856 400727818 /nfs/dbraw/zinc/72/78/18/400727818.db2.gz SDZMDBQNTDQZHY-IBGZPJMESA-N 1 1 324.380 3.269 20 5 DGBDMO O=[N+]([O-])c1cccc(C[N@H+]2CCO[C@@]3(CCc4ccccc43)C2)c1 ZINC000158933856 400727822 /nfs/dbraw/zinc/72/78/22/400727822.db2.gz SDZMDBQNTDQZHY-IBGZPJMESA-N 1 1 324.380 3.269 20 5 DGBDMO Cc1ccc(C[N@H+](C)Cc2nc3cc([N+](=O)[O-])ccc3[nH]2)cc1 ZINC000052689444 400744121 /nfs/dbraw/zinc/74/41/21/400744121.db2.gz HSXBVQZXYUVJEB-UHFFFAOYSA-N 1 1 310.357 3.412 20 5 DGBDMO Cc1ccc(C[N@@H+](C)Cc2nc3cc([N+](=O)[O-])ccc3[nH]2)cc1 ZINC000052689444 400744123 /nfs/dbraw/zinc/74/41/23/400744123.db2.gz HSXBVQZXYUVJEB-UHFFFAOYSA-N 1 1 310.357 3.412 20 5 DGBDMO CCC[C@@H](C)[N@@H+](C)CCC(=O)Nc1cc([N+](=O)[O-])ccc1C ZINC000164823326 400750967 /nfs/dbraw/zinc/75/09/67/400750967.db2.gz IGASXRRRFOKQSR-CYBMUJFWSA-N 1 1 307.394 3.352 20 5 DGBDMO CCC[C@H](C)[N@@H+](C)CCC(=O)Nc1cc([N+](=O)[O-])ccc1C ZINC000164823417 400750983 /nfs/dbraw/zinc/75/09/83/400750983.db2.gz IGASXRRRFOKQSR-ZDUSSCGKSA-N 1 1 307.394 3.352 20 5 DGBDMO C[N@@H+](CCOc1ccccc1[N+](=O)[O-])CCc1ccccc1 ZINC000052000565 400713355 /nfs/dbraw/zinc/71/33/55/400713355.db2.gz HSQGWMIDMJBBJR-UHFFFAOYSA-N 1 1 300.358 3.148 20 5 DGBDMO Cc1cc([C@@H]2CCC[N@H+]2CCOc2cccc([N+](=O)[O-])c2)on1 ZINC000052010381 400713584 /nfs/dbraw/zinc/71/35/84/400713584.db2.gz FGNKQIHXBJJHRN-HNNXBMFYSA-N 1 1 317.345 3.107 20 5 DGBDMO COc1cc(OC)c(C[NH2+]Cc2ccc([N+](=O)[O-])cc2)cc1F ZINC000593611673 400881559 /nfs/dbraw/zinc/88/15/59/400881559.db2.gz FBVSCIPDUYRTTL-UHFFFAOYSA-N 1 1 320.320 3.041 20 5 DGBDMO Cc1nccnc1C[N@@H+](Cc1ccc([N+](=O)[O-])cc1)C(C)C ZINC000598679639 400856314 /nfs/dbraw/zinc/85/63/14/400856314.db2.gz XJEOHEMEDMETFA-UHFFFAOYSA-N 1 1 300.362 3.104 20 5 DGBDMO Cc1nccnc1C[N@H+](Cc1ccc([N+](=O)[O-])cc1)C(C)C ZINC000598679639 400856318 /nfs/dbraw/zinc/85/63/18/400856318.db2.gz XJEOHEMEDMETFA-UHFFFAOYSA-N 1 1 300.362 3.104 20 5 DGBDMO O=[N+]([O-])c1ccc(CC[N@H+]2CCC[C@@H](OC3CCC3)C2)cc1 ZINC000594027583 400951819 /nfs/dbraw/zinc/95/18/19/400951819.db2.gz WPQVFDJNCGHCPO-QGZVFWFLSA-N 1 1 304.390 3.171 20 5 DGBDMO O=[N+]([O-])c1cccc(OCC[N@H+]2CCC[C@H](OC3CCC3)C2)c1 ZINC000594026182 400951901 /nfs/dbraw/zinc/95/19/01/400951901.db2.gz FHHFFQZLUAYFBP-KRWDZBQOSA-N 1 1 320.389 3.007 20 5 DGBDMO Cc1ncc(C[N@@H+](C)CCCOc2ccc([N+](=O)[O-])cc2)s1 ZINC000055904358 400900473 /nfs/dbraw/zinc/90/04/73/400900473.db2.gz CTMMAXPMQPYVRO-UHFFFAOYSA-N 1 1 321.402 3.261 20 5 DGBDMO O=[N+]([O-])c1ccccc1OCC[N@H+]1CCC[C@H](OC2CCC2)C1 ZINC000594026513 400952473 /nfs/dbraw/zinc/95/24/73/400952473.db2.gz LCPUZJWETDSULQ-HNNXBMFYSA-N 1 1 320.389 3.007 20 5 DGBDMO CC(C)[N@H+]1CC[C@H](Nc2ccc3cnccc3c2[N+](=O)[O-])C1 ZINC000599031609 400933205 /nfs/dbraw/zinc/93/32/05/400933205.db2.gz GIYKOUNAYLXSIM-ZDUSSCGKSA-N 1 1 300.362 3.038 20 5 DGBDMO Cc1cc(N2CC[C@H]3CC[C@@H](C2)[N@H+]3C)c(Cl)cc1[N+](=O)[O-] ZINC000080653650 400974685 /nfs/dbraw/zinc/97/46/85/400974685.db2.gz FSYNHFDNUOCZNI-NEPJUHHUSA-N 1 1 309.797 3.230 20 5 DGBDMO COc1ccc(C[NH+]2C[C@H](C)C(F)(F)[C@@H](C)C2)cc1[N+](=O)[O-] ZINC000599511870 401062243 /nfs/dbraw/zinc/06/22/43/401062243.db2.gz CNJFVTMOEXGXMD-QWRGUYRKSA-N 1 1 314.332 3.327 20 5 DGBDMO COCCC1CC[NH+](Cc2ccc([N+](=O)[O-])cc2Cl)CC1 ZINC000599507183 401062599 /nfs/dbraw/zinc/06/25/99/401062599.db2.gz PLUSTRCBTFVEHA-UHFFFAOYSA-N 1 1 312.797 3.497 20 5 DGBDMO CCOc1ccc([N+](=O)[O-])cc1C[N@H+]1CC[C@H]2CC[C@@H](C1)S2 ZINC000599552480 401075446 /nfs/dbraw/zinc/07/54/46/401075446.db2.gz DMZUEFDDNUJLNI-CABCVRRESA-N 1 1 322.430 3.463 20 5 DGBDMO CC[C@@H](CN[C@H]1CCc2c1cccc2[N+](=O)[O-])[NH+]1CCCC1 ZINC000594493839 401077997 /nfs/dbraw/zinc/07/79/97/401077997.db2.gz NJXFDILRPXPGAQ-BBRMVZONSA-N 1 1 303.406 3.046 20 5 DGBDMO C[N@@H+](Cc1cc([N+](=O)[O-])ccc1C(F)(F)F)CC1(C)COC1 ZINC000599573505 401078614 /nfs/dbraw/zinc/07/86/14/401078614.db2.gz QXJKDCFKAMLLSR-UHFFFAOYSA-N 1 1 318.295 3.082 20 5 DGBDMO CC[C@H]1CCCC[N@H+]1CCC(=O)Nc1cccc([N+](=O)[O-])c1C ZINC000060089768 401100983 /nfs/dbraw/zinc/10/09/83/401100983.db2.gz LVDWVIMEBZKPRD-AWEZNQCLSA-N 1 1 319.405 3.496 20 5 DGBDMO O=C(CC[N@H+]1CCCC2(CC2)CC1)Nc1ccc([N+](=O)[O-])cc1 ZINC000599672476 401108089 /nfs/dbraw/zinc/10/80/89/401108089.db2.gz HERJMKFSZDPOJW-UHFFFAOYSA-N 1 1 317.389 3.190 20 5 DGBDMO CSCC[C@H](C)[N@@H+](C)Cc1nc2cc([N+](=O)[O-])ccc2o1 ZINC000083199215 401114331 /nfs/dbraw/zinc/11/43/31/401114331.db2.gz LWTIVCAUYMOBER-JTQLQIEISA-N 1 1 309.391 3.309 20 5 DGBDMO COc1ccc([N+](=O)[O-])c(N[C@@H]2CCC[N@H+]3CCCC[C@H]23)c1 ZINC000594599960 401125224 /nfs/dbraw/zinc/12/52/24/401125224.db2.gz KUTRQYUYDDRICV-UKRRQHHQSA-N 1 1 305.378 3.032 20 5 DGBDMO CC(=O)c1ccc(N[C@H]2CCC[N@H+]3CCCC[C@H]23)c([N+](=O)[O-])c1 ZINC000594600554 401125878 /nfs/dbraw/zinc/12/58/78/401125878.db2.gz MBLYXTPKNQISAM-GOEBONIOSA-N 1 1 317.389 3.226 20 5 DGBDMO C/C(=C\c1cccc([N+](=O)[O-])c1)C[N@H+]1CCC[C@H](CCO)C1 ZINC000615835327 401160573 /nfs/dbraw/zinc/16/05/73/401160573.db2.gz IWEBOUKARWVKDI-YVGNARHYSA-N 1 1 304.390 3.093 20 5 DGBDMO CC[N@H+]1CCN(C/C(C)=C\c2cccc([N+](=O)[O-])c2)C[C@H]1C ZINC000615835313 401160774 /nfs/dbraw/zinc/16/07/74/401160774.db2.gz ISOVGUGJICBBAI-BAAYTWLHSA-N 1 1 303.406 3.024 20 5 DGBDMO C[N@@H+](CCc1ccccc1[N+](=O)[O-])Cc1cnc(C2CC2)o1 ZINC000600160499 401200848 /nfs/dbraw/zinc/20/08/48/401200848.db2.gz TUQNBIHFPIBNCV-UHFFFAOYSA-N 1 1 301.346 3.135 20 5 DGBDMO Cc1ccc([N+](=O)[O-])c(NCCc2cn3c([nH+]2)CCCC3)c1 ZINC000088700407 401205141 /nfs/dbraw/zinc/20/51/41/401205141.db2.gz PTVYQAJGYDZUEY-UHFFFAOYSA-N 1 1 300.362 3.091 20 5 DGBDMO COc1cccc(OC)c1C[NH2+]Cc1ccc(C)c([N+](=O)[O-])c1 ZINC000594969106 401212461 /nfs/dbraw/zinc/21/24/61/401212461.db2.gz WSOTWCANHWWAMW-UHFFFAOYSA-N 1 1 316.357 3.210 20 5 DGBDMO CN(CC[N@@H+](C)C1CCCCC1)c1ccc(F)cc1[N+](=O)[O-] ZINC000063248152 401183477 /nfs/dbraw/zinc/18/34/77/401183477.db2.gz RYPPLCYCFCVEED-UHFFFAOYSA-N 1 1 309.385 3.435 20 5 DGBDMO CC(=O)c1ccc(N[C@@H](C)C[N@H+]2CCC[C@@H](C)C2)c([N+](=O)[O-])c1 ZINC000065586753 401272066 /nfs/dbraw/zinc/27/20/66/401272066.db2.gz YANNCHFDJNNUJU-OLZOCXBDSA-N 1 1 319.405 3.330 20 5 DGBDMO COc1cc([N+](=O)[O-])ccc1[C@@H](C)[NH2+]Cc1cnc(C)s1 ZINC000595014427 401233050 /nfs/dbraw/zinc/23/30/50/401233050.db2.gz VRHUEAUDHGDLGG-SECBINFHSA-N 1 1 307.375 3.219 20 5 DGBDMO CC(C)C[N@@H+](C)[C@H](C)C(=O)Nc1cc([N+](=O)[O-])ccc1Cl ZINC000065962621 401288129 /nfs/dbraw/zinc/28/81/29/401288129.db2.gz NAHQQZRXDMELIS-SNVBAGLBSA-N 1 1 313.785 3.163 20 5 DGBDMO COC[C@@H](Cc1ccccc1)[N@@H+](C)Cc1ccc([N+](=O)[O-])cc1 ZINC000191486202 165253085 /nfs/dbraw/zinc/25/30/85/165253085.db2.gz ZJZMLRNHRJRXSW-GOSISDBHSA-N 1 1 314.385 3.284 20 5 DGBDMO CC(C)C[C@]1(CO)CCC[N@H+]1Cc1c(F)cccc1[N+](=O)[O-] ZINC000191663512 165262863 /nfs/dbraw/zinc/26/28/63/165262863.db2.gz BUKJAJPKCDRHIB-INIZCTEOSA-N 1 1 310.369 3.107 20 5 DGBDMO CC(C)[N@H+]1CCC[C@H](CN[C@H](C)c2ccc([N+](=O)[O-])cc2)C1 ZINC000246868140 432174463 /nfs/dbraw/zinc/17/44/63/432174463.db2.gz CICTXUUEQORAOA-HUUCEWRRSA-N 1 1 305.422 3.366 20 5 DGBDMO C[N@@H+](Cc1cc(Cl)ccc1[N+](=O)[O-])[C@@H](CO)C(C)(C)C ZINC000269629332 432189888 /nfs/dbraw/zinc/18/98/88/432189888.db2.gz HGNMHAUWXFXJLM-ZDUSSCGKSA-N 1 1 300.786 3.087 20 5 DGBDMO CC(C)[N@H+](Cc1ccco1)C[C@H](O)c1cccc([N+](=O)[O-])c1 ZINC000269645829 432191104 /nfs/dbraw/zinc/19/11/04/432191104.db2.gz KWFOAWSMKIBIAJ-INIZCTEOSA-N 1 1 304.346 3.132 20 5 DGBDMO CCC[N@@H+](C)C[C@H]1CCN(c2c(F)cc([N+](=O)[O-])cc2F)C1 ZINC000269649114 432191680 /nfs/dbraw/zinc/19/16/80/432191680.db2.gz QAQYRYSGDFWQQW-LLVKDONJSA-N 1 1 313.348 3.041 20 5 DGBDMO CC(C)[N@H+](Cc1ccco1)C[C@@H](O)c1cccc([N+](=O)[O-])c1 ZINC000269645832 432191908 /nfs/dbraw/zinc/19/19/08/432191908.db2.gz KWFOAWSMKIBIAJ-MRXNPFEDSA-N 1 1 304.346 3.132 20 5 DGBDMO Cc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@@H+]1CCC[C@@H](C)[C@H]1C ZINC000247096668 432201516 /nfs/dbraw/zinc/20/15/16/432201516.db2.gz XSYGAJMXPPUFCU-TZMCWYRMSA-N 1 1 319.405 3.352 20 5 DGBDMO CCn1cc([C@H](C)[NH2+]Cc2cc(Cl)ccc2[N+](=O)[O-])cn1 ZINC000295898966 225360683 /nfs/dbraw/zinc/36/06/83/225360683.db2.gz DAGLLNUWZDSRSY-JTQLQIEISA-N 1 1 308.769 3.315 20 5 DGBDMO O=[N+]([O-])c1ccc2ccnc(N[C@@H]3CC[N@H+]4CCC[C@@H]4C3)c2c1 ZINC000413067901 230124827 /nfs/dbraw/zinc/12/48/27/230124827.db2.gz XHRLWTPXGVNCQD-ZIAGYGMSSA-N 1 1 312.373 3.182 20 5 DGBDMO C[C@@H]1C[C@H](Nc2nccc3ccc([N+](=O)[O-])cc32)C[N@H+]1C1CC1 ZINC000413187548 230149766 /nfs/dbraw/zinc/14/97/66/230149766.db2.gz RNKICHPOAWDGQB-YPMHNXCESA-N 1 1 312.373 3.180 20 5 DGBDMO Cc1cc(NC[C@H]2CCC[N@@H+](C)C2)c2cc([N+](=O)[O-])ccc2n1 ZINC000302196063 230154702 /nfs/dbraw/zinc/15/47/02/230154702.db2.gz SRVMAGFKSYCHSB-CYBMUJFWSA-N 1 1 314.389 3.205 20 5 DGBDMO Cc1cc(NC[C@H]2CCC[N@H+](C)C2)c2cc([N+](=O)[O-])ccc2n1 ZINC000302196063 230154705 /nfs/dbraw/zinc/15/47/05/230154705.db2.gz SRVMAGFKSYCHSB-CYBMUJFWSA-N 1 1 314.389 3.205 20 5 DGBDMO Cc1cc([N+](=O)[O-])cc(Cl)c1N1CC[NH+](CC2CC2)CC1 ZINC000302644099 230329521 /nfs/dbraw/zinc/32/95/21/230329521.db2.gz FJCGAUNRVODQLV-UHFFFAOYSA-N 1 1 309.797 3.089 20 5 DGBDMO CC[C@@H](Cc1ccc(C)cc1)[N@@H+](C)CCn1ccc([N+](=O)[O-])n1 ZINC000176269835 263547265 /nfs/dbraw/zinc/54/72/65/263547265.db2.gz XVTSVGCDSSPJCU-INIZCTEOSA-N 1 1 316.405 3.053 20 5 DGBDMO C[C@H]1C[C@H](C[NH3+])CN1Cc1ccc(-c2ccccc2[N+](=O)[O-])o1 ZINC000346655332 264073554 /nfs/dbraw/zinc/07/35/54/264073554.db2.gz FZHZFZKHIAWYTO-QWHCGFSZSA-N 1 1 315.373 3.024 20 5 DGBDMO CC[N@@H+](C/C(C)=C\c1cccc([N+](=O)[O-])c1)Cc1cnn(C)c1 ZINC000347360119 264206117 /nfs/dbraw/zinc/20/61/17/264206117.db2.gz OIYNATHOKCYJSY-ZSOIEALJSA-N 1 1 314.389 3.254 20 5 DGBDMO O=[N+]([O-])c1cc2ccccc2nc1N[C@@H]1CC[N@H+]2CCCC[C@H]12 ZINC000352362532 265016525 /nfs/dbraw/zinc/01/65/25/265016525.db2.gz VYQLZVFRVKREQL-HUUCEWRRSA-N 1 1 312.373 3.182 20 5 DGBDMO COc1ccc([N+](=O)[O-])cc1C[N@@H+]1CCC=C(c2ccco2)C1 ZINC000352563313 265089424 /nfs/dbraw/zinc/08/94/24/265089424.db2.gz PSAWBXNPNSCEGD-UHFFFAOYSA-N 1 1 314.341 3.486 20 5 DGBDMO COc1ccc([N+](=O)[O-])cc1C[N@H+]1CCC=C(c2ccco2)C1 ZINC000352563313 265089426 /nfs/dbraw/zinc/08/94/26/265089426.db2.gz PSAWBXNPNSCEGD-UHFFFAOYSA-N 1 1 314.341 3.486 20 5 DGBDMO O=[N+]([O-])c1ccc2c(c1)C[N@H+](C[C@@H]1Cc3ccccc31)CCO2 ZINC000352709020 265137724 /nfs/dbraw/zinc/13/77/24/265137724.db2.gz ISODWXNHUDKZNW-AWEZNQCLSA-N 1 1 310.353 3.129 20 5 DGBDMO CCOC1CC2(C1)CC[N@H+](Cc1c(F)cccc1[N+](=O)[O-])C2 ZINC000353022404 265269324 /nfs/dbraw/zinc/26/93/24/265269324.db2.gz LUFPRKNCIBJHQZ-UHFFFAOYSA-N 1 1 308.353 3.125 20 5 DGBDMO CCOC1CC2(C1)CC[N@@H+](Cc1c(F)cccc1[N+](=O)[O-])C2 ZINC000353022404 265269327 /nfs/dbraw/zinc/26/93/27/265269327.db2.gz LUFPRKNCIBJHQZ-UHFFFAOYSA-N 1 1 308.353 3.125 20 5 DGBDMO CCO[C@@H]1C[C@H]([N@@H+](C)Cc2ccc([N+](=O)[O-])cc2)C12CCC2 ZINC000355191265 265991930 /nfs/dbraw/zinc/99/19/30/265991930.db2.gz ZJYKSASICIYHBI-JKSUJKDBSA-N 1 1 304.390 3.374 20 5 DGBDMO Cc1cc(NC(=O)c2cccc(C)c2[N+](=O)[O-])cn2cc[nH+]c12 ZINC000355461876 266080605 /nfs/dbraw/zinc/08/06/05/266080605.db2.gz OUMZHAHQUWLGRH-UHFFFAOYSA-N 1 1 310.313 3.112 20 5 DGBDMO Cc1cc(NC(=O)c2c(C)cccc2[N+](=O)[O-])cn2cc[nH+]c12 ZINC000355491022 266091830 /nfs/dbraw/zinc/09/18/30/266091830.db2.gz GFSXNWWBOFUHLJ-UHFFFAOYSA-N 1 1 310.313 3.112 20 5 DGBDMO C[N@@H+](Cc1cc([N+](=O)[O-])cc2c1OCOC2)[C@@H]1CCC(C)(C)C1 ZINC000355583568 266122270 /nfs/dbraw/zinc/12/22/70/266122270.db2.gz NLWKQXHBKHNTLZ-CQSZACIVSA-N 1 1 320.389 3.472 20 5 DGBDMO C[C@@H]1COCC[N@@H+](Cc2ccc(-c3ccccc3[N+](=O)[O-])o2)C1 ZINC000359882210 271008838 /nfs/dbraw/zinc/00/88/38/271008838.db2.gz VKBKEQGFMJYLAJ-ZDUSSCGKSA-N 1 1 316.357 3.323 20 5 DGBDMO O=[N+]([O-])c1ccc(C[NH+]2CCC(c3cn[nH]c3)CC2)c(Cl)c1 ZINC000367789778 271077514 /nfs/dbraw/zinc/07/75/14/271077514.db2.gz FTMSYSOJSSGHKE-UHFFFAOYSA-N 1 1 320.780 3.351 20 5 DGBDMO CCOc1cccc(N[C@H]2CC[N@H+]3CCC[C@@H]3C2)c1[N+](=O)[O-] ZINC000368601398 271177936 /nfs/dbraw/zinc/17/79/36/271177936.db2.gz FTMZTADAASZALC-QWHCGFSZSA-N 1 1 305.378 3.032 20 5 DGBDMO O=[N+]([O-])c1ccc(F)cc1C[N@@H+]1CCC[C@@H](OCC2CC2)C1 ZINC000368786202 271207488 /nfs/dbraw/zinc/20/74/88/271207488.db2.gz JBWXYUKXYGHRTL-OAHLLOKOSA-N 1 1 308.353 3.125 20 5 DGBDMO O=[N+]([O-])c1ccc(F)cc1C[N@H+]1CCC[C@@H](OCC2CC2)C1 ZINC000368786202 271207491 /nfs/dbraw/zinc/20/74/91/271207491.db2.gz JBWXYUKXYGHRTL-OAHLLOKOSA-N 1 1 308.353 3.125 20 5 DGBDMO COC[C@H]1CCCC[N@@H+](Cc2ccc([N+](=O)[O-])cc2Cl)C1 ZINC000369260727 271256012 /nfs/dbraw/zinc/25/60/12/271256012.db2.gz XMQNVGQQKQEUGE-LBPRGKRZSA-N 1 1 312.797 3.497 20 5 DGBDMO CCn1ccc(C[NH2+][C@@H]2CC(C)(C)c3ccc([N+](=O)[O-])cc32)n1 ZINC000414215442 273780710 /nfs/dbraw/zinc/78/07/10/273780710.db2.gz XWGZNOLSXMXRDD-MRXNPFEDSA-N 1 1 314.389 3.323 20 5 DGBDMO COC[C@@H]1CCC[N@@H+](Cc2c(Cl)cccc2[N+](=O)[O-])CC1 ZINC000452107400 274046050 /nfs/dbraw/zinc/04/60/50/274046050.db2.gz SNXFJKANYHGQNT-GFCCVEGCSA-N 1 1 312.797 3.497 20 5 DGBDMO C[C@@H]([N@@H+](C)Cc1cc([N+](=O)[O-])cc2c1OCOC2)C1(C)CC1 ZINC000177214172 274233916 /nfs/dbraw/zinc/23/39/16/274233916.db2.gz PKKZBTKNUPVSLK-LLVKDONJSA-N 1 1 306.362 3.082 20 5 DGBDMO C[C@@H](c1ccccc1[N+](=O)[O-])[N@H+]1CCC[C@@H](c2ncc[nH]2)C1 ZINC000266921614 274278106 /nfs/dbraw/zinc/27/81/06/274278106.db2.gz MGPQRAVCPHFOFW-QWHCGFSZSA-N 1 1 300.362 3.259 20 5 DGBDMO C[C@@H]1C[N@@H+](Cc2nc(-c3ccc([N+](=O)[O-])cc3)no2)C(C)(C)C1 ZINC000266905086 274357700 /nfs/dbraw/zinc/35/77/00/274357700.db2.gz BBNNKYXETJYPCV-NSHDSACASA-N 1 1 316.361 3.265 20 5 DGBDMO C[C@@H]1CN(c2ccc([N+](=O)[O-])c(C(F)(F)F)c2)C[C@H](C)[N@@H+]1C ZINC000338796370 274364262 /nfs/dbraw/zinc/36/42/62/274364262.db2.gz SALJKVAWNNLOSC-AOOOYVTPSA-N 1 1 317.311 3.142 20 5 DGBDMO C[C@H]([NH2+][C@H]1CC(C)(C)c2ccc([N+](=O)[O-])cc21)c1ccn(C)n1 ZINC000414182455 274524954 /nfs/dbraw/zinc/52/49/54/274524954.db2.gz NGFBJGDHZIPDKU-ZBEGNZNMSA-N 1 1 314.389 3.402 20 5 DGBDMO O=[N+]([O-])c1ccc2c(c1)[C@H](NCC[NH+]1CCCCCC1)CCC2 ZINC000447527056 275038331 /nfs/dbraw/zinc/03/83/31/275038331.db2.gz DVYXBDXZLDRQRP-GOSISDBHSA-N 1 1 317.433 3.438 20 5 DGBDMO O=[N+]([O-])c1cccc2c1ccnc2N1CCC[C@H](c2[nH]cc[nH+]2)C1 ZINC000450309560 275039567 /nfs/dbraw/zinc/03/95/67/275039567.db2.gz UJYYUCLHMZBCQN-LBPRGKRZSA-N 1 1 323.356 3.250 20 5 DGBDMO O=[N+]([O-])c1ccccc1CN1CC[C@@H]2[C@H](CCC[N@H+]2C2CC2)C1 ZINC000134873019 275039906 /nfs/dbraw/zinc/03/99/06/275039906.db2.gz JJJLIPVWPSIKIR-RHSMWYFYSA-N 1 1 315.417 3.044 20 5 DGBDMO O=[N+]([O-])c1ccccc1C[NH2+][C@H]1CCOc2ccc(F)cc21 ZINC000089512185 275039992 /nfs/dbraw/zinc/03/99/92/275039992.db2.gz CHSRBUCZLHNNSK-AWEZNQCLSA-N 1 1 302.305 3.347 20 5 DGBDMO CC(C)n1nccc1C[NH2+]C(C)(C)c1ccccc1[N+](=O)[O-] ZINC000291777043 275797254 /nfs/dbraw/zinc/79/72/54/275797254.db2.gz ULWFMKHWJLHKPO-UHFFFAOYSA-N 1 1 302.378 3.397 20 5 DGBDMO CC[N@@H+]1CC[C@H](CN[C@@H]2CCCCc3ccc([N+](=O)[O-])cc32)C1 ZINC000417331977 276221722 /nfs/dbraw/zinc/22/17/22/276221722.db2.gz WSFYCZAKVHKGCX-RDTXWAMCSA-N 1 1 317.433 3.294 20 5 DGBDMO CC[N@H+]1CC[C@H](CN[C@@H]2CCCCc3ccc([N+](=O)[O-])cc32)C1 ZINC000417331977 276221723 /nfs/dbraw/zinc/22/17/23/276221723.db2.gz WSFYCZAKVHKGCX-RDTXWAMCSA-N 1 1 317.433 3.294 20 5 DGBDMO CCCC[N@H+]1CCCC[C@H]1CNc1cc(C)c([N+](=O)[O-])cn1 ZINC000470857437 429711780 /nfs/dbraw/zinc/71/17/80/429711780.db2.gz CRVBLLSIKJFWHM-AWEZNQCLSA-N 1 1 306.410 3.365 20 5 DGBDMO COC(=O)C[C@H]1CCC[N@H+]1Cc1ccc(C(C)C)c([N+](=O)[O-])c1 ZINC000179892729 277329810 /nfs/dbraw/zinc/32/98/10/277329810.db2.gz OKNICBHYZLLAAW-CQSZACIVSA-N 1 1 320.389 3.246 20 5 DGBDMO Cc1cccc([N+](=O)[O-])c1N1CCC[C@H](Cc2[nH+]ccn2C)C1 ZINC000132550056 278931940 /nfs/dbraw/zinc/93/19/40/278931940.db2.gz FAZNHOCLHMEQAN-CQSZACIVSA-N 1 1 314.389 3.096 20 5 DGBDMO CC[C@@]1(C)CCC[N@@H+](CCC(=O)Nc2ccccc2[N+](=O)[O-])C1 ZINC000072803154 431350990 /nfs/dbraw/zinc/35/09/90/431350990.db2.gz JPDCPWQFYGAIDI-KRWDZBQOSA-N 1 1 319.405 3.436 20 5 DGBDMO C[C@@H]1C[C@@H]2CCCC[C@@H]2[N@H+]1CC(=O)Nc1ccccc1[N+](=O)[O-] ZINC000118850119 431623447 /nfs/dbraw/zinc/62/34/47/431623447.db2.gz YFDGLQJLNRAPAO-IPYPFGDCSA-N 1 1 317.389 3.186 20 5 DGBDMO CC1(C)C[N@H+](Cc2ccc(-c3ccc([N+](=O)[O-])cc3)o2)CCO1 ZINC000119269402 431668035 /nfs/dbraw/zinc/66/80/35/431668035.db2.gz IBAWVQZAKKPVQX-UHFFFAOYSA-N 1 1 316.357 3.466 20 5 DGBDMO CC1(C)C[N@@H+](Cc2ccc(-c3ccc([N+](=O)[O-])cc3)o2)CCO1 ZINC000119269402 431668041 /nfs/dbraw/zinc/66/80/41/431668041.db2.gz IBAWVQZAKKPVQX-UHFFFAOYSA-N 1 1 316.357 3.466 20 5 DGBDMO C[C@H](Cc1ccc(O)cc1)[N@@H+](C)Cc1ccccc1[N+](=O)[O-] ZINC000119393041 431686447 /nfs/dbraw/zinc/68/64/47/431686447.db2.gz MMBFQXPESAWABW-CYBMUJFWSA-N 1 1 300.358 3.363 20 5 DGBDMO CC[N@@H+](Cc1nnc(-c2ccc([N+](=O)[O-])cc2)o1)C1CCCC1 ZINC000078707607 431699642 /nfs/dbraw/zinc/69/96/42/431699642.db2.gz AYLQTASGPRVLMN-UHFFFAOYSA-N 1 1 316.361 3.409 20 5 DGBDMO CC[C@@H]1CCC[N@@H+](CCC(=O)Nc2ccccc2[N+](=O)[O-])C1 ZINC000030144624 431733210 /nfs/dbraw/zinc/73/32/10/431733210.db2.gz JTYJJAQIBRZIPK-CYBMUJFWSA-N 1 1 305.378 3.045 20 5 DGBDMO CC[C@H]1CCC[N@@H+](Cc2nnc(-c3ccc([N+](=O)[O-])cc3)o2)C1 ZINC000030142383 431734001 /nfs/dbraw/zinc/73/40/01/431734001.db2.gz VMAGBKRKNDDZPG-LBPRGKRZSA-N 1 1 316.361 3.267 20 5 DGBDMO CC[C@@H]1CCC[N@@H+](CCC(=O)Nc2ccc([N+](=O)[O-])cc2C)C1 ZINC000030144614 431734098 /nfs/dbraw/zinc/73/40/98/431734098.db2.gz PNTRIAVHFJGODI-CQSZACIVSA-N 1 1 319.405 3.354 20 5 DGBDMO Cc1ccc([C@H](C)NC2CC[NH+](C3CC3)CC2)cc1[N+](=O)[O-] ZINC000122839276 431846488 /nfs/dbraw/zinc/84/64/88/431846488.db2.gz SNAUZOHTZMPHAH-ZDUSSCGKSA-N 1 1 303.406 3.181 20 5 DGBDMO Cc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@@H+]1[C@H](C)CC[C@@H]1C ZINC000122977058 431850585 /nfs/dbraw/zinc/85/05/85/431850585.db2.gz CFOAYFIXHQUVGQ-BETUJISGSA-N 1 1 305.378 3.105 20 5 DGBDMO O=[N+]([O-])c1cccc(C[N@@H+](C[C@H]2CCCO2)[C@@H]2CCSC2)c1 ZINC000123571755 431868430 /nfs/dbraw/zinc/86/84/30/431868430.db2.gz MOTZZISHXXDHPU-HZPDHXFCSA-N 1 1 322.430 3.081 20 5 DGBDMO O=[N+]([O-])c1cccc(C[NH2+]Cc2cccc3c2OCCCO3)c1 ZINC000122443365 431832696 /nfs/dbraw/zinc/83/26/96/431832696.db2.gz PJFRLUGZMGYMAW-UHFFFAOYSA-N 1 1 314.341 3.046 20 5 DGBDMO C[N@@H+](CCOc1ccccc1[N+](=O)[O-])Cc1cccc(F)c1 ZINC000051378572 431950890 /nfs/dbraw/zinc/95/08/90/431950890.db2.gz WEFYYXPROKMLSC-UHFFFAOYSA-N 1 1 304.321 3.245 20 5 DGBDMO CC(C)[N@@H+](C)CCNc1ccc(Br)cc1[N+](=O)[O-] ZINC000054128145 431968051 /nfs/dbraw/zinc/96/80/51/431968051.db2.gz VUTJVROSNCPYRD-UHFFFAOYSA-N 1 1 316.199 3.109 20 5 DGBDMO Cc1ccc([N+](=O)[O-])c(N2CC[C@@H]3[C@H](CCC[N@H+]3C3CC3)C2)c1 ZINC000448066071 281013388 /nfs/dbraw/zinc/01/33/88/281013388.db2.gz CEWNTKRVVYPYNV-GDBMZVCRSA-N 1 1 315.417 3.356 20 5 DGBDMO CCC[N@@H+](CC)[C@H](C)c1nnc(-c2ccc([N+](=O)[O-])cc2)o1 ZINC000270688064 432278163 /nfs/dbraw/zinc/27/81/63/432278163.db2.gz DUUIEBCICJDQST-LLVKDONJSA-N 1 1 304.350 3.438 20 5 DGBDMO Cc1ccc([N+](=O)[O-])cc1[C@@H](C)N[C@H](C)C[NH+]1CCCCC1 ZINC000151862968 432283749 /nfs/dbraw/zinc/28/37/49/432283749.db2.gz NVRIYCFEOGXOGW-HUUCEWRRSA-N 1 1 305.422 3.428 20 5 DGBDMO CC[C@@H](CN[C@@H](C)c1cccc([N+](=O)[O-])c1C)[NH+]1CCCC1 ZINC000151687033 432266069 /nfs/dbraw/zinc/26/60/69/432266069.db2.gz NUSRVCAQXLNKQK-GJZGRUSLSA-N 1 1 305.422 3.428 20 5 DGBDMO COc1ccc([N+](=O)[O-])cc1C[N@@H+](C)C[C@@H](C)c1nccs1 ZINC000183919433 432335237 /nfs/dbraw/zinc/33/52/37/432335237.db2.gz XJSDUIRMIBISCF-LLVKDONJSA-N 1 1 321.402 3.295 20 5 DGBDMO O=[N+]([O-])c1cnc(NC[C@H]2CCC[N@H+]2Cc2ccccc2)s1 ZINC000192455919 432376919 /nfs/dbraw/zinc/37/69/19/432376919.db2.gz WAAVBANNXQMHOJ-CYBMUJFWSA-N 1 1 318.402 3.128 20 5 DGBDMO C[N@@H+](Cc1ccccc1)CC(C)(C)Nc1ncc([N+](=O)[O-])s1 ZINC000192508965 432382253 /nfs/dbraw/zinc/38/22/53/432382253.db2.gz RVVKHNHDPFJTIV-UHFFFAOYSA-N 1 1 320.418 3.374 20 5 DGBDMO Cc1ccc([C@@H](O)C[N@H+](C)Cc2ccccc2[N+](=O)[O-])cc1 ZINC000174724874 432367855 /nfs/dbraw/zinc/36/78/55/432367855.db2.gz PMGZEOGBUACHRC-KRWDZBQOSA-N 1 1 300.358 3.069 20 5 DGBDMO COc1ccc(C[N@H+](Cc2ccc([N+](=O)[O-])cc2)C2CC2)nc1 ZINC000272029934 432433955 /nfs/dbraw/zinc/43/39/55/432433955.db2.gz MVLUDHYSGWXFQJ-UHFFFAOYSA-N 1 1 313.357 3.163 20 5 DGBDMO COc1ccc(C[N@@H+](Cc2ccc([N+](=O)[O-])cc2)C2CC2)nc1 ZINC000272029934 432433959 /nfs/dbraw/zinc/43/39/59/432433959.db2.gz MVLUDHYSGWXFQJ-UHFFFAOYSA-N 1 1 313.357 3.163 20 5 DGBDMO CCOc1ccc([N+](=O)[O-])cc1C[N@H+]1CCC[C@@]1(C)CCCO ZINC000272062769 432438659 /nfs/dbraw/zinc/43/86/59/432438659.db2.gz XBVUAQDEHNVBBS-KRWDZBQOSA-N 1 1 322.405 3.121 20 5 DGBDMO C[C@@H](N[C@@H]1CC[N@H+](C2CCCC2)C1)c1ccc([N+](=O)[O-])cc1 ZINC000153783292 432443963 /nfs/dbraw/zinc/44/39/63/432443963.db2.gz ZBMBGYLRLWBHRN-UKRRQHHQSA-N 1 1 303.406 3.262 20 5 DGBDMO C[C@@H]([NH2+][C@@H]1CCN(C2CCCC2)C1)c1ccc([N+](=O)[O-])cc1 ZINC000153783292 432443968 /nfs/dbraw/zinc/44/39/68/432443968.db2.gz ZBMBGYLRLWBHRN-UKRRQHHQSA-N 1 1 303.406 3.262 20 5 DGBDMO CCOC[C@H]1CCC[N@@H+](Cc2ccc(Cl)c([N+](=O)[O-])c2)C1 ZINC000153931219 432457720 /nfs/dbraw/zinc/45/77/20/432457720.db2.gz OOQZGWGYWOWZGN-ZDUSSCGKSA-N 1 1 312.797 3.497 20 5 DGBDMO CCOc1ccc([C@@H](C)NCC[N@H+](CC)C2CC2)cc1[N+](=O)[O-] ZINC000153493209 432412978 /nfs/dbraw/zinc/41/29/78/432412978.db2.gz XBEPZJHNUMXADQ-CYBMUJFWSA-N 1 1 321.421 3.128 20 5 DGBDMO CCOc1ccc([C@@H](C)NCC[N@@H+](CC)C2CC2)cc1[N+](=O)[O-] ZINC000153493209 432412983 /nfs/dbraw/zinc/41/29/83/432412983.db2.gz XBEPZJHNUMXADQ-CYBMUJFWSA-N 1 1 321.421 3.128 20 5 DGBDMO CCOc1ccc([C@H](C)NCC[N@@H+](C)[C@@H](C)CC)cc1[N+](=O)[O-] ZINC000153525845 432417966 /nfs/dbraw/zinc/41/79/66/432417966.db2.gz SNHWJBBYEUQRJJ-KBPBESRZSA-N 1 1 323.437 3.374 20 5 DGBDMO CCOc1ccc([C@H](C)[NH2+]CCN(C)[C@@H](C)CC)cc1[N+](=O)[O-] ZINC000153525845 432417969 /nfs/dbraw/zinc/41/79/69/432417969.db2.gz SNHWJBBYEUQRJJ-KBPBESRZSA-N 1 1 323.437 3.374 20 5 DGBDMO COc1cc(C[N@@H+](C)C(C)C)c([N+](=O)[O-])cc1OCC(F)F ZINC000272330372 432482397 /nfs/dbraw/zinc/48/23/97/432482397.db2.gz WHECEPBKJCFCNJ-UHFFFAOYSA-N 1 1 318.320 3.088 20 5 DGBDMO Cc1ccc([N+](=O)[O-])cc1NC(=O)CCn1cc[nH+]c1C(C)C ZINC000154451722 432499270 /nfs/dbraw/zinc/49/92/70/432499270.db2.gz NYYIYDPVBWRVJF-UHFFFAOYSA-N 1 1 316.361 3.252 20 5 DGBDMO CC[C@H](C)[N@@H+](CCn1ccc([N+](=O)[O-])n1)Cc1ccccc1 ZINC000176195567 432500373 /nfs/dbraw/zinc/50/03/73/432500373.db2.gz XPVSCZIYTAMFDE-AWEZNQCLSA-N 1 1 302.378 3.092 20 5 DGBDMO C[C@@H](c1ccccc1Cl)[N@@H+](C)CCn1ccc([N+](=O)[O-])n1 ZINC000176212763 432501282 /nfs/dbraw/zinc/50/12/82/432501282.db2.gz YNKVQZQUPFVHGN-NSHDSACASA-N 1 1 308.769 3.138 20 5 DGBDMO C[C@@H]1C[C@@H](c2ccccc2F)[N@@H+](CCn2ccc([N+](=O)[O-])n2)C1 ZINC000176270143 432505417 /nfs/dbraw/zinc/50/54/17/432505417.db2.gz VBINIWFCHKRQBF-DOMZBBRYSA-N 1 1 318.352 3.014 20 5 DGBDMO CCSCC[C@@H](C)[N@@H+](C)C[C@H](O)c1cccc([N+](=O)[O-])c1 ZINC000154600522 432509145 /nfs/dbraw/zinc/50/91/45/432509145.db2.gz QYUZPLSRSAEGIU-DOMZBBRYSA-N 1 1 312.435 3.092 20 5 DGBDMO C[C@H]([NH2+]CCc1ccc([N+](=O)[O-])cc1)c1nc(C(C)(C)C)no1 ZINC000194507819 432557111 /nfs/dbraw/zinc/55/71/11/432557111.db2.gz BYNILPIAEMTSGO-NSHDSACASA-N 1 1 318.377 3.169 20 5 DGBDMO C[C@H](O)[C@H]1CC[N@@H+](Cc2ccc(-c3ccccc3[N+](=O)[O-])o2)C1 ZINC000272578026 432528125 /nfs/dbraw/zinc/52/81/25/432528125.db2.gz XMEDHKOGQUWENR-STQMWFEESA-N 1 1 316.357 3.058 20 5 DGBDMO C[N@H+](Cc1cccc([N+](=O)[O-])c1)C[C@@H]1OCCc2ccccc21 ZINC000263753641 432573166 /nfs/dbraw/zinc/57/31/66/432573166.db2.gz SYCLRSODXZDHKY-SFHVURJKSA-N 1 1 312.369 3.341 20 5 DGBDMO Cc1c(NC(=O)CC[N@H+](C)[C@H](C)C(C)C)cccc1[N+](=O)[O-] ZINC000263931184 432595498 /nfs/dbraw/zinc/59/54/98/432595498.db2.gz AGVXIRMLDDWDSA-CYBMUJFWSA-N 1 1 307.394 3.208 20 5 DGBDMO COc1ccc(C[N@@H+](C[C@@H](C)O)C2CCCCC2)cc1[N+](=O)[O-] ZINC000264209655 432626290 /nfs/dbraw/zinc/62/62/90/432626290.db2.gz SAJPXVNZVABJSE-CYBMUJFWSA-N 1 1 322.405 3.119 20 5 DGBDMO CC[C@@H](C)C[N@@H+](CC)CC(=O)Nc1cc([N+](=O)[O-])ccc1C ZINC000177849683 432668572 /nfs/dbraw/zinc/66/85/72/432668572.db2.gz DXUCEQHZDPFXNO-GFCCVEGCSA-N 1 1 307.394 3.210 20 5 DGBDMO C[C@@H]1CCCC[N@H+]1C[C@H]1CCCN(c2ccc([N+](=O)[O-])cn2)C1 ZINC000265056676 432666434 /nfs/dbraw/zinc/66/64/34/432666434.db2.gz MFZMMZYBRNAQKT-HUUCEWRRSA-N 1 1 318.421 3.081 20 5 DGBDMO O=[N+]([O-])c1ccc(Cl)c(C[N@H+]2CC[C@H]3OCCC[C@@H]3C2)c1 ZINC000177992871 432683232 /nfs/dbraw/zinc/68/32/32/432683232.db2.gz DEVOATOBVIVDKA-IAQYHMDHSA-N 1 1 310.781 3.249 20 5 DGBDMO CCC(C)(C)[N@@H+](C)CCC(=O)Nc1cc([N+](=O)[O-])ccc1OC ZINC000265272233 432684158 /nfs/dbraw/zinc/68/41/58/432684158.db2.gz XITHXGZQMYUQMD-UHFFFAOYSA-N 1 1 323.393 3.052 20 5 DGBDMO CCOc1ncccc1C[NH2+][C@@H](C)c1ccc([N+](=O)[O-])cc1 ZINC000178642752 432761110 /nfs/dbraw/zinc/76/11/10/432761110.db2.gz QXRKNQGDTHWNBV-LBPRGKRZSA-N 1 1 301.346 3.239 20 5 DGBDMO C[N@H+](Cc1cc(=O)oc2ccc3ccccc3c12)C[C@@H]1CCOC1 ZINC000178776313 432775563 /nfs/dbraw/zinc/77/55/63/432775563.db2.gz UTZPADSMOQRELB-AWEZNQCLSA-N 1 1 323.392 3.415 20 5 DGBDMO C[C@H]1C[N@@H+](Cc2nc(-c3ccc([N+](=O)[O-])cc3)no2)C(C)(C)C1 ZINC000266905085 432795270 /nfs/dbraw/zinc/79/52/70/432795270.db2.gz BBNNKYXETJYPCV-LLVKDONJSA-N 1 1 316.361 3.265 20 5 DGBDMO C[N@H+](Cc1ccc(Cl)cc1[N+](=O)[O-])C[C@H]1CCCC[C@H]1O ZINC000245543377 432841210 /nfs/dbraw/zinc/84/12/10/432841210.db2.gz KPMUNWGJTOXUTL-IUODEOHRSA-N 1 1 312.797 3.231 20 5 DGBDMO C[C@@H]1C[N@H+](Cc2ccc(-c3ccccc3[N+](=O)[O-])o2)[C@@H](C)CO1 ZINC000245544826 432841819 /nfs/dbraw/zinc/84/18/19/432841819.db2.gz SPLOMQICKMIYIM-QWHCGFSZSA-N 1 1 316.357 3.464 20 5 DGBDMO C[C@@H]1C[N@@H+](Cc2ccc(-c3ccccc3[N+](=O)[O-])o2)[C@@H](C)CO1 ZINC000245544826 432841822 /nfs/dbraw/zinc/84/18/22/432841822.db2.gz SPLOMQICKMIYIM-QWHCGFSZSA-N 1 1 316.357 3.464 20 5 DGBDMO CC[N@H+](Cc1ccc(OC)c([N+](=O)[O-])c1)Cc1ccccn1 ZINC000268165238 432851175 /nfs/dbraw/zinc/85/11/75/432851175.db2.gz PKAIQYSHIZZWMK-UHFFFAOYSA-N 1 1 301.346 3.021 20 5 DGBDMO CC[N@@H+](Cc1ccc(OC)c([N+](=O)[O-])c1)Cc1ccccn1 ZINC000268165238 432851177 /nfs/dbraw/zinc/85/11/77/432851177.db2.gz PKAIQYSHIZZWMK-UHFFFAOYSA-N 1 1 301.346 3.021 20 5 DGBDMO C[C@]1(CCCO)CCC[N@H+]1Cc1ccc(Cl)cc1[N+](=O)[O-] ZINC000330677227 432924016 /nfs/dbraw/zinc/92/40/16/432924016.db2.gz KYOWVXVBCZBEGF-OAHLLOKOSA-N 1 1 312.797 3.375 20 5 DGBDMO Cn1cnc2cc(C[N@@H+](C)CCc3ccccc3[N+](=O)[O-])ccc21 ZINC000289341764 432945981 /nfs/dbraw/zinc/94/59/81/432945981.db2.gz HXTJFEGGWFNYGN-UHFFFAOYSA-N 1 1 324.384 3.156 20 5 DGBDMO O=[N+]([O-])c1ccccc1OCC[N@H+]1CCCc2occc2C1 ZINC000288930309 432906486 /nfs/dbraw/zinc/90/64/86/432906486.db2.gz VWQUJIRZJVPGJR-UHFFFAOYSA-N 1 1 302.330 3.015 20 5 DGBDMO C[N@H+](CCc1ccccc1[N+](=O)[O-])CC[C@H](O)c1ccccc1 ZINC000289367603 432949861 /nfs/dbraw/zinc/94/98/61/432949861.db2.gz HYSSERMPDNOABO-SFHVURJKSA-N 1 1 314.385 3.193 20 5 DGBDMO Cc1cnn(CC2CC[NH+](Cc3csc([N+](=O)[O-])c3)CC2)c1 ZINC000332115978 432974076 /nfs/dbraw/zinc/97/40/76/432974076.db2.gz XFNFEAPMNJKJOT-UHFFFAOYSA-N 1 1 320.418 3.073 20 5 DGBDMO C[C@H]1C[N@@H+](Cc2nnc(-c3ccc([N+](=O)[O-])cc3)o2)C(C)(C)C1 ZINC000332137452 432977309 /nfs/dbraw/zinc/97/73/09/432977309.db2.gz OXUPHKUXEPXJQP-LLVKDONJSA-N 1 1 316.361 3.265 20 5 DGBDMO CCOc1cc(C[N@H+]2CCS[C@@H](C)CC2)ccc1[N+](=O)[O-] ZINC000332257246 432991412 /nfs/dbraw/zinc/99/14/12/432991412.db2.gz ZQZZBTKKIKOANM-LBPRGKRZSA-N 1 1 310.419 3.321 20 5 DGBDMO C[C@@H]1C[C@H](Nc2nccc3cc([N+](=O)[O-])ccc32)C[N@H+]1C1CC1 ZINC000297498709 432997776 /nfs/dbraw/zinc/99/77/76/432997776.db2.gz MYGUZHWLXXTTAQ-YPMHNXCESA-N 1 1 312.373 3.180 20 5 DGBDMO CC[N@@H+](CCOc1cccc([N+](=O)[O-])c1)[C@H]1CCOC(C)(C)C1 ZINC000289377830 432951453 /nfs/dbraw/zinc/95/14/53/432951453.db2.gz BZZVJTRDXAPXCS-HNNXBMFYSA-N 1 1 322.405 3.253 20 5 DGBDMO O=[N+]([O-])c1ccccc1C=CC[NH2+]CCc1ccc2cn[nH]c2c1 ZINC000341277074 433014509 /nfs/dbraw/zinc/01/45/09/433014509.db2.gz SQMBZVDFASRBGR-HWKANZROSA-N 1 1 322.368 3.317 20 5 DGBDMO CC[N@@H+](CCOC)Cc1ccc(-c2ccc([N+](=O)[O-])cc2)o1 ZINC000349860447 433024158 /nfs/dbraw/zinc/02/41/58/433024158.db2.gz GLEFFXLXIXSMFZ-UHFFFAOYSA-N 1 1 304.346 3.323 20 5 DGBDMO CC1(C)C[N@@H+](Cc2ccc(-c3ccc([N+](=O)[O-])cc3)o2)C[C@H]1O ZINC000280487697 433058708 /nfs/dbraw/zinc/05/87/08/433058708.db2.gz OORFLKOIVPFCLE-MRXNPFEDSA-N 1 1 316.357 3.058 20 5 DGBDMO O=[N+]([O-])c1ccc2[nH]c(C[N@H+]3CC[C@@H](c4ccccc4)C3)nc2c1 ZINC000361264433 433065820 /nfs/dbraw/zinc/06/58/20/433065820.db2.gz FARRESKXNLYWDB-CQSZACIVSA-N 1 1 322.368 3.461 20 5 DGBDMO C[C@@H](O)C[C@@H]1CCCC[N@H+]1C/C=C/c1ccccc1[N+](=O)[O-] ZINC000280579836 433092794 /nfs/dbraw/zinc/09/27/94/433092794.db2.gz WOWIBDCKYGTZMQ-BIYNOUFRSA-N 1 1 304.390 3.233 20 5 DGBDMO Cc1c([C@@H](C)[N@H+]2CCC[C@]3(CCOC3)C2)cccc1[N+](=O)[O-] ZINC000453385842 433140868 /nfs/dbraw/zinc/14/08/68/433140868.db2.gz UVFMHTPMYXHMMQ-PBHICJAKSA-N 1 1 304.390 3.467 20 5 DGBDMO C[C@@H]1C[C@@H]([NH2+][C@@H]2CCCc3ccc([N+](=O)[O-])cc32)c2nccn21 ZINC000453349762 433113984 /nfs/dbraw/zinc/11/39/84/433113984.db2.gz LYEKKRKCLOOFDC-HFBAOOFYSA-N 1 1 312.373 3.464 20 5 DGBDMO CC1=CCC[N@@H+]([C@@H](C)c2nnc(-c3ccc([N+](=O)[O-])cc3)o2)C1 ZINC000280820951 433187955 /nfs/dbraw/zinc/18/79/55/433187955.db2.gz NLUZOXOJRGSNHU-LBPRGKRZSA-N 1 1 314.345 3.358 20 5 DGBDMO CC1=CCC[N@H+]([C@@H](C)c2nnc(-c3ccc([N+](=O)[O-])cc3)o2)C1 ZINC000280820951 433187973 /nfs/dbraw/zinc/18/79/73/433187973.db2.gz NLUZOXOJRGSNHU-LBPRGKRZSA-N 1 1 314.345 3.358 20 5 DGBDMO C[NH+](C)C1(CN[C@H]2CCCc3ccc([N+](=O)[O-])cc32)CCCC1 ZINC000447512461 433210533 /nfs/dbraw/zinc/21/05/33/433210533.db2.gz YLDGFLDUWNIVCA-KRWDZBQOSA-N 1 1 317.433 3.436 20 5 DGBDMO CC[N@@H+](CC1CCC1)[C@@H](C)C(=O)Nc1cccc([N+](=O)[O-])c1C ZINC000361485537 433200467 /nfs/dbraw/zinc/20/04/67/433200467.db2.gz OPSHBWMHYCEXKC-ZDUSSCGKSA-N 1 1 319.405 3.352 20 5 DGBDMO CC(C)c1ccc(C[N@H+]2CCC[C@@H](CO)CC2)cc1[N+](=O)[O-] ZINC000354670000 433213089 /nfs/dbraw/zinc/21/30/89/433213089.db2.gz AKUGTTQOERACTI-CQSZACIVSA-N 1 1 306.406 3.313 20 5 DGBDMO CC(C)(C)OC(=O)[C@]1(C)CC[N@@H+](Cc2ccc([N+](=O)[O-])cc2)C1 ZINC000453623012 433246777 /nfs/dbraw/zinc/24/67/77/433246777.db2.gz OKHBMTNXXIADIC-QGZVFWFLSA-N 1 1 320.389 3.149 20 5 DGBDMO CCC[N@@H+](CCn1cc([N+](=O)[O-])cn1)[C@@H]1CCc2ccccc21 ZINC000350732522 433269124 /nfs/dbraw/zinc/26/91/24/433269124.db2.gz PAIMDEWNWXDIBK-QGZVFWFLSA-N 1 1 314.389 3.191 20 5 DGBDMO CC(C)(C)OC(=O)[C@]1(C)CC[N@@H+](Cc2cccc([N+](=O)[O-])c2)C1 ZINC000453625217 433248765 /nfs/dbraw/zinc/24/87/65/433248765.db2.gz RHBGYHXNXCUKIM-QGZVFWFLSA-N 1 1 320.389 3.149 20 5 DGBDMO C[C@@H]1[C@H](Nc2ccc([N+](=O)[O-])c3ncccc23)CCC[N@H+]1C ZINC000413232632 433267450 /nfs/dbraw/zinc/26/74/50/433267450.db2.gz CMMQCLXXZSYKHS-DGCLKSJQSA-N 1 1 300.362 3.038 20 5 DGBDMO COc1cccc(C[NH2+]C(C)(C)c2ccccc2[N+](=O)[O-])n1 ZINC000291663535 433306564 /nfs/dbraw/zinc/30/65/64/433306564.db2.gz FJKIAKAPYVLPAM-UHFFFAOYSA-N 1 1 301.346 3.023 20 5 DGBDMO O=C(C[N@H+]1CC[C@H](C2CCCC2)C1)Nc1ccccc1[N+](=O)[O-] ZINC000420961862 433356875 /nfs/dbraw/zinc/35/68/75/433356875.db2.gz JGDBDGCESZIVSR-AWEZNQCLSA-N 1 1 317.389 3.045 20 5 DGBDMO COc1cc(C[N@H+](C)Cc2cccc([N+](=O)[O-])c2)cc(OC)c1 ZINC000299127981 433328299 /nfs/dbraw/zinc/32/82/99/433328299.db2.gz JSSWHPZLNRJVOZ-UHFFFAOYSA-N 1 1 316.357 3.244 20 5 DGBDMO COc1cc(C[N@@H+](C)Cc2cccc([N+](=O)[O-])c2)cc(OC)c1 ZINC000299127981 433328305 /nfs/dbraw/zinc/32/83/05/433328305.db2.gz JSSWHPZLNRJVOZ-UHFFFAOYSA-N 1 1 316.357 3.244 20 5 DGBDMO COCC[N@H+](Cc1ccccc1[N+](=O)[O-])C[C@@H]1CC=CCC1 ZINC000361687575 433343137 /nfs/dbraw/zinc/34/31/37/433343137.db2.gz PVMGWIVVPXEEQW-OAHLLOKOSA-N 1 1 304.390 3.400 20 5 DGBDMO C[N@H+]1CCC[C@@H](CNc2ccc([N+](=O)[O-])c(C(F)(F)F)c2)C1 ZINC000301132256 433428502 /nfs/dbraw/zinc/42/85/02/433428502.db2.gz WGDLWIXIAHPNHF-JTQLQIEISA-N 1 1 317.311 3.367 20 5 DGBDMO Cc1cc(C)c([N+](=O)[O-])cc1NC(=O)C[N@@H+]1[C@H](C)CC[C@@H]1C ZINC000342038518 433431267 /nfs/dbraw/zinc/43/12/67/433431267.db2.gz JHSHEFXRHBQKKY-BETUJISGSA-N 1 1 305.378 3.023 20 5 DGBDMO CC[C@@H](C)[N@@H+](C)CCNc1ccc([N+](=O)[O-])c2cnccc12 ZINC000301149956 433432108 /nfs/dbraw/zinc/43/21/08/433432108.db2.gz MGTWZYWNTVYFRY-GFCCVEGCSA-N 1 1 302.378 3.285 20 5 DGBDMO C[C@H]1[C@@H](CO)CC[N@H+]1Cc1ccc(-c2ccccc2[N+](=O)[O-])o1 ZINC000425958220 433384244 /nfs/dbraw/zinc/38/42/44/433384244.db2.gz FJAZVZKYQDBFAF-QWHCGFSZSA-N 1 1 316.357 3.058 20 5 DGBDMO O=[N+]([O-])c1cc(Cl)ccc1C[N@@H+]1CCC[C@H](CCO)CC1 ZINC000421020996 433393930 /nfs/dbraw/zinc/39/39/30/433393930.db2.gz RWAIRVHMQBGFEV-LBPRGKRZSA-N 1 1 312.797 3.233 20 5 DGBDMO CC1(C)[C@@H](c2ccccc2)CC[N@H+]1CCn1ccc([N+](=O)[O-])n1 ZINC000421030104 433397133 /nfs/dbraw/zinc/39/71/33/433397133.db2.gz YHDZVXICDJIFDI-OAHLLOKOSA-N 1 1 314.389 3.059 20 5 DGBDMO CC[N@H+]1CCCC[C@H]1CNc1ccc([N+](=O)[O-])c2cnccc12 ZINC000301228449 433458838 /nfs/dbraw/zinc/45/88/38/433458838.db2.gz DCSMHCJSYXLFMU-ZDUSSCGKSA-N 1 1 314.389 3.429 20 5 DGBDMO Cc1cnc(NCCC[N@H+](C)C2CCCCC2)c([N+](=O)[O-])c1 ZINC000301340253 433513910 /nfs/dbraw/zinc/51/39/10/433513910.db2.gz FRTPQYSNDPTDSL-UHFFFAOYSA-N 1 1 306.410 3.365 20 5 DGBDMO O=[N+]([O-])c1ccc(-c2noc(C[N@H+]3CC[C@H]4CCC[C@@H]43)n2)cc1 ZINC000426461437 433500761 /nfs/dbraw/zinc/50/07/61/433500761.db2.gz PDYKENBEFMLKNV-RISCZKNCSA-N 1 1 314.345 3.019 20 5 DGBDMO CO[C@H]1[C@H]2[C@H]3C[C@@H]1C[C@H]3C[N@H+]2Cc1ccc(Cl)cc1[N+](=O)[O-] ZINC000375746103 433552556 /nfs/dbraw/zinc/55/25/56/433552556.db2.gz WXUPXTNCTJUJTL-XNHOIOAFSA-N 1 1 322.792 3.103 20 5 DGBDMO C/C(=C\c1cccc([N+](=O)[O-])c1)CN(C)C[C@@H]1CCC[N@H+]1C ZINC000421412955 433557940 /nfs/dbraw/zinc/55/79/40/433557940.db2.gz UVWANEJGXJGZOG-SHRNQRGKSA-N 1 1 303.406 3.024 20 5 DGBDMO C/C(=C\c1cccc([N+](=O)[O-])c1)C[N@@H+](C)C[C@@H]1CCCN1C ZINC000421412955 433557949 /nfs/dbraw/zinc/55/79/49/433557949.db2.gz UVWANEJGXJGZOG-SHRNQRGKSA-N 1 1 303.406 3.024 20 5 DGBDMO C/C(=C\c1cccc([N+](=O)[O-])c1)C[N@H+](C)C[C@@H]1CCCN1C ZINC000421412955 433557955 /nfs/dbraw/zinc/55/79/55/433557955.db2.gz UVWANEJGXJGZOG-SHRNQRGKSA-N 1 1 303.406 3.024 20 5 DGBDMO Cc1cnc(NCCCC[N@@H+]2C[C@H](C)C[C@H](C)C2)c([N+](=O)[O-])c1 ZINC000301449862 433560044 /nfs/dbraw/zinc/56/00/44/433560044.db2.gz PQBBPSMNDDMYBU-GASCZTMLSA-N 1 1 320.437 3.468 20 5 DGBDMO Cc1cnc(NC[C@@H](C)[N@@H+](C)Cc2ccccc2)c([N+](=O)[O-])c1 ZINC000301464051 433565626 /nfs/dbraw/zinc/56/56/26/433565626.db2.gz WBYXYTRRXJGTEP-CQSZACIVSA-N 1 1 314.389 3.231 20 5 DGBDMO Cc1cnc(NC[C@H](C)[N@@H+](C)Cc2ccccc2)c([N+](=O)[O-])c1 ZINC000301464050 433566443 /nfs/dbraw/zinc/56/64/43/433566443.db2.gz WBYXYTRRXJGTEP-AWEZNQCLSA-N 1 1 314.389 3.231 20 5 DGBDMO CC[C@@H]1CCCC[N@H+]1CC(=O)Nc1ccc([N+](=O)[O-])cc1C ZINC000301492759 433579558 /nfs/dbraw/zinc/57/95/58/433579558.db2.gz QDKYSRGYYBMGJB-CYBMUJFWSA-N 1 1 305.378 3.106 20 5 DGBDMO O=[N+]([O-])c1ccccc1/C=C/C[N@@H+]1CCC[C@@H](CCO)CC1 ZINC000421399040 433543822 /nfs/dbraw/zinc/54/38/22/433543822.db2.gz PHVHFCNORCGSEU-NFBGWVBBSA-N 1 1 304.390 3.093 20 5 DGBDMO O=[N+]([O-])c1ccc(N[C@@H]2CC[N@@H+](CC3CCCC3)C2)c(F)c1 ZINC000301419944 433545588 /nfs/dbraw/zinc/54/55/88/433545588.db2.gz CISPDUIYKKFKEL-CYBMUJFWSA-N 1 1 307.369 3.410 20 5 DGBDMO C/C(=C/c1cccc([N+](=O)[O-])c1)C[N@H+]1CCC[C@H](CCO)CC1 ZINC000421401160 433548216 /nfs/dbraw/zinc/54/82/16/433548216.db2.gz SZJKALNLPZTISE-IRVMHKCDSA-N 1 1 318.417 3.483 20 5 DGBDMO C[C@H]1C[C@@H](Nc2ncccc2[N+](=O)[O-])C[N@H+]1Cc1ccccc1 ZINC000301611963 433639945 /nfs/dbraw/zinc/63/99/45/433639945.db2.gz FFAWGUWYPNFWIU-DZGCQCFKSA-N 1 1 312.373 3.065 20 5 DGBDMO CC[N@@H+](CCNc1ccc([N+](=O)[O-])c2cccnc12)C1CC1 ZINC000301545945 433604246 /nfs/dbraw/zinc/60/42/46/433604246.db2.gz DQYPZEAWEXDGMY-UHFFFAOYSA-N 1 1 300.362 3.039 20 5 DGBDMO COc1cc(C[N@H+]2CC(C)(C)C[C@@H]2C)c([N+](=O)[O-])cc1OC ZINC000414530037 433696485 /nfs/dbraw/zinc/69/64/85/433696485.db2.gz WNSFJJHTVVHVIL-NSHDSACASA-N 1 1 308.378 3.232 20 5 DGBDMO Cc1ccc([C@@H]2CCCC[N@H+]2Cc2c([N+](=O)[O-])ncn2C)cc1 ZINC000370044203 293151925 /nfs/dbraw/zinc/15/19/25/293151925.db2.gz AAWHCKGLEYPQDO-HNNXBMFYSA-N 1 1 314.389 3.364 20 5 DGBDMO Cc1ccc([C@@H]2CCCC[N@@H+]2Cc2c([N+](=O)[O-])ncn2C)cc1 ZINC000370044203 293151926 /nfs/dbraw/zinc/15/19/26/293151926.db2.gz AAWHCKGLEYPQDO-HNNXBMFYSA-N 1 1 314.389 3.364 20 5 DGBDMO Cc1nnsc1C[NH2+][C@H]1CC(C)(C)c2ccc([N+](=O)[O-])cc21 ZINC000293352093 433708757 /nfs/dbraw/zinc/70/87/57/433708757.db2.gz HAZJCCHHYRJPMH-ZDUSSCGKSA-N 1 1 318.402 3.267 20 5 DGBDMO Cc1nnsc1C[NH2+][C@@H]1CC(C)(C)c2ccc([N+](=O)[O-])cc21 ZINC000293352084 433709301 /nfs/dbraw/zinc/70/93/01/433709301.db2.gz HAZJCCHHYRJPMH-CYBMUJFWSA-N 1 1 318.402 3.267 20 5 DGBDMO CC[N@@H+](CCC(=O)Nc1ccccc1[N+](=O)[O-])C1CCCC1 ZINC000283338109 433709616 /nfs/dbraw/zinc/70/96/16/433709616.db2.gz AUDDQHPLXWJMFC-UHFFFAOYSA-N 1 1 305.378 3.188 20 5 DGBDMO O=[N+]([O-])c1ccc(C[N@@H+](CCO)CC2CCCCC2)c(F)c1 ZINC000362528636 433740470 /nfs/dbraw/zinc/74/04/70/433740470.db2.gz NSFKSVMCZSUCSQ-UHFFFAOYSA-N 1 1 310.369 3.109 20 5 DGBDMO COC[C@@H]1CCCC[N@@H+](Cc2ccc(Cl)c([N+](=O)[O-])c2)C1 ZINC000376367329 433722937 /nfs/dbraw/zinc/72/29/37/433722937.db2.gz KXQBSVOPRNYTIE-CYBMUJFWSA-N 1 1 312.797 3.497 20 5 DGBDMO CC[N@H+]1C[C@@H](C)N(c2ccnc3c2cccc3[N+](=O)[O-])C[C@@H]1C ZINC000432345027 433824114 /nfs/dbraw/zinc/82/41/14/433824114.db2.gz FQOIVLLYQICHPT-QWHCGFSZSA-N 1 1 314.389 3.062 20 5 DGBDMO CCc1ccc([C@H]([NH2+]C[C@H](O)CC)c2ccc([N+](=O)[O-])cc2)o1 ZINC000421880491 433791595 /nfs/dbraw/zinc/79/15/95/433791595.db2.gz QKZFXTPZQQYSKU-RHSMWYFYSA-N 1 1 318.373 3.200 20 5 DGBDMO CCOc1cc(C[N@H+]2CCCO[C@@H](C(C)C)C2)ccc1[N+](=O)[O-] ZINC000339823002 433803194 /nfs/dbraw/zinc/80/31/94/433803194.db2.gz RBCKHNQXQPPFAL-QGZVFWFLSA-N 1 1 322.405 3.240 20 5 DGBDMO C[C@H]1[C@H](Nc2ccnc3c2cccc3[N+](=O)[O-])CCC[N@H+]1C ZINC000432144175 433821247 /nfs/dbraw/zinc/82/12/47/433821247.db2.gz VWGADGWWGIPJFN-WCQYABFASA-N 1 1 300.362 3.038 20 5 DGBDMO O=[N+]([O-])c1ccc(-c2ccc(CNC3CC[NH2+]CC3)s2)cc1 ZINC000414781305 433831333 /nfs/dbraw/zinc/83/13/33/433831333.db2.gz CEYWRADELSOPMC-UHFFFAOYSA-N 1 1 317.414 3.165 20 5 DGBDMO C[C@@H](CCNc1ncccc1[N+](=O)[O-])[N@@H+](C)Cc1ccccc1 ZINC000343884915 433832871 /nfs/dbraw/zinc/83/28/71/433832871.db2.gz PLAYRZOKDONAOH-AWEZNQCLSA-N 1 1 314.389 3.312 20 5 DGBDMO C[C@H](C1CCC1)[N@@H+](C)Cc1nc(-c2cccc([N+](=O)[O-])c2)no1 ZINC000357034828 433834653 /nfs/dbraw/zinc/83/46/53/433834653.db2.gz JKHDFLUOXDGCAW-LLVKDONJSA-N 1 1 316.361 3.265 20 5 DGBDMO C[NH+](C)C(C)(C)CN[C@@H]1CC(C)(C)c2ccc([N+](=O)[O-])cc21 ZINC000433148555 433841137 /nfs/dbraw/zinc/84/11/37/433841137.db2.gz GUZOBTNDTRABNT-OAHLLOKOSA-N 1 1 305.422 3.247 20 5 DGBDMO C[C@@H](N[C@@H]1CC[N@H+](C2CCCC2)C1)c1cccc([N+](=O)[O-])c1 ZINC000362895627 433899571 /nfs/dbraw/zinc/89/95/71/433899571.db2.gz BLVWHPFMOOTGJO-UKRRQHHQSA-N 1 1 303.406 3.262 20 5 DGBDMO C[C@@H]([NH2+][C@@H]1CCN(C2CCCC2)C1)c1cccc([N+](=O)[O-])c1 ZINC000362895627 433899580 /nfs/dbraw/zinc/89/95/80/433899580.db2.gz BLVWHPFMOOTGJO-UKRRQHHQSA-N 1 1 303.406 3.262 20 5 DGBDMO O=[N+]([O-])c1ccc2oc(C[N@H+]3CCC[C@H](C4CC4)C3)nc2c1 ZINC000377525319 433900809 /nfs/dbraw/zinc/90/08/09/433900809.db2.gz OSWYTCDCIVPYAL-LBPRGKRZSA-N 1 1 301.346 3.358 20 5 DGBDMO CCCCC[C@H]1CCC[N@H+]1Cc1ccc(C(N)=O)cc1[N+](=O)[O-] ZINC000362960448 433927975 /nfs/dbraw/zinc/92/79/75/433927975.db2.gz NSJNNWLKMKSSGR-HNNXBMFYSA-N 1 1 319.405 3.238 20 5 DGBDMO CC(C)[C@@]1(CO)CC[N@@H+](Cc2cc([N+](=O)[O-])ccc2Cl)C1 ZINC000377652998 433944567 /nfs/dbraw/zinc/94/45/67/433944567.db2.gz LUBAZGUXQWDLRQ-HNNXBMFYSA-N 1 1 312.797 3.089 20 5 DGBDMO COc1cc(N[C@H]2C[N@@H+](C)Cc3ccccc32)ccc1[N+](=O)[O-] ZINC000363451623 434062511 /nfs/dbraw/zinc/06/25/11/434062511.db2.gz ZTBCRINTRBQVJY-HNNXBMFYSA-N 1 1 313.357 3.202 20 5 DGBDMO CC[C@H]1CC[C@H](C)[N@H+]1CCC(=O)Nc1cc([N+](=O)[O-])ccc1C ZINC000357554885 434074698 /nfs/dbraw/zinc/07/46/98/434074698.db2.gz SXLVYZARHVPLSI-KBPBESRZSA-N 1 1 319.405 3.495 20 5 DGBDMO C[C@H]1[C@H](Nc2cccnc2[N+](=O)[O-])CC[N@H+]1Cc1ccccc1 ZINC000309878557 434100771 /nfs/dbraw/zinc/10/07/71/434100771.db2.gz IVUKESPJGQNSIB-DZGCQCFKSA-N 1 1 312.373 3.065 20 5 DGBDMO Cn1ccnc1[C@@H]([NH2+]C[C@H]1CC1(C)C)c1cccc([N+](=O)[O-])c1 ZINC000353405274 434114508 /nfs/dbraw/zinc/11/45/08/434114508.db2.gz RDWJWSYJQLRVLP-HIFRSBDPSA-N 1 1 314.389 3.053 20 5 DGBDMO CC(C)C[C@@H](C)C[N@H+]1CC[C@@H](Nc2ccc([N+](=O)[O-])cn2)C1 ZINC000499537081 294087690 /nfs/dbraw/zinc/08/76/90/294087690.db2.gz HLJSACTVYVQROX-ZIAGYGMSSA-N 1 1 306.410 3.158 20 5 DGBDMO CC(C)C[C@H]1COCC[N@H+]1CCCOc1ccc([N+](=O)[O-])cc1 ZINC000506239960 294267082 /nfs/dbraw/zinc/26/70/82/294267082.db2.gz GTLFVLZWUAHZEC-INIZCTEOSA-N 1 1 322.405 3.111 20 5 DGBDMO CC[C@H]1CCCC[N@H+]1CCNc1ccc([N+](=O)[O-])cc1COC ZINC000353442396 434137087 /nfs/dbraw/zinc/13/70/87/434137087.db2.gz VHASZYAAGQHTLJ-HNNXBMFYSA-N 1 1 321.421 3.418 20 5 DGBDMO CCOc1ccc([C@@H](C)N[C@@H](C)C[N@@H+](C)C(C)C)cc1[N+](=O)[O-] ZINC000353579892 434245381 /nfs/dbraw/zinc/24/53/81/434245381.db2.gz VYGJJUZZSMQMAT-UONOGXRCSA-N 1 1 323.437 3.373 20 5 DGBDMO CCOc1ccc([C@@H](C)[NH2+][C@@H](C)CN(C)C(C)C)cc1[N+](=O)[O-] ZINC000353579892 434245390 /nfs/dbraw/zinc/24/53/90/434245390.db2.gz VYGJJUZZSMQMAT-UONOGXRCSA-N 1 1 323.437 3.373 20 5 DGBDMO C[C@H]([N@@H+](C)Cc1cc([N+](=O)[O-])ccc1C(F)(F)F)C(C)(C)O ZINC000295190715 434250753 /nfs/dbraw/zinc/25/07/53/434250753.db2.gz QZRCEZAJZNNEJT-VIFPVBQESA-N 1 1 320.311 3.205 20 5 DGBDMO CC[C@H]1CCC[N@@H+]1CC(=O)Nc1ccc(Cl)cc1[N+](=O)[O-] ZINC000340685930 434301452 /nfs/dbraw/zinc/30/14/52/434301452.db2.gz MDRRXQGQQHEXIU-NSHDSACASA-N 1 1 311.769 3.061 20 5 DGBDMO CC[C@H]1CCC[N@H+]1CC(=O)Nc1ccc(Cl)cc1[N+](=O)[O-] ZINC000340685930 434301458 /nfs/dbraw/zinc/30/14/58/434301458.db2.gz MDRRXQGQQHEXIU-NSHDSACASA-N 1 1 311.769 3.061 20 5 DGBDMO CCOc1cccc(NC[C@@H]2CC[N@H+](C(C)C)C2)c1[N+](=O)[O-] ZINC000388990248 434340996 /nfs/dbraw/zinc/34/09/96/434340996.db2.gz PFQCLDKDMPQAPQ-ZDUSSCGKSA-N 1 1 307.394 3.136 20 5 DGBDMO CCn1ccc(C[NH2+][C@H]2CCCCc3ccc([N+](=O)[O-])cc32)n1 ZINC000417328507 434359652 /nfs/dbraw/zinc/35/96/52/434359652.db2.gz CFMOOOMERMPJLG-KRWDZBQOSA-N 1 1 314.389 3.369 20 5 DGBDMO Cc1cc(N2CCC[C@@H](c3ccc([N+](=O)[O-])cc3)C2)nc(C)[nH+]1 ZINC000450771546 434399864 /nfs/dbraw/zinc/39/98/64/434399864.db2.gz YUHMIVQWBDTAPV-OAHLLOKOSA-N 1 1 312.373 3.386 20 5 DGBDMO COc1ccccc1C[N@@H+](C)CCc1ccccc1[N+](=O)[O-] ZINC000348670254 434438905 /nfs/dbraw/zinc/43/89/05/434438905.db2.gz ILMBLIVEGIJBIE-UHFFFAOYSA-N 1 1 300.358 3.278 20 5 DGBDMO O=[N+]([O-])c1cc(Cl)ccc1C[N@H+]1CC[C@H]([C@H]2CCOC2)C1 ZINC000366651111 434477445 /nfs/dbraw/zinc/47/74/45/434477445.db2.gz HJKWSXPITGAAIA-AAEUAGOBSA-N 1 1 310.781 3.107 20 5 DGBDMO CO[C@@H]1CC[N@@H+](Cc2ccc(-c3ccc([N+](=O)[O-])cc3)o2)C1 ZINC000353881695 434497594 /nfs/dbraw/zinc/49/75/94/434497594.db2.gz MFDYEDKIGNULGE-CQSZACIVSA-N 1 1 302.330 3.076 20 5 DGBDMO C[N@H+]1Cc2ccccc2[C@@H](Nc2cccc(F)c2[N+](=O)[O-])C1 ZINC000366758399 434502892 /nfs/dbraw/zinc/50/28/92/434502892.db2.gz KFPDQIZDWPSVBF-HNNXBMFYSA-N 1 1 301.321 3.333 20 5 DGBDMO C[N@@H+]1Cc2ccccc2[C@@H](Nc2cccc(F)c2[N+](=O)[O-])C1 ZINC000366758399 434502898 /nfs/dbraw/zinc/50/28/98/434502898.db2.gz KFPDQIZDWPSVBF-HNNXBMFYSA-N 1 1 301.321 3.333 20 5 DGBDMO CC(C)Cc1ccc([C@@H](C)[NH2+]Cc2c([N+](=O)[O-])ncn2C)cc1 ZINC000341048067 434508967 /nfs/dbraw/zinc/50/89/67/434508967.db2.gz CCXORQGGPVSYDK-CYBMUJFWSA-N 1 1 316.405 3.378 20 5 DGBDMO Cc1cc(C[N@H+](Cc2ccc([N+](=O)[O-])cc2)C(C)C)n(C)n1 ZINC000417726686 434510874 /nfs/dbraw/zinc/51/08/74/434510874.db2.gz NCDOZPWOMWQDPD-UHFFFAOYSA-N 1 1 302.378 3.047 20 5 DGBDMO Cc1cc(C[N@@H+](Cc2ccc([N+](=O)[O-])cc2)C(C)C)n(C)n1 ZINC000417726686 434510883 /nfs/dbraw/zinc/51/08/83/434510883.db2.gz NCDOZPWOMWQDPD-UHFFFAOYSA-N 1 1 302.378 3.047 20 5 DGBDMO O=[N+]([O-])c1ccc(Cl)c(C[N@H+]2CC[C@H](C3CCOCC3)C2)c1 ZINC000366853419 434523192 /nfs/dbraw/zinc/52/31/92/434523192.db2.gz PETFFJOVJWVOIR-ZDUSSCGKSA-N 1 1 324.808 3.497 20 5 DGBDMO C[C@H]1Cc2ccccc2C[N@H+]1CCOc1ccccc1[N+](=O)[O-] ZINC000525637839 295023098 /nfs/dbraw/zinc/02/30/98/295023098.db2.gz HCJACBXTXDLTED-AWEZNQCLSA-N 1 1 312.369 3.420 20 5 DGBDMO C[C@H]1CC[N@@H+](CCC(=O)Nc2ccc([N+](=O)[O-])cc2)CC1(C)C ZINC000354012785 434573954 /nfs/dbraw/zinc/57/39/54/434573954.db2.gz AVHOREODRFJFML-ZDUSSCGKSA-N 1 1 319.405 3.291 20 5 DGBDMO COc1ccc(C[N@H+]2CCSC[C@@H]2C2CCC2)cc1[N+](=O)[O-] ZINC000418130731 434595823 /nfs/dbraw/zinc/59/58/23/434595823.db2.gz VIGKHGPTSJZTJO-OAHLLOKOSA-N 1 1 322.430 3.321 20 5 DGBDMO COc1ccc(C[N@H+]2CCSC[C@H]2C2CCC2)cc1[N+](=O)[O-] ZINC000418130729 434596065 /nfs/dbraw/zinc/59/60/65/434596065.db2.gz VIGKHGPTSJZTJO-HNNXBMFYSA-N 1 1 322.430 3.321 20 5 DGBDMO C[C@@H](Nc1[nH+]c2cccc(F)c2n1C)c1ccccc1[N+](=O)[O-] ZINC000409722334 434619323 /nfs/dbraw/zinc/61/93/23/434619323.db2.gz OKEIAJVHMFPWAY-SNVBAGLBSA-N 1 1 314.320 3.794 20 5 DGBDMO CCC1(CC)C[NH+](Cc2cc(OC)c(OC)cc2[N+](=O)[O-])C1 ZINC000459591664 434623500 /nfs/dbraw/zinc/62/35/00/434623500.db2.gz GRXYICMZJPSFFV-UHFFFAOYSA-N 1 1 308.378 3.234 20 5 DGBDMO C[C@H](C(=O)Nc1ccc([N+](=O)[O-])cc1)[N@H+]1CCCC[C@H](C)C1 ZINC000360621604 434651965 /nfs/dbraw/zinc/65/19/65/434651965.db2.gz TZHYWJRXHNABSG-QWHCGFSZSA-N 1 1 305.378 3.044 20 5 DGBDMO CCOC[C@@H]1CCCC[N@H+]1Cc1ccc([N+](=O)[O-])c(OCC)c1 ZINC000459723964 434677097 /nfs/dbraw/zinc/67/70/97/434677097.db2.gz VXIFPDGWVWYQMB-HNNXBMFYSA-N 1 1 322.405 3.385 20 5 DGBDMO CCn1c(C)nc([N+](=O)[O-])c1NCC(C)(C)[N@H+]1CCC[C@@H](C)C1 ZINC000360961679 434745120 /nfs/dbraw/zinc/74/51/20/434745120.db2.gz STTBYTTZEDDDJN-GFCCVEGCSA-N 1 1 323.441 3.042 20 5 DGBDMO C[C@H](C[N@@H+](C)Cc1cccc([N+](=O)[O-])c1)C(=O)OC(C)(C)C ZINC000459765932 434706480 /nfs/dbraw/zinc/70/64/80/434706480.db2.gz JONFSJOAFSEPIF-GFCCVEGCSA-N 1 1 308.378 3.004 20 5 DGBDMO COc1ccc([N+](=O)[O-])cc1OCC[N@@H+](C)Cc1ccccc1 ZINC000418799848 434718250 /nfs/dbraw/zinc/71/82/50/434718250.db2.gz BLELUZRJZWLLOQ-UHFFFAOYSA-N 1 1 316.357 3.114 20 5 DGBDMO COc1cc([N+](=O)[O-])ccc1C[N@@H+]1CC(C)(C)O[C@@H]2CCC[C@H]21 ZINC000440954370 434757095 /nfs/dbraw/zinc/75/70/95/434757095.db2.gz GCYPPYAWQMZWSB-HUUCEWRRSA-N 1 1 320.389 3.135 20 5 DGBDMO COc1cc([N+](=O)[O-])ccc1C[N@H+]1CC(C)(C)O[C@@H]2CCC[C@H]21 ZINC000440954370 434757100 /nfs/dbraw/zinc/75/71/00/434757100.db2.gz GCYPPYAWQMZWSB-HUUCEWRRSA-N 1 1 320.389 3.135 20 5 DGBDMO CC(=O)c1ccc([N+](=O)[O-])cc1N(C)CC[C@@H]1CCCC[N@H+]1C ZINC000360994261 434757865 /nfs/dbraw/zinc/75/78/65/434757865.db2.gz ICJKOLPQWIIKQC-AWEZNQCLSA-N 1 1 319.405 3.108 20 5 DGBDMO CC[C@H]1C[C@H](C)C[N@H+]1CCC(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000411306876 434760870 /nfs/dbraw/zinc/76/08/70/434760870.db2.gz WUANUWZGAQNLKI-JSGCOSHPSA-N 1 1 305.378 3.044 20 5 DGBDMO CC(C)c1ccc(CN2C[C@H](C)[N@@H+](C)C[C@H]2C)cc1[N+](=O)[O-] ZINC000361155386 434815227 /nfs/dbraw/zinc/81/52/27/434815227.db2.gz PHUNHDHMHMHHOK-UONOGXRCSA-N 1 1 305.422 3.243 20 5 DGBDMO CCOc1cccc(N2CCC3(CCC[N@H+]3C)CC2)c1[N+](=O)[O-] ZINC000372601435 434842506 /nfs/dbraw/zinc/84/25/06/434842506.db2.gz SIBAJAVAJNPOKL-UHFFFAOYSA-N 1 1 319.405 3.058 20 5 DGBDMO C[C@@H](C(=O)Nc1cccc([N+](=O)[O-])c1)[N@H+]1CC(C)(C)C[C@H]1C ZINC000412042008 434860042 /nfs/dbraw/zinc/86/00/42/434860042.db2.gz MARULWYTVBMSLS-NEPJUHHUSA-N 1 1 305.378 3.042 20 5 DGBDMO Cc1cc(NC[C@H]2CC[N@H+](CC(C)C)C2)c(F)cc1[N+](=O)[O-] ZINC000461959520 434894582 /nfs/dbraw/zinc/89/45/82/434894582.db2.gz SXXPFZDRUASPIA-CYBMUJFWSA-N 1 1 309.385 3.432 20 5 DGBDMO C[NH+](C)C1(CN[C@H]2CCc3c2cccc3[N+](=O)[O-])CCCC1 ZINC000573459267 434901578 /nfs/dbraw/zinc/90/15/78/434901578.db2.gz YKQONHJMOFQIEZ-HNNXBMFYSA-N 1 1 303.406 3.046 20 5 DGBDMO CCO[C@@H]1C[C@@H]([N@@H+](C)CCOc2ccccc2[N+](=O)[O-])C1(C)C ZINC000524893398 434995524 /nfs/dbraw/zinc/99/55/24/434995524.db2.gz QOZIWFMBITZPTO-HZPDHXFCSA-N 1 1 322.405 3.109 20 5 DGBDMO O=[N+]([O-])c1cccc(OCC[N@H+]2CCC[C@H]2c2ccccn2)c1 ZINC000530962798 435063487 /nfs/dbraw/zinc/06/34/87/435063487.db2.gz YAWMEQVCHSRDLL-KRWDZBQOSA-N 1 1 313.357 3.206 20 5 DGBDMO CCC[C@@H]1CCC[N@@H+](CC(=O)Nc2cc([N+](=O)[O-])ccc2C)C1 ZINC000466491703 435080284 /nfs/dbraw/zinc/08/02/84/435080284.db2.gz XTFVQCKFWKCSBS-CQSZACIVSA-N 1 1 319.405 3.354 20 5 DGBDMO CC(C)C[C@@H]1CC[N@H+]([C@@H](C)C(=O)Nc2ccc([N+](=O)[O-])cc2)C1 ZINC000467169884 435111332 /nfs/dbraw/zinc/11/13/32/435111332.db2.gz FCKSHGRTVFPNAB-KBPBESRZSA-N 1 1 319.405 3.290 20 5 DGBDMO C[C@H](C[NH+]1CCC(C)CC1)N[C@H](C)c1ccc([N+](=O)[O-])cc1 ZINC000579375327 435149914 /nfs/dbraw/zinc/14/99/14/435149914.db2.gz FJPGRLYUZMFAGS-HUUCEWRRSA-N 1 1 305.422 3.366 20 5 DGBDMO CC(C)[C@@H]1C[N@H+](Cc2ccc(Cl)cc2[N+](=O)[O-])CCCO1 ZINC000559497540 435132757 /nfs/dbraw/zinc/13/27/57/435132757.db2.gz NGAFLZIPXAZEEG-HNNXBMFYSA-N 1 1 312.797 3.495 20 5 DGBDMO CC(C)[C@@H]1C[N@@H+](Cc2ccc(Cl)cc2[N+](=O)[O-])CCCO1 ZINC000559497540 435132761 /nfs/dbraw/zinc/13/27/61/435132761.db2.gz NGAFLZIPXAZEEG-HNNXBMFYSA-N 1 1 312.797 3.495 20 5 DGBDMO C/C(=C\c1cccc([N+](=O)[O-])c1)CN1C[C@@H](C)[N@@H+](C)[C@@H](C)C1 ZINC000560608564 435184293 /nfs/dbraw/zinc/18/42/93/435184293.db2.gz RTDIEXGKILQJKV-JQDFIBCJSA-N 1 1 303.406 3.023 20 5 DGBDMO C/C(=C\c1cccc([N+](=O)[O-])c1)C[N@@H+]1C[C@@H](C)N(C)[C@@H](C)C1 ZINC000560608564 435184296 /nfs/dbraw/zinc/18/42/96/435184296.db2.gz RTDIEXGKILQJKV-JQDFIBCJSA-N 1 1 303.406 3.023 20 5 DGBDMO C/C(=C\c1cccc([N+](=O)[O-])c1)C[N@H+]1C[C@@H](C)N(C)[C@@H](C)C1 ZINC000560608564 435184298 /nfs/dbraw/zinc/18/42/98/435184298.db2.gz RTDIEXGKILQJKV-JQDFIBCJSA-N 1 1 303.406 3.023 20 5 DGBDMO CC[N@H+]1CCN(c2ccc([N+](=O)[O-])c(OC(C)(C)C)c2)[C@H](C)C1 ZINC000561359196 435213931 /nfs/dbraw/zinc/21/39/31/435213931.db2.gz WBUMGHQDTOQDBR-CYBMUJFWSA-N 1 1 321.421 3.303 20 5 DGBDMO C[N@H+]1Cc2ccccc2[C@H](Nc2ccc([N+](=O)[O-])cc2F)C1 ZINC000534531043 435291379 /nfs/dbraw/zinc/29/13/79/435291379.db2.gz WDJBPDUNKXRDAQ-MRXNPFEDSA-N 1 1 301.321 3.333 20 5 DGBDMO C[N@@H+]1Cc2ccccc2[C@H](Nc2ccc([N+](=O)[O-])cc2F)C1 ZINC000534531043 435291385 /nfs/dbraw/zinc/29/13/85/435291385.db2.gz WDJBPDUNKXRDAQ-MRXNPFEDSA-N 1 1 301.321 3.333 20 5 DGBDMO CCC(=O)c1ccc(N[C@@H]2C[C@H](C)[N@H+](C3CC3)C2)c([N+](=O)[O-])c1 ZINC000480043024 435363279 /nfs/dbraw/zinc/36/32/79/435363279.db2.gz JWIYLGUIBRJQKJ-WCQYABFASA-N 1 1 317.389 3.225 20 5 DGBDMO C[C@@H]1C[C@@H](C)[N@@H+](Cc2cc([N+](=O)[O-])ccc2OC(F)F)C1 ZINC000536661691 435399166 /nfs/dbraw/zinc/39/91/66/435399166.db2.gz CHKHWZLIBYVXMZ-NXEZZACHSA-N 1 1 300.305 3.427 20 5 DGBDMO O=[N+]([O-])c1ccc(OC(F)F)c(C[N@H+]2CC[C@H](C3CC3)C2)c1 ZINC000537649314 435460525 /nfs/dbraw/zinc/46/05/25/435460525.db2.gz ZMBCHOLKFWMAPM-NSHDSACASA-N 1 1 312.316 3.428 20 5 DGBDMO Cc1ccc([N+](=O)[O-])cc1[C@@H](C)[NH2+]C1CCN(C(C)C)CC1 ZINC000537972715 435478869 /nfs/dbraw/zinc/47/88/69/435478869.db2.gz YPWCRSZIWIWJPC-CQSZACIVSA-N 1 1 305.422 3.427 20 5 DGBDMO C[C@H](C[NH+]1CCC(C)CC1)N[C@H](C)c1cccc([N+](=O)[O-])c1 ZINC000514616143 435425303 /nfs/dbraw/zinc/42/53/03/435425303.db2.gz KNQWYAYFQKKGAG-HUUCEWRRSA-N 1 1 305.422 3.366 20 5 DGBDMO CC[C@H](C[N@@H+](CC)CCn1cc([N+](=O)[O-])cn1)c1ccccc1 ZINC000481682891 435438176 /nfs/dbraw/zinc/43/81/76/435438176.db2.gz BGTWQYPVWVVPKM-OAHLLOKOSA-N 1 1 316.405 3.307 20 5 DGBDMO CC1(C)C[N@@H+](CCOc2ccccc2[N+](=O)[O-])[C@@H]2CCC[C@@H]21 ZINC000569108701 435503812 /nfs/dbraw/zinc/50/38/12/435503812.db2.gz PUMDCQNTDOUXAB-UONOGXRCSA-N 1 1 304.390 3.484 20 5 DGBDMO C[C@@H]1C[C@@H](C)[N@@H+](Cc2cn(C)nc2-c2ccc([N+](=O)[O-])cc2)C1 ZINC000538717487 435515353 /nfs/dbraw/zinc/51/53/53/435515353.db2.gz FBRLCSDFIZNIRO-CHWSQXEVSA-N 1 1 314.389 3.226 20 5 DGBDMO O=[N+]([O-])c1cccc2c1CC[C@H]2N[C@@H]1CC[N@H+](C2CCCC2)C1 ZINC000569258347 435518946 /nfs/dbraw/zinc/51/89/46/435518946.db2.gz CNKFLMQEKMFLJT-CXAGYDPISA-N 1 1 315.417 3.189 20 5 DGBDMO O=[N+]([O-])c1cccc2c1CC[C@H]2[NH2+][C@@H]1CCN(C2CCCC2)C1 ZINC000569258347 435518947 /nfs/dbraw/zinc/51/89/47/435518947.db2.gz CNKFLMQEKMFLJT-CXAGYDPISA-N 1 1 315.417 3.189 20 5 DGBDMO CCC[N@@H+](CC(=O)Nc1ccc([N+](=O)[O-])cc1Cl)C(C)C ZINC000569470143 435537094 /nfs/dbraw/zinc/53/70/94/435537094.db2.gz IFWLVTQOXKBGCC-UHFFFAOYSA-N 1 1 313.785 3.307 20 5 DGBDMO Cc1ccc([C@@H](C)[NH2+]CC[C@@H]2CCCC[N@@H+]2C)cc1[N+](=O)[O-] ZINC000538278051 435489529 /nfs/dbraw/zinc/48/95/29/435489529.db2.gz JGEWMASVDSHLAB-ZBFHGGJFSA-N 1 1 305.422 3.428 20 5 DGBDMO Cc1ccc([N+](=O)[O-])cc1NC(=O)C[N@H+](C)[C@@H]1CCC(C)(C)C1 ZINC000483097893 435492848 /nfs/dbraw/zinc/49/28/48/435492848.db2.gz AEMGVELYVMPDAM-CQSZACIVSA-N 1 1 319.405 3.352 20 5 DGBDMO CCC[C@H](C)[C@@H]1CCC[N@H+]1CC(=O)Nc1ccccc1[N+](=O)[O-] ZINC000486803751 435615564 /nfs/dbraw/zinc/61/55/64/435615564.db2.gz SVSPMJSNJRJUBJ-ZFWWWQNUSA-N 1 1 319.405 3.434 20 5 DGBDMO C[C@@H]1Cc2ccccc2C[N@H+]1CCOc1ccc([N+](=O)[O-])cc1 ZINC000518022047 435623531 /nfs/dbraw/zinc/62/35/31/435623531.db2.gz GTHVJQOIFYZGIW-CQSZACIVSA-N 1 1 312.369 3.420 20 5 DGBDMO Cc1ccc([N+](=O)[O-])c(N2CC[N@H+]([C@@H]3C[C@H]3C)C[C@H](C)C2)c1 ZINC000488727931 435642821 /nfs/dbraw/zinc/64/28/21/435642821.db2.gz DYJFLSXIJFPDEZ-SQWLQELKSA-N 1 1 303.406 3.070 20 5 DGBDMO CCOc1cccc(N[C@@H]2C[C@H](C)[N@H+](C3CC3)C2)c1[N+](=O)[O-] ZINC000571218328 435689205 /nfs/dbraw/zinc/68/92/05/435689205.db2.gz NFXDHOHPHLUWMK-NWDGAFQWSA-N 1 1 305.378 3.031 20 5 DGBDMO C[C@H]1CN(c2ccc(Cl)cc2[N+](=O)[O-])CC[N@H+](C2CC2)C1 ZINC000450542506 300297121 /nfs/dbraw/zinc/29/71/21/300297121.db2.gz HSALZNFSXFSBJC-LLVKDONJSA-N 1 1 309.797 3.169 20 5 DGBDMO Cc1cccc(N2CC[N@H+]([C@@H]3C[C@@H]3C)C[C@H](C)C2)c1[N+](=O)[O-] ZINC000549199746 435747245 /nfs/dbraw/zinc/74/72/45/435747245.db2.gz KUJFJYBVSYLMOV-IVMMDQJWSA-N 1 1 303.406 3.070 20 5 DGBDMO CCOc1ncccc1C[NH2+][C@@H]1CCc2c1cccc2[N+](=O)[O-] ZINC000520609756 435760334 /nfs/dbraw/zinc/76/03/34/435760334.db2.gz LDSQNGSGQMTJJN-OAHLLOKOSA-N 1 1 313.357 3.166 20 5 DGBDMO C[C@H](CN[C@@H]1CCc2c1cccc2[N+](=O)[O-])[NH+]1CCC(C)CC1 ZINC000571536370 435714356 /nfs/dbraw/zinc/71/43/56/435714356.db2.gz FXQHLJNWSCOADV-RHSMWYFYSA-N 1 1 317.433 3.292 20 5 DGBDMO Cn1cc[nH+]c1[C@H]1CCCN(c2cc(Cl)ccc2[N+](=O)[O-])C1 ZINC000376487991 312954724 /nfs/dbraw/zinc/95/47/24/312954724.db2.gz YCMSBYPENUUFMT-NSHDSACASA-N 1 1 320.780 3.366 20 5 DGBDMO O=[N+]([O-])c1ccccc1/C=C/C[N@H+]1CC[C@@H](C2CCOCC2)C1 ZINC000377251228 313034033 /nfs/dbraw/zinc/03/40/33/313034033.db2.gz PMZDUMOUVZCRLA-NJELEJDNSA-N 1 1 316.401 3.357 20 5 DGBDMO O=[N+]([O-])c1cccc2c1CC[N@H+](CCc1cccc(F)c1F)C2 ZINC000541335838 314009494 /nfs/dbraw/zinc/00/94/94/314009494.db2.gz MXCPKZKRPVTGTQ-UHFFFAOYSA-N 1 1 318.323 3.474 20 5 DGBDMO O=[N+]([O-])c1cccc2c1CC[N@@H+](CCc1cccc(F)c1F)C2 ZINC000541335838 314009496 /nfs/dbraw/zinc/00/94/96/314009496.db2.gz MXCPKZKRPVTGTQ-UHFFFAOYSA-N 1 1 318.323 3.474 20 5 DGBDMO C[C@H](C(=O)Nc1ccc([N+](=O)[O-])cc1)[N@H+]1CC[C@@H](C(C)(C)C)C1 ZINC000544188348 314179270 /nfs/dbraw/zinc/17/92/70/314179270.db2.gz YRIFKYCPKAHWLF-CHWSQXEVSA-N 1 1 319.405 3.290 20 5 DGBDMO C[C@H](C(=O)Nc1ccc([N+](=O)[O-])cc1)[N@H+]1CC[C@H](C(C)(C)C)C1 ZINC000544188349 314179576 /nfs/dbraw/zinc/17/95/76/314179576.db2.gz YRIFKYCPKAHWLF-OLZOCXBDSA-N 1 1 319.405 3.290 20 5 DGBDMO CCC(CC)[N@@H+](CC)CC(=O)Nc1ccc([N+](=O)[O-])cc1C ZINC000563998878 315152023 /nfs/dbraw/zinc/15/20/23/315152023.db2.gz NRFOPUREXVBHJG-UHFFFAOYSA-N 1 1 307.394 3.352 20 5 DGBDMO COc1ccc(C[N@@H+](C)CCc2cccc([N+](=O)[O-])c2)cc1F ZINC000576523367 316139644 /nfs/dbraw/zinc/13/96/44/316139644.db2.gz HNSHUBIQCFELHO-UHFFFAOYSA-N 1 1 318.348 3.417 20 5 DGBDMO CC(C)(O)C[N@@H+](Cc1ccccc1)Cc1ccccc1[N+](=O)[O-] ZINC000181150190 323247681 /nfs/dbraw/zinc/24/76/81/323247681.db2.gz UDBCEIAUKIXLIS-UHFFFAOYSA-N 1 1 314.385 3.368 20 5 DGBDMO CC(C)[N@@H+](CCCn1ccnc1)Cc1ccc([N+](=O)[O-])cc1 ZINC000182700141 323309020 /nfs/dbraw/zinc/30/90/20/323309020.db2.gz MTYFGDUSEPXLBJ-UHFFFAOYSA-N 1 1 302.378 3.092 20 5 DGBDMO CC(C)[N@@H+](C)CC1CCN(c2c(F)cccc2[N+](=O)[O-])CC1 ZINC000580589999 324017054 /nfs/dbraw/zinc/01/70/54/324017054.db2.gz SNQWICAONRWSGR-UHFFFAOYSA-N 1 1 309.385 3.291 20 5 DGBDMO CSC[C@H]1CCC[N@@H+](CCOc2cccc([N+](=O)[O-])c2)C1 ZINC000292457755 533807021 /nfs/dbraw/zinc/80/70/21/533807021.db2.gz QBXMNDZLXJFKOW-ZDUSSCGKSA-N 1 1 310.419 3.049 20 5 DGBDMO Cc1c(C[N@@H+]2CCCCC[C@@H]2C[C@@H](C)O)cccc1[N+](=O)[O-] ZINC000318457801 533842569 /nfs/dbraw/zinc/84/25/69/533842569.db2.gz QLYFYYSZPUIVMA-CZUORRHYSA-N 1 1 306.406 3.419 20 5 DGBDMO C[C@@H]1C[C@H](Nc2ccnc3c2cccc3[N+](=O)[O-])C[N@H+]1C1CC1 ZINC000432320654 533970804 /nfs/dbraw/zinc/97/08/04/533970804.db2.gz ALSIVSJIPFKHST-NEPJUHHUSA-N 1 1 312.373 3.180 20 5 DGBDMO C[C@H]1Cc2[nH+]cn(Cc3ccc([N+](=O)[O-])c(F)c3)c2C[C@@H]1C ZINC000295672063 534117105 /nfs/dbraw/zinc/11/71/05/534117105.db2.gz BJZQXOFKCKVPGD-QWRGUYRKSA-N 1 1 303.337 3.350 20 5 DGBDMO O=[N+]([O-])c1ccc(-c2ccc(C[N@@H+]3CCC[C@H](CO)C3)o2)cc1 ZINC000154609242 534881213 /nfs/dbraw/zinc/88/12/13/534881213.db2.gz IDJXDILHXMNEIY-ZDUSSCGKSA-N 1 1 316.357 3.059 20 5 DGBDMO O=[N+]([O-])c1ccccc1CNC[C@H]1CCC[N@H+]1C1CCCCC1 ZINC000435726079 534887341 /nfs/dbraw/zinc/88/73/41/534887341.db2.gz LNZYMSLATSCAMJ-QGZVFWFLSA-N 1 1 317.433 3.482 20 5 DGBDMO O=[N+]([O-])c1ccc(N[C@@H]2CC[N@H+]3CCC[C@H]3C2)c2ncccc12 ZINC000322725262 534882646 /nfs/dbraw/zinc/88/26/46/534882646.db2.gz RYSHNCULIGFMBU-OLZOCXBDSA-N 1 1 312.373 3.182 20 5 DGBDMO CCC[C@@H]1CCC[N@@H+](Cc2nc3cc([N+](=O)[O-])ccc3[nH]2)C1 ZINC000444635493 527749968 /nfs/dbraw/zinc/74/99/68/527749968.db2.gz DGFZEVJEBFXZDI-GFCCVEGCSA-N 1 1 302.378 3.483 20 5 DGBDMO CCC[C@@]1(CO)CCC[N@H+]1Cc1c(Cl)cccc1[N+](=O)[O-] ZINC000444784275 527946993 /nfs/dbraw/zinc/94/69/93/527946993.db2.gz NOMYAAXSPGVFMK-HNNXBMFYSA-N 1 1 312.797 3.375 20 5 DGBDMO CC(C)[C@]1(CO)CCC[N@H+]([C@@H](C)c2ccccc2[N+](=O)[O-])C1 ZINC000292966103 527992765 /nfs/dbraw/zinc/99/27/65/527992765.db2.gz GDAYVSXCZOQASA-WMLDXEAASA-N 1 1 306.406 3.386 20 5 DGBDMO CCCC[N@@H+](C)CCNc1ncc([N+](=O)[O-])cc1C(F)(F)F ZINC000413131087 528349035 /nfs/dbraw/zinc/34/90/35/528349035.db2.gz DSZGTKYLDZHDHM-UHFFFAOYSA-N 1 1 320.315 3.152 20 5 DGBDMO CCC[C@]1(CO)CCC[N@H+]1Cc1ccc([N+](=O)[O-])cc1Cl ZINC000444764265 528516527 /nfs/dbraw/zinc/51/65/27/528516527.db2.gz GDRGHBFDEGSUIA-OAHLLOKOSA-N 1 1 312.797 3.375 20 5 DGBDMO CC[N@@H+](Cc1cc([N+](=O)[O-])ccc1C(F)(F)F)CC(C)(C)O ZINC000293080876 528768673 /nfs/dbraw/zinc/76/86/73/528768673.db2.gz MMLRLMCMCPVCPT-UHFFFAOYSA-N 1 1 320.311 3.206 20 5 DGBDMO CC(C)[C@@H]1[N@@H+](CCC(=O)Nc2ccccc2[N+](=O)[O-])CC1(C)C ZINC000431118943 528811340 /nfs/dbraw/zinc/81/13/40/528811340.db2.gz PDRJQQIRTLAQPM-INIZCTEOSA-N 1 1 319.405 3.290 20 5 DGBDMO CC(C)[N@@H+](C)CCCNc1ccc([N+](=O)[O-])c2cccnc12 ZINC000319001964 528819292 /nfs/dbraw/zinc/81/92/92/528819292.db2.gz PZRWVGZVBAZYJS-UHFFFAOYSA-N 1 1 302.378 3.285 20 5 DGBDMO CC(C)[N@@H+](C)C[C@H](C)Nc1ccc([N+](=O)[O-])c2cnccc12 ZINC000320433770 528833332 /nfs/dbraw/zinc/83/33/32/528833332.db2.gz VPGARTCLMGLMDV-LBPRGKRZSA-N 1 1 302.378 3.284 20 5 DGBDMO CC[C@H]1CC[N@H+]1CCc1ncc(-c2cccc([N+](=O)[O-])c2)o1 ZINC000292566290 529244768 /nfs/dbraw/zinc/24/47/68/529244768.db2.gz ZQNCDJAESREEOK-ZDUSSCGKSA-N 1 1 301.346 3.277 20 5 DGBDMO CCCCC[N@@H+](CCO)C/C(C)=C\c1cccc([N+](=O)[O-])c1 ZINC000470175478 535041549 /nfs/dbraw/zinc/04/15/49/535041549.db2.gz QQPIDBVLMBTGKK-QINSGFPZSA-N 1 1 306.406 3.483 20 5 DGBDMO CCCC[N@@H+](C)CCNc1nc2ccc([N+](=O)[O-])cc2s1 ZINC000732806141 574583686 /nfs/dbraw/zinc/58/36/86/574583686.db2.gz WRLRIFSKVAKDDM-UHFFFAOYSA-N 1 1 308.407 3.348 20 5 DGBDMO C[C@@H](C(=O)OCc1c(F)cccc1[N+](=O)[O-])[NH+]1CCCCCC1 ZINC000741028764 574949488 /nfs/dbraw/zinc/94/94/88/574949488.db2.gz IDSYHSDDEMJTBE-LBPRGKRZSA-N 1 1 324.352 3.042 20 5 DGBDMO C[C@H]1CCC[N@H+]1CCNc1ccc2ncccc2c1[N+](=O)[O-] ZINC000742425130 574999204 /nfs/dbraw/zinc/99/92/04/574999204.db2.gz KVAYYDKUGRLYQJ-LBPRGKRZSA-N 1 1 300.362 3.039 20 5 DGBDMO C[N@@H+](Cn1cc(-c2ccc([N+](=O)[O-])cc2)cn1)C1CCCC1 ZINC000728897175 575192424 /nfs/dbraw/zinc/19/24/24/575192424.db2.gz KQEZCOWBBRXVPT-UHFFFAOYSA-N 1 1 300.362 3.290 20 5 DGBDMO C[C@H]1C[N@@H+](C[C@@H](O)c2cccc([N+](=O)[O-])c2)Cc2ccccc21 ZINC000750037886 575699347 /nfs/dbraw/zinc/69/93/47/575699347.db2.gz SIQFMDRDPJJJNT-SCLBCKFNSA-N 1 1 312.369 3.248 20 5 DGBDMO CC(C)[C@H]1CCC[N@@H+](C[C@H](O)c2cccc([N+](=O)[O-])c2)CC1 ZINC000750075563 575702253 /nfs/dbraw/zinc/70/22/53/575702253.db2.gz KQCIRMJIJVIXLF-YOEHRIQHSA-N 1 1 306.406 3.386 20 5 DGBDMO CC[C@H]1CCC[N@@H+](Cn2ncc3cc([N+](=O)[O-])ccc32)CC1 ZINC000738253942 576015705 /nfs/dbraw/zinc/01/57/05/576015705.db2.gz JHEYPNAQWKCYBV-ZDUSSCGKSA-N 1 1 302.378 3.414 20 5 DGBDMO O=[N+]([O-])c1cccc([C@@H](O)C[N@H+]2CCC[C@H](C3CCC3)C2)c1 ZINC000852673370 620639507 /nfs/dbraw/zinc/63/95/07/620639507.db2.gz HVIFCUIZYOQOAT-RDJZCZTQSA-N 1 1 304.390 3.140 20 5 DGBDMO C[N@@H+](CCC(=O)Nc1cc([N+](=O)[O-])ccc1F)C[C@@H]1CC1(C)C ZINC000852771285 620647130 /nfs/dbraw/zinc/64/71/30/620647130.db2.gz DCSBQKPGIWLWNM-NSHDSACASA-N 1 1 323.368 3.040 20 5 DGBDMO CCc1[nH+]ccn1Cc1cc([N+](=O)[O-])ccc1Br ZINC000917364769 620666203 /nfs/dbraw/zinc/66/62/03/620666203.db2.gz ZFDNCPJWRCHSQR-UHFFFAOYSA-N 1 1 310.151 3.165 20 5 DGBDMO COc1cc(N2CCC[C@H](c3[nH]cc[nH+]3)C2)c([N+](=O)[O-])cc1C ZINC000853260734 620683021 /nfs/dbraw/zinc/68/30/21/620683021.db2.gz GEOWVUMOINSRHX-LBPRGKRZSA-N 1 1 316.361 3.019 20 5 DGBDMO Cc1cc(N2CCC[C@@H](c3[nH+]ccn3C)C2)c([N+](=O)[O-])s1 ZINC000853541414 620708437 /nfs/dbraw/zinc/70/84/37/620708437.db2.gz QGCDYDGZZQXSRG-LLVKDONJSA-N 1 1 306.391 3.082 20 5 DGBDMO O=[N+]([O-])c1ccc(-c2noc([C@@H]3CC[N@@H+]3C3CCCC3)n2)cc1 ZINC000923760987 620739201 /nfs/dbraw/zinc/73/92/01/620739201.db2.gz NVWANQOXCRVVFD-AWEZNQCLSA-N 1 1 314.345 3.334 20 5 DGBDMO O=[N+]([O-])c1ccc(-c2noc([C@@H]3CC[N@H+]3C3CCCC3)n2)cc1 ZINC000923760987 620739206 /nfs/dbraw/zinc/73/92/06/620739206.db2.gz NVWANQOXCRVVFD-AWEZNQCLSA-N 1 1 314.345 3.334 20 5 DGBDMO CCC[N@H+]1CC[C@H](Nc2nc3ccc([N+](=O)[O-])cc3s2)C1 ZINC000853906360 620751823 /nfs/dbraw/zinc/75/18/23/620751823.db2.gz NLKIWPSPKKQWDT-JTQLQIEISA-N 1 1 306.391 3.101 20 5 DGBDMO COc1ccc(C[N@H+](Cc2cccc([N+](=O)[O-])c2)C2CC2)o1 ZINC000891622728 617854770 /nfs/dbraw/zinc/85/47/70/617854770.db2.gz IYTPQQANJHFZJX-UHFFFAOYSA-N 1 1 302.330 3.361 20 5 DGBDMO COc1ccc(C[N@@H+](Cc2cccc([N+](=O)[O-])c2)C2CC2)o1 ZINC000891622728 617854776 /nfs/dbraw/zinc/85/47/76/617854776.db2.gz IYTPQQANJHFZJX-UHFFFAOYSA-N 1 1 302.330 3.361 20 5 DGBDMO COc1c(O)ccc(C[N@@H+]([C@@H](C)C2CC2)C2CC2)c1[N+](=O)[O-] ZINC000891669169 617863895 /nfs/dbraw/zinc/86/38/95/617863895.db2.gz WISJKAUQVJEGMY-JTQLQIEISA-N 1 1 306.362 3.072 20 5 DGBDMO CC(C)CCO[C@@H]1CC[N@H+](Cc2ccc([N+](=O)[O-])c(F)c2)C1 ZINC000854112425 620769637 /nfs/dbraw/zinc/76/96/37/620769637.db2.gz XWXVUNGJVOZUCW-CQSZACIVSA-N 1 1 310.369 3.371 20 5 DGBDMO CC(C)CCO[C@@H]1CC[N@@H+](Cc2ccc([N+](=O)[O-])c(F)c2)C1 ZINC000854112425 620769642 /nfs/dbraw/zinc/76/96/42/620769642.db2.gz XWXVUNGJVOZUCW-CQSZACIVSA-N 1 1 310.369 3.371 20 5 DGBDMO CC(C)c1c[nH]c(C[N@H+](C)CCc2cccc([N+](=O)[O-])c2)n1 ZINC000894678975 618420794 /nfs/dbraw/zinc/42/07/94/618420794.db2.gz ILPDPKHAQFBGCT-UHFFFAOYSA-N 1 1 302.378 3.116 20 5 DGBDMO CC(C)c1c[nH]c(C[N@@H+](C)CCc2cccc([N+](=O)[O-])c2)n1 ZINC000894678975 618420799 /nfs/dbraw/zinc/42/07/99/618420799.db2.gz ILPDPKHAQFBGCT-UHFFFAOYSA-N 1 1 302.378 3.116 20 5 DGBDMO O=[N+]([O-])c1ccc(Cl)c(Cl)c1N[C@@H]1Cc2c[nH+]cn2C1 ZINC000894997657 618509291 /nfs/dbraw/zinc/50/92/91/618509291.db2.gz XJBCLIDSYDKSMQ-SSDOTTSWSA-N 1 1 313.144 3.135 20 5 DGBDMO COc1c(O)ccc(C[NH2+][C@@H](C)c2ccsc2)c1[N+](=O)[O-] ZINC000894264625 618745229 /nfs/dbraw/zinc/74/52/29/618745229.db2.gz NKLDFXYCBDUSIJ-VIFPVBQESA-N 1 1 308.359 3.221 20 5 DGBDMO Cn1ncc(C2CC2)c1C[NH2+]Cc1ccc(Cl)cc1[N+](=O)[O-] ZINC000895375586 618775991 /nfs/dbraw/zinc/77/59/91/618775991.db2.gz ADKCSNAQRAKVEY-UHFFFAOYSA-N 1 1 320.780 3.149 20 5 DGBDMO CC(C)c1[nH+]ccn1CCNc1c(F)cc([N+](=O)[O-])cc1F ZINC000895990722 618856827 /nfs/dbraw/zinc/85/68/27/618856827.db2.gz WTFLEUMLGPRSOF-UHFFFAOYSA-N 1 1 310.304 3.305 20 5 DGBDMO CCOc1cc(NCCn2cc[nH+]c2C(C)C)ccc1[N+](=O)[O-] ZINC000895987270 618857775 /nfs/dbraw/zinc/85/77/75/618857775.db2.gz CYRCPIJHQABFBW-UHFFFAOYSA-N 1 1 318.377 3.426 20 5 DGBDMO C[C@@H]1[C@@H](NCc2cc(Cl)cc(Cl)c2[N+](=O)[O-])CC[N@@H+]1C ZINC000896555889 618928154 /nfs/dbraw/zinc/92/81/54/618928154.db2.gz RQECZMDLDGZNQW-PELKAZGASA-N 1 1 318.204 3.084 20 5 DGBDMO C[C@@H]1[C@@H](NCc2cc(Cl)cc(Cl)c2[N+](=O)[O-])CC[N@H+]1C ZINC000896555889 618928156 /nfs/dbraw/zinc/92/81/56/618928156.db2.gz RQECZMDLDGZNQW-PELKAZGASA-N 1 1 318.204 3.084 20 5 DGBDMO C[C@@H]1CC[N@@H+](Cc2ccc(-c3ccc([N+](=O)[O-])cc3)o2)CCO1 ZINC000896584370 618930487 /nfs/dbraw/zinc/93/04/87/618930487.db2.gz OBTZELOXHMJGDS-CYBMUJFWSA-N 1 1 316.357 3.466 20 5 DGBDMO [NH3+]CCc1ccc(CNCc2cc(Cl)ccc2[N+](=O)[O-])cc1 ZINC000841032760 619166952 /nfs/dbraw/zinc/16/69/52/619166952.db2.gz WZLRUTDXXOHHBY-UHFFFAOYSA-N 1 1 319.792 3.039 20 5 DGBDMO Cc1cc(C)c([N+](=O)[O-])cc1NC(=O)[C@@H]1CC[C@H]2CCCC[N@H+]21 ZINC000899936964 619384446 /nfs/dbraw/zinc/38/44/46/619384446.db2.gz KOCVAOHHQIZNDM-HIFRSBDPSA-N 1 1 317.389 3.167 20 5 DGBDMO CC1(C)C[C@@H]([NH2+]Cc2csc(N)n2)c2cc([N+](=O)[O-])ccc21 ZINC000902497874 619643625 /nfs/dbraw/zinc/64/36/25/619643625.db2.gz AWFDJIRSNCIUCQ-CYBMUJFWSA-N 1 1 318.402 3.146 20 5 DGBDMO COc1cc([C@@H](C)[NH2+][C@H](C)c2ccccn2)cc([N+](=O)[O-])c1 ZINC000903055455 619706956 /nfs/dbraw/zinc/70/69/56/619706956.db2.gz GMJOYEPSFHWPLN-VXGBXAGGSA-N 1 1 301.346 3.410 20 5 DGBDMO C[C@@H](NC1C[C@H]2CC[C@@H](C1)[N@@H+]2C1CC1)c1cccc([N+](=O)[O-])c1 ZINC000903081625 619712600 /nfs/dbraw/zinc/71/26/00/619712600.db2.gz WAPLRXXOBDBDTO-JATKITJMSA-N 1 1 315.417 3.403 20 5 DGBDMO CCc1nc(C)c(C[NH2+][C@H](C)c2cc(OC)cc([N+](=O)[O-])c2)o1 ZINC000903175443 619730357 /nfs/dbraw/zinc/73/03/57/619730357.db2.gz SBXINQQTIZYWOI-SNVBAGLBSA-N 1 1 319.361 3.313 20 5 DGBDMO [NH3+]CC1([C@@H]2CCCCN2Cc2cccc([N+](=O)[O-])c2)CCC1 ZINC000903814179 619814503 /nfs/dbraw/zinc/81/45/03/619814503.db2.gz LAEOLIMKJJAIEL-INIZCTEOSA-N 1 1 303.406 3.078 20 5 DGBDMO CCC[N@H+]1CCC[C@H](C(=O)Nc2c(C)ccc([N+](=O)[O-])c2C)C1 ZINC000908269809 620197204 /nfs/dbraw/zinc/19/72/04/620197204.db2.gz WCZFRCYOOWSYKA-AWEZNQCLSA-N 1 1 319.405 3.272 20 5 DGBDMO CC(C)[N@@H+]1CCC[C@H]1c1nc(Cc2ccccc2[N+](=O)[O-])no1 ZINC000923761927 620834236 /nfs/dbraw/zinc/83/42/36/620834236.db2.gz WXQJKRSRZVFZQP-AWEZNQCLSA-N 1 1 316.361 3.114 20 5 DGBDMO CC(C)[N@H+]1CCC[C@H]1c1nc(Cc2ccccc2[N+](=O)[O-])no1 ZINC000923761927 620834240 /nfs/dbraw/zinc/83/42/40/620834240.db2.gz WXQJKRSRZVFZQP-AWEZNQCLSA-N 1 1 316.361 3.114 20 5 DGBDMO Cc1ccc([N+](=O)[O-])c(NC[C@@H]2CC[N@H+]2C2CCCCC2)n1 ZINC000858683656 621214288 /nfs/dbraw/zinc/21/42/88/621214288.db2.gz VUXFULCSVAOHMU-AWEZNQCLSA-N 1 1 304.394 3.117 20 5 DGBDMO O=[N+]([O-])c1ccc(C[N@@H+]2CC[C@@H](O)[C@H](C3CCCC3)C2)cc1F ZINC000839201210 621351256 /nfs/dbraw/zinc/35/12/56/621351256.db2.gz GKTCYYJHEAERCI-WMLDXEAASA-N 1 1 322.380 3.107 20 5 DGBDMO Cc1cc(F)ccc1C[N@@H+](C)C[C@H](O)c1cccc([N+](=O)[O-])c1 ZINC000753787540 621465105 /nfs/dbraw/zinc/46/51/05/621465105.db2.gz YCDXZBULAZLGKS-KRWDZBQOSA-N 1 1 318.348 3.208 20 5 DGBDMO Cc1cc(F)ccc1C[N@@H+](C)C[C@@H](O)c1cccc([N+](=O)[O-])c1 ZINC000753787541 621465210 /nfs/dbraw/zinc/46/52/10/621465210.db2.gz YCDXZBULAZLGKS-QGZVFWFLSA-N 1 1 318.348 3.208 20 5 DGBDMO C[C@@H]1CSCC[N@@H+](Cc2ccc([N+](=O)[O-])c(Cl)c2)C1 ZINC000754156727 621492453 /nfs/dbraw/zinc/49/24/53/621492453.db2.gz UBNFDESIUYDYFL-JTQLQIEISA-N 1 1 300.811 3.433 20 5 DGBDMO CCC[C@@H]1CCC[N@@H+](Cn2ncc3cc([N+](=O)[O-])ccc32)C1 ZINC000757615487 621728481 /nfs/dbraw/zinc/72/84/81/621728481.db2.gz RXSNIKNEOHPNFU-CYBMUJFWSA-N 1 1 302.378 3.414 20 5 DGBDMO CCCC[N@@H+](CCOC)Cc1ccc([N+](=O)[O-])c(Cl)c1 ZINC000761512780 622013721 /nfs/dbraw/zinc/01/37/21/622013721.db2.gz WWCKNHKOZAQZIO-UHFFFAOYSA-N 1 1 300.786 3.497 20 5 DGBDMO C[C@H]1CCCC[N@@H+]1CCNCc1ccc([N+](=O)[O-])c(Cl)c1 ZINC000761522376 622014102 /nfs/dbraw/zinc/01/41/02/622014102.db2.gz OSQIKVLLTUGBHE-LBPRGKRZSA-N 1 1 311.813 3.212 20 5 DGBDMO C[C@H]1CCCC[N@H+]1CCNCc1ccc([N+](=O)[O-])c(Cl)c1 ZINC000761522376 622014105 /nfs/dbraw/zinc/01/41/05/622014105.db2.gz OSQIKVLLTUGBHE-LBPRGKRZSA-N 1 1 311.813 3.212 20 5 DGBDMO CCC(=O)c1ccc(N2CCC[N@H+](C)C[C@@H]2CC)c([N+](=O)[O-])c1 ZINC000865926130 622021768 /nfs/dbraw/zinc/02/17/68/622021768.db2.gz RFCIYAWRTQHHAA-AWEZNQCLSA-N 1 1 319.405 3.108 20 5 DGBDMO CCC(=O)c1ccc(N2CCC[N@H+](C)C[C@H]2CC)c([N+](=O)[O-])c1 ZINC000865926131 622021849 /nfs/dbraw/zinc/02/18/49/622021849.db2.gz RFCIYAWRTQHHAA-CQSZACIVSA-N 1 1 319.405 3.108 20 5 DGBDMO C[N@H+]1CC[C@@H]2CN(c3ccc(C(F)F)cc3[N+](=O)[O-])CC[C@H]21 ZINC000866206242 622066238 /nfs/dbraw/zinc/06/62/38/622066238.db2.gz CSQIRPRLJAKIEP-VXGBXAGGSA-N 1 1 311.332 3.063 20 5 DGBDMO CC[N@H+]1CCCC[C@H]1CNc1cccc([N+](=O)[O-])c1C(C)=O ZINC000763204577 622129778 /nfs/dbraw/zinc/12/97/78/622129778.db2.gz UUNUIWLMZMXYPS-ZDUSSCGKSA-N 1 1 305.378 3.084 20 5 DGBDMO C[C@@H](C(=O)OCC[C@H]1CCCC[N@H+]1C)c1cccc([N+](=O)[O-])c1 ZINC000763401834 622143279 /nfs/dbraw/zinc/14/32/79/622143279.db2.gz HPFKTFYTRMCFRI-UKRRQHHQSA-N 1 1 320.389 3.116 20 5 DGBDMO O=[N+]([O-])c1ccc(-c2cnn(C[N@H+]3CCC4(CCC4)C3)c2)cc1 ZINC000121890276 622189466 /nfs/dbraw/zinc/18/94/66/622189466.db2.gz VZEMUISUWRDGGF-UHFFFAOYSA-N 1 1 312.373 3.292 20 5 DGBDMO Cc1nn(C[N@H+]2CCS[C@H](C)[C@@H]2C)c2ccc([N+](=O)[O-])cc12 ZINC000765002487 622239040 /nfs/dbraw/zinc/23/90/40/622239040.db2.gz OPAJJIJNAFPBGW-NWDGAFQWSA-N 1 1 320.418 3.036 20 5 DGBDMO Cc1nn(C[N@@H+]2CCS[C@H](C)[C@@H]2C)c2ccc([N+](=O)[O-])cc12 ZINC000765002487 622239043 /nfs/dbraw/zinc/23/90/43/622239043.db2.gz OPAJJIJNAFPBGW-NWDGAFQWSA-N 1 1 320.418 3.036 20 5 DGBDMO C[N@@H+](Cc1cc(Cl)cc(Cl)c1[N+](=O)[O-])C[C@H](O)C1CC1 ZINC000809953919 622355024 /nfs/dbraw/zinc/35/50/24/622355024.db2.gz SPWXNMRYYJEAMX-LBPRGKRZSA-N 1 1 319.188 3.104 20 5 DGBDMO C[N@H+](Cc1cc(Cl)cc(Cl)c1[N+](=O)[O-])C[C@H](O)C1CC1 ZINC000809953919 622355028 /nfs/dbraw/zinc/35/50/28/622355028.db2.gz SPWXNMRYYJEAMX-LBPRGKRZSA-N 1 1 319.188 3.104 20 5 DGBDMO C[C@@H](C[C@@H]1CCCC[N@H+]1C)OC(=O)c1ccccc1[N+](=O)[O-] ZINC000870789914 622511324 /nfs/dbraw/zinc/51/13/24/622511324.db2.gz ZMTBAPHTNPBSBS-STQMWFEESA-N 1 1 306.362 3.015 20 5 DGBDMO CSc1ccc([N+](=O)[O-])cc1[C@H](C)[NH2+]CC(C)(C)N(C)C ZINC000872016345 622752651 /nfs/dbraw/zinc/75/26/51/622752651.db2.gz IVQSWRBTXCBCAH-NSHDSACASA-N 1 1 311.451 3.308 20 5 DGBDMO C[C@@H]([NH2+]Cc1ccc2c(c1)OCO2)c1c(F)cccc1[N+](=O)[O-] ZINC000872016887 622753426 /nfs/dbraw/zinc/75/34/26/622753426.db2.gz PVWDZCBECRXYQZ-SNVBAGLBSA-N 1 1 318.304 3.313 20 5 DGBDMO CSc1ccc([N+](=O)[O-])cc1[C@H](C)NC[C@@H]1CCC[N@@H+]1C ZINC000872028730 622760653 /nfs/dbraw/zinc/76/06/53/622760653.db2.gz SNEVAKBSZZPWRK-AAEUAGOBSA-N 1 1 309.435 3.062 20 5 DGBDMO CSc1ccc([N+](=O)[O-])cc1[C@H](C)NC[C@@H]1CCC[N@H+]1C ZINC000872028730 622760661 /nfs/dbraw/zinc/76/06/61/622760661.db2.gz SNEVAKBSZZPWRK-AAEUAGOBSA-N 1 1 309.435 3.062 20 5 DGBDMO CSc1ccc([N+](=O)[O-])cc1[C@H](C)NC[C@@H]1CCC[N@@H+](C)C1 ZINC000872036666 622766473 /nfs/dbraw/zinc/76/64/73/622766473.db2.gz UTSJMGJMNWRAOP-STQMWFEESA-N 1 1 323.462 3.309 20 5 DGBDMO CSc1ccc([N+](=O)[O-])cc1[C@H](C)[NH2+]C[C@@H]1CCCN(C)C1 ZINC000872036666 622766479 /nfs/dbraw/zinc/76/64/79/622766479.db2.gz UTSJMGJMNWRAOP-STQMWFEESA-N 1 1 323.462 3.309 20 5 DGBDMO C[C@@H]([NH2+]C[C@H](O)c1ccsc1)c1c(F)cccc1[N+](=O)[O-] ZINC000872038010 622767873 /nfs/dbraw/zinc/76/78/73/622767873.db2.gz JSESKZIUGOTGGX-RNCFNFMXSA-N 1 1 310.350 3.180 20 5 DGBDMO Cc1ccc([C@@H](O)C[NH2+][C@@H](C)c2c(F)cccc2[N+](=O)[O-])o1 ZINC000872039949 622768426 /nfs/dbraw/zinc/76/84/26/622768426.db2.gz WVBFYTURIPVRML-GWCFXTLKSA-N 1 1 308.309 3.020 20 5 DGBDMO CCn1cc(C[NH2+][C@H](C)c2cc([N+](=O)[O-])ccc2SC)cn1 ZINC000872046195 622772219 /nfs/dbraw/zinc/77/22/19/622772219.db2.gz VLAGGZIFMBBNKI-LLVKDONJSA-N 1 1 320.418 3.384 20 5 DGBDMO C[C@@H]([NH2+]Cc1nc2c(s1)CCC2)c1cccc([N+](=O)[O-])c1 ZINC000771818327 622799667 /nfs/dbraw/zinc/79/96/67/622799667.db2.gz JVCJXFHDYZTPRU-SNVBAGLBSA-N 1 1 303.387 3.391 20 5 DGBDMO Cc1ccc(C)c([C@@H]2CCC[N@@H+]2Cn2nccc2[N+](=O)[O-])c1 ZINC000124048391 622894129 /nfs/dbraw/zinc/89/41/29/622894129.db2.gz ONEXAUQHZNWNAR-HNNXBMFYSA-N 1 1 300.362 3.203 20 5 DGBDMO Cc1ccc(C)c([C@@H]2CCC[N@H+]2Cn2nccc2[N+](=O)[O-])c1 ZINC000124048391 622894134 /nfs/dbraw/zinc/89/41/34/622894134.db2.gz ONEXAUQHZNWNAR-HNNXBMFYSA-N 1 1 300.362 3.203 20 5 DGBDMO CC1(F)CC[NH+](Cn2cc(-c3ccccc3[N+](=O)[O-])cn2)CC1 ZINC000872691228 622953662 /nfs/dbraw/zinc/95/36/62/622953662.db2.gz CMUFLGREXQFXGU-UHFFFAOYSA-N 1 1 318.352 3.240 20 5 DGBDMO Cc1ccc2nc(C[NH2+]Cc3c(C)ccc([N+](=O)[O-])c3C)cn2c1 ZINC000873043941 623024698 /nfs/dbraw/zinc/02/46/98/623024698.db2.gz XNMSTRSZBQCCOB-UHFFFAOYSA-N 1 1 324.384 3.458 20 5 DGBDMO CCCc1nc(C)c(C[NH2+]Cc2cccc([N+](=O)[O-])c2C)o1 ZINC000873127494 623042253 /nfs/dbraw/zinc/04/22/53/623042253.db2.gz OUEQPPOWWXIMRH-UHFFFAOYSA-N 1 1 303.362 3.442 20 5 DGBDMO Cc1ccc(CN[C@@H]2CCC[C@H]2[C@@H]2CCCC[NH2+]2)cc1[N+](=O)[O-] ZINC000873249917 623091008 /nfs/dbraw/zinc/09/10/08/623091008.db2.gz DFBLJHWBJURRPY-YESZJQIVSA-N 1 1 317.433 3.304 20 5 DGBDMO C[N@H+](Cc1cccc(Cl)c1)C[C@H](O)c1ccc([N+](=O)[O-])cc1 ZINC000776272429 623405370 /nfs/dbraw/zinc/40/53/70/623405370.db2.gz SUDQTNDFDDLZHB-INIZCTEOSA-N 1 1 320.776 3.414 20 5 DGBDMO O=[N+]([O-])c1ccc([C@@H](O)C[N@H+]2CCC3(C2)CCCCC3)cc1 ZINC000776588729 623444010 /nfs/dbraw/zinc/44/40/10/623444010.db2.gz OFJNCNRMJLPKLE-INIZCTEOSA-N 1 1 304.390 3.284 20 5 DGBDMO O=[N+]([O-])c1ccc([C@@H](O)C[N@H+]2CCC[C@@]3(CC=CCC3)C2)cc1 ZINC000776584664 623444018 /nfs/dbraw/zinc/44/40/18/623444018.db2.gz OFGXZJWLHWEJBL-ROUUACIJSA-N 1 1 316.401 3.451 20 5 DGBDMO C[C@@H]1C[C@H](C)[N@@H+](Cn2cc(-c3cccc([N+](=O)[O-])c3)cn2)C1 ZINC000777956371 623589956 /nfs/dbraw/zinc/58/99/56/623589956.db2.gz GVTSPYLFLOPOFT-OLZOCXBDSA-N 1 1 300.362 3.146 20 5 DGBDMO CC1(C)[C@@H]2C[N@H+](Cn3cc(-c4cccc([N+](=O)[O-])c4)cn3)C[C@@H]21 ZINC000777956656 623590875 /nfs/dbraw/zinc/59/08/75/623590875.db2.gz KHNFBDFUTIGOGV-IYBDPMFKSA-N 1 1 312.373 3.004 20 5 DGBDMO C[C@H]1CC[C@](CO)([N@@H+](C)Cc2ccc(Cl)c([N+](=O)[O-])c2)C1 ZINC000778426784 623656036 /nfs/dbraw/zinc/65/60/36/623656036.db2.gz BQBLEDCVTXGQHF-NHYWBVRUSA-N 1 1 312.797 3.231 20 5 DGBDMO Cc1nn(C[N@@H+]2CCC[C@@H](Cc3ccccc3)C2)cc1[N+](=O)[O-] ZINC000779860806 623823801 /nfs/dbraw/zinc/82/38/01/623823801.db2.gz JBNRNARTTPJFMU-INIZCTEOSA-N 1 1 314.389 3.012 20 5 DGBDMO Cc1nn(C[N@H+]2CCC[C@@H](Cc3ccccc3)C2)cc1[N+](=O)[O-] ZINC000779860806 623823806 /nfs/dbraw/zinc/82/38/06/623823806.db2.gz JBNRNARTTPJFMU-INIZCTEOSA-N 1 1 314.389 3.012 20 5 DGBDMO CC(C)(O)[C@@H]1CCC[N@@H+](Cc2ccc([N+](=O)[O-])cc2Cl)C1 ZINC000877796540 624037767 /nfs/dbraw/zinc/03/77/67/624037767.db2.gz HRBISBPUGIWSLT-GFCCVEGCSA-N 1 1 312.797 3.231 20 5 DGBDMO CC(C)(O)[C@H]1CCC[N@@H+](Cc2cc([N+](=O)[O-])ccc2Cl)C1 ZINC000877797041 624038875 /nfs/dbraw/zinc/03/88/75/624038875.db2.gz OUVOLNZNAHETQG-LBPRGKRZSA-N 1 1 312.797 3.231 20 5 DGBDMO CC(C)(O)[C@@H]1CCC[N@@H+](Cc2cc(Cl)ccc2[N+](=O)[O-])C1 ZINC000877797204 624038889 /nfs/dbraw/zinc/03/88/89/624038889.db2.gz QLUNWTVRPRMYKN-GFCCVEGCSA-N 1 1 312.797 3.231 20 5 DGBDMO CC[N@H+](Cc1nnc(-c2ccccc2[N+](=O)[O-])o1)CC(C)C ZINC000877957912 624110903 /nfs/dbraw/zinc/11/09/03/624110903.db2.gz GNYCXYFZWBVRAW-UHFFFAOYSA-N 1 1 304.350 3.123 20 5 DGBDMO C[N@H+](Cc1nnc(-c2ccc(Cl)cc2[N+](=O)[O-])o1)CC1CC1 ZINC000877973039 624118028 /nfs/dbraw/zinc/11/80/28/624118028.db2.gz UBIKYJAIUGHSJO-UHFFFAOYSA-N 1 1 322.752 3.140 20 5 DGBDMO C[C@@H]1CC[N@@H+](Cc2nnc(-c3ccc(Cl)cc3[N+](=O)[O-])o2)C1 ZINC000878030998 624142282 /nfs/dbraw/zinc/14/22/82/624142282.db2.gz NIFIIJDQJOYJOS-SECBINFHSA-N 1 1 322.752 3.140 20 5 DGBDMO O=[N+]([O-])c1ccccc1-c1nnc(C[N@H+]2CCC[C@@H]2C2CC2)o1 ZINC000878050574 624149858 /nfs/dbraw/zinc/14/98/58/624149858.db2.gz YALKQIWBBBXXKZ-CYBMUJFWSA-N 1 1 314.345 3.019 20 5 DGBDMO C[C@H]1CC[C@H](C)[N@@H+](Cc2nnc(-c3ccccc3[N+](=O)[O-])o2)C1 ZINC000878154236 624191903 /nfs/dbraw/zinc/19/19/03/624191903.db2.gz WNIDEVNYBZDEGU-RYUDHWBXSA-N 1 1 316.361 3.265 20 5 DGBDMO C[C@@H]1CC[C@H](C)[N@@H+](Cc2nnc(-c3ccccc3[N+](=O)[O-])o2)C1 ZINC000878154234 624192093 /nfs/dbraw/zinc/19/20/93/624192093.db2.gz WNIDEVNYBZDEGU-NEPJUHHUSA-N 1 1 316.361 3.265 20 5 DGBDMO Cc1cc(C2CC[NH+](Cc3ccc(C)c([N+](=O)[O-])c3)CC2)n[nH]1 ZINC000878339187 624248870 /nfs/dbraw/zinc/24/88/70/624248870.db2.gz IOZMTMLAMXEPCY-UHFFFAOYSA-N 1 1 314.389 3.314 20 5 DGBDMO CC[C@@H]1C[C@H](C)C[N@H+]1CCC(=O)Nc1cc([N+](=O)[O-])ccc1F ZINC000782502698 624257223 /nfs/dbraw/zinc/25/72/23/624257223.db2.gz FPCHKYIUKQOSDA-NWDGAFQWSA-N 1 1 323.368 3.183 20 5 DGBDMO O=[N+]([O-])c1cccc([C@@H](O)C[N@H+]2CCCC3(CCCC3)C2)c1 ZINC000782636696 624269780 /nfs/dbraw/zinc/26/97/80/624269780.db2.gz HZBCIBDCFWYYLR-INIZCTEOSA-N 1 1 304.390 3.284 20 5 DGBDMO O=[N+]([O-])c1ccccc1-c1nnc(C[N@H+]2CCCC23CCC3)o1 ZINC000878518820 624297072 /nfs/dbraw/zinc/29/70/72/624297072.db2.gz RTRULUVTABCAPB-UHFFFAOYSA-N 1 1 314.345 3.163 20 5 DGBDMO O=[N+]([O-])c1ccc(C[N@@H+]2CCC[C@H](n3ccnc3)C2)cc1Cl ZINC000783557122 624365651 /nfs/dbraw/zinc/36/56/51/624365651.db2.gz PFGWCZPVEKHVPL-ZDUSSCGKSA-N 1 1 320.780 3.282 20 5 DGBDMO O=[N+]([O-])c1ccc(C[N@H+]2CCC[C@H](n3ccnc3)C2)cc1Cl ZINC000783557122 624365653 /nfs/dbraw/zinc/36/56/53/624365653.db2.gz PFGWCZPVEKHVPL-ZDUSSCGKSA-N 1 1 320.780 3.282 20 5 DGBDMO C[C@@]1(C(F)(F)F)CC[N@@H+](CCOc2ccccc2[N+](=O)[O-])C1 ZINC000879999581 624746745 /nfs/dbraw/zinc/74/67/45/624746745.db2.gz FOMCIWULGQOLTJ-CYBMUJFWSA-N 1 1 318.295 3.248 20 5 DGBDMO O=[N+]([O-])c1cccc(F)c1C[N@@H+]1CC[C@@H](c2nccs2)C1 ZINC000880316574 624912238 /nfs/dbraw/zinc/91/22/38/624912238.db2.gz HUPJWCPWSBBIRE-SNVBAGLBSA-N 1 1 307.350 3.180 20 5 DGBDMO O=[N+]([O-])c1cccc(F)c1C[N@H+]1CC[C@@H](c2nccs2)C1 ZINC000880316574 624912240 /nfs/dbraw/zinc/91/22/40/624912240.db2.gz HUPJWCPWSBBIRE-SNVBAGLBSA-N 1 1 307.350 3.180 20 5 DGBDMO C[N@@H+](CCOc1ccc(F)cc1)Cc1ccc([N+](=O)[O-])c(F)c1 ZINC000788472145 625191142 /nfs/dbraw/zinc/19/11/42/625191142.db2.gz ZOJJOMJAGHNIHV-UHFFFAOYSA-N 1 1 322.311 3.384 20 5 DGBDMO C[C@@H]1CCC[N@@H+]1CCN[C@@H]1CC(C)(C)c2ccc([N+](=O)[O-])cc21 ZINC000788584243 625220536 /nfs/dbraw/zinc/22/05/36/625220536.db2.gz IGFKWCBHFVYCMG-CXAGYDPISA-N 1 1 317.433 3.391 20 5 DGBDMO C[C@@H]1CCC[N@H+]1CCN[C@@H]1CC(C)(C)c2ccc([N+](=O)[O-])cc21 ZINC000788584243 625220541 /nfs/dbraw/zinc/22/05/41/625220541.db2.gz IGFKWCBHFVYCMG-CXAGYDPISA-N 1 1 317.433 3.391 20 5 DGBDMO C[C@H]([NH2+]Cc1ccc(Cl)cn1)c1ccc(N)c([N+](=O)[O-])c1 ZINC000788687120 625242967 /nfs/dbraw/zinc/24/29/67/625242967.db2.gz BYUTXVPLSFJDQD-VIFPVBQESA-N 1 1 306.753 3.076 20 5 DGBDMO CCC1CCC([N@@H+](CCO)Cc2ccc([N+](=O)[O-])c(F)c2)CC1 ZINC000801550362 626409591 /nfs/dbraw/zinc/40/95/91/626409591.db2.gz XJMBYVORVLGCIV-UHFFFAOYSA-N 1 1 324.396 3.497 20 5 DGBDMO Cc1nc(F)ccc1C[N@@H+](C)CCc1cccc([N+](=O)[O-])c1 ZINC000802658123 626565875 /nfs/dbraw/zinc/56/58/75/626565875.db2.gz KRQLDTHHLAVWMJ-UHFFFAOYSA-N 1 1 303.337 3.112 20 5 DGBDMO CC(C)[N@H+]1CCC[C@@H](CNc2c([N+](=O)[O-])cccc2[N+](=O)[O-])C1 ZINC000804392333 626676097 /nfs/dbraw/zinc/67/60/97/626676097.db2.gz XTAKFYWFTTVWIK-LBPRGKRZSA-N 1 1 322.365 3.035 20 5 DGBDMO Cc1nn(C[N@@H+](C)[C@@H](C)Cc2cccc(F)c2)c(C)c1[N+](=O)[O-] ZINC000840167882 626901848 /nfs/dbraw/zinc/90/18/48/626901848.db2.gz WQBAQISVCPDWKF-NSHDSACASA-N 1 1 320.368 3.068 20 5 DGBDMO Cc1nn(C[N@H+](C)[C@@H](C)Cc2cccc(F)c2)c(C)c1[N+](=O)[O-] ZINC000840167882 626901851 /nfs/dbraw/zinc/90/18/51/626901851.db2.gz WQBAQISVCPDWKF-NSHDSACASA-N 1 1 320.368 3.068 20 5 DGBDMO C[N@@H+](Cn1cc([N+](=O)[O-])cn1)[C@@H]1CCCC[C@H]1c1ccccc1 ZINC000840181958 626922318 /nfs/dbraw/zinc/92/23/18/626922318.db2.gz MUYFTWWODQDDMO-DLBZAZTESA-N 1 1 314.389 3.407 20 5 DGBDMO CCC[C@]1(CO)CC[N@@H+](Cc2ccc([N+](=O)[O-])c(Cl)c2)C1 ZINC000809790144 626953912 /nfs/dbraw/zinc/95/39/12/626953912.db2.gz AOLNLJGEQFFRPI-HNNXBMFYSA-N 1 1 312.797 3.233 20 5 DGBDMO CC[C@H](C)[N@@H+](CCO)Cc1cc(Cl)cc(Cl)c1[N+](=O)[O-] ZINC000810017728 626968725 /nfs/dbraw/zinc/96/87/25/626968725.db2.gz HWARKYVHEXXLDG-VIFPVBQESA-N 1 1 321.204 3.494 20 5 DGBDMO O=[N+]([O-])c1ccc2cnn(C[N@H+]3CC[C@@H](C4CCC4)C3)c2c1 ZINC000840190731 626973896 /nfs/dbraw/zinc/97/38/96/626973896.db2.gz YDXZAJWPUNBFAB-CQSZACIVSA-N 1 1 300.362 3.024 20 5 DGBDMO O=C(O[C@H]1CC[N@H+]2CCC[C@H]2C1)c1cc(Cl)cc([N+](=O)[O-])c1 ZINC000810852005 627055982 /nfs/dbraw/zinc/05/59/82/627055982.db2.gz OLOBPDBNHGFFAU-JSGCOSHPSA-N 1 1 324.764 3.032 20 5 DGBDMO COc1ccc(C[NH2+]Cc2ccc([N+](=O)[O-])cc2)c(F)c1OC ZINC000885927351 627062051 /nfs/dbraw/zinc/06/20/51/627062051.db2.gz QINLOMRICSEPOF-UHFFFAOYSA-N 1 1 320.320 3.041 20 5 DGBDMO O=[N+]([O-])c1ncccc1C[NH+]1CCC(OC2CCCCC2)CC1 ZINC000885972973 627074299 /nfs/dbraw/zinc/07/42/99/627074299.db2.gz NAOACMAUZAQSCD-UHFFFAOYSA-N 1 1 319.405 3.304 20 5 DGBDMO Cc1ccccc1[C@H](CO)[N@@H+](C)Cc1ccc([N+](=O)[O-])c(F)c1 ZINC000886439561 627148757 /nfs/dbraw/zinc/14/87/57/627148757.db2.gz ZYJUMXSYBHMXCP-KRWDZBQOSA-N 1 1 318.348 3.208 20 5 DGBDMO Cc1noc(C[N@@H+]2CC[C@H](C)[C@H]2c2ccccc2)c1[N+](=O)[O-] ZINC000886540231 627159125 /nfs/dbraw/zinc/15/91/25/627159125.db2.gz BCFXVVMXQCNOQV-NHYWBVRUSA-N 1 1 301.346 3.474 20 5 DGBDMO CC(C)OC(=O)C1CC[NH+]([C@H](C)c2ccccc2[N+](=O)[O-])CC1 ZINC000886723768 627197601 /nfs/dbraw/zinc/19/76/01/627197601.db2.gz LODZJDISGDXVPZ-CYBMUJFWSA-N 1 1 320.389 3.319 20 5 DGBDMO Cc1ccc([N+](=O)[O-])cc1[C@H](C)[N@H+]1CC[C@@H]([C@@H]2CCCO2)C1 ZINC000886822202 627208659 /nfs/dbraw/zinc/20/86/59/627208659.db2.gz NPMNSCSUCOCLDV-VBQJREDUSA-N 1 1 304.390 3.465 20 5 DGBDMO CN(C)C(C)(C)C[NH2+]Cc1cc(Cl)cc(Cl)c1[N+](=O)[O-] ZINC000811471700 627278412 /nfs/dbraw/zinc/27/84/12/627278412.db2.gz IGTHROGBMFIIIA-UHFFFAOYSA-N 1 1 320.220 3.331 20 5 DGBDMO CC(C)[C@H]1C[N@H+](Cc2cc(Cl)ccc2[N+](=O)[O-])CCCO1 ZINC000815312552 627656829 /nfs/dbraw/zinc/65/68/29/627656829.db2.gz AHOTXMCGIIQNGD-OAHLLOKOSA-N 1 1 312.797 3.495 20 5 DGBDMO CC(C)[C@H]1C[N@@H+](Cc2cc(Cl)ccc2[N+](=O)[O-])CCCO1 ZINC000815312552 627656833 /nfs/dbraw/zinc/65/68/33/627656833.db2.gz AHOTXMCGIIQNGD-OAHLLOKOSA-N 1 1 312.797 3.495 20 5 DGBDMO CCC[C@H]([NH2+]Cc1cc(N)ccn1)c1cccc([N+](=O)[O-])c1 ZINC000925772235 627791993 /nfs/dbraw/zinc/79/19/93/627791993.db2.gz RBJWIUJZXDXILR-INIZCTEOSA-N 1 1 300.362 3.203 20 5 DGBDMO CCc1noc(C)c1C[NH2+]Cc1ccc([N+](=O)[O-])c(Cl)c1 ZINC000816638232 627818430 /nfs/dbraw/zinc/81/84/30/627818430.db2.gz FTHQWMULPLXVJN-UHFFFAOYSA-N 1 1 309.753 3.397 20 5 DGBDMO COc1ccnc([C@H](C)[NH2+]Cc2ccc(C)c([N+](=O)[O-])c2)c1 ZINC000926797226 627956847 /nfs/dbraw/zinc/95/68/47/627956847.db2.gz RNOBUQBUYLAULX-LBPRGKRZSA-N 1 1 301.346 3.158 20 5 DGBDMO C[C@H]([NH2+][C@@H]1C[C@@]1(F)c1ccccc1)c1ccc(N)c([N+](=O)[O-])c1 ZINC000818357317 628018395 /nfs/dbraw/zinc/01/83/95/628018395.db2.gz ZCCUNYKDQQZMIO-YMRXKLBXSA-N 1 1 315.348 3.465 20 5 DGBDMO C[C@H]1CN(Cc2ccc([N+](=O)[O-])c(Cl)c2)CC[N@H+](C2CC2)C1 ZINC000824445548 628661507 /nfs/dbraw/zinc/66/15/07/628661507.db2.gz DYFIVCDNTRXMGH-LBPRGKRZSA-N 1 1 323.824 3.164 20 5 DGBDMO O=[N+]([O-])c1ccc(C[N@@H+]2CCC[C@@H]2[C@H]2CCC[C@@H]2O)cc1Cl ZINC000824721241 628687096 /nfs/dbraw/zinc/68/70/96/628687096.db2.gz ABXJVUNOZQMFHV-XPKDYRNWSA-N 1 1 324.808 3.374 20 5 DGBDMO O=[N+]([O-])c1ccccc1C[N@@H+](C/C=C\Cl)[C@H]1CC[C@H](O)CC1 ZINC000828807144 629095007 /nfs/dbraw/zinc/09/50/07/629095007.db2.gz JLUBHJIOWGQDIP-RZUHODDWSA-N 1 1 324.808 3.453 20 5 DGBDMO O=[N+]([O-])c1ccccc1C[N@H+](C/C=C\Cl)[C@H]1CC[C@H](O)CC1 ZINC000828807144 629095011 /nfs/dbraw/zinc/09/50/11/629095011.db2.gz JLUBHJIOWGQDIP-RZUHODDWSA-N 1 1 324.808 3.453 20 5 DGBDMO CCC(=O)c1ccc(N2CC[NH+]([C@H](C)CC)CC2)c([N+](=O)[O-])c1 ZINC000829253465 629144560 /nfs/dbraw/zinc/14/45/60/629144560.db2.gz SAGJZDYIEVMBAU-CYBMUJFWSA-N 1 1 319.405 3.108 20 5 DGBDMO CO[C@H]1C[C@H]([N@@H+](C)Cc2ccc([N+](=O)[O-])c(F)c2)C12CCC2 ZINC000832209408 629450730 /nfs/dbraw/zinc/45/07/30/629450730.db2.gz HZXLDRCACPPYMF-GJZGRUSLSA-N 1 1 308.353 3.123 20 5 DGBDMO CC(C)(C)C[C@H]1CC[N@@H+](C[C@H](O)c2cccc([N+](=O)[O-])c2)C1 ZINC000832727634 629508306 /nfs/dbraw/zinc/50/83/06/629508306.db2.gz VKCNPQUZHKZYQG-CJNGLKHVSA-N 1 1 306.406 3.386 20 5 DGBDMO Cc1nn(C[NH+]2CCC3(CCCCC3)CC2)c(C)c1[N+](=O)[O-] ZINC000102393589 630090578 /nfs/dbraw/zinc/09/05/78/630090578.db2.gz QNGBWQCMUSBUEI-UHFFFAOYSA-N 1 1 306.410 3.412 20 5 DGBDMO CC(C)[N@H+]1CCCC[C@@H]1COC(=O)c1cc([N+](=O)[O-])ccc1F ZINC000837440042 630257778 /nfs/dbraw/zinc/25/77/78/630257778.db2.gz KLODPLKTCOIGRX-CYBMUJFWSA-N 1 1 324.352 3.154 20 5 DGBDMO OC[C@H]1C[N@@H+](Cc2c3ccccc3cc3ccccc32)CC[C@@H]1O ZINC000840976490 630390041 /nfs/dbraw/zinc/39/00/41/630390041.db2.gz WWKZMHVBMSZUAQ-UTKZUKDTSA-N 1 1 321.420 3.168 20 5 DGBDMO COCC[NH2+]CCNCc1c2ccccc2cc2ccccc21 ZINC000841048143 630402049 /nfs/dbraw/zinc/40/20/49/630402049.db2.gz LZODCCKTGUQCMD-UHFFFAOYSA-N 1 1 308.425 3.319 20 5 DGBDMO CC[N@@H+](CCSC)Cn1cc(-c2cccc([N+](=O)[O-])c2)cn1 ZINC000842645173 630557606 /nfs/dbraw/zinc/55/76/06/630557606.db2.gz BBETWBNHWFNAGI-UHFFFAOYSA-N 1 1 320.418 3.101 20 5 DGBDMO O=C(CC[N@H+]1CCC12CCCC2)Nc1cc([N+](=O)[O-])ccc1F ZINC000844359814 630721000 /nfs/dbraw/zinc/72/10/00/630721000.db2.gz MMUZQKHVCBJDKM-UHFFFAOYSA-N 1 1 321.352 3.081 20 5 DGBDMO CCn1cc(C[N@H+](Cc2ccc([N+](=O)[O-])c(F)c2)C(C)C)cn1 ZINC000844423028 630727827 /nfs/dbraw/zinc/72/78/27/630727827.db2.gz LOJVFZHWQKHBHC-UHFFFAOYSA-N 1 1 320.368 3.361 20 5 DGBDMO CCn1cc(C[N@@H+](Cc2ccc([N+](=O)[O-])c(F)c2)C(C)C)cn1 ZINC000844423028 630727829 /nfs/dbraw/zinc/72/78/29/630727829.db2.gz LOJVFZHWQKHBHC-UHFFFAOYSA-N 1 1 320.368 3.361 20 5 DGBDMO O=[N+]([O-])c1ccc2cnn(C[N@@H+]3CCC[C@@]4(CC4(F)F)C3)c2c1 ZINC000844746387 630826806 /nfs/dbraw/zinc/82/68/06/630826806.db2.gz LHDXKZCBSQXZDL-CQSZACIVSA-N 1 1 322.315 3.023 20 5 DGBDMO O=[N+]([O-])c1ccc2cnn(C[N@H+]3CCC[C@@]4(CC4(F)F)C3)c2c1 ZINC000844746387 630826809 /nfs/dbraw/zinc/82/68/09/630826809.db2.gz LHDXKZCBSQXZDL-CQSZACIVSA-N 1 1 322.315 3.023 20 5 DGBDMO O=[N+]([O-])c1cc(F)c(Cl)cc1N1CCC[C@@H](c2[nH]cc[nH+]2)C1 ZINC000845484152 631177972 /nfs/dbraw/zinc/17/79/72/631177972.db2.gz QVLLNCOSQACUJU-SECBINFHSA-N 1 1 324.743 3.494 20 5 DGBDMO O=[N+]([O-])c1cc(F)c(Cl)cc1N[C@H]1CCn2cc[nH+]c2C1 ZINC000845517995 631180165 /nfs/dbraw/zinc/18/01/65/631180165.db2.gz CQVBKLSQTPNREA-QMMMGPOBSA-N 1 1 310.716 3.011 20 5 DGBDMO C[C@H](CN[C@H]1CCc2c1cccc2[N+](=O)[O-])[NH+]1CCCCC1 ZINC000848521416 631675521 /nfs/dbraw/zinc/67/55/21/631675521.db2.gz OFFHVHVBUWJHFE-CJNGLKHVSA-N 1 1 303.406 3.046 20 5 DGBDMO CCC[N@@H+](C)CC(C)(C)NCc1ccc(Cl)c([N+](=O)[O-])c1 ZINC000850409599 632143097 /nfs/dbraw/zinc/14/30/97/632143097.db2.gz CMPVSNAZRULFPD-UHFFFAOYSA-N 1 1 313.829 3.458 20 5 DGBDMO COc1cc([N+](=O)[O-])ccc1[C@@H](C)[NH2+]C[C@@H](C)N1CCCCC1 ZINC000850423703 632148615 /nfs/dbraw/zinc/14/86/15/632148615.db2.gz AGSALUCDLSPASD-ZIAGYGMSSA-N 1 1 321.421 3.128 20 5 DGBDMO COc1cc([N+](=O)[O-])ccc1[C@H](C)[NH2+]C[C@@H](C)N1CCCCC1 ZINC000850423700 632148645 /nfs/dbraw/zinc/14/86/45/632148645.db2.gz AGSALUCDLSPASD-KGLIPLIRSA-N 1 1 321.421 3.128 20 5 DGBDMO CC[N@H+]1CCCN(Cc2cc(Cl)ccc2[N+](=O)[O-])[C@H](C)C1 ZINC000852166035 632565816 /nfs/dbraw/zinc/56/58/16/632565816.db2.gz BNYGGQSYWSQKMO-GFCCVEGCSA-N 1 1 311.813 3.164 20 5 DGBDMO C[C@H](CO)[C@@H]1CCCC[N@H+]1Cc1cc([N+](=O)[O-])ccc1Cl ZINC000852422614 632601579 /nfs/dbraw/zinc/60/15/79/632601579.db2.gz GJXOOBZUOLHDIX-ABAIWWIYSA-N 1 1 312.797 3.231 20 5 DGBDMO C[C@H](C(=O)Nc1cccc([N+](=O)[O-])c1)[N@H+]1CCC2(CCCC2)C1 ZINC000173822365 659402522 /nfs/dbraw/zinc/40/25/22/659402522.db2.gz HODUBKVKGYZWID-CYBMUJFWSA-N 1 1 317.389 3.188 20 5 DGBDMO Cc1ccncc1[C@@H](C)[NH2+]Cc1ccc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000792874561 660990404 /nfs/dbraw/zinc/99/04/04/660990404.db2.gz FPALMZDAYGHITK-LLVKDONJSA-N 1 1 316.317 3.057 20 5 DGBDMO Cc1cc([C@H](C)[NH2+]Cc2cc([N+](=O)[O-])ccc2Cl)n(C)n1 ZINC000793551528 661044950 /nfs/dbraw/zinc/04/49/50/661044950.db2.gz UNXWCHROZLRVPT-JTQLQIEISA-N 1 1 308.769 3.141 20 5 DGBDMO CCC(CC)C[N@@H+](CC)Cn1c(=O)oc2cccc([N+](=O)[O-])c21 ZINC000794621065 661094788 /nfs/dbraw/zinc/09/47/88/661094788.db2.gz RVXPRJQGDKANNF-UHFFFAOYSA-N 1 1 321.377 3.218 20 5 DGBDMO C[N@@H+](Cn1ncc2ccc([N+](=O)[O-])cc21)[C@H]1CCC(C)(C)C1 ZINC000794683326 661098484 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Cc1ccc([N+](=O)[O-])cc1NC(=O)C[N@H+]1CCC2(CCCC2)C1 ZINC000173827764 659401588 /nfs/dbraw/zinc/40/15/88/659401588.db2.gz LQZMNOBCJSTWBB-UHFFFAOYSA-N 1 1 317.389 3.108 20 5 DGBDMO Cc1[nH]c(CN(C)Cc2cc([N+](=O)[O-])ccc2Cl)c(C)[nH+]1 ZINC000929862685 659692257 /nfs/dbraw/zinc/69/22/57/659692257.db2.gz BSOURUJVGXOPNM-UHFFFAOYSA-N 1 1 308.769 3.220 20 5 DGBDMO CN(Cc1cc(Cl)ccc1[N+](=O)[O-])C[C@@H]1CCC[N@@H+](C)C1 ZINC000174864914 659891271 /nfs/dbraw/zinc/89/12/71/659891271.db2.gz RNWROQBXATXNIQ-GFCCVEGCSA-N 1 1 311.813 3.022 20 5 DGBDMO Cc1ccc([N+](=O)[O-])cc1[C@H](C)[N@H+]1Cc2c[nH]nc2[C@H](C)C1 ZINC000931459915 661478886 /nfs/dbraw/zinc/47/88/86/661478886.db2.gz CLCFDGTWINGCOC-NEPJUHHUSA-N 1 1 300.362 3.307 20 5 DGBDMO Cc1ccc([N+](=O)[O-])cc1[C@H](C)[N@@H+]1Cc2c[nH]nc2[C@H](C)C1 ZINC000931459915 661478887 /nfs/dbraw/zinc/47/88/87/661478887.db2.gz CLCFDGTWINGCOC-NEPJUHHUSA-N 1 1 300.362 3.307 20 5 DGBDMO O=[N+]([O-])c1ccc(Cl)cc1C[NH+]1CCC(O)(C2CCC2)CC1 ZINC000932820124 661598978 /nfs/dbraw/zinc/59/89/78/661598978.db2.gz IUQPSKLUQXZJPP-UHFFFAOYSA-N 1 1 324.808 3.375 20 5 DGBDMO O=[N+]([O-])c1ccc(F)cc1C[N@H+]1CCC[C@@H](C2CCOCC2)C1 ZINC000933078795 661616449 /nfs/dbraw/zinc/61/64/49/661616449.db2.gz RCFGJCFXQCRXEU-CQSZACIVSA-N 1 1 322.380 3.373 20 5 DGBDMO O=[N+]([O-])c1ccc(C[N@H+]2CCC[C@H](C3CCOCC3)C2)cc1F ZINC000933081200 661616592 /nfs/dbraw/zinc/61/65/92/661616592.db2.gz KEMCHHMBMMZAOH-HNNXBMFYSA-N 1 1 322.380 3.373 20 5 DGBDMO O=[N+]([O-])c1ccc(C[N@H+]2CCCC[C@@H]([C@@H]3CCOC3)C2)c(F)c1 ZINC000934838962 661739837 /nfs/dbraw/zinc/73/98/37/661739837.db2.gz RLWDPDWZCNWKNA-UKRRQHHQSA-N 1 1 322.380 3.373 20 5 DGBDMO O=[N+]([O-])c1ccc(C[N@H+]2CCCC[C@H]([C@H]3CCOC3)C2)c(F)c1 ZINC000934838963 661739949 /nfs/dbraw/zinc/73/99/49/661739949.db2.gz RLWDPDWZCNWKNA-ZFWWWQNUSA-N 1 1 322.380 3.373 20 5 DGBDMO Cc1ccc([N+](=O)[O-])c(C)c1NC(=O)[C@H]1CCC[N@@H+]1C(C)C ZINC000936033157 661827553 /nfs/dbraw/zinc/82/75/53/661827553.db2.gz LADKTRFFIYJGFO-CQSZACIVSA-N 1 1 305.378 3.023 20 5 DGBDMO CC(C)[N@H+]1CC[C@@H](CNCc2cc([N+](=O)[O-])ccc2Cl)C1 ZINC000040622612 661832078 /nfs/dbraw/zinc/83/20/78/661832078.db2.gz OFDMXMRZIGISDC-LBPRGKRZSA-N 1 1 311.813 3.068 20 5 DGBDMO Cc1nn(C[N@H+]2CCS[C@H](C)[C@H]2C)c2cc([N+](=O)[O-])ccc12 ZINC000245905239 662244145 /nfs/dbraw/zinc/24/41/45/662244145.db2.gz QQBYCGXRJYUVTA-VXGBXAGGSA-N 1 1 320.418 3.036 20 5 DGBDMO Cc1nn(C[N@@H+]2CCS[C@H](C)[C@H]2C)c2cc([N+](=O)[O-])ccc12 ZINC000245905239 662244147 /nfs/dbraw/zinc/24/41/47/662244147.db2.gz QQBYCGXRJYUVTA-VXGBXAGGSA-N 1 1 320.418 3.036 20 5 DGBDMO CC1(C)C[N@H+](C/C=C/c2ccccc2[N+](=O)[O-])[C@H]1[C@@H]1CCCO1 ZINC000956943764 662337162 /nfs/dbraw/zinc/33/71/62/662337162.db2.gz GFXDPCBFVNCFAK-DIYXLRBJSA-N 1 1 316.401 3.497 20 5 DGBDMO CC1(C)C[N@@H+](C/C=C/c2ccccc2[N+](=O)[O-])[C@H]1[C@@H]1CCCO1 ZINC000956943764 662337163 /nfs/dbraw/zinc/33/71/63/662337163.db2.gz GFXDPCBFVNCFAK-DIYXLRBJSA-N 1 1 316.401 3.497 20 5 DGBDMO C[C@H]1C[NH+](Cc2ccc(Br)c([N+](=O)[O-])c2)C[C@@H]1C 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3.342 20 5 DGBDMO CC[N@H+]1CCN(c2cccc(C(F)(F)F)c2[N+](=O)[O-])C[C@H]1C ZINC001458267792 1182509539 /nfs/dbraw/zinc/50/95/39/1182509539.db2.gz VSDDGEOCBYPVNX-SNVBAGLBSA-N 1 1 317.311 3.144 20 5 DGBDMO COc1ccc(OCC[N@@H+](C)[C@@H]2CCCC[C@@H]2C)c([N+](=O)[O-])c1 ZINC001459956120 1182633713 /nfs/dbraw/zinc/63/37/13/1182633713.db2.gz WTRSOGFYXQEJSQ-DZGCQCFKSA-N 1 1 322.405 3.493 20 5 DGBDMO COc1ccc(OCC[N@@H+](C)[C@H]2CCCC[C@@H]2C)c([N+](=O)[O-])c1 ZINC001459956130 1182634216 /nfs/dbraw/zinc/63/42/16/1182634216.db2.gz WTRSOGFYXQEJSQ-ZFWWWQNUSA-N 1 1 322.405 3.493 20 5 DGBDMO CC[N@@H+]1[C@H](C)CN(Cc2ccc(Cl)cc2[N+](=O)[O-])C[C@@H]1C ZINC001460328232 1182677140 /nfs/dbraw/zinc/67/71/40/1182677140.db2.gz JDSCFMNMZLUOCU-TXEJJXNPSA-N 1 1 311.813 3.163 20 5 DGBDMO COc1ccc2c(c1)CC[N@@H+](Cc1cccc([N+](=O)[O-])c1C)C2 ZINC001460439740 1182689887 /nfs/dbraw/zinc/68/98/87/1182689887.db2.gz BOWUNLPEAJNSFN-UHFFFAOYSA-N 1 1 312.369 3.470 20 5 DGBDMO COc1ccc2c(c1)CC[N@H+](Cc1cccc([N+](=O)[O-])c1C)C2 ZINC001460439740 1182689891 /nfs/dbraw/zinc/68/98/91/1182689891.db2.gz BOWUNLPEAJNSFN-UHFFFAOYSA-N 1 1 312.369 3.470 20 5 DGBDMO C[N@H+]1C[C@@]2(C)CN(Cc3cc(Cl)ccc3[N+](=O)[O-])C[C@@]2(C)C1 ZINC001460557050 1182695853 /nfs/dbraw/zinc/69/58/53/1182695853.db2.gz BCJDWZRFUPMHGT-IYBDPMFKSA-N 1 1 323.824 3.022 20 5 DGBDMO C[C@H]1CN(CCc2ccc([N+](=O)[O-])cc2)CC[N@H+]1C1CCCC1 ZINC001460779362 1182720880 /nfs/dbraw/zinc/72/08/80/1182720880.db2.gz RWBIJOCPCZQKFE-HNNXBMFYSA-N 1 1 317.433 3.086 20 5 DGBDMO C[C@@H]1CN(CCc2ccc([N+](=O)[O-])cc2)CC[N@H+]1C1CCCC1 ZINC001460779364 1182721647 /nfs/dbraw/zinc/72/16/47/1182721647.db2.gz RWBIJOCPCZQKFE-OAHLLOKOSA-N 1 1 317.433 3.086 20 5 DGBDMO Cc1ccc([N+](=O)[O-])c(C)c1C[N@@H+]1C[C@]2(CCCO2)[C@H]1C1CC1 ZINC001462283060 1182934096 /nfs/dbraw/zinc/93/40/96/1182934096.db2.gz YGNWBMKBTXXXGB-QZTJIDSGSA-N 1 1 316.401 3.355 20 5 DGBDMO Cc1ccc([N+](=O)[O-])c(C)c1C[N@H+]1C[C@]2(CCCO2)[C@H]1C1CC1 ZINC001462283060 1182934100 /nfs/dbraw/zinc/93/41/00/1182934100.db2.gz YGNWBMKBTXXXGB-QZTJIDSGSA-N 1 1 316.401 3.355 20 5 DGBDMO CCC[N@@H+](CCc1ccc([N+](=O)[O-])cc1)[C@@H](CC)C(=O)OCC ZINC001473382094 1183750362 /nfs/dbraw/zinc/75/03/62/1183750362.db2.gz SXJNAZXQMIIRIV-INIZCTEOSA-N 1 1 322.405 3.191 20 5 DGBDMO COc1cc([N+](=O)[O-])ccc1C[N@@H+]1CCO[C@H](C(C)(C)C)CC1 ZINC001473896901 1183822783 /nfs/dbraw/zinc/82/27/83/1183822783.db2.gz JHPFGRDBJFMXQV-INIZCTEOSA-N 1 1 322.405 3.240 20 5 DGBDMO COc1cc([N+](=O)[O-])ccc1C[N@H+]1CCO[C@H](C(C)(C)C)CC1 ZINC001473896901 1183822784 /nfs/dbraw/zinc/82/27/84/1183822784.db2.gz JHPFGRDBJFMXQV-INIZCTEOSA-N 1 1 322.405 3.240 20 5 DGBDMO Cc1ccc(NCCNc2cc(Cl)ccc2[N+](=O)[O-])[nH+]c1 ZINC001612959472 1193464771 /nfs/dbraw/zinc/46/47/71/1193464771.db2.gz GBLNFYJAPXDPCY-UHFFFAOYSA-N 1 1 306.753 3.476 20 5 DGBDMO C[C@@H](C(=O)Nc1ccc([N+](=O)[O-])cc1)[N@H+]1CCCC(C)(C)CC1 ZINC001615700152 1193526717 /nfs/dbraw/zinc/52/67/17/1193526717.db2.gz LHDUHHYNKOVCQQ-ZDUSSCGKSA-N 1 1 319.405 3.434 20 5 DGBDMO CC[C@@H]1C[N@@H+](CC)CCN1Cc1cc([N+](=O)[O-])ccc1Cl ZINC001617910797 1193585662 /nfs/dbraw/zinc/58/56/62/1193585662.db2.gz LWRSTRRXWBACIO-CYBMUJFWSA-N 1 1 311.813 3.164 20 5 DGBDMO CC[C@@H]1CC[N@@H+](CCOc2ccc(OC)cc2[N+](=O)[O-])[C@@H]1C ZINC001559768088 1189240474 /nfs/dbraw/zinc/24/04/74/1189240474.db2.gz CMZOMNMGHMMXEQ-CHWSQXEVSA-N 1 1 308.378 3.103 20 5 DGBDMO O=[N+]([O-])CC[N@H+]1CCC[C@H](c2cccc(C(F)(F)F)c2)C1 ZINC001559830726 1189247705 /nfs/dbraw/zinc/24/77/05/1189247705.db2.gz KZFGEOANEMMOEW-LBPRGKRZSA-N 1 1 302.296 3.162 20 5 DGBDMO O=[N+]([O-])c1ccccc1OCC[N@H+]1CCC[C@H](C2CCC2)C1 ZINC001560011682 1189268602 /nfs/dbraw/zinc/26/86/02/1189268602.db2.gz NHLKNTCQINIFFP-HNNXBMFYSA-N 1 1 304.390 3.486 20 5 DGBDMO CC[C@@]1(O)CCC[N@@H+](Cc2cc([N+](=O)[O-])ccc2OC(C)C)C1 ZINC001560060689 1189273619 /nfs/dbraw/zinc/27/36/19/1189273619.db2.gz TXYOBHDSPGAXRA-QGZVFWFLSA-N 1 1 322.405 3.119 20 5 DGBDMO CCOCC[N@H+](CC)Cc1ccc(C(F)(F)F)cc1[N+](=O)[O-] ZINC001560695038 1189362622 /nfs/dbraw/zinc/36/26/22/1189362622.db2.gz UJKRSFQSOPGHJT-UHFFFAOYSA-N 1 1 320.311 3.472 20 5 DGBDMO CCOCC[N@@H+](CC)Cc1ccc(C(F)(F)F)cc1[N+](=O)[O-] ZINC001560695038 1189362624 /nfs/dbraw/zinc/36/26/24/1189362624.db2.gz UJKRSFQSOPGHJT-UHFFFAOYSA-N 1 1 320.311 3.472 20 5 DGBDMO COc1ccc([N+](=O)[O-])cc1C[NH2+]Cc1cccn1C(F)F ZINC001560705915 1189363041 /nfs/dbraw/zinc/36/30/41/1189363041.db2.gz VQFPSJNECIWAAT-UHFFFAOYSA-N 1 1 311.288 3.090 20 5 DGBDMO O=[N+]([O-])c1ccc(OC2C[NH+](C[C@@H]3C[C@H]3c3ccccc3)C2)cc1 ZINC001560876542 1189399221 /nfs/dbraw/zinc/39/92/21/1189399221.db2.gz OMMUHMAFBDSMAK-KXBFYZLASA-N 1 1 324.380 3.462 20 5 DGBDMO O=[N+]([O-])c1ccc(C[N@H+]2CCCC[C@H]2[C@@H]2CCCO2)cc1F ZINC001620669667 1193788642 /nfs/dbraw/zinc/78/86/42/1193788642.db2.gz XIFZTEUQZYCXNY-HOTGVXAUSA-N 1 1 308.353 3.267 20 5 DGBDMO Cc1ccc([N+](=O)[O-])c(C)c1NC(=O)[C@H]1CCC[N@H+](C(C)C)C1 ZINC001629073280 1194212921 /nfs/dbraw/zinc/21/29/21/1194212921.db2.gz SFTAAEJGKUXVTE-AWEZNQCLSA-N 1 1 319.405 3.271 20 5 DGBDMO Cc1cc(N2CC[N@H+](C)C3(CCCCC3)C2)c([N+](=O)[O-])s1 ZINC001642707262 1194930993 /nfs/dbraw/zinc/93/09/93/1194930993.db2.gz MJUZZRDFHKQHDK-UHFFFAOYSA-N 1 1 309.435 3.419 20 5 DGBDMO CC[C@@H]1CC[C@H](C)[N@@H+](CCC(=O)Nc2ccc([N+](=O)[O-])cc2)C1 ZINC001643089961 1194979056 /nfs/dbraw/zinc/97/90/56/1194979056.db2.gz MECUTEDWKZOCDY-UONOGXRCSA-N 1 1 319.405 3.434 20 5 DGBDMO O=[N+]([O-])c1ccc(OCCC[N@@H+]2C[C@@H]3CC=CC[C@@H]3C2)cc1 ZINC001648056578 1195274413 /nfs/dbraw/zinc/27/44/13/1195274413.db2.gz IXMDGTCPCBMBFN-GASCZTMLSA-N 1 1 302.374 3.262 20 5 DGBDMO COc1cc([N+](=O)[O-])ccc1C[NH2+][C@H](C)c1ncccc1C ZINC001648601093 1195312382 /nfs/dbraw/zinc/31/23/82/1195312382.db2.gz CMQHPWXXPRDXFR-GFCCVEGCSA-N 1 1 301.346 3.158 20 5 DGBDMO O=[N+]([O-])c1cc(F)ccc1C[N@@H+]1CCCC[C@@H]1[C@H]1CCCO1 ZINC001648616612 1195314829 /nfs/dbraw/zinc/31/48/29/1195314829.db2.gz FQSIWCRFIXIXNQ-GDBMZVCRSA-N 1 1 308.353 3.267 20 5 DGBDMO O=[N+]([O-])c1cc(F)ccc1C[N@H+]1CCCC[C@@H]1[C@H]1CCCO1 ZINC001648616612 1195314831 /nfs/dbraw/zinc/31/48/31/1195314831.db2.gz FQSIWCRFIXIXNQ-GDBMZVCRSA-N 1 1 308.353 3.267 20 5 DGBDMO CC(C)(C)[N@H+]1CC[C@H](Nc2nc3ccccc3cc2[N+](=O)[O-])C1 ZINC001651234035 1195430062 /nfs/dbraw/zinc/43/00/62/1195430062.db2.gz ANKSJBMIISTXOA-ZDUSSCGKSA-N 1 1 314.389 3.428 20 5 DGBDMO CC(C)(C)[N@H+]1CC[C@@H]1CNc1nc2ccccc2cc1[N+](=O)[O-] ZINC001651234016 1195430161 /nfs/dbraw/zinc/43/01/61/1195430161.db2.gz AKNNSMDUJRSJGC-CYBMUJFWSA-N 1 1 314.389 3.428 20 5 DGBDMO C[C@@H](CNc1c(F)cc([N+](=O)[O-])cc1F)[N@H+]1CCC[C@H](C)C1 ZINC001651373621 1195451001 /nfs/dbraw/zinc/45/10/01/1195451001.db2.gz JKUVEPBRVJNWCX-QWRGUYRKSA-N 1 1 313.348 3.405 20 5 DGBDMO C[C@@H]1[C@H](Nc2cc(C(F)(F)F)ccc2[N+](=O)[O-])CC[N@H+]1C ZINC001651434763 1195460188 /nfs/dbraw/zinc/46/01/88/1195460188.db2.gz CPXDTYPHQIGOHH-PSASIEDQSA-N 1 1 303.284 3.118 20 5 DGBDMO Cc1cc(N[C@H]2CC[N@@H+](C)[C@@H]2C)c([N+](=O)[O-])cc1C(F)(F)F ZINC001652248641 1195569176 /nfs/dbraw/zinc/56/91/76/1195569176.db2.gz KANNNLIGOIGDLQ-KOLCDFICSA-N 1 1 317.311 3.427 20 5 DGBDMO C[C@H]1CCC[C@H]([N@@H+](C)CCC(=O)Nc2ccc([N+](=O)[O-])cc2)C1 ZINC001652364609 1195588846 /nfs/dbraw/zinc/58/88/46/1195588846.db2.gz SKHQVWVQGPNAHW-BBRMVZONSA-N 1 1 319.405 3.434 20 5 DGBDMO Cc1ncc([N+](=O)[O-])n1CC[N@H+](C)[C@@H](c1ccccc1)C(C)C ZINC001652484527 1195604905 /nfs/dbraw/zinc/60/49/05/1195604905.db2.gz WNVDHNGXDLQIPA-QGZVFWFLSA-N 1 1 316.405 3.429 20 5 DGBDMO CO[C@]1(C)C[C@@H]([N@@H+](C)CCOc2ccc([N+](=O)[O-])cc2)C1(C)C ZINC001653446316 1195723563 /nfs/dbraw/zinc/72/35/63/1195723563.db2.gz YORDVECJWGJTRD-NVXWUHKLSA-N 1 1 322.405 3.109 20 5 DGBDMO CC(C)[N@@H+](CCC(=O)Nc1ccc([N+](=O)[O-])cc1)CC1CCC1 ZINC001653453254 1195723682 /nfs/dbraw/zinc/72/36/82/1195723682.db2.gz UHHKFGGXXDOVEV-UHFFFAOYSA-N 1 1 319.405 3.434 20 5 DGBDMO CC[C@H]1C[N@@H+](CC)CCN1Cc1ccc([N+](=O)[O-])cc1Cl ZINC001653600509 1195737438 /nfs/dbraw/zinc/73/74/38/1195737438.db2.gz DMWQCCSLRWGQEK-ZDUSSCGKSA-N 1 1 311.813 3.164 20 5 DGBDMO O=[N+]([O-])c1ccc(C[N@@H+]2CCC=C(c3ccccn3)C2)cc1F ZINC001653684408 1195743846 /nfs/dbraw/zinc/74/38/46/1195743846.db2.gz GBPCNYRELDYUOZ-UHFFFAOYSA-N 1 1 313.332 3.418 20 5 DGBDMO O=[N+]([O-])c1ccc(C[N@H+]2CCC=C(c3ccccn3)C2)cc1F ZINC001653684408 1195743847 /nfs/dbraw/zinc/74/38/47/1195743847.db2.gz GBPCNYRELDYUOZ-UHFFFAOYSA-N 1 1 313.332 3.418 20 5 DGBDMO C[N@@H+](CCNc1cccc(C(F)(F)F)c1[N+](=O)[O-])C1CC1 ZINC001655033778 1195867772 /nfs/dbraw/zinc/86/77/72/1195867772.db2.gz TVFKZZPRZDJIAS-UHFFFAOYSA-N 1 1 303.284 3.120 20 5 DGBDMO O=[N+]([O-])c1ccccc1OCC[N@H+]1CCCC[C@@]12CCCOC2 ZINC001655141718 1195881696 /nfs/dbraw/zinc/88/16/96/1195881696.db2.gz LNLADPWJWLIRDB-KRWDZBQOSA-N 1 1 320.389 3.009 20 5 DGBDMO CCC[N@@H+](CC)CCNc1nc2c(cc1[N+](=O)[O-])CCCC2 ZINC001655212308 1195891404 /nfs/dbraw/zinc/89/14/04/1195891404.db2.gz VTLHDDPWNMZHBA-UHFFFAOYSA-N 1 1 306.410 3.012 20 5 DGBDMO Cc1c(CN[C@@H](C)C[N@H+]2CCC[C@@H](C)C2)cccc1[N+](=O)[O-] ZINC001655415821 1195914061 /nfs/dbraw/zinc/91/40/61/1195914061.db2.gz ALOBKXZFHWHPAH-KGLIPLIRSA-N 1 1 305.422 3.113 20 5 DGBDMO Cc1c(C[NH2+][C@@H](C)CN2CCC[C@@H](C)C2)cccc1[N+](=O)[O-] ZINC001655415821 1195914065 /nfs/dbraw/zinc/91/40/65/1195914065.db2.gz ALOBKXZFHWHPAH-KGLIPLIRSA-N 1 1 305.422 3.113 20 5 DGBDMO C[C@@H]1CN(c2ncc(Cl)cc2[N+](=O)[O-])CC[N@H+]1C1CCCC1 ZINC001655856626 1195969875 /nfs/dbraw/zinc/96/98/75/1195969875.db2.gz PHMWHFJUQCEYIV-LLVKDONJSA-N 1 1 324.812 3.096 20 5 DGBDMO CC(C)[C@H]1CN(Cc2ccc([N+](=O)[O-])c(Cl)c2)CC[N@H+]1C ZINC001658745374 1196294836 /nfs/dbraw/zinc/29/48/36/1196294836.db2.gz KEYPKQBOBKHQFS-OAHLLOKOSA-N 1 1 311.813 3.020 20 5 DGBDMO O=[N+]([O-])c1cc(Cl)ccc1CNC[C@@H]1CCCC[N@@H+]1C1CC1 ZINC001659106408 1196345246 /nfs/dbraw/zinc/34/52/46/1196345246.db2.gz LDDYZKYGHFOCEF-HNNXBMFYSA-N 1 1 323.824 3.355 20 5 DGBDMO O=[N+]([O-])c1cc(Cl)ccc1CNC[C@@H]1CCCC[N@H+]1C1CC1 ZINC001659106408 1196345251 /nfs/dbraw/zinc/34/52/51/1196345251.db2.gz LDDYZKYGHFOCEF-HNNXBMFYSA-N 1 1 323.824 3.355 20 5 DGBDMO CC[C@@H]1CC[C@@H](C)[N@@H+](CCC(=O)Nc2ccc([N+](=O)[O-])cc2)C1 ZINC001659456567 1196385626 /nfs/dbraw/zinc/38/56/26/1196385626.db2.gz MECUTEDWKZOCDY-ZIAGYGMSSA-N 1 1 319.405 3.434 20 5 DGBDMO Cc1ncc([C@H](C)[NH2+]Cc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])s1 ZINC001659723452 1196408980 /nfs/dbraw/zinc/40/89/80/1196408980.db2.gz PCYWXQLAONVYRS-QMMMGPOBSA-N 1 1 322.346 3.119 20 5 DGBDMO COc1ccc([N+](=O)[O-])cc1C[N@H+]1C[C@H]2C[C@@]2(c2ccccc2)C1 ZINC001660127381 1196449375 /nfs/dbraw/zinc/44/93/75/1196449375.db2.gz BNFBAXHQLVPSTH-APWZRJJASA-N 1 1 324.380 3.377 20 5 DGBDMO COc1c(O)ccc(C[N@H+]2CCC[C@H](C3CCC3)C2)c1[N+](=O)[O-] ZINC001660312660 1196469767 /nfs/dbraw/zinc/46/97/67/1196469767.db2.gz MDAKAWRWVCQBDM-ZDUSSCGKSA-N 1 1 320.389 3.321 20 5 DGBDMO CC[C@H]1CCC[N@@H+](Cc2ccc(O)c(OC)c2[N+](=O)[O-])CC1 ZINC001663624383 1196915770 /nfs/dbraw/zinc/91/57/70/1196915770.db2.gz UFKVQNHOGBSOCN-LBPRGKRZSA-N 1 1 308.378 3.321 20 5 DGBDMO O=[N+]([O-])c1ccccc1/C=C\C[N@H+]1CC[C@@H]2OCCC[C@H]2C1 ZINC000255449027 1203844503 /nfs/dbraw/zinc/84/45/03/1203844503.db2.gz BOLWEYMMRHIGTO-BAUXQTRNSA-N 1 1 302.374 3.109 20 5 DGBDMO CCCO[C@@H]1CC[N@H+]([C@H](C)Cc2ccc(OC)cc2[N+](=O)[O-])C1 ZINC001170344358 1082355720 /nfs/dbraw/zinc/35/57/20/1082355720.db2.gz BBSJLFAUZDHMAQ-CZUORRHYSA-N 1 1 322.405 3.035 20 5 DGBDMO Cc1[nH+]c(N)ccc1CNc1ccc2cc([N+](=O)[O-])ccc2n1 ZINC001167781344 1083839476 /nfs/dbraw/zinc/83/94/76/1083839476.db2.gz KRIJGCRZGXFWJJ-UHFFFAOYSA-N 1 1 309.329 3.041 20 5 DGBDMO C[N@@H+](CCNc1ncc([N+](=O)[O-])c2ccccc21)C1CCCC1 ZINC001185306518 1084411623 /nfs/dbraw/zinc/41/16/23/1084411623.db2.gz QRHNXLVGTYDNNH-UHFFFAOYSA-N 1 1 314.389 3.429 20 5 DGBDMO C[N@@H+](CCOC(C)(C)C)Cc1ccc(Cl)c([N+](=O)[O-])c1 ZINC000689903512 1087644464 /nfs/dbraw/zinc/64/44/64/1087644464.db2.gz LMNPMFMXRZJRDE-UHFFFAOYSA-N 1 1 300.786 3.495 20 5 DGBDMO O=[N+]([O-])c1cc2ccccc2nc1N[C@H]1CC[N@H+](C2CCC2)C1 ZINC001161177045 1089141364 /nfs/dbraw/zinc/14/13/64/1089141364.db2.gz GMVRZGBKJPBZBJ-ZDUSSCGKSA-N 1 1 312.373 3.182 20 5 DGBDMO COC(=O)c1cc([N+](=O)[O-])c(Cl)cc1NC(=[NH2+])C(C)(C)C ZINC001162665463 1089868539 /nfs/dbraw/zinc/86/85/39/1089868539.db2.gz HBRCHTSYPGBUKW-UHFFFAOYSA-N 1 1 313.741 3.470 20 5 DGBDMO CC(C)[N@H+]1CC[C@@H](Nc2ncc([N+](=O)[O-])cc2Cl)[C@H](C)C1 ZINC001163358624 1090162170 /nfs/dbraw/zinc/16/21/70/1090162170.db2.gz WHFBFYXVJKCGMH-ZWNOBZJWSA-N 1 1 312.801 3.174 20 5 DGBDMO CC(C)[N@H+]1CC[C@@H](Nc2cc(Cl)cc([N+](=O)[O-])n2)[C@@H](C)C1 ZINC001163360854 1090162434 /nfs/dbraw/zinc/16/24/34/1090162434.db2.gz GGINQBNTAJPDOO-CMPLNLGQSA-N 1 1 312.801 3.174 20 5 DGBDMO CC(C)[N@H+]1CCN(c2ccc3c(cccc3[N+](=O)[O-])n2)C[C@H]1C ZINC001165198785 1090477401 /nfs/dbraw/zinc/47/74/01/1090477401.db2.gz AKHJWXXRTVZUTG-CYBMUJFWSA-N 1 1 314.389 3.062 20 5 DGBDMO CC(C)[N@H+]1CCN(c2ncc([N+](=O)[O-])c3ccccc32)C[C@H]1C ZINC001165199502 1090477526 /nfs/dbraw/zinc/47/75/26/1090477526.db2.gz YOABKIORQCUOTI-CYBMUJFWSA-N 1 1 314.389 3.062 20 5 DGBDMO C[N@H+]1CCC[C@H](CCNc2ncc(C(C)(C)C)cc2[N+](=O)[O-])C1 ZINC001165260189 1090491645 /nfs/dbraw/zinc/49/16/45/1090491645.db2.gz FNJLTZXNBWDLQO-CYBMUJFWSA-N 1 1 320.437 3.431 20 5 DGBDMO CC[C@@H]([NH2+]Cc1csnc1OC)c1cccc([N+](=O)[O-])c1 ZINC001168741450 1091038200 /nfs/dbraw/zinc/03/82/00/1091038200.db2.gz KSJPXGPVYCGYCG-CYBMUJFWSA-N 1 1 307.375 3.301 20 5 DGBDMO C[C@]1([NH3+])CCCN(Cc2ccc3ccc4cccnc4c3n2)CC1 ZINC001205281357 1091163564 /nfs/dbraw/zinc/16/35/64/1091163564.db2.gz SZLAANWWSYMQLR-FQEVSTJZSA-N 1 1 320.440 3.486 20 5 DGBDMO [NH3+][C@@H]1CCN(Cc2ccc3ccc4cccnc4c3n2)CC[C@@H]1F ZINC001206188212 1091526658 /nfs/dbraw/zinc/52/66/58/1091526658.db2.gz UUQGDYPODMOERF-DLBZAZTESA-N 1 1 324.403 3.044 20 5 DGBDMO O=[N+]([O-])C[C@@H]1CC[C@@H]([N@H+]2CCC[C@H]2Cc2ccc(F)cc2)C1 ZINC001169056916 1092513759 /nfs/dbraw/zinc/51/37/59/1092513759.db2.gz UEICZSJAUCZXBS-HYVNUMGLSA-N 1 1 306.381 3.278 20 5 DGBDMO O=[N+]([O-])c1ccccc1-c1ccc(O[C@H]2C[NH2+]CC2(F)F)cc1 ZINC001218235211 1094669839 /nfs/dbraw/zinc/66/98/39/1094669839.db2.gz AHRZGMNPOHHJEP-HNNXBMFYSA-N 1 1 320.295 3.248 20 5 DGBDMO CC[N@H+]1CCC[C@H](CN[C@H](C)c2cccc([N+](=O)[O-])c2C)C1 ZINC001116293146 1095507557 /nfs/dbraw/zinc/50/75/57/1095507557.db2.gz KMRXMAAHABXJKH-HUUCEWRRSA-N 1 1 305.422 3.286 20 5 DGBDMO O=[N+]([O-])c1ccccc1CO[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC001222760984 1095744104 /nfs/dbraw/zinc/74/41/04/1095744104.db2.gz ACZCQQAMEPCJSV-QGZVFWFLSA-N 1 1 312.369 3.386 20 5 DGBDMO C[C@@H](O[C@@H]1[C@@H]2CCC[C@H]1C[N@H+](C)C2)c1cccc([N+](=O)[O-])c1 ZINC001223427107 1095966391 /nfs/dbraw/zinc/96/63/91/1095966391.db2.gz GVIOVDCWGLRWSY-JJAZEVLHSA-N 1 1 304.390 3.403 20 5 DGBDMO C[N+](C)(C)CCCO[C@H]1CCN(Cc2ccc(Cl)cc2)C1 ZINC001224621694 1096248421 /nfs/dbraw/zinc/24/84/21/1096248421.db2.gz ZNKRGKJWEXFJIU-KRWDZBQOSA-N 1 1 311.877 3.027 20 5 DGBDMO C[NH+](C)CC[C@H](Oc1cc(O)ccc1[N+](=O)[O-])c1ccccc1 ZINC001225491465 1096446736 /nfs/dbraw/zinc/44/67/36/1096446736.db2.gz OZINLSUPBDYXOM-INIZCTEOSA-N 1 1 316.357 3.372 20 5 DGBDMO O=[N+]([O-])c1cccc(O[C@H]2CC[N@@H+](Cc3ccccc3)C2)c1F ZINC001225794148 1096531104 /nfs/dbraw/zinc/53/11/04/1096531104.db2.gz JBUOQDMXFHFQHU-AWEZNQCLSA-N 1 1 316.332 3.387 20 5 DGBDMO CC(C)[N@H+]1CCC[C@@H](Oc2cc([N+](=O)[O-])c(F)cc2F)C1 ZINC001226181646 1096630895 /nfs/dbraw/zinc/63/08/95/1096630895.db2.gz SODPQRUEWMBQPN-SNVBAGLBSA-N 1 1 300.305 3.125 20 5 DGBDMO O=[N+]([O-])c1cc(O[C@H]2C[NH+]3CCC2CC3)c(Cl)cc1Cl ZINC001226207004 1096637868 /nfs/dbraw/zinc/63/78/68/1096637868.db2.gz HQNRKXMVRCLKNJ-ZDUSSCGKSA-N 1 1 317.172 3.375 20 5 DGBDMO CC(C)[N@H+]1CC[C@@H](Oc2nc3ccc([N+](=O)[O-])cc3s2)C1 ZINC001228209329 1097074329 /nfs/dbraw/zinc/07/43/29/1097074329.db2.gz NSUZEBZXXQLVDY-LLVKDONJSA-N 1 1 307.375 3.066 20 5 DGBDMO C[N@@H+]1C[C@H]2CCC[C@@H](C1)[C@@H]2Oc1ccc([N+](=O)[O-])c(Cl)c1 ZINC001228758616 1097184345 /nfs/dbraw/zinc/18/43/45/1097184345.db2.gz GXZDRIOVILCGJJ-QHBPRCKVSA-N 1 1 310.781 3.357 20 5 DGBDMO C[N@@H+]1CCO[C@@H](COc2c3ccccc3c(O)c3ccccc32)C1 ZINC001229025879 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O=[N+]([O-])c1ccccc1OCC[N@H+]1CC[C@H]2CCCC[C@@H]2C1 ZINC001321751967 1107425224 /nfs/dbraw/zinc/42/52/24/1107425224.db2.gz MWMYPYYJPREAGH-HUUCEWRRSA-N 1 1 304.390 3.486 20 5 DGBDMO CS[C@H]1CC[C@@H]([N@@H+](C)Cn2ncc3ccc([N+](=O)[O-])cc32)C1 ZINC001318763985 1108188670 /nfs/dbraw/zinc/18/86/70/1108188670.db2.gz DNMKRKNOLNRFGN-OCCSQVGLSA-N 1 1 320.418 3.118 20 5 DGBDMO CS[C@@H]1CC[C@H]([N@@H+](C)Cn2ncc3ccc([N+](=O)[O-])cc32)C1 ZINC001318763982 1108189087 /nfs/dbraw/zinc/18/90/87/1108189087.db2.gz DNMKRKNOLNRFGN-GXTWGEPZSA-N 1 1 320.418 3.118 20 5 DGBDMO C[C@@H](c1ccccc1)[C@H](O)C[N@@H+]1Cc2ccc([N+](=O)[O-])cc2C1 ZINC001324425030 1108282467 /nfs/dbraw/zinc/28/24/67/1108282467.db2.gz PSZGTQJJCJEXSO-SCLBCKFNSA-N 1 1 312.369 3.075 20 5 DGBDMO C[C@@H](c1ccccc1)[C@H](O)C[N@H+]1Cc2ccc([N+](=O)[O-])cc2C1 ZINC001324425030 1108282477 /nfs/dbraw/zinc/28/24/77/1108282477.db2.gz PSZGTQJJCJEXSO-SCLBCKFNSA-N 1 1 312.369 3.075 20 5 DGBDMO C[C@@H](c1ccccc1)[C@@H](O)C[N@@H+]1Cc2ccc([N+](=O)[O-])cc2C1 ZINC001324425032 1108283508 /nfs/dbraw/zinc/28/35/08/1108283508.db2.gz PSZGTQJJCJEXSO-UGSOOPFHSA-N 1 1 312.369 3.075 20 5 DGBDMO C[C@@H](c1ccccc1)[C@@H](O)C[N@H+]1Cc2ccc([N+](=O)[O-])cc2C1 ZINC001324425032 1108283516 /nfs/dbraw/zinc/28/35/16/1108283516.db2.gz PSZGTQJJCJEXSO-UGSOOPFHSA-N 1 1 312.369 3.075 20 5 DGBDMO C[NH+](C)[C@@H]1CCCC[C@H]1N[C@@H]1CCCc2ccc([N+](=O)[O-])cc21 ZINC001324761593 1108454754 /nfs/dbraw/zinc/45/47/54/1108454754.db2.gz XMEYFOPAIWDSJW-KZNAEPCWSA-N 1 1 317.433 3.435 20 5 DGBDMO C[NH+](C)[C@@H]1CCCC[C@@H]1N[C@H]1CCCc2ccc([N+](=O)[O-])cc21 ZINC001324761594 1108455068 /nfs/dbraw/zinc/45/50/68/1108455068.db2.gz XMEYFOPAIWDSJW-OKZBNKHCSA-N 1 1 317.433 3.435 20 5 DGBDMO Cc1ccc([N+](=O)[O-])cc1[C@H](C)N[C@@H]1CCCC[C@@H]1[NH+](C)C ZINC001319762925 1108627105 /nfs/dbraw/zinc/62/71/05/1108627105.db2.gz KCMSBXTUILBGHT-XKQJLSEDSA-N 1 1 305.422 3.427 20 5 DGBDMO O=[N+]([O-])c1ccc2c(c1)C[N@H+](C[C@H]1CCCC3(CCC3)O1)CC2 ZINC001307524809 1111311017 /nfs/dbraw/zinc/31/10/17/1111311017.db2.gz ZZGQNDYZWGATAT-QGZVFWFLSA-N 1 1 316.401 3.445 20 5 DGBDMO CCC[C@H]1CCC[N@H+]([C@@H](C)C(=O)Nc2cccc([N+](=O)[O-])c2)C1 ZINC001307562891 1111314461 /nfs/dbraw/zinc/31/44/61/1111314461.db2.gz HZOCECXLTPJLTO-KBPBESRZSA-N 1 1 319.405 3.434 20 5 DGBDMO CCC[C@H]1CCC[N@H+]([C@@H](C)C(=O)Nc2ccc([N+](=O)[O-])cc2)C1 ZINC001307563495 1111314501 /nfs/dbraw/zinc/31/45/01/1111314501.db2.gz NLHNPTPWAVWLBI-KBPBESRZSA-N 1 1 319.405 3.434 20 5 DGBDMO Cc1ccc([N+](=O)[O-])cc1[C@@H](C)[N@H+]1CC[C@H](c2ncccn2)C1 ZINC001308115319 1111380402 /nfs/dbraw/zinc/38/04/02/1111380402.db2.gz UUUSVFMISUMZLB-KGLIPLIRSA-N 1 1 312.373 3.244 20 5 DGBDMO COc1c(O)ccc(C[N@@H+](CCC2CC2)CC2CC2)c1[N+](=O)[O-] ZINC001308875553 1111487537 /nfs/dbraw/zinc/48/75/37/1111487537.db2.gz WCDBNMPZKYKNEP-UHFFFAOYSA-N 1 1 320.389 3.321 20 5 DGBDMO Cc1c[nH+]ccc1OC1CCN(c2ccc([N+](=O)[O-])cc2)CC1 ZINC000278423894 214142968 /nfs/dbraw/zinc/14/29/68/214142968.db2.gz IVVPWHSVRQFWBY-UHFFFAOYSA-N 1 1 313.357 3.346 20 5 DGBDMO CCc1ccc([C@@H]([NH2+]C[C@H](C)OC)c2ccc([N+](=O)[O-])cc2)o1 ZINC000443194975 529712332 /nfs/dbraw/zinc/71/23/32/529712332.db2.gz QFMAOOUGLYBZLX-SJCJKPOMSA-N 1 1 318.373 3.464 20 5 DGBDMO CO[C@H]1CCC[N@@H+](Cc2ccc(-c3ccc([N+](=O)[O-])cc3)o2)C1 ZINC000130261921 432019466 /nfs/dbraw/zinc/01/94/66/432019466.db2.gz CVWCOMFBZONSCL-HNNXBMFYSA-N 1 1 316.357 3.466 20 5 DGBDMO CC[C@H]1CCCCC[N@H+]1CC(=O)Nc1ccccc1[N+](=O)[O-] ZINC000150745458 186062507 /nfs/dbraw/zinc/06/25/07/186062507.db2.gz FEFFPEIJMHHNPN-ZDUSSCGKSA-N 1 1 305.378 3.188 20 5 DGBDMO C[C@H](c1nnc(-c2ccc([N+](=O)[O-])cc2)o1)[N@H+]1C[C@H](C)[C@H](C)C1 ZINC000267835704 186371248 /nfs/dbraw/zinc/37/12/48/186371248.db2.gz SGNSAGPXXMJSNL-GRYCIOLGSA-N 1 1 316.361 3.294 20 5 DGBDMO CC[C@@]1(C)CCC[N@@H+](CC(=O)N(C)c2ccc([N+](=O)[O-])cc2)C1 ZINC000072802708 191229569 /nfs/dbraw/zinc/22/95/69/191229569.db2.gz CZKWLYZNLJXFFR-KRWDZBQOSA-N 1 1 319.405 3.070 20 5 DGBDMO C[C@H](c1nnc(-c2ccc([N+](=O)[O-])cc2)o1)[N@H+]1CCC(C)(C)C1 ZINC000072827733 191234886 /nfs/dbraw/zinc/23/48/86/191234886.db2.gz GIEUQHGECBIJTM-LLVKDONJSA-N 1 1 316.361 3.438 20 5 DGBDMO Cc1cc[nH+]c(N[C@H]2CCCC[C@@H]2n2ccc([N+](=O)[O-])n2)c1 ZINC000331891250 234243389 /nfs/dbraw/zinc/24/33/89/234243389.db2.gz KAYQTQVGLVXNCV-STQMWFEESA-N 1 1 301.350 3.091 20 5 DGBDMO COCc1cc([N+](=O)[O-])ccc1NCCCCn1cc[nH+]c1C ZINC000080648865 192178915 /nfs/dbraw/zinc/17/89/15/192178915.db2.gz RSXYANITAGFUIQ-UHFFFAOYSA-N 1 1 318.377 3.138 20 5 DGBDMO O=C(Nc1cc(F)cc([N+](=O)[O-])c1)[C@H]1CCC[N@H+]1C1CCCC1 ZINC000331966343 234331399 /nfs/dbraw/zinc/33/13/99/234331399.db2.gz IOKWZDLNXVQURB-OAHLLOKOSA-N 1 1 321.352 3.079 20 5 DGBDMO Cc1ccc([C@@H]2CCCCC[N@H+]2CCn2cc([N+](=O)[O-])cn2)o1 ZINC000174871045 198396130 /nfs/dbraw/zinc/39/61/30/198396130.db2.gz IIWXWMJEYSEBCW-HNNXBMFYSA-N 1 1 318.377 3.310 20 5 DGBDMO COc1cccc(C[NH2+][C@H](C)c2ccc(C)c([N+](=O)[O-])c2)n1 ZINC000178754369 198924646 /nfs/dbraw/zinc/92/46/46/198924646.db2.gz XFTPKEJVHWBHDC-GFCCVEGCSA-N 1 1 301.346 3.158 20 5 DGBDMO CCn1nccc1C[N@H+](Cc1ccc([N+](=O)[O-])cc1)C(C)C ZINC000179320394 199015174 /nfs/dbraw/zinc/01/51/74/199015174.db2.gz PSQZRZLUDUWSHF-UHFFFAOYSA-N 1 1 302.378 3.222 20 5 DGBDMO CCn1nccc1C[N@@H+](Cc1ccc([N+](=O)[O-])cc1)C(C)C ZINC000179320394 199015175 /nfs/dbraw/zinc/01/51/75/199015175.db2.gz PSQZRZLUDUWSHF-UHFFFAOYSA-N 1 1 302.378 3.222 20 5 DGBDMO C[C@H](O)[C@H]1CC[N@@H+](Cc2ccc(-c3cccc([N+](=O)[O-])c3)o2)C1 ZINC000180857971 199218908 /nfs/dbraw/zinc/21/89/08/199218908.db2.gz HCHDZUXZMGHZND-JSGCOSHPSA-N 1 1 316.357 3.058 20 5 DGBDMO CS[C@@H]1CCCC[N@@H+](CCOc2ccccc2[N+](=O)[O-])C1 ZINC000134588100 432081201 /nfs/dbraw/zinc/08/12/01/432081201.db2.gz NWBYEDJNYZLYMZ-CYBMUJFWSA-N 1 1 310.419 3.191 20 5 DGBDMO CCC[N@@H+](Cc1nnc(-c2ccc([N+](=O)[O-])cc2)o1)C1CC1 ZINC000170900794 432086858 /nfs/dbraw/zinc/08/68/58/432086858.db2.gz QDYYWMNMTFPTDP-UHFFFAOYSA-N 1 1 302.334 3.019 20 5 DGBDMO O=[N+]([O-])c1ccccc1/C=C\C[N@H+]1CCC[C@@H](OCC2CC2)C1 ZINC000428385918 238018543 /nfs/dbraw/zinc/01/85/43/238018543.db2.gz CBVBLXDIDCOEDA-GPCFVJJQSA-N 1 1 316.401 3.499 20 5 DGBDMO C[C@H](c1ccccc1[N+](=O)[O-])N1CC[N@H+]([C@@H]2C[C@H]2C)C[C@H](C)C1 ZINC000428997445 238037106 /nfs/dbraw/zinc/03/71/06/238037106.db2.gz CMSWLDOVWUEZAY-ATNYBXOESA-N 1 1 317.433 3.318 20 5 DGBDMO Cc1c(CN2CC[N@H+]([C@@H]3C[C@@H]3C)C[C@@H](C)C2)cccc1[N+](=O)[O-] ZINC000429030866 238039255 /nfs/dbraw/zinc/03/92/55/238039255.db2.gz RYVULNDZTHURQM-SUNYJGFJSA-N 1 1 317.433 3.065 20 5 DGBDMO COc1cc([N+](=O)[O-])ccc1C[N@H+](C)CCOc1ccccc1 ZINC000430202183 238070521 /nfs/dbraw/zinc/07/05/21/238070521.db2.gz LSARVAFQPSMVSO-UHFFFAOYSA-N 1 1 316.357 3.114 20 5 DGBDMO COc1cc([N+](=O)[O-])ccc1C[N@@H+](C)CCOc1ccccc1 ZINC000430202183 238070522 /nfs/dbraw/zinc/07/05/22/238070522.db2.gz LSARVAFQPSMVSO-UHFFFAOYSA-N 1 1 316.357 3.114 20 5 DGBDMO COc1cc([N+](=O)[O-])ccc1C[N@H+]1CC[C@@H]1Cc1ccccc1 ZINC000430203569 238070806 /nfs/dbraw/zinc/07/08/06/238070806.db2.gz OXQANGLTPIHEFF-MRXNPFEDSA-N 1 1 312.369 3.420 20 5 DGBDMO COc1cc([N+](=O)[O-])ccc1C[N@H+]1CCCC[C@@H](SC)C1 ZINC000430212296 238071393 /nfs/dbraw/zinc/07/13/93/238071393.db2.gz LUINEYUOIIDFQG-CQSZACIVSA-N 1 1 310.419 3.321 20 5 DGBDMO COc1cc([N+](=O)[O-])ccc1C[N@@H+]1CCc2cccc(C)c2C1 ZINC000430231391 238071813 /nfs/dbraw/zinc/07/18/13/238071813.db2.gz CFBWRDGAXDWXIT-UHFFFAOYSA-N 1 1 312.369 3.470 20 5 DGBDMO COc1cc([N+](=O)[O-])ccc1C[N@H+]1CCc2cccc(C)c2C1 ZINC000430231391 238071814 /nfs/dbraw/zinc/07/18/14/238071814.db2.gz CFBWRDGAXDWXIT-UHFFFAOYSA-N 1 1 312.369 3.470 20 5 DGBDMO O=[N+]([O-])c1ccccc1C[N@@H+](CCC1CCOCC1)C1CC1 ZINC000432776823 238135612 /nfs/dbraw/zinc/13/56/12/238135612.db2.gz RATYTOYGCPCNBB-UHFFFAOYSA-N 1 1 304.390 3.376 20 5 DGBDMO C[C@H]1CN(Cc2ccc([N+](=O)[O-])cc2F)CC[N@H+](C2CCC2)C1 ZINC000292440377 223080539 /nfs/dbraw/zinc/08/05/39/223080539.db2.gz WYAWAJVIHMBXNK-ZDUSSCGKSA-N 1 1 321.396 3.040 20 5 DGBDMO O=[N+]([O-])c1ccc(CC[N@@H+]2CCOc3c(F)cccc3C2)cc1 ZINC000434618530 238218731 /nfs/dbraw/zinc/21/87/31/238218731.db2.gz XENOPDHRNLDMSN-UHFFFAOYSA-N 1 1 316.332 3.171 20 5 DGBDMO O=[N+]([O-])c1ccc(CC[N@H+]2CCOc3c(F)cccc3C2)cc1 ZINC000434618530 238218735 /nfs/dbraw/zinc/21/87/35/238218735.db2.gz XENOPDHRNLDMSN-UHFFFAOYSA-N 1 1 316.332 3.171 20 5 DGBDMO C[C@@]1(CCCO)CCC[N@H+]1Cc1cc([N+](=O)[O-])ccc1Cl ZINC000271884451 209294591 /nfs/dbraw/zinc/29/45/91/209294591.db2.gz AAVJCIVSJMBNJX-HNNXBMFYSA-N 1 1 312.797 3.375 20 5 DGBDMO CC(C)[N@H+](CC(=O)Nc1ccccc1[N+](=O)[O-])CC1CCC1 ZINC000193217546 201008639 /nfs/dbraw/zinc/00/86/39/201008639.db2.gz LRHBVFNHVYTKQH-UHFFFAOYSA-N 1 1 305.378 3.044 20 5 DGBDMO CC[C@@H](NC[C@@H]1CC[N@@H+](C2CC2)C1)c1cccc([N+](=O)[O-])c1 ZINC000193507156 201065756 /nfs/dbraw/zinc/06/57/56/201065756.db2.gz HAAIYCMPDPDLNL-SUMWQHHRSA-N 1 1 303.406 3.120 20 5 DGBDMO CC[C@@H](NC[C@@H]1CC[N@H+](C2CC2)C1)c1cccc([N+](=O)[O-])c1 ZINC000193507156 201065759 /nfs/dbraw/zinc/06/57/59/201065759.db2.gz HAAIYCMPDPDLNL-SUMWQHHRSA-N 1 1 303.406 3.120 20 5 DGBDMO CC[C@@H]([NH2+]C[C@@H]1CCN(C2CC2)C1)c1cccc([N+](=O)[O-])c1 ZINC000193507156 201065763 /nfs/dbraw/zinc/06/57/63/201065763.db2.gz HAAIYCMPDPDLNL-SUMWQHHRSA-N 1 1 303.406 3.120 20 5 DGBDMO COc1ccc(OCC[N@@H+](C)[C@@H]2CCC[C@@H](C)C2)c([N+](=O)[O-])c1 ZINC000441184691 239017539 /nfs/dbraw/zinc/01/75/39/239017539.db2.gz WQEAYPCATBGIOS-ZIAGYGMSSA-N 1 1 322.405 3.493 20 5 DGBDMO COc1ccc(OCC[N@H+]2CCC[C@@H]3CCC[C@@H]32)c([N+](=O)[O-])c1 ZINC000441451919 239055060 /nfs/dbraw/zinc/05/50/60/239055060.db2.gz OJXSABLYARKABQ-ZFWWWQNUSA-N 1 1 320.389 3.247 20 5 DGBDMO C[C@H](O)[C@@H]1C[C@H](C)CC[N@H+]1Cc1c(Cl)cccc1[N+](=O)[O-] ZINC000443317500 239191020 /nfs/dbraw/zinc/19/10/20/239191020.db2.gz XWGDPZBFLPLRTN-ZETOZRRWSA-N 1 1 312.797 3.230 20 5 DGBDMO C[C@@H]1C[N@@H+](Cc2nc3cc([N+](=O)[O-])ccc3[nH]2)[C@H]2CCCC[C@H]12 ZINC000444684374 239323601 /nfs/dbraw/zinc/32/36/01/239323601.db2.gz MDGLHYFJBKFJFG-KFNAQCHYSA-N 1 1 314.389 3.482 20 5 DGBDMO C[C@H]1C[N@H+](Cc2ccc(-c3ccc([N+](=O)[O-])cc3)o2)[C@@H](C)CO1 ZINC000245539344 202526590 /nfs/dbraw/zinc/52/65/90/202526590.db2.gz KVINKXZGGSGAKK-STQMWFEESA-N 1 1 316.357 3.464 20 5 DGBDMO C[C@H]1C[N@@H+](Cc2ccc(-c3ccc([N+](=O)[O-])cc3)o2)[C@@H](C)CO1 ZINC000245539344 202526594 /nfs/dbraw/zinc/52/65/94/202526594.db2.gz KVINKXZGGSGAKK-STQMWFEESA-N 1 1 316.357 3.464 20 5 DGBDMO C[C@@H](Cc1ccccc1[N+](=O)[O-])[NH2+][C@H](CCN(C)C)C(C)(C)C ZINC000449138093 240035258 /nfs/dbraw/zinc/03/52/58/240035258.db2.gz AUACWUULSCOECB-WMLDXEAASA-N 1 1 321.465 3.482 20 5 DGBDMO C=Cn1cc(C[N@@H+]2CCC[C@@H](c3ccc([N+](=O)[O-])cc3)C2)cn1 ZINC000449500836 240249182 /nfs/dbraw/zinc/24/91/82/240249182.db2.gz ODYXWTHPDGFPQK-MRXNPFEDSA-N 1 1 312.373 3.271 20 5 DGBDMO O=[N+]([O-])c1ccc([C@H]2CCC[N@@H+](CC[C@H]3CCOC3)C2)cc1 ZINC000449504863 240253128 /nfs/dbraw/zinc/25/31/28/240253128.db2.gz WJBGRLIRQDZBBK-HOCLYGCPSA-N 1 1 304.390 3.201 20 5 DGBDMO C[C@H](c1ccccn1)[N@@H+](C)CCCOc1ccc([N+](=O)[O-])cc1 ZINC000091701938 193094059 /nfs/dbraw/zinc/09/40/59/193094059.db2.gz BSDPVBQMAWSJMM-CQSZACIVSA-N 1 1 315.373 3.452 20 5 DGBDMO Cc1ccc([N+](=O)[O-])cc1[C@H](C)N1CC[N@H+](C2CC2)C[C@@H](C)C1 ZINC000451091940 241003495 /nfs/dbraw/zinc/00/34/95/241003495.db2.gz KVHBBCTYXHTUSM-ZFWWWQNUSA-N 1 1 317.433 3.380 20 5 DGBDMO Cc1ccc([N+](=O)[O-])cc1[C@H](C)[N@@H+]1CCN(C2CC2)C[C@@H](C)C1 ZINC000451091940 241003498 /nfs/dbraw/zinc/00/34/98/241003498.db2.gz KVHBBCTYXHTUSM-ZFWWWQNUSA-N 1 1 317.433 3.380 20 5 DGBDMO Cc1ccc([N+](=O)[O-])cc1[C@H](C)[N@H+]1CCN(C2CC2)C[C@@H](C)C1 ZINC000451091940 241003507 /nfs/dbraw/zinc/00/35/07/241003507.db2.gz KVHBBCTYXHTUSM-ZFWWWQNUSA-N 1 1 317.433 3.380 20 5 DGBDMO C[C@@H]1C[C@H](c2ccccc2)[C@H](C)[N@H+]1Cc1c([N+](=O)[O-])ncn1C ZINC000451187257 241037864 /nfs/dbraw/zinc/03/78/64/241037864.db2.gz PDEPBNQUMFGEPF-IPYPFGDCSA-N 1 1 314.389 3.095 20 5 DGBDMO CC(C)C[C@]1(C)CCC[N@H+]1Cc1ccc(C(N)=O)cc1[N+](=O)[O-] ZINC000451291586 241072457 /nfs/dbraw/zinc/07/24/57/241072457.db2.gz PUJRTEQMQULHKN-KRWDZBQOSA-N 1 1 319.405 3.094 20 5 DGBDMO C[C@H](c1ccccc1[N+](=O)[O-])[N@H+]1CCC[C@@H]1[C@H]1CCC[C@@H]1O ZINC000451421935 241119427 /nfs/dbraw/zinc/11/94/27/241119427.db2.gz QRPMZYDADNHSES-MMTVNHQJSA-N 1 1 304.390 3.281 20 5 DGBDMO C[N@H+](Cc1c(Cl)cccc1[N+](=O)[O-])[C@@H](CO)CC(C)(C)C ZINC000451794553 241238023 /nfs/dbraw/zinc/23/80/23/241238023.db2.gz XLRDDCMHFCADFJ-LLVKDONJSA-N 1 1 314.813 3.477 20 5 DGBDMO C[N@@H+](Cc1c(Cl)cccc1[N+](=O)[O-])[C@@H](CO)CC(C)(C)C ZINC000451794553 241238035 /nfs/dbraw/zinc/23/80/35/241238035.db2.gz XLRDDCMHFCADFJ-LLVKDONJSA-N 1 1 314.813 3.477 20 5 DGBDMO C[N@H+](Cc1c(Cl)cccc1[N+](=O)[O-])[C@H](CO)CC(C)(C)C ZINC000451794554 241238066 /nfs/dbraw/zinc/23/80/66/241238066.db2.gz XLRDDCMHFCADFJ-NSHDSACASA-N 1 1 314.813 3.477 20 5 DGBDMO C[N@@H+](Cc1c(Cl)cccc1[N+](=O)[O-])[C@H](CO)CC(C)(C)C ZINC000451794554 241238070 /nfs/dbraw/zinc/23/80/70/241238070.db2.gz XLRDDCMHFCADFJ-NSHDSACASA-N 1 1 314.813 3.477 20 5 DGBDMO C[C@H](c1nnc(-c2ccc([N+](=O)[O-])cc2)o1)[N@@H+](C)CCC1CC1 ZINC000135287685 432109864 /nfs/dbraw/zinc/10/98/64/432109864.db2.gz CQRNDWKGIKVOQI-LLVKDONJSA-N 1 1 316.361 3.438 20 5 DGBDMO CC[C@H](C)[N@@H+](C)CCNc1ccc([N+](=O)[O-])c(OC(F)F)c1 ZINC000092642858 284007701 /nfs/dbraw/zinc/00/77/01/284007701.db2.gz CWDAQKOYODOCGF-JTQLQIEISA-N 1 1 317.336 3.338 20 5 DGBDMO Cc1ccc([C@@H](C)NCC[N@@H+](C)C2CCCC2)cc1[N+](=O)[O-] ZINC000103715954 284033506 /nfs/dbraw/zinc/03/35/06/284033506.db2.gz OQEMUSNAKIRCJC-CQSZACIVSA-N 1 1 305.422 3.428 20 5 DGBDMO Cc1ccc([C@@H](C)[NH2+]CCN(C)C2CCCC2)cc1[N+](=O)[O-] ZINC000103715954 284033509 /nfs/dbraw/zinc/03/35/09/284033509.db2.gz OQEMUSNAKIRCJC-CQSZACIVSA-N 1 1 305.422 3.428 20 5 DGBDMO CC[C@]1(CO)CCC[N@H+](Cc2cc(Cl)ccc2[N+](=O)[O-])C1 ZINC000275147642 212149910 /nfs/dbraw/zinc/14/99/10/212149910.db2.gz ORGPVYYSELSHRG-HNNXBMFYSA-N 1 1 312.797 3.233 20 5 DGBDMO CC[C@]1(CO)CCC[N@@H+](Cc2cc(Cl)ccc2[N+](=O)[O-])C1 ZINC000275147642 212149911 /nfs/dbraw/zinc/14/99/11/212149911.db2.gz ORGPVYYSELSHRG-HNNXBMFYSA-N 1 1 312.797 3.233 20 5 DGBDMO CC[C@@H](C)[N@H+](C)CCNC/C(C)=C\c1cccc([N+](=O)[O-])c1 ZINC000468647976 244059799 /nfs/dbraw/zinc/05/97/99/244059799.db2.gz IDNAVYREGIBAAE-QKXCFHHRSA-N 1 1 305.422 3.318 20 5 DGBDMO CC[C@@H](C)[N@@H+](C)CCNC/C(C)=C\c1cccc([N+](=O)[O-])c1 ZINC000468647976 244059804 /nfs/dbraw/zinc/05/98/04/244059804.db2.gz IDNAVYREGIBAAE-QKXCFHHRSA-N 1 1 305.422 3.318 20 5 DGBDMO C[N@@H+](CCOc1ccc(F)cc1[N+](=O)[O-])Cc1ccc(F)cc1 ZINC000468509928 244048423 /nfs/dbraw/zinc/04/84/23/244048423.db2.gz BWVHJYYSUDBJAT-UHFFFAOYSA-N 1 1 322.311 3.384 20 5 DGBDMO O=[N+]([O-])c1ccc2c(c1)C[N@H+](CCc1ccccc1F)CC2 ZINC000469161321 244087713 /nfs/dbraw/zinc/08/77/13/244087713.db2.gz XMXMPHIFVINKME-UHFFFAOYSA-N 1 1 300.333 3.335 20 5 DGBDMO C/C(=C\c1cccc([N+](=O)[O-])c1)C[N@H+]1CC[C@H]([C@H]2CCOC2)C1 ZINC000470178925 244156180 /nfs/dbraw/zinc/15/61/80/244156180.db2.gz PVYOXFYNAQKIOM-KMHDYCCVSA-N 1 1 316.401 3.357 20 5 DGBDMO C/C(=C\c1cccc([N+](=O)[O-])c1)C[N@@H+]1C[C@H](C)OC(C)(C)C1 ZINC000470179192 244156925 /nfs/dbraw/zinc/15/69/25/244156925.db2.gz UDCDELSQIFBUJQ-CZAWJFPGSA-N 1 1 304.390 3.497 20 5 DGBDMO CC[C@]1(CO)CCC[N@@H+](C/C(C)=C/c2cccc([N+](=O)[O-])c2)C1 ZINC000470203108 244159046 /nfs/dbraw/zinc/15/90/46/244159046.db2.gz AKAICSUYPALKGW-KAPURRDVSA-N 1 1 318.417 3.483 20 5 DGBDMO CC[C@@H](O)[C@@H]1CCCC[N@H+]1Cc1c(Cl)cccc1[N+](=O)[O-] ZINC000119196668 284137330 /nfs/dbraw/zinc/13/73/30/284137330.db2.gz VNWYDOXOCMOYIA-LSDHHAIUSA-N 1 1 312.797 3.374 20 5 DGBDMO C[C@@H]1[C@H](C)OCC[N@@H+]1Cc1ccc(-c2ccccc2[N+](=O)[O-])o1 ZINC000093418123 193248513 /nfs/dbraw/zinc/24/85/13/193248513.db2.gz GKVUGBPAKPFTTQ-OLZOCXBDSA-N 1 1 316.357 3.464 20 5 DGBDMO C[C@@H]1[C@H](C)OCC[N@H+]1Cc1ccc(-c2ccccc2[N+](=O)[O-])o1 ZINC000093418123 193248515 /nfs/dbraw/zinc/24/85/15/193248515.db2.gz GKVUGBPAKPFTTQ-OLZOCXBDSA-N 1 1 316.357 3.464 20 5 DGBDMO C[N@H+](Cc1ccc(-c2ccccc2[N+](=O)[O-])o1)C[C@@H]1CCOC1 ZINC000093839939 193316071 /nfs/dbraw/zinc/31/60/71/193316071.db2.gz OWNSQWZXEUXVSB-ZDUSSCGKSA-N 1 1 316.357 3.323 20 5 DGBDMO C[N@H+](Cc1ccc(-c2ccccc2[N+](=O)[O-])o1)C[C@H]1CCOC1 ZINC000093839940 193316892 /nfs/dbraw/zinc/31/68/92/193316892.db2.gz OWNSQWZXEUXVSB-CYBMUJFWSA-N 1 1 316.357 3.323 20 5 DGBDMO CCC[C@@H]1CCC[N@H+](CC(=O)Nc2ccccc2[N+](=O)[O-])C1 ZINC000120950098 284182711 /nfs/dbraw/zinc/18/27/11/284182711.db2.gz SDLCWONMLQTFDB-CYBMUJFWSA-N 1 1 305.378 3.045 20 5 DGBDMO CCC[C@@H]1CCC[N@@H+](CC(=O)Nc2ccccc2[N+](=O)[O-])C1 ZINC000120950098 284182713 /nfs/dbraw/zinc/18/27/13/284182713.db2.gz SDLCWONMLQTFDB-CYBMUJFWSA-N 1 1 305.378 3.045 20 5 DGBDMO CCC[C@H]([NH2+]C[C@H]1CCCN(C)C1)c1cccc([N+](=O)[O-])c1 ZINC000121212035 284191322 /nfs/dbraw/zinc/19/13/22/284191322.db2.gz IUWMMRAFSUEMDI-PBHICJAKSA-N 1 1 305.422 3.367 20 5 DGBDMO CCC[C@H](NC[C@H]1CCC[N@H+](C)C1)c1cccc([N+](=O)[O-])c1 ZINC000121212035 284191324 /nfs/dbraw/zinc/19/13/24/284191324.db2.gz IUWMMRAFSUEMDI-PBHICJAKSA-N 1 1 305.422 3.367 20 5 DGBDMO CCC[C@H](NC[C@H]1CCC[N@@H+](C)C1)c1cccc([N+](=O)[O-])c1 ZINC000121212035 284191325 /nfs/dbraw/zinc/19/13/25/284191325.db2.gz IUWMMRAFSUEMDI-PBHICJAKSA-N 1 1 305.422 3.367 20 5 DGBDMO CC(C)(C)OC(=O)C1CC[NH+](Cc2ccc([N+](=O)[O-])cc2)CC1 ZINC000263892829 203622723 /nfs/dbraw/zinc/62/27/23/203622723.db2.gz UTMNMAHDXDMFLT-UHFFFAOYSA-N 1 1 320.389 3.149 20 5 DGBDMO CC(C)[C@H](C[NH2+][C@@H](C)c1ccc([N+](=O)[O-])cc1)N1CCCC1 ZINC000122146498 284214118 /nfs/dbraw/zinc/21/41/18/284214118.db2.gz RFAIQIICTUQSQE-YOEHRIQHSA-N 1 1 305.422 3.366 20 5 DGBDMO COC(=O)[C@@]1(C)CCC[N@H+]([C@H](C)c2cc([N+](=O)[O-])ccc2C)C1 ZINC000412058343 284230185 /nfs/dbraw/zinc/23/01/85/284230185.db2.gz AJYQUZGXXPGHJD-DYVFJYSZSA-N 1 1 320.389 3.239 20 5 DGBDMO COCC[N@@H+](Cc1ccc([N+](=O)[O-])c(OC)c1)[C@H]1CCC[C@@H]1C ZINC000487965850 245130973 /nfs/dbraw/zinc/13/09/73/245130973.db2.gz UUMXQBFEFUQSLB-ZFWWWQNUSA-N 1 1 322.405 3.240 20 5 DGBDMO COCC[N@@H+](Cc1ccc([N+](=O)[O-])c(OC)c1)[C@H]1CCC[C@H]1C ZINC000487965847 245131753 /nfs/dbraw/zinc/13/17/53/245131753.db2.gz UUMXQBFEFUQSLB-HIFRSBDPSA-N 1 1 322.405 3.240 20 5 DGBDMO Cc1cc(N[C@H]2CCn3cc[nH+]c3C2)c2cccc([N+](=O)[O-])c2n1 ZINC000489890134 245358656 /nfs/dbraw/zinc/35/86/56/245358656.db2.gz DITKOKQVJANSHB-LBPRGKRZSA-N 1 1 323.356 3.075 20 5 DGBDMO CC[C@H]1CCCC[N@H+]1CCC(=O)Nc1ccccc1[N+](=O)[O-] ZINC000282697743 217183776 /nfs/dbraw/zinc/18/37/76/217183776.db2.gz OPUCVPKDODXSKG-ZDUSSCGKSA-N 1 1 305.378 3.188 20 5 DGBDMO Cc1nn(C(C)C)cc1C[N@@H+](C)CCc1cccc([N+](=O)[O-])c1 ZINC000282912556 217320423 /nfs/dbraw/zinc/32/04/23/217320423.db2.gz DOOVQTSTTCPXAO-UHFFFAOYSA-N 1 1 316.405 3.355 20 5 DGBDMO O=[N+]([O-])c1ccc(Cl)c(C[N@@H+]2CCC[C@H](c3ncc[nH]3)C2)c1 ZINC000267382147 206025167 /nfs/dbraw/zinc/02/51/67/206025167.db2.gz AXSGZYRPGYMDAV-NSHDSACASA-N 1 1 320.780 3.351 20 5 DGBDMO O=[N+]([O-])c1ccc(Cl)c(C[N@H+]2CCC[C@H](c3ncc[nH]3)C2)c1 ZINC000267382147 206025173 /nfs/dbraw/zinc/02/51/73/206025173.db2.gz AXSGZYRPGYMDAV-NSHDSACASA-N 1 1 320.780 3.351 20 5 DGBDMO Cc1c(C[N@H+]2CCC[C@@H](OCC3CC3)C2)cccc1[N+](=O)[O-] ZINC000494657017 246177095 /nfs/dbraw/zinc/17/70/95/246177095.db2.gz YBDNAIJNYXDHLG-MRXNPFEDSA-N 1 1 304.390 3.294 20 5 DGBDMO Cc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@H+](C)[C@H](C)C1(C)CC1 ZINC000267698050 206225665 /nfs/dbraw/zinc/22/56/65/206225665.db2.gz INEDNKZWEJWPTL-CYBMUJFWSA-N 1 1 319.405 3.352 20 5 DGBDMO Cc1cc(Cl)nc(C[NH2+][C@H](C)c2ccc(N)c([N+](=O)[O-])c2)c1 ZINC000285165553 218315381 /nfs/dbraw/zinc/31/53/81/218315381.db2.gz MRCVNXOMAMRTQL-SNVBAGLBSA-N 1 1 320.780 3.385 20 5 DGBDMO C[C@H]1CCC[C@](C[NH2+]Cc2cccc([N+](=O)[O-])c2)(N(C)C)C1 ZINC000058066178 184072636 /nfs/dbraw/zinc/07/26/36/184072636.db2.gz ZRVDTSJSJGIGSQ-YOEHRIQHSA-N 1 1 305.422 3.195 20 5 DGBDMO C[C@H](c1ccccc1)[N@H+]1CC[C@@H](Nc2ccc([N+](=O)[O-])cn2)C1 ZINC000064915972 184306222 /nfs/dbraw/zinc/30/62/22/184306222.db2.gz PBCVDUJMMPKPIP-UKRRQHHQSA-N 1 1 312.373 3.237 20 5 DGBDMO Cc1c(NC(=O)CC[N@H+](C(C)C)C2CCC2)cccc1[N+](=O)[O-] ZINC000119707732 195022674 /nfs/dbraw/zinc/02/26/74/195022674.db2.gz ZKAAGGOEPBAQQC-UHFFFAOYSA-N 1 1 319.405 3.495 20 5 DGBDMO C[C@H]1CCC[C@H]([N@@H+](C)CCC(=O)Nc2ccccc2[N+](=O)[O-])C1 ZINC000336999641 253034083 /nfs/dbraw/zinc/03/40/83/253034083.db2.gz RFOBTPGIPKQPHT-KBPBESRZSA-N 1 1 319.405 3.434 20 5 DGBDMO CC(C)[C@@H]1CCCC[N@H+]1CCC(=O)Nc1ccccc1[N+](=O)[O-] ZINC000337258616 253072000 /nfs/dbraw/zinc/07/20/00/253072000.db2.gz VGABUXUHBYKPLH-HNNXBMFYSA-N 1 1 319.405 3.434 20 5 DGBDMO O=[N+]([O-])c1cc(Cl)ccc1C[N@H+]1CC[C@H]2OCCC[C@@H]2C1 ZINC000152751202 285088787 /nfs/dbraw/zinc/08/87/87/285088787.db2.gz PAVFIQWESXXNSX-IUODEOHRSA-N 1 1 310.781 3.249 20 5 DGBDMO CCC1(C)CC[NH+](CC(=O)Nc2ccccc2[N+](=O)[O-])CC1 ZINC000337690307 253160035 /nfs/dbraw/zinc/16/00/35/253160035.db2.gz NTIQXCABGDAIIE-UHFFFAOYSA-N 1 1 305.378 3.045 20 5 DGBDMO O=[N+]([O-])c1ccc(C[N@H+]2CCC[C@H](C3CC3)C2)c([N+](=O)[O-])c1 ZINC000289346824 285113023 /nfs/dbraw/zinc/11/30/23/285113023.db2.gz FSAVLFOACFXDAT-LBPRGKRZSA-N 1 1 305.334 3.125 20 5 DGBDMO O=[N+]([O-])c1ccc(N2CC[C@H]3[C@H](CCC[N@H+]3C3CC3)C2)cc1 ZINC000301751542 285130775 /nfs/dbraw/zinc/13/07/75/285130775.db2.gz BCVWXBGWMVVERT-DYVFJYSZSA-N 1 1 301.390 3.048 20 5 DGBDMO COc1ccc(C[NH2+][C@H]2c3ccccc3O[C@@H]2C)cc1[N+](=O)[O-] ZINC000288682548 220344727 /nfs/dbraw/zinc/34/47/27/220344727.db2.gz XFZRDXQORYBVPM-PIGZYNQJSA-N 1 1 314.341 3.215 20 5 DGBDMO COC[C@H]([NH2+]Cc1cccc([N+](=O)[O-])c1)c1ccc(F)cc1 ZINC000342319950 253965254 /nfs/dbraw/zinc/96/52/54/253965254.db2.gz FWUKEMUSQFIGQE-INIZCTEOSA-N 1 1 304.321 3.211 20 5 DGBDMO CC[N@H+]1CCN(c2ccc([N+](=O)[O-])c(C(F)(F)F)c2)[C@H](C)C1 ZINC000343250084 254119970 /nfs/dbraw/zinc/11/99/70/254119970.db2.gz MAHPKLMZMAXZMP-SNVBAGLBSA-N 1 1 317.311 3.144 20 5 DGBDMO CC(=O)c1cc(NC[C@@H]2[N@@H+](C)CCCC2(C)C)ccc1[N+](=O)[O-] ZINC000343051281 254091185 /nfs/dbraw/zinc/09/11/85/254091185.db2.gz FZKOQGFHNRJZTF-INIZCTEOSA-N 1 1 319.405 3.330 20 5 DGBDMO COCC[N@@H+](CCc1ccccc1)Cc1ccc([N+](=O)[O-])cc1 ZINC000343105590 254100711 /nfs/dbraw/zinc/10/07/11/254100711.db2.gz VHNZWCBTKLDQCG-UHFFFAOYSA-N 1 1 314.385 3.286 20 5 DGBDMO O=[N+]([O-])c1ccccc1/C=C\C[N@@H+](C[C@H]1CCOC1)C1CC1 ZINC000255670456 285172468 /nfs/dbraw/zinc/17/24/68/285172468.db2.gz OEZMTDWKMVNHDH-PKXJPQMGSA-N 1 1 302.374 3.109 20 5 DGBDMO CC[C@@H](C)C[N@@H+](CC)[C@@H](C)C(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000343678204 254176789 /nfs/dbraw/zinc/17/67/89/254176789.db2.gz COQBDVUROZYMMC-OLZOCXBDSA-N 1 1 307.394 3.290 20 5 DGBDMO CCC[C@@H](C)[N@@H+](C)CCCn1c(=O)oc2ccc([N+](=O)[O-])cc21 ZINC000343688061 254178201 /nfs/dbraw/zinc/17/82/01/254178201.db2.gz KHSXWRKDCZUSCZ-GFCCVEGCSA-N 1 1 321.377 3.013 20 5 DGBDMO O=[N+]([O-])c1ccccc1/C=C\C[N@H+](CCO)C1CCCCC1 ZINC000255738931 285177770 /nfs/dbraw/zinc/17/77/70/285177770.db2.gz LCSUWPXRCQYPKT-VURMDHGXSA-N 1 1 304.390 3.235 20 5 DGBDMO C[C@@H](C(=O)Nc1ccccc1[N+](=O)[O-])[N@@H+](C)C[C@H]1CC=CCC1 ZINC000344061829 254219092 /nfs/dbraw/zinc/21/90/92/254219092.db2.gz MUORRQJMYLGXTL-KBPBESRZSA-N 1 1 317.389 3.210 20 5 DGBDMO CC[C@]1(C)CC[N@@H+](CCC(=O)Nc2ccc([N+](=O)[O-])cc2C)C1 ZINC000344229438 254242397 /nfs/dbraw/zinc/24/23/97/254242397.db2.gz HIUZIMBVIQFGLT-QGZVFWFLSA-N 1 1 319.405 3.354 20 5 DGBDMO CC[C@]1(C)CC[N@@H+](CCC(=O)Nc2ccc([N+](=O)[O-])cc2)C1 ZINC000344239428 254243212 /nfs/dbraw/zinc/24/32/12/254243212.db2.gz LQMLIGNZACEJPT-MRXNPFEDSA-N 1 1 305.378 3.045 20 5 DGBDMO Cc1ccccc1OCC[N@H+](C)Cc1ccc([N+](=O)[O-])cc1 ZINC000302802127 285278853 /nfs/dbraw/zinc/27/88/53/285278853.db2.gz BREYNOQPQUXPAS-UHFFFAOYSA-N 1 1 300.358 3.414 20 5 DGBDMO Cc1cnn([C@H]2CC[N@H+](Cc3cc(Cl)ccc3[N+](=O)[O-])C2)c1 ZINC000289699928 221165027 /nfs/dbraw/zinc/16/50/27/221165027.db2.gz BSPDKESKPICOAM-AWEZNQCLSA-N 1 1 320.780 3.200 20 5 DGBDMO Cc1cnn([C@H]2CC[N@@H+](Cc3cc(Cl)ccc3[N+](=O)[O-])C2)c1 ZINC000289699928 221165028 /nfs/dbraw/zinc/16/50/28/221165028.db2.gz BSPDKESKPICOAM-AWEZNQCLSA-N 1 1 320.780 3.200 20 5 DGBDMO O=[N+]([O-])c1cc(F)c(NCCc2cn3c([nH+]2)CCCC3)c(F)c1 ZINC000121682844 195329123 /nfs/dbraw/zinc/32/91/23/195329123.db2.gz HCLPEJFTUMGBMY-UHFFFAOYSA-N 1 1 322.315 3.060 20 5 DGBDMO C/C(=C\c1cccc([N+](=O)[O-])c1)CN(C)C[C@H]1CCC[N@H+](C)C1 ZINC000470169721 533407150 /nfs/dbraw/zinc/40/71/50/533407150.db2.gz IFJGDWHLZYVMCZ-OBHPCNEJSA-N 1 1 317.433 3.272 20 5 DGBDMO C/C(=C\c1cccc([N+](=O)[O-])c1)CN(C)C[C@H]1CCC[N@@H+](C)C1 ZINC000470169721 533407155 /nfs/dbraw/zinc/40/71/55/533407155.db2.gz IFJGDWHLZYVMCZ-OBHPCNEJSA-N 1 1 317.433 3.272 20 5 DGBDMO C/C(=C\c1cccc([N+](=O)[O-])c1)C[N@@H+](C)C[C@H]1CCCN(C)C1 ZINC000470169721 533407159 /nfs/dbraw/zinc/40/71/59/533407159.db2.gz IFJGDWHLZYVMCZ-OBHPCNEJSA-N 1 1 317.433 3.272 20 5 DGBDMO C/C(=C\c1cccc([N+](=O)[O-])c1)C[N@H+](C)C[C@H]1CCCN(C)C1 ZINC000470169721 533407163 /nfs/dbraw/zinc/40/71/63/533407163.db2.gz IFJGDWHLZYVMCZ-OBHPCNEJSA-N 1 1 317.433 3.272 20 5 DGBDMO C/C(=C\c1cccc([N+](=O)[O-])c1)CNCC[N@H+]1CCC[C@H](C)C1 ZINC000468636381 533408225 /nfs/dbraw/zinc/40/82/25/533408225.db2.gz AGBKSCZSGKCWQN-KFXIKWRMSA-N 1 1 317.433 3.320 20 5 DGBDMO C/C(=C\c1cccc([N+](=O)[O-])c1)CNCC[N@@H+]1CCC[C@H](C)C1 ZINC000468636381 533408232 /nfs/dbraw/zinc/40/82/32/533408232.db2.gz AGBKSCZSGKCWQN-KFXIKWRMSA-N 1 1 317.433 3.320 20 5 DGBDMO COc1cccc(NC[C@H]2CCCC[N@H+]2C2CC2)c1[N+](=O)[O-] ZINC000433809664 533618861 /nfs/dbraw/zinc/61/88/61/533618861.db2.gz WCJCUFHRNLBABK-CYBMUJFWSA-N 1 1 305.378 3.032 20 5 DGBDMO CC[C@@H](C)CC[NH2+][C@H](c1nccn1C)c1ccc([N+](=O)[O-])cc1 ZINC000595071192 400098293 /nfs/dbraw/zinc/09/82/93/400098293.db2.gz ASBKSXKWUSYVBS-CJNGLKHVSA-N 1 1 316.405 3.444 20 5 DGBDMO C[C@@H](c1nnc(-c2ccc([N+](=O)[O-])cc2)o1)[N@H+]1CCC[C@H](C)C1 ZINC000007340594 400102585 /nfs/dbraw/zinc/10/25/85/400102585.db2.gz OYEXZCPTXPLTBL-RYUDHWBXSA-N 1 1 316.361 3.438 20 5 DGBDMO O=c1cc(C[N@@H+]2CCC[C@H](CO)C2)c2c(ccc3ccccc32)o1 ZINC000007449616 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3.205 20 5 DGBDMO Cc1noc(C[N@H+]2CC[C@@H](c3ccc(F)cc3)C2)c1[N+](=O)[O-] ZINC000595338202 400130935 /nfs/dbraw/zinc/13/09/35/400130935.db2.gz HERWCDIDEWGRNZ-GFCCVEGCSA-N 1 1 305.309 3.020 20 5 DGBDMO O=[N+]([O-])c1cnc2c(c1)C[N@H+](CC[C@@H]1CCc3ccccc31)CC2 ZINC000595424443 400145310 /nfs/dbraw/zinc/14/53/10/400145310.db2.gz MQUDQBLXVOUNMS-HNNXBMFYSA-N 1 1 323.396 3.468 20 5 DGBDMO CC[C@@H]1Cc2ccccc2C[N@@H+]1Cc1onc(C)c1[N+](=O)[O-] ZINC000595440422 400151004 /nfs/dbraw/zinc/15/10/04/400151004.db2.gz JIQORAMGUHZWCU-CQSZACIVSA-N 1 1 301.346 3.228 20 5 DGBDMO CC[C@@H]1Cc2ccccc2C[N@H+]1Cc1onc(C)c1[N+](=O)[O-] ZINC000595440422 400151009 /nfs/dbraw/zinc/15/10/09/400151009.db2.gz JIQORAMGUHZWCU-CQSZACIVSA-N 1 1 301.346 3.228 20 5 DGBDMO COCC[C@H]1CCCC[N@@H+](Cc2ccc(F)cc2[N+](=O)[O-])C1 ZINC000595442469 400152112 /nfs/dbraw/zinc/15/21/12/400152112.db2.gz SARFYBIIPZNXGY-CYBMUJFWSA-N 1 1 310.369 3.373 20 5 DGBDMO CC(C)[N@H+]1CC[C@H](CNc2ccc([N+](=O)[O-])c3ncccc23)C1 ZINC000320350297 400165667 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3.115 20 5 DGBDMO CC(C)[N@H+]1CCC[C@@H](CNc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])C1 ZINC000069064175 400308936 /nfs/dbraw/zinc/30/89/36/400308936.db2.gz GDQHFNONHPJPHD-LBPRGKRZSA-N 1 1 322.365 3.035 20 5 DGBDMO CC[N@@H+](CCNc1cc(OC)c([N+](=O)[O-])cc1Cl)C1CC1 ZINC000596109150 400319349 /nfs/dbraw/zinc/31/93/49/400319349.db2.gz LEIAPCFICOJCBV-UHFFFAOYSA-N 1 1 313.785 3.153 20 5 DGBDMO CC[C@H]1CCC[N@H+]([C@@H](C)C(=O)Nc2cccc([N+](=O)[O-])c2)C1 ZINC000030142145 400321136 /nfs/dbraw/zinc/32/11/36/400321136.db2.gz NCNSCXUYQSVJSK-STQMWFEESA-N 1 1 305.378 3.044 20 5 DGBDMO O=[N+]([O-])c1ccc(C[N@H+]2CCC[C@H]([C@@H]3CCCCO3)C2)cc1 ZINC000595789797 400261057 /nfs/dbraw/zinc/26/10/57/400261057.db2.gz OKQYKUFFVRSAKL-RDJZCZTQSA-N 1 1 304.390 3.376 20 5 DGBDMO O=[N+]([O-])c1ccc(CC[N@H+]2CCC[C@@H](C[C@H]3CCOC3)C2)cc1 ZINC000611350376 400383148 /nfs/dbraw/zinc/38/31/48/400383148.db2.gz KIQHTTVFNFYOFN-DLBZAZTESA-N 1 1 318.417 3.276 20 5 DGBDMO Cc1cc(N2CC[C@@H](C[N@@H+](C)CC3CC3)C2)c([N+](=O)[O-])s1 ZINC000596146504 400330015 /nfs/dbraw/zinc/33/00/15/400330015.db2.gz CEDVDBSIGMLJNL-ZDUSSCGKSA-N 1 1 309.435 3.133 20 5 DGBDMO Cc1cc(N2CC[C@H]3[C@H](CCC[N@H+]3C3CC3)C2)c([N+](=O)[O-])s1 ZINC000596170870 400339149 /nfs/dbraw/zinc/33/91/49/400339149.db2.gz YKLFVZIOMBPUHG-OCCSQVGLSA-N 1 1 321.446 3.418 20 5 DGBDMO Cc1cc(C[NH2+]Cc2ccc(-c3cccc([N+](=O)[O-])c3)o2)ncn1 ZINC000611134792 400349158 /nfs/dbraw/zinc/34/91/58/400349158.db2.gz XKHTWWHQRLILBK-UHFFFAOYSA-N 1 1 324.340 3.243 20 5 DGBDMO COc1ccc(OC[C@@H]2CCCC[N@H+]2C(C)C)c([N+](=O)[O-])c1 ZINC000596239701 400357976 /nfs/dbraw/zinc/35/79/76/400357976.db2.gz JYWSBKZKIGRFRA-ZDUSSCGKSA-N 1 1 308.378 3.245 20 5 DGBDMO CC(C)(C)[C@@H]1CCC[N@H+]1Cc1cc2c(cc1[N+](=O)[O-])OCCO2 ZINC000611268330 400370205 /nfs/dbraw/zinc/37/02/05/400370205.db2.gz YWQPHSYKAJDUTN-INIZCTEOSA-N 1 1 320.389 3.377 20 5 DGBDMO C[C@H]1COCCC[N@H+]1Cc1ccc(-c2ccccc2[N+](=O)[O-])o1 ZINC000611272347 400371228 /nfs/dbraw/zinc/37/12/28/400371228.db2.gz ANEBNYVQLZNMPZ-ZDUSSCGKSA-N 1 1 316.357 3.466 20 5 DGBDMO O=[N+]([O-])c1ccsc1N1CC[NH+](CCc2ccccc2)CC1 ZINC000611289951 400374100 /nfs/dbraw/zinc/37/41/00/400374100.db2.gz FIWYNDPZRQFRPX-UHFFFAOYSA-N 1 1 317.414 3.021 20 5 DGBDMO CC(C)(C)[N@H+]1CC[C@H](CNc2ncc(Cl)cc2[N+](=O)[O-])C1 ZINC000596305815 400374958 /nfs/dbraw/zinc/37/49/58/400374958.db2.gz APPUDKWYRHZBSN-SNVBAGLBSA-N 1 1 312.801 3.176 20 5 DGBDMO COc1ccc([N+](=O)[O-])c(OC[C@@H]2CCCC[N@H+]2C(C)C)c1 ZINC000596306063 400375745 /nfs/dbraw/zinc/37/57/45/400375745.db2.gz YOEPGNPDLFSWMT-ZDUSSCGKSA-N 1 1 308.378 3.245 20 5 DGBDMO O=[N+]([O-])c1ccsc1NC1CC[NH+](Cc2ccncc2)CC1 ZINC000611411842 400396073 /nfs/dbraw/zinc/39/60/73/400396073.db2.gz UOUVSPSRQCYCEW-UHFFFAOYSA-N 1 1 318.402 3.128 20 5 DGBDMO CN(C)CC[C@H]([NH2+]CCc1ccc([N+](=O)[O-])cc1)C(C)(C)C ZINC000611521955 400415203 /nfs/dbraw/zinc/41/52/03/400415203.db2.gz CYDDPPVAPLRMLT-INIZCTEOSA-N 1 1 307.438 3.093 20 5 DGBDMO CCOCCC[N@H+]1CC[C@H](Nc2ccccc2[N+](=O)[O-])[C@H](C)C1 ZINC000115521459 400399122 /nfs/dbraw/zinc/39/91/22/400399122.db2.gz VXTWQDKZJJFTKD-CABCVRRESA-N 1 1 321.421 3.144 20 5 DGBDMO CC[C@@H]1CCC[N@@H+](Cc2cc([N+](=O)[O-])cc3c2OCOC3)CC1 ZINC000117344881 400416395 /nfs/dbraw/zinc/41/63/95/400416395.db2.gz UVFTYRIZPBPBCA-CYBMUJFWSA-N 1 1 320.389 3.473 20 5 DGBDMO CCC[N@H+]1CC[C@H](Nc2ccc(C(=O)CC)cc2[N+](=O)[O-])C1 ZINC000596518012 400435677 /nfs/dbraw/zinc/43/56/77/400435677.db2.gz SIVYZKRIEBMBMO-ZDUSSCGKSA-N 1 1 305.378 3.084 20 5 DGBDMO CCO[C@@H]1CC[N@@H+](CCCOc2ccc([N+](=O)[O-])cc2)C[C@@H]1C ZINC000590756970 400429471 /nfs/dbraw/zinc/42/94/71/400429471.db2.gz VDXOZKGRJABSTD-WMLDXEAASA-N 1 1 322.405 3.111 20 5 DGBDMO O=[N+]([O-])c1ccsc1NC[C@H]1CC[N@@H+]1Cc1ccccc1 ZINC000596558071 400444500 /nfs/dbraw/zinc/44/45/00/400444500.db2.gz MKNIXCGAMDZBAA-CYBMUJFWSA-N 1 1 303.387 3.343 20 5 DGBDMO O=[N+]([O-])c1ccsc1NC[C@H]1CC[N@H+]1Cc1ccccc1 ZINC000596558071 400444504 /nfs/dbraw/zinc/44/45/04/400444504.db2.gz MKNIXCGAMDZBAA-CYBMUJFWSA-N 1 1 303.387 3.343 20 5 DGBDMO O=[N+]([O-])c1ccc(C[N@H+](CCO)[C@H]2CCc3ccccc32)cc1 ZINC000074311676 400503418 /nfs/dbraw/zinc/50/34/18/400503418.db2.gz JXQJOCMBQWYVFW-SFHVURJKSA-N 1 1 312.369 3.077 20 5 DGBDMO O=C(CC[N@H+]1CC[C@H](C2CCC2)C1)Nc1ccc([N+](=O)[O-])cc1 ZINC000591061638 400480955 /nfs/dbraw/zinc/48/09/55/400480955.db2.gz AXQVDNLRNOEBCM-AWEZNQCLSA-N 1 1 317.389 3.045 20 5 DGBDMO C[C@@H]1C[C@@H](Nc2ccc3ncccc3c2[N+](=O)[O-])C[N@H+]1C1CC1 ZINC000133492141 400571025 /nfs/dbraw/zinc/57/10/25/400571025.db2.gz FPJIIUFXQUUNPF-VXGBXAGGSA-N 1 1 312.373 3.180 20 5 DGBDMO O=[N+]([O-])c1ccc2oc(C[N@H+]3C[C@@H](C4CC4)[C@H]3C3CC3)nc2c1 ZINC000602683660 400537593 /nfs/dbraw/zinc/53/75/93/400537593.db2.gz QWTZGYNBAAYRFP-SUMWQHHRSA-N 1 1 313.357 3.356 20 5 DGBDMO Cc1cc(C[NH2+]Cc2nc3cc([N+](=O)[O-])ccc3o2)cc(C)n1 ZINC000602696136 400542210 /nfs/dbraw/zinc/54/22/10/400542210.db2.gz DVLXJDDBGXVGGE-UHFFFAOYSA-N 1 1 312.329 3.038 20 5 DGBDMO Cc1ncc([N+](=O)[O-])n1CC[N@H+]1CCC[C@@H]1c1ccc(C)cc1 ZINC000602756907 400565326 /nfs/dbraw/zinc/56/53/26/400565326.db2.gz AYRRLNOORDKWFB-MRXNPFEDSA-N 1 1 314.389 3.245 20 5 DGBDMO Cc1ncc([N+](=O)[O-])n1CC[N@@H+]1CC[C@H](C)[C@@H]2CCCC[C@@H]21 ZINC000602764845 400567452 /nfs/dbraw/zinc/56/74/52/400567452.db2.gz ZSMHBRMAFVBXOJ-QEJZJMRPSA-N 1 1 306.410 3.000 20 5 DGBDMO C[N@@H+](Cc1ccccc1[N+](=O)[O-])[C@@H](CCO)c1ccccc1 ZINC000075899868 400620903 /nfs/dbraw/zinc/62/09/03/400620903.db2.gz IOEQOWOODBKXSL-INIZCTEOSA-N 1 1 300.358 3.150 20 5 DGBDMO CSC[C@H]1CCC[N@H+]1CCCOc1ccc([N+](=O)[O-])cc1 ZINC000135477445 400586773 /nfs/dbraw/zinc/58/67/73/400586773.db2.gz CIEURLDVHRZIKA-CQSZACIVSA-N 1 1 310.419 3.191 20 5 DGBDMO C/C(=C\c1cccc([N+](=O)[O-])c1)C[N@H+]1CCC[C@@](O)(C2CC2)C1 ZINC000597203960 400587550 /nfs/dbraw/zinc/58/75/50/400587550.db2.gz AZIBEFYUSFTBLO-MDNBWPLSSA-N 1 1 316.401 3.235 20 5 DGBDMO C/C(=C/c1cccc([N+](=O)[O-])c1)C[N@H+](C)CC1=CCCOC1 ZINC000597205028 400587573 /nfs/dbraw/zinc/58/75/73/400587573.db2.gz CBOQCEIWPFSCEX-ZROIWOOFSA-N 1 1 302.374 3.277 20 5 DGBDMO CC[N@@H+](CC(=O)Nc1c(C)cccc1[N+](=O)[O-])C1CCCCC1 ZINC000052873199 400751405 /nfs/dbraw/zinc/75/14/05/400751405.db2.gz LPRJGIOHXPBLKJ-UHFFFAOYSA-N 1 1 319.405 3.496 20 5 DGBDMO CCC[N@@H+](C)C[C@H]1CCN(c2ccc([N+](=O)[O-])cc2Cl)C1 ZINC000078562429 400809185 /nfs/dbraw/zinc/80/91/85/400809185.db2.gz QRCBONSWSAZJSK-GFCCVEGCSA-N 1 1 311.813 3.416 20 5 DGBDMO C[C@@H]1CCCN(C/C=C\c2ccccc2[N+](=O)[O-])[C@H]1CC[NH3+] ZINC000593316288 400817483 /nfs/dbraw/zinc/81/74/83/400817483.db2.gz OROGWYVSHCXZBH-IRHPPKKSSA-N 1 1 303.406 3.057 20 5 DGBDMO C[C@@H](CO)C1CC[NH+](Cc2ccc(Cl)cc2[N+](=O)[O-])CC1 ZINC000593084774 400757157 /nfs/dbraw/zinc/75/71/57/400757157.db2.gz QZPBMWOMXYNBGI-NSHDSACASA-N 1 1 312.797 3.089 20 5 DGBDMO COCC[N@H+](Cc1cccs1)Cc1ccccc1[N+](=O)[O-] ZINC000053099721 400765301 /nfs/dbraw/zinc/76/53/01/400765301.db2.gz OJSJOTJIZGHLOQ-UHFFFAOYSA-N 1 1 306.387 3.305 20 5 DGBDMO COCC[N@@H+](Cc1cccs1)Cc1ccccc1[N+](=O)[O-] ZINC000053099721 400765305 /nfs/dbraw/zinc/76/53/05/400765305.db2.gz OJSJOTJIZGHLOQ-UHFFFAOYSA-N 1 1 306.387 3.305 20 5 DGBDMO Cc1ccc([C@H](C)NCc2ccc(C[NH3+])cc2F)cc1[N+](=O)[O-] ZINC000593321016 400818347 /nfs/dbraw/zinc/81/83/47/400818347.db2.gz WMAKANFPKAGLEN-LBPRGKRZSA-N 1 1 317.364 3.352 20 5 DGBDMO CCC1CC[NH+]([C@H](C)C(=O)Nc2ccccc2[N+](=O)[O-])CC1 ZINC000053376703 400779985 /nfs/dbraw/zinc/77/99/85/400779985.db2.gz YEFSVBULNXOQDD-GFCCVEGCSA-N 1 1 305.378 3.044 20 5 DGBDMO CC(C)O[C@@H]1CCC[N@@H+](C/C=C/c2ccccc2[N+](=O)[O-])C1 ZINC000593660324 400888010 /nfs/dbraw/zinc/88/80/10/400888010.db2.gz PCTOEERZAVGYLV-CDVVCGDMSA-N 1 1 304.390 3.497 20 5 DGBDMO Cc1nccnc1C[N@H+]1CCC[C@H](c2ccc([N+](=O)[O-])cc2)C1 ZINC000598676136 400855254 /nfs/dbraw/zinc/85/52/54/400855254.db2.gz NSXSFCRIZAGYNA-HNNXBMFYSA-N 1 1 312.373 3.073 20 5 DGBDMO COc1ccc(C[NH+]2CC(Cc3ccsc3)C2)cc1[N+](=O)[O-] ZINC000598676835 400855316 /nfs/dbraw/zinc/85/53/16/400855316.db2.gz ABEUVZLSPILGGN-UHFFFAOYSA-N 1 1 318.398 3.339 20 5 DGBDMO COc1cc([N+](=O)[O-])ccc1[C@H](C)[NH2+]Cc1cccnc1C ZINC000599072463 400949973 /nfs/dbraw/zinc/94/99/73/400949973.db2.gz FDSDAKBUSDIYDD-LBPRGKRZSA-N 1 1 301.346 3.158 20 5 DGBDMO CN1CC[C@H]([NH2+]CCCCc2ccc([N+](=O)[O-])cc2)CC1(C)C ZINC000598965844 400915365 /nfs/dbraw/zinc/91/53/65/400915365.db2.gz NVDFVVQEPBAWNO-INIZCTEOSA-N 1 1 319.449 3.380 20 5 DGBDMO Cc1ccc(CNC[C@@H]2CC[N@@H+]2C2CCCCC2)cc1[N+](=O)[O-] ZINC000598991772 400921615 /nfs/dbraw/zinc/92/16/15/400921615.db2.gz HGZAVYQTXNJOEX-KRWDZBQOSA-N 1 1 317.433 3.400 20 5 DGBDMO Cc1ccc(CNC[C@@H]2CC[N@H+]2C2CCCCC2)cc1[N+](=O)[O-] ZINC000598991772 400921619 /nfs/dbraw/zinc/92/16/19/400921619.db2.gz HGZAVYQTXNJOEX-KRWDZBQOSA-N 1 1 317.433 3.400 20 5 DGBDMO C[C@H]([NH2+][C@@H](CO)c1cccc(F)c1)c1cccc([N+](=O)[O-])c1 ZINC000358157539 285985769 /nfs/dbraw/zinc/98/57/69/285985769.db2.gz MJJLNKVTUFRJTA-ZBEGNZNMSA-N 1 1 304.321 3.118 20 5 DGBDMO COc1ccc([C@@H]([NH2+]Cc2csc([N+](=O)[O-])c2)C2CC2)cn1 ZINC000599020063 400928296 /nfs/dbraw/zinc/92/82/96/400928296.db2.gz MXHUPOVGZOCJHJ-HNNXBMFYSA-N 1 1 319.386 3.301 20 5 DGBDMO CC[C@H](C)[N@@H+](C)CCNc1ccc2cnccc2c1[N+](=O)[O-] ZINC000599038341 400934110 /nfs/dbraw/zinc/93/41/10/400934110.db2.gz OZNZWLXUHHYJQV-LBPRGKRZSA-N 1 1 302.378 3.285 20 5 DGBDMO COc1cccc([N+](=O)[O-])c1NC[C@@H]1CC[N@H+]1C1CCCC1 ZINC000599164029 400982642 /nfs/dbraw/zinc/98/26/42/400982642.db2.gz HZYLYCQAUMBAOB-ZDUSSCGKSA-N 1 1 305.378 3.032 20 5 DGBDMO C[N@H+]1CCCC[C@H](CNc2nccc3c2cccc3[N+](=O)[O-])C1 ZINC000599140246 400973794 /nfs/dbraw/zinc/97/37/94/400973794.db2.gz ANIVLLJVGFMQHH-CYBMUJFWSA-N 1 1 314.389 3.287 20 5 DGBDMO COCCC1CC[NH+](Cc2ccc(Cl)cc2[N+](=O)[O-])CC1 ZINC000599507584 401062709 /nfs/dbraw/zinc/06/27/09/401062709.db2.gz ZOBIDLZJAWRYJG-UHFFFAOYSA-N 1 1 312.797 3.497 20 5 DGBDMO C[C@H]1C[NH+](Cc2c(F)cccc2[N+](=O)[O-])C[C@H](C)C1(F)F ZINC000599514736 401064622 /nfs/dbraw/zinc/06/46/22/401064622.db2.gz ZERQWFFOBBZQEJ-UWVGGRQHSA-N 1 1 302.296 3.457 20 5 DGBDMO COc1ccc(C[N@H+]2CC[C@H]3CC[C@@H](C2)S3)cc1[N+](=O)[O-] ZINC000599552942 401074728 /nfs/dbraw/zinc/07/47/28/401074728.db2.gz LCEHECXYXWFYOU-OLZOCXBDSA-N 1 1 308.403 3.073 20 5 DGBDMO COC[C@@H]([NH2+][C@@H]1CCc2c1cccc2[N+](=O)[O-])c1ccc(C)o1 ZINC000594495527 401079807 /nfs/dbraw/zinc/07/98/07/401079807.db2.gz BCIYLOBAZYEUHX-HUUCEWRRSA-N 1 1 316.357 3.461 20 5 DGBDMO C[C@H]([NH2+]Cc1cc(CO)ccc1F)c1ccccc1[N+](=O)[O-] ZINC000599354247 401031565 /nfs/dbraw/zinc/03/15/65/401031565.db2.gz OLOCTOASIAYPOX-NSHDSACASA-N 1 1 304.321 3.077 20 5 DGBDMO Cc1cccc([N+](=O)[O-])c1NC(=O)C[N@@H+]1C[C@@H]2CCCC[C@@]21C ZINC000599675886 401109969 /nfs/dbraw/zinc/10/99/69/401109969.db2.gz VSLRFDNWYGPOOH-GUYCJALGSA-N 1 1 317.389 3.106 20 5 DGBDMO Cc1cccc([N+](=O)[O-])c1NC(=O)C[N@H+]1C[C@@H]2CCCC[C@@]21C ZINC000599675886 401109971 /nfs/dbraw/zinc/10/99/71/401109971.db2.gz VSLRFDNWYGPOOH-GUYCJALGSA-N 1 1 317.389 3.106 20 5 DGBDMO O=[N+]([O-])c1cc(Cl)cnc1N[C@H]1CCC[N@H+]2CCCC[C@@H]12 ZINC000594601232 401125096 /nfs/dbraw/zinc/12/50/96/401125096.db2.gz MTLOUWMXFPZBOE-RYUDHWBXSA-N 1 1 310.785 3.072 20 5 DGBDMO COc1ccc([N+](=O)[O-])c(N[C@H]2CCC[N@H+]3CCCC[C@@H]23)c1 ZINC000594599961 401125803 /nfs/dbraw/zinc/12/58/03/401125803.db2.gz KUTRQYUYDDRICV-ZFWWWQNUSA-N 1 1 305.378 3.032 20 5 DGBDMO C/C(=C/c1cccc([N+](=O)[O-])c1)C[N@@H+](CCO)CC(C)(C)C ZINC000615835582 401160633 /nfs/dbraw/zinc/16/06/33/401160633.db2.gz STJLXKMXEBRYRS-UVTDQMKNSA-N 1 1 306.406 3.339 20 5 DGBDMO CO[C@@H]1CCC[N@@H+](C/C(C)=C/c2cccc([N+](=O)[O-])c2)CC1 ZINC000615837570 401161592 /nfs/dbraw/zinc/16/15/92/401161592.db2.gz FPPHEDQJGLUWRB-GWKQRERASA-N 1 1 304.390 3.499 20 5 DGBDMO NC1(C[NH2+][C@@H]2CCC[C@H]2Cc2ccccc2[N+](=O)[O-])CCCC1 ZINC000594738033 401166086 /nfs/dbraw/zinc/16/60/86/401166086.db2.gz ATGZTKQSGUJSJX-GOEBONIOSA-N 1 1 317.433 3.167 20 5 DGBDMO COc1cc([N+](=O)[O-])ccc1[C@H](C)[NH2+]CCN1CCCCCC1 ZINC000595004474 401225093 /nfs/dbraw/zinc/22/50/93/401225093.db2.gz SOOAKCUZVWNUOF-AWEZNQCLSA-N 1 1 321.421 3.130 20 5 DGBDMO CC[C@@H](C)[N@@H+](CCO)Cc1ccc(-c2cccc([N+](=O)[O-])c2)o1 ZINC000600168386 401205365 /nfs/dbraw/zinc/20/53/65/401205365.db2.gz IQSQQTVPOJRRPM-CYBMUJFWSA-N 1 1 318.373 3.448 20 5 DGBDMO O=[N+]([O-])c1cccc(-c2nc(C[N@@H+]3C[C@@H]4C[C@@H]4C3)cs2)c1 ZINC000600191660 401215471 /nfs/dbraw/zinc/21/54/71/401215471.db2.gz LVKILUWNAQTKNE-TXEJJXNPSA-N 1 1 301.371 3.170 20 5 DGBDMO O=[N+]([O-])c1cccc(-c2nc(C[N@H+]3C[C@@H]4C[C@@H]4C3)cs2)c1 ZINC000600191660 401215475 /nfs/dbraw/zinc/21/54/75/401215475.db2.gz LVKILUWNAQTKNE-TXEJJXNPSA-N 1 1 301.371 3.170 20 5 DGBDMO COc1cc([N+](=O)[O-])ccc1[C@H](C)[NH2+][C@H](C)c1cccnc1 ZINC000595003628 401225971 /nfs/dbraw/zinc/22/59/71/401225971.db2.gz IZLDIRKMBYRMRN-NEPJUHHUSA-N 1 1 301.346 3.410 20 5 DGBDMO C[N@@H+](CCOc1ccc([N+](=O)[O-])cc1)CCc1ccccc1 ZINC000065535124 401270164 /nfs/dbraw/zinc/27/01/64/401270164.db2.gz BAKNZPFXOBCXQZ-UHFFFAOYSA-N 1 1 300.358 3.148 20 5 DGBDMO C[N@@H+](CCNc1ccc(F)cc1[N+](=O)[O-])Cc1ccccc1 ZINC000064916310 401254172 /nfs/dbraw/zinc/25/41/72/401254172.db2.gz SDNAOPCYVAVXAL-UHFFFAOYSA-N 1 1 303.337 3.278 20 5 DGBDMO Cc1ccc(C[N@@H+](C)CCOc2ccc([N+](=O)[O-])cc2)cc1 ZINC000065208624 401260879 /nfs/dbraw/zinc/26/08/79/401260879.db2.gz QVQUGBIXRMPHHF-UHFFFAOYSA-N 1 1 300.358 3.414 20 5 DGBDMO CCCCn1cc(C[NH2+]Cc2ccccc2[N+](=O)[O-])c(C)n1 ZINC000358506349 286080159 /nfs/dbraw/zinc/08/01/59/286080159.db2.gz JIDMNKXHNMBXGE-UHFFFAOYSA-N 1 1 302.378 3.190 20 5 DGBDMO CC[C@H]1CCC[N@H+]([C@H](C)C(=O)Nc2cccc([N+](=O)[O-])c2)C1 ZINC000359027182 286218836 /nfs/dbraw/zinc/21/88/36/286218836.db2.gz NCNSCXUYQSVJSK-OLZOCXBDSA-N 1 1 305.378 3.044 20 5 DGBDMO CC[C@@H]1CCC[N@H+]([C@H](C)C(=O)Nc2cccc([N+](=O)[O-])c2)C1 ZINC000359027181 286218846 /nfs/dbraw/zinc/21/88/46/286218846.db2.gz NCNSCXUYQSVJSK-CHWSQXEVSA-N 1 1 305.378 3.044 20 5 DGBDMO COc1cc([N+](=O)[O-])ccc1C[N@H+]1CCS[C@@H]2CCCC[C@@H]21 ZINC000430204622 286249514 /nfs/dbraw/zinc/24/95/14/286249514.db2.gz RWKHAHVDPAJZMP-GOEBONIOSA-N 1 1 322.430 3.463 20 5 DGBDMO O=[N+]([O-])c1cc(Cl)ccc1C[NH2+][C@H](CO)c1cccc(F)c1 ZINC000359532842 286328851 /nfs/dbraw/zinc/32/88/51/286328851.db2.gz WSYNIFCZXGTVRF-CQSZACIVSA-N 1 1 324.739 3.211 20 5 DGBDMO CC[C@H]1[C@@H](C)CC[N@H+]1CCC(=O)Nc1ccc([N+](=O)[O-])cc1C ZINC000185667243 165012210 /nfs/dbraw/zinc/01/22/10/165012210.db2.gz DFMINPJCWVCBRA-LRDDRELGSA-N 1 1 319.405 3.352 20 5 DGBDMO CCOc1cc(C[N@H+]2CCCC[C@H](COC)C2)ccc1[N+](=O)[O-] ZINC000365194736 287108573 /nfs/dbraw/zinc/10/85/73/287108573.db2.gz YPRMLPCCBCFXSU-HNNXBMFYSA-N 1 1 322.405 3.242 20 5 DGBDMO Cc1c(CN[C@@H]2CCC[C@@H]2[C@H]2CCCC[NH2+]2)cccc1[N+](=O)[O-] ZINC000261812628 165752369 /nfs/dbraw/zinc/75/23/69/165752369.db2.gz GPGASGMXXKKPDE-BRWVUGGUSA-N 1 1 317.433 3.304 20 5 DGBDMO CCC1(CC)CCC[N@@H+](CCn2cc([N+](=O)[O-])ccc2=O)CC1 ZINC000190412563 432153623 /nfs/dbraw/zinc/15/36/23/432153623.db2.gz MDWOHJSEUZUJFW-UHFFFAOYSA-N 1 1 321.421 3.049 20 5 DGBDMO CC[C@H](O)[C@H]1CCCC[N@H+]1Cc1ccc([N+](=O)[O-])cc1Cl ZINC000182182830 432163315 /nfs/dbraw/zinc/16/33/15/432163315.db2.gz OIOFAYZYUZDPFP-CABCVRRESA-N 1 1 312.797 3.374 20 5 DGBDMO Cc1[nH+]ccn1CCCCNc1c(F)cc([N+](=O)[O-])cc1F ZINC000269663167 432192831 /nfs/dbraw/zinc/19/28/31/432192831.db2.gz UQHLDISKUVYMBV-UHFFFAOYSA-N 1 1 310.304 3.270 20 5 DGBDMO C[N@@H+](Cc1ccc(Cl)c([N+](=O)[O-])c1)[C@@H](CO)C(C)(C)C ZINC000269653426 432193075 /nfs/dbraw/zinc/19/30/75/432193075.db2.gz MRPOGYRZZNEFRZ-ZDUSSCGKSA-N 1 1 300.786 3.087 20 5 DGBDMO CC(C)(C)[N@@H+](CCn1ccc([N+](=O)[O-])n1)Cc1ccccc1 ZINC000130463261 196084118 /nfs/dbraw/zinc/08/41/18/196084118.db2.gz WRXFVMQOEATDHM-UHFFFAOYSA-N 1 1 302.378 3.092 20 5 DGBDMO CC(C)c1ccc(C[N@@H+](C)C[C@@H]2CCC[C@H]2O)cc1[N+](=O)[O-] ZINC000247239974 432215579 /nfs/dbraw/zinc/21/55/79/432215579.db2.gz WSUWIYWDBGPOSP-WMLDXEAASA-N 1 1 306.406 3.311 20 5 DGBDMO Cc1ccccc1C[N@@H+](C)C[C@@H](O)c1cccc([N+](=O)[O-])c1 ZINC000269731571 432204163 /nfs/dbraw/zinc/20/41/63/432204163.db2.gz YARJKYKILMSXHG-QGZVFWFLSA-N 1 1 300.358 3.069 20 5 DGBDMO O=[N+]([O-])c1ccc(CCN2CCC[N@H+](C3CCCC3)CC2)cc1 ZINC000172585114 432221309 /nfs/dbraw/zinc/22/13/09/432221309.db2.gz NVLYPKOWAIHERT-UHFFFAOYSA-N 1 1 317.433 3.088 20 5 DGBDMO O=[N+]([O-])c1ccc(C[NH2+][C@H]2CCOc3c(F)cccc32)cc1 ZINC000191127560 432224186 /nfs/dbraw/zinc/22/41/86/432224186.db2.gz YYDHEOHWRREROC-HNNXBMFYSA-N 1 1 302.305 3.347 20 5 DGBDMO CC(C)(C)[N@@H+](CCn1cc([N+](=O)[O-])cn1)Cc1ccc(F)cc1 ZINC000132875583 196292415 /nfs/dbraw/zinc/29/24/15/196292415.db2.gz HTBYVXCBGMOOKZ-UHFFFAOYSA-N 1 1 320.368 3.231 20 5 DGBDMO C[C@H]1CN(C/C=C/c2ccccc2[N+](=O)[O-])CC[N@H+](C2CC2)C1 ZINC000295576045 225004321 /nfs/dbraw/zinc/00/43/21/225004321.db2.gz BAMGOUFBCDOJBW-DRDHIDPGSA-N 1 1 315.417 3.024 20 5 DGBDMO C[C@@H](C(=O)Nc1ccccc1[N+](=O)[O-])[N@@H+]1C[C@@H]2CCCC[C@@H]2C1 ZINC000177578460 228333340 /nfs/dbraw/zinc/33/33/40/228333340.db2.gz BSSTXXCNNUZDIF-MELADBBJSA-N 1 1 317.389 3.044 20 5 DGBDMO C[C@H]1C[C@H](Nc2ccc([N+](=O)[O-])c3ncccc23)C[N@H+]1C1CC1 ZINC000413181428 230147577 /nfs/dbraw/zinc/14/75/77/230147577.db2.gz FIAQQNKWUVNVKJ-RYUDHWBXSA-N 1 1 312.373 3.180 20 5 DGBDMO CCC[N@@H+](CC)Cc1cc(OC)c(OC(F)F)cc1[N+](=O)[O-] ZINC000346297207 264004936 /nfs/dbraw/zinc/00/49/36/264004936.db2.gz NMUQWQBPGIJHQV-UHFFFAOYSA-N 1 1 318.320 3.437 20 5 DGBDMO C/C(=C\c1cccc([N+](=O)[O-])c1)C[N@H+]1CC[C@]2(CCOC2)C1 ZINC000347331550 264197876 /nfs/dbraw/zinc/19/78/76/264197876.db2.gz FMYWHBFMJKXINZ-ZGUWOUCSSA-N 1 1 302.374 3.111 20 5 DGBDMO C[C@H](C(=O)Nc1ccccc1[N+](=O)[O-])[N@@H+]1CCCC2(CCC2)C1 ZINC000348166708 264356083 /nfs/dbraw/zinc/35/60/83/264356083.db2.gz IGAYWVPASJVTHO-CYBMUJFWSA-N 1 1 317.389 3.188 20 5 DGBDMO C[C@H](C(=O)Nc1ccccc1[N+](=O)[O-])[N@H+]1CCCC2(CCC2)C1 ZINC000348166708 264356084 /nfs/dbraw/zinc/35/60/84/264356084.db2.gz IGAYWVPASJVTHO-CYBMUJFWSA-N 1 1 317.389 3.188 20 5 DGBDMO COc1ccc(C[N@@H+]2CC[C@@H](C(F)(F)F)[C@H]2C)cc1[N+](=O)[O-] ZINC000348240879 264372405 /nfs/dbraw/zinc/37/24/05/264372405.db2.gz CCPOCGZRTLIFON-MWLCHTKSSA-N 1 1 318.295 3.376 20 5 DGBDMO COc1ccc(C[N@H+]2CC[C@@H](C(F)(F)F)[C@H]2C)cc1[N+](=O)[O-] ZINC000348240879 264372407 /nfs/dbraw/zinc/37/24/07/264372407.db2.gz CCPOCGZRTLIFON-MWLCHTKSSA-N 1 1 318.295 3.376 20 5 DGBDMO CCc1ccc(C[NH+]2CCN(c3cccc([N+](=O)[O-])c3)CC2)o1 ZINC000352331462 265003210 /nfs/dbraw/zinc/00/32/10/265003210.db2.gz QIGLGWADVGIEHO-UHFFFAOYSA-N 1 1 315.373 3.072 20 5 DGBDMO CC[N@H+]1C[C@H](C)N(c2nc3ccccc3cc2[N+](=O)[O-])C[C@H]1C ZINC000352349730 265010525 /nfs/dbraw/zinc/01/05/25/265010525.db2.gz HBESUXRNUPOHND-OLZOCXBDSA-N 1 1 314.389 3.062 20 5 DGBDMO CO[C@@]1(C)C[C@@H]([N@@H+](C)Cc2ccc([N+](=O)[O-])cc2F)C1(C)C ZINC000352612687 265104503 /nfs/dbraw/zinc/10/45/03/265104503.db2.gz QPYQJWJTMCZLCL-ZBFHGGJFSA-N 1 1 310.369 3.369 20 5 DGBDMO CC(C)c1ccc(CN2CC[C@H]3CC[N@@H+](C)C[C@H]32)cc1[N+](=O)[O-] ZINC000353011376 265263948 /nfs/dbraw/zinc/26/39/48/265263948.db2.gz WSAYKPFNFGQBPS-CRAIPNDOSA-N 1 1 317.433 3.244 20 5 DGBDMO C[C@H](c1ccccc1[N+](=O)[O-])[N@H+]1CC[C@@H](COC(F)F)C1 ZINC000353031568 265273081 /nfs/dbraw/zinc/27/30/81/265273081.db2.gz VTGVRHHFBHXRBB-GHMZBOCLSA-N 1 1 300.305 3.217 20 5 DGBDMO C[C@H](C(=O)Nc1ccc([N+](=O)[O-])cc1)[N@H+]1CCCC(C)(C)C1 ZINC000353276189 265371551 /nfs/dbraw/zinc/37/15/51/265371551.db2.gz UQSBDIHPMHQJAT-GFCCVEGCSA-N 1 1 305.378 3.044 20 5 DGBDMO C[N@H+](Cc1ccc(-c2ccc([N+](=O)[O-])cc2)o1)CC1CC(O)C1 ZINC000191160815 432229539 /nfs/dbraw/zinc/22/95/39/432229539.db2.gz POGGFUOMRDRYJU-UHFFFAOYSA-N 1 1 316.357 3.058 20 5 DGBDMO CCc1nocc1C[N@H+](C)C/C=C\c1ccccc1[N+](=O)[O-] ZINC000354357352 265749105 /nfs/dbraw/zinc/74/91/05/265749105.db2.gz CGZMZPSILGASCD-VURMDHGXSA-N 1 1 301.346 3.290 20 5 DGBDMO CCc1nocc1C[N@@H+](C)C/C=C\c1ccccc1[N+](=O)[O-] ZINC000354357352 265749109 /nfs/dbraw/zinc/74/91/09/265749109.db2.gz CGZMZPSILGASCD-VURMDHGXSA-N 1 1 301.346 3.290 20 5 DGBDMO CC(C)Oc1ccc([N+](=O)[O-])cc1C[N@H+](C)C[C@H]1CCCCO1 ZINC000355437676 266074999 /nfs/dbraw/zinc/07/49/99/266074999.db2.gz URAJRLSUVXLPHC-MRXNPFEDSA-N 1 1 322.405 3.383 20 5 DGBDMO CC(C)Oc1ccc([N+](=O)[O-])cc1C[N@@H+](C)C[C@H]1CCCCO1 ZINC000355437676 266075001 /nfs/dbraw/zinc/07/50/01/266075001.db2.gz URAJRLSUVXLPHC-MRXNPFEDSA-N 1 1 322.405 3.383 20 5 DGBDMO C[C@@H](C1CC1)[N@H+](Cc1c([N+](=O)[O-])ncn1C)Cc1ccccc1 ZINC000355804752 266190831 /nfs/dbraw/zinc/19/08/31/266190831.db2.gz UOFHTEOTTPHHOE-ZDUSSCGKSA-N 1 1 314.389 3.129 20 5 DGBDMO C[C@@H](C1CC1)[N@@H+](Cc1c([N+](=O)[O-])ncn1C)Cc1ccccc1 ZINC000355804752 266190834 /nfs/dbraw/zinc/19/08/34/266190834.db2.gz UOFHTEOTTPHHOE-ZDUSSCGKSA-N 1 1 314.389 3.129 20 5 DGBDMO C[C@@H]1CCC[N@@H+](Cc2nc(-c3cccc([N+](=O)[O-])c3)no2)[C@@H]1C ZINC000172858404 432241070 /nfs/dbraw/zinc/24/10/70/432241070.db2.gz ACFXWADBRUOYOQ-VXGBXAGGSA-N 1 1 316.361 3.265 20 5 DGBDMO Cc1c([C@H](C)[NH2+][C@H]2CCCc3cn[nH]c32)cccc1[N+](=O)[O-] ZINC000370051345 271337794 /nfs/dbraw/zinc/33/77/94/271337794.db2.gz VZEKPPBGYILIBH-FZMZJTMJSA-N 1 1 300.362 3.355 20 5 DGBDMO Cc1c([C@H](C)[NH2+][C@H]2CCCc3c[nH]nc32)cccc1[N+](=O)[O-] ZINC000370051345 271337796 /nfs/dbraw/zinc/33/77/96/271337796.db2.gz VZEKPPBGYILIBH-FZMZJTMJSA-N 1 1 300.362 3.355 20 5 DGBDMO C[C@H](CN[C@@H]1CCCc2ccc([N+](=O)[O-])cc21)C[NH+]1CCCC1 ZINC000192698705 274491158 /nfs/dbraw/zinc/49/11/58/274491158.db2.gz MVIXSWZQSGJTNX-RDTXWAMCSA-N 1 1 317.433 3.294 20 5 DGBDMO O=[N+]([O-])c1c(N[C@H]2CC[N@H+]3CCC[C@@H]3C2)ccc2ncccc21 ZINC000322601470 275032745 /nfs/dbraw/zinc/03/27/45/275032745.db2.gz MIALBWWRIDGIBO-QWHCGFSZSA-N 1 1 312.373 3.182 20 5 DGBDMO O=[N+]([O-])c1ccc2c(ccnc2N2CCC(c3[nH]cc[nH+]3)CC2)c1 ZINC000295558683 275038591 /nfs/dbraw/zinc/03/85/91/275038591.db2.gz QAWXXCPUPFBIFX-UHFFFAOYSA-N 1 1 323.356 3.250 20 5 DGBDMO CCc1ccc([C@@H]([NH2+][C@@H](CC)CO)c2ccc([N+](=O)[O-])cc2)o1 ZINC000437088047 276690065 /nfs/dbraw/zinc/69/00/65/276690065.db2.gz PSHUHJHJSQTOPD-GUYCJALGSA-N 1 1 318.373 3.200 20 5 DGBDMO CCCC[N@@H+](CC)CCC(=O)Nc1cccc([N+](=O)[O-])c1C ZINC000072037513 431329433 /nfs/dbraw/zinc/32/94/33/431329433.db2.gz SMYYGOMZTUQZJP-UHFFFAOYSA-N 1 1 307.394 3.354 20 5 DGBDMO Cc1ccc(NC(=O)CCn2cc[nH+]c2C(C)C)cc1[N+](=O)[O-] ZINC000114158047 431376031 /nfs/dbraw/zinc/37/60/31/431376031.db2.gz GODPUUONTRSWNH-UHFFFAOYSA-N 1 1 316.361 3.252 20 5 DGBDMO CC[N@H+](Cc1nc(-c2ccc([N+](=O)[O-])cc2)no1)CC(C)C ZINC000114725291 431411200 /nfs/dbraw/zinc/41/12/00/431411200.db2.gz OLCVFXDUBQPOOU-UHFFFAOYSA-N 1 1 304.350 3.123 20 5 DGBDMO CC[C@@H](O)[C@H]1CCCC[N@H+]1Cc1ccc(Cl)cc1[N+](=O)[O-] ZINC000116280296 431500014 /nfs/dbraw/zinc/50/00/14/431500014.db2.gz QRKUXKCYNUUVDF-UKRRQHHQSA-N 1 1 312.797 3.374 20 5 DGBDMO COc1ccc(C[NH+]2CCC(C(F)(F)F)CC2)cc1[N+](=O)[O-] ZINC000075997704 431510700 /nfs/dbraw/zinc/51/07/00/431510700.db2.gz ZGWMMAPIQFTEDD-UHFFFAOYSA-N 1 1 318.295 3.378 20 5 DGBDMO CC[C@@H]1CCC[N@@H+](CC(=O)Nc2ccccc2[N+](=O)[O-])CC1 ZINC000117344850 431557092 /nfs/dbraw/zinc/55/70/92/431557092.db2.gz LQDITFMQNSHDAI-CYBMUJFWSA-N 1 1 305.378 3.045 20 5 DGBDMO CC[C@@H]1CCC[N@@H+](CC(=O)N(C)c2ccc([N+](=O)[O-])cc2)CC1 ZINC000117345686 431557881 /nfs/dbraw/zinc/55/78/81/431557881.db2.gz HFSWLRTYAXPSSB-CQSZACIVSA-N 1 1 319.405 3.070 20 5 DGBDMO Cn1cccc1[C@H]1CCC[N@H+]1CCOc1cccc([N+](=O)[O-])c1 ZINC000076612829 431558827 /nfs/dbraw/zinc/55/88/27/431558827.db2.gz PQANTHRTAJNELJ-QGZVFWFLSA-N 1 1 315.373 3.149 20 5 DGBDMO O=[N+]([O-])c1cccc(OCC[N@H+]2CCC[C@H]2c2ccc[nH]2)c1 ZINC000077171101 431570723 /nfs/dbraw/zinc/57/07/23/431570723.db2.gz IRFHLZKSCMKEJS-INIZCTEOSA-N 1 1 301.346 3.139 20 5 DGBDMO CC[N@@H+](CC(=O)Nc1cc([N+](=O)[O-])ccc1C)C1CCCCC1 ZINC000027284985 431686649 /nfs/dbraw/zinc/68/66/49/431686649.db2.gz GCRSJBNAGDCSSH-UHFFFAOYSA-N 1 1 319.405 3.496 20 5 DGBDMO CC[C@@H]1CCC[N@H+]([C@@H](C)C(=O)Nc2cccc([N+](=O)[O-])c2C)C1 ZINC000030144795 431732396 /nfs/dbraw/zinc/73/23/96/431732396.db2.gz PIEYCNWWGWLZIQ-UONOGXRCSA-N 1 1 319.405 3.352 20 5 DGBDMO C[C@@H]1CN(c2c(F)cccc2[N+](=O)[O-])CC[N@H+](C2CCC2)C1 ZINC000488720663 288255697 /nfs/dbraw/zinc/25/56/97/288255697.db2.gz ZEPNEXBCIROTQF-LBPRGKRZSA-N 1 1 307.369 3.045 20 5 DGBDMO C[N@@H+](CCc1ccccc1)Cc1nc2cc([N+](=O)[O-])ccc2o1 ZINC000083168754 431805983 /nfs/dbraw/zinc/80/59/83/431805983.db2.gz WSWJRRUZEUCEEL-UHFFFAOYSA-N 1 1 311.341 3.411 20 5 DGBDMO Cc1ccc([N+](=O)[O-])c(NCCCC[N@@H+]2CCCC[C@@H]2C)n1 ZINC000121404186 431779808 /nfs/dbraw/zinc/77/98/08/431779808.db2.gz ZLFCJRMCTMWOBV-AWEZNQCLSA-N 1 1 306.410 3.365 20 5 DGBDMO C[C@@H]1C[C@H](C)C[N@H+](Cc2nc(-c3ccc([N+](=O)[O-])cc3)no2)C1 ZINC000047406828 431910470 /nfs/dbraw/zinc/91/04/70/431910470.db2.gz IROFIICFPPLBMA-TXEJJXNPSA-N 1 1 316.361 3.123 20 5 DGBDMO C[C@@H](O)C[C@@H]1CCCC[N@H+]1Cc1ccc(Cl)cc1[N+](=O)[O-] ZINC000123763816 431874092 /nfs/dbraw/zinc/87/40/92/431874092.db2.gz HQVSWFSBXUTKHH-RISCZKNCSA-N 1 1 312.797 3.374 20 5 DGBDMO CSCC[N@H+](C)Cc1coc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000089909940 431885477 /nfs/dbraw/zinc/88/54/77/431885477.db2.gz RKTQFIKIKUAGTM-UHFFFAOYSA-N 1 1 307.375 3.045 20 5 DGBDMO CSCC[N@@H+](C)Cc1coc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000089909940 431885479 /nfs/dbraw/zinc/88/54/79/431885479.db2.gz RKTQFIKIKUAGTM-UHFFFAOYSA-N 1 1 307.375 3.045 20 5 DGBDMO C[C@@H]1OCC[N@H+](Cc2ccc(-c3ccc([N+](=O)[O-])cc3)o2)[C@H]1C ZINC000126527536 431952120 /nfs/dbraw/zinc/95/21/20/431952120.db2.gz GWFFJRPURKOFJH-STQMWFEESA-N 1 1 316.357 3.464 20 5 DGBDMO C[C@@H]1OCC[N@@H+](Cc2ccc(-c3ccc([N+](=O)[O-])cc3)o2)[C@H]1C ZINC000126527536 431952122 /nfs/dbraw/zinc/95/21/22/431952122.db2.gz GWFFJRPURKOFJH-STQMWFEESA-N 1 1 316.357 3.464 20 5 DGBDMO C[C@@H]1C[N@@H+](Cc2ccc(-c3ccc([N+](=O)[O-])cc3)o2)C[C@H](C)O1 ZINC000127064047 431964012 /nfs/dbraw/zinc/96/40/12/431964012.db2.gz LBJPYUZQMIQSNG-BETUJISGSA-N 1 1 316.357 3.464 20 5 DGBDMO C[C@@H]1C[N@H+](Cc2ccc(-c3ccc([N+](=O)[O-])cc3)o2)C[C@H](C)O1 ZINC000127064047 431964014 /nfs/dbraw/zinc/96/40/14/431964014.db2.gz LBJPYUZQMIQSNG-BETUJISGSA-N 1 1 316.357 3.464 20 5 DGBDMO Cc1ccc([N+](=O)[O-])cc1[C@H](C)[N@H+]1CC[C@@H]2C[C@@H](O)CC[C@H]2C1 ZINC000451705417 281021834 /nfs/dbraw/zinc/02/18/34/281021834.db2.gz YNEYQYLBTAMGPG-IVSAIRAKSA-N 1 1 318.417 3.447 20 5 DGBDMO C[C@H](C(=O)Nc1ccccc1[N+](=O)[O-])[N@H+]1CCCC[C@H](C)C1 ZINC000248587111 432303333 /nfs/dbraw/zinc/30/33/33/432303333.db2.gz YAYILPBVFDFVRY-QWHCGFSZSA-N 1 1 305.378 3.044 20 5 DGBDMO C[C@@H]1CC[N@H+](Cc2nc3cc([N+](=O)[O-])ccc3o2)CCS1 ZINC000192184748 432343263 /nfs/dbraw/zinc/34/32/63/432343263.db2.gz KOYXRXGIBISQRI-SNVBAGLBSA-N 1 1 307.375 3.063 20 5 DGBDMO C[C@@H]1CC[N@@H+](Cc2nc3cc([N+](=O)[O-])ccc3o2)CCS1 ZINC000192184748 432343268 /nfs/dbraw/zinc/34/32/68/432343268.db2.gz KOYXRXGIBISQRI-SNVBAGLBSA-N 1 1 307.375 3.063 20 5 DGBDMO CC(C)[C@@H](c1ccccc1)[N@@H+](C)CCn1cc([N+](=O)[O-])cn1 ZINC000174859537 432375584 /nfs/dbraw/zinc/37/55/84/432375584.db2.gz SQWFONJAPPIKKP-INIZCTEOSA-N 1 1 302.378 3.120 20 5 DGBDMO CC(C)OC(=O)C[C@H]1CCC[N@@H+](Cc2ccc([N+](=O)[O-])cc2)C1 ZINC000184478582 432396656 /nfs/dbraw/zinc/39/66/56/432396656.db2.gz PBUILWTVRCVMNS-OAHLLOKOSA-N 1 1 320.389 3.149 20 5 DGBDMO CC[C@H]1C[N@@H+](Cc2ccc(-c3cccc([N+](=O)[O-])c3)o2)C[C@H]1O ZINC000271273969 432366736 /nfs/dbraw/zinc/36/67/36/432366736.db2.gz KKJUYSNXVMQESF-BLLLJJGKSA-N 1 1 316.357 3.058 20 5 DGBDMO CC(C)[N@H+](CC(=O)N(C)c1ccc([N+](=O)[O-])cc1)CC1CCC1 ZINC000193211466 432457167 /nfs/dbraw/zinc/45/71/67/432457167.db2.gz MCUVIKSDXKDETR-UHFFFAOYSA-N 1 1 319.405 3.068 20 5 DGBDMO CCCC[N@@H+](C)CC1CCN(c2cc(N)ccc2[N+](=O)[O-])CC1 ZINC000192781485 432413111 /nfs/dbraw/zinc/41/31/11/432413111.db2.gz CMGXCKNGADGZLQ-UHFFFAOYSA-N 1 1 320.437 3.125 20 5 DGBDMO C[C@@H]1C[N@@H+](C)[C@H](C)C[C@H]1NCc1cc([N+](=O)[O-])ccc1Cl ZINC000271525461 432415488 /nfs/dbraw/zinc/41/54/88/432415488.db2.gz RCHAAZAQDUSULM-UEKVPHQBSA-N 1 1 311.813 3.067 20 5 DGBDMO C[C@H](CCc1ccccc1[N+](=O)[O-])[NH2+][C@H]1CCCc2c[nH]nc21 ZINC000271565831 432421261 /nfs/dbraw/zinc/42/12/61/432421261.db2.gz XUWAPMTXARNWPA-DOMZBBRYSA-N 1 1 314.389 3.306 20 5 DGBDMO CCOc1ccc([C@H](C)NC[C@H](C)[N@H+](C)C2CC2)cc1[N+](=O)[O-] ZINC000153624234 432427271 /nfs/dbraw/zinc/42/72/71/432427271.db2.gz YMRVYXYHGUNELX-STQMWFEESA-N 1 1 321.421 3.127 20 5 DGBDMO CCOc1ccc([C@H](C)NC[C@H](C)[N@@H+](C)C2CC2)cc1[N+](=O)[O-] ZINC000153624234 432427276 /nfs/dbraw/zinc/42/72/76/432427276.db2.gz YMRVYXYHGUNELX-STQMWFEESA-N 1 1 321.421 3.127 20 5 DGBDMO C[N@@H+](CCC1CCOCC1)Cc1ccc(Cl)c([N+](=O)[O-])c1 ZINC000154214806 432483468 /nfs/dbraw/zinc/48/34/68/432483468.db2.gz AMJPPPJUROCEDP-UHFFFAOYSA-N 1 1 312.797 3.497 20 5 DGBDMO Cc1n[nH]c(C)c1C[N@H+](Cc1cccc([N+](=O)[O-])c1)C1CC1 ZINC000154299773 432489668 /nfs/dbraw/zinc/48/96/68/432489668.db2.gz LJNROAYEZCMNMW-UHFFFAOYSA-N 1 1 300.362 3.099 20 5 DGBDMO Cc1n[nH]c(C)c1C[N@@H+](Cc1cccc([N+](=O)[O-])c1)C1CC1 ZINC000154299773 432489671 /nfs/dbraw/zinc/48/96/71/432489671.db2.gz LJNROAYEZCMNMW-UHFFFAOYSA-N 1 1 300.362 3.099 20 5 DGBDMO Cc1ccc([C@H]2C[C@H](C)CC[N@H+]2CCn2ccc([N+](=O)[O-])n2)o1 ZINC000176286475 432506671 /nfs/dbraw/zinc/50/66/71/432506671.db2.gz QJZPFBJZPYNYED-TZMCWYRMSA-N 1 1 318.377 3.166 20 5 DGBDMO Cc1c([C@@H](C)[NH2+][C@@H](CCO)c2ccco2)cccc1[N+](=O)[O-] ZINC000186556310 432607049 /nfs/dbraw/zinc/60/70/49/432607049.db2.gz NAAIWPJQMAWHHO-OCCSQVGLSA-N 1 1 304.346 3.271 20 5 DGBDMO O=[N+]([O-])c1cnc(Nc2ccc3c(c2)[nH+]c2n3CCCCC2)nc1 ZINC000273594909 432616338 /nfs/dbraw/zinc/61/63/38/432616338.db2.gz ICMHOLIOZKNYGT-UHFFFAOYSA-N 1 1 324.344 3.205 20 5 DGBDMO Cc1c(NC(=O)[C@@H](C)[N@@H+](C)CC(C)(C)C)cccc1[N+](=O)[O-] ZINC000263791720 432578479 /nfs/dbraw/zinc/57/84/79/432578479.db2.gz NRBGNRCSPNVPCH-GFCCVEGCSA-N 1 1 307.394 3.208 20 5 DGBDMO CCOC(=O)[C@]1(C(C)C)CC[N@@H+](Cc2ccc([N+](=O)[O-])cc2)C1 ZINC000194861785 432582440 /nfs/dbraw/zinc/58/24/40/432582440.db2.gz BRUSRZKPAONPOA-QGZVFWFLSA-N 1 1 320.389 3.006 20 5 DGBDMO C[C@H]([N@@H+](C)Cc1cc([N+](=O)[O-])cc2c1OCOC2)C1(C)CC1 ZINC000177214157 432598837 /nfs/dbraw/zinc/59/88/37/432598837.db2.gz PKKZBTKNUPVSLK-NSHDSACASA-N 1 1 306.362 3.082 20 5 DGBDMO COc1ccc(C[N@@H+](C[C@H](C)O)C2CCCCC2)cc1[N+](=O)[O-] ZINC000264209657 432626850 /nfs/dbraw/zinc/62/68/50/432626850.db2.gz SAJPXVNZVABJSE-ZDUSSCGKSA-N 1 1 322.405 3.119 20 5 DGBDMO CC(=O)c1ccc(NC[C@@H](C)[N@H+]2CCC[C@@H](C)C2)c([N+](=O)[O-])c1 ZINC000195666898 432632174 /nfs/dbraw/zinc/63/21/74/432632174.db2.gz MVHIVOJXHJULQP-CHWSQXEVSA-N 1 1 319.405 3.330 20 5 DGBDMO O=[N+]([O-])c1ccc(CC[N@H+]2CCc3cccc(F)c3C2)cc1 ZINC000157882131 432632924 /nfs/dbraw/zinc/63/29/24/432632924.db2.gz MYRZKIVDINNMHY-UHFFFAOYSA-N 1 1 300.333 3.335 20 5 DGBDMO O=C(Nc1cccc([N+](=O)[O-])c1)[C@H]1CC[N@H+](C2CCCCC2)C1 ZINC000177611625 432642427 /nfs/dbraw/zinc/64/24/27/432642427.db2.gz GLBNIXOSJTZRPZ-ZDUSSCGKSA-N 1 1 317.389 3.188 20 5 DGBDMO C[N@@H+](CCc1nccs1)Cc1ccc(Cl)cc1[N+](=O)[O-] ZINC000157374770 432618739 /nfs/dbraw/zinc/61/87/39/432618739.db2.gz USWDQRYBQPCLDH-UHFFFAOYSA-N 1 1 311.794 3.379 20 5 DGBDMO C[C@H]1CCCC[N@H+]1CCCNc1ncc([N+](=O)[O-])cc1Cl ZINC000227648438 432714279 /nfs/dbraw/zinc/71/42/79/432714279.db2.gz BRKPACNCIIYSTF-NSHDSACASA-N 1 1 312.801 3.320 20 5 DGBDMO COc1ccc(OCC[N@@H+](C)Cc2cccs2)c([N+](=O)[O-])c1 ZINC000266541300 432764032 /nfs/dbraw/zinc/76/40/32/432764032.db2.gz PZPQYVJZBAZTHI-UHFFFAOYSA-N 1 1 322.386 3.176 20 5 DGBDMO CC[C@H](C)C[N@@H+](CC)[C@@H](C)C(=O)Nc1ccccc1[N+](=O)[O-] ZINC000160535781 432727054 /nfs/dbraw/zinc/72/70/54/432727054.db2.gz HOHQRLJCUQOEKL-STQMWFEESA-N 1 1 307.394 3.290 20 5 DGBDMO O=[N+]([O-])c1ccc(Cl)cc1C[N@@H+](C[C@H]1CCOC1)C1CC1 ZINC000266911148 432797951 /nfs/dbraw/zinc/79/79/51/432797951.db2.gz LNMLOGNPDNISKS-LLVKDONJSA-N 1 1 310.781 3.249 20 5 DGBDMO Cc1ccc([N+](=O)[O-])cc1[C@H](C)[N@@H+](C)C[C@H]1CCCC[C@@H]1O ZINC000245521007 432838978 /nfs/dbraw/zinc/83/89/78/432838978.db2.gz KFIOFFRPTWZVAM-VBQJREDUSA-N 1 1 306.406 3.447 20 5 DGBDMO C[N@H+]1CCC[C@@H]2CN(C/C=C/c3ccccc3[N+](=O)[O-])CC[C@H]21 ZINC000245742770 432860523 /nfs/dbraw/zinc/86/05/23/432860523.db2.gz GJCKUFWFWRTEEF-SLLSNFPASA-N 1 1 315.417 3.024 20 5 DGBDMO CC[N@@H+](C)Cc1cccc(CNc2ccc([N+](=O)[O-])c(C)n2)c1 ZINC000268439330 432871949 /nfs/dbraw/zinc/87/19/49/432871949.db2.gz CSDJHMFCMKJANB-UHFFFAOYSA-N 1 1 314.389 3.362 20 5 DGBDMO CS[C@@H]1CC[N@@H+](Cc2coc(-c3ccc([N+](=O)[O-])cc3)n2)C1 ZINC000296259586 432889426 /nfs/dbraw/zinc/88/94/26/432889426.db2.gz LUBMBQIYKRUFLR-CQSZACIVSA-N 1 1 319.386 3.187 20 5 DGBDMO COc1cc(C[N@H+]2CC[C@@H](C)[C@H](C)C2)c([N+](=O)[O-])cc1OC ZINC000245703607 432856803 /nfs/dbraw/zinc/85/68/03/432856803.db2.gz DOKGPQADMHOKFY-VXGBXAGGSA-N 1 1 308.378 3.090 20 5 DGBDMO CC(C)c1ccc(C[N@@H+]2CCC[C@H]2C[C@H](C)O)cc1[N+](=O)[O-] ZINC000245712078 432857741 /nfs/dbraw/zinc/85/77/41/432857741.db2.gz GFBNFFRROAJBOA-ZFWWWQNUSA-N 1 1 306.406 3.454 20 5 DGBDMO CC[C@@H]1CC[C@H](C)[N@H+]1CC(=O)Nc1cc([N+](=O)[O-])ccc1C ZINC000330650961 432922865 /nfs/dbraw/zinc/92/28/65/432922865.db2.gz JWOOTNOSQIPBAE-QWHCGFSZSA-N 1 1 305.378 3.105 20 5 DGBDMO Cc1cccc([N+](=O)[O-])c1NC(=O)C[NH+]1CCC(C(C)C)CC1 ZINC000331270344 432938208 /nfs/dbraw/zinc/93/82/08/432938208.db2.gz FVTBYKWNDWYWSX-UHFFFAOYSA-N 1 1 319.405 3.210 20 5 DGBDMO Cc1c(C[N@H+]2CC(C)(C)[C@@H]2[C@@H]2CCCO2)cccc1[N+](=O)[O-] ZINC000289640694 432971068 /nfs/dbraw/zinc/97/10/68/432971068.db2.gz FPSCPIVXNWOSHF-HOTGVXAUSA-N 1 1 304.390 3.293 20 5 DGBDMO C[N@H+](Cc1nc2cc([N+](=O)[O-])ccc2[nH]1)CC1CCCCC1 ZINC000332394265 433004290 /nfs/dbraw/zinc/00/42/90/433004290.db2.gz YAWMSODXJKBYOF-UHFFFAOYSA-N 1 1 302.378 3.483 20 5 DGBDMO Cc1cc([N+](=O)[O-])ccc1C[N@@H+](C)CCCC(=O)OC(C)(C)C ZINC000349964697 433043026 /nfs/dbraw/zinc/04/30/26/433043026.db2.gz KMPHOXTUHZLTDX-UHFFFAOYSA-N 1 1 322.405 3.457 20 5 DGBDMO O=[N+]([O-])c1ccc(C[N@H+]2CC3(CCOCC3)[C@@H]2C2CC2)c(F)c1 ZINC000354429429 433074762 /nfs/dbraw/zinc/07/47/62/433074762.db2.gz LULGMUAQWRNFSB-INIZCTEOSA-N 1 1 320.364 3.125 20 5 DGBDMO O=[N+]([O-])c1ccc(C[NH2+]Cc2ccc3c(c2)COC3)c(F)c1 ZINC000350344560 433140248 /nfs/dbraw/zinc/14/02/48/433140248.db2.gz ZWRFNNKNMMCMPD-UHFFFAOYSA-N 1 1 302.305 3.054 20 5 DGBDMO O=[N+]([O-])c1ccc2c(c1)C[N@H+]([C@@H]1C[C@@H]1c1ccccc1)CCO2 ZINC000361377377 433141089 /nfs/dbraw/zinc/14/10/89/433141089.db2.gz ONDHGPGNIANDMR-IAGOWNOFSA-N 1 1 310.353 3.345 20 5 DGBDMO O=[N+]([O-])c1ccc2c(c1)C[N@@H+]([C@@H]1C[C@@H]1c1ccccc1)CCO2 ZINC000361377377 433141096 /nfs/dbraw/zinc/14/10/96/433141096.db2.gz ONDHGPGNIANDMR-IAGOWNOFSA-N 1 1 310.353 3.345 20 5 DGBDMO CC(C)CC[C@@H](O)C[N@@H+](Cc1ccccc1[N+](=O)[O-])C1CC1 ZINC000361320164 433105421 /nfs/dbraw/zinc/10/54/21/433105421.db2.gz GKMNALCGPIUMHU-MRXNPFEDSA-N 1 1 306.406 3.356 20 5 DGBDMO COc1cccnc1C[NH2+][C@@H](C)c1cccc([N+](=O)[O-])c1C ZINC000453348512 433112902 /nfs/dbraw/zinc/11/29/02/433112902.db2.gz CPCJTDFHOHLAAV-LBPRGKRZSA-N 1 1 301.346 3.158 20 5 DGBDMO C[C@@H](Cc1ccccc1[N+](=O)[O-])[N@H+]1CCC[C@@]2(CCOC2)C1 ZINC000453355799 433118128 /nfs/dbraw/zinc/11/81/28/433118128.db2.gz IUFLEEBGWLBVED-WMLDXEAASA-N 1 1 304.390 3.028 20 5 DGBDMO CC(C)[C@@]1(CO)CCC[N@@H+](C/C=C\c2ccccc2[N+](=O)[O-])C1 ZINC000354569423 433155149 /nfs/dbraw/zinc/15/51/49/433155149.db2.gz PLNDZIOXZDRUJW-MTIYJEKLSA-N 1 1 318.417 3.339 20 5 DGBDMO C[N@@H+](CC(=O)Nc1ccccc1[N+](=O)[O-])[C@@H]1CCC(C)(C)C1 ZINC000361470883 433191277 /nfs/dbraw/zinc/19/12/77/433191277.db2.gz PLQQOCMHPGWAAR-GFCCVEGCSA-N 1 1 305.378 3.044 20 5 DGBDMO C[C@@H](CO)[N@H+](Cc1c(Cl)cccc1[N+](=O)[O-])CC1CCC1 ZINC000361494073 433205301 /nfs/dbraw/zinc/20/53/01/433205301.db2.gz WKGOLMYQXNMGPC-NSHDSACASA-N 1 1 312.797 3.231 20 5 DGBDMO COC(=O)c1coc([C@H](C)[NH2+]Cc2cccc([N+](=O)[O-])c2C)c1 ZINC000447602089 433244641 /nfs/dbraw/zinc/24/46/41/433244641.db2.gz SNUXFSWOPVNXMG-NSHDSACASA-N 1 1 318.329 3.134 20 5 DGBDMO Cc1cc(C[NH2+]Cc2nc3cc([N+](=O)[O-])ccc3[nH]2)ccc1F ZINC000341849501 433315242 /nfs/dbraw/zinc/31/52/42/433315242.db2.gz ZTYOKYSFNFPZHR-UHFFFAOYSA-N 1 1 314.320 3.208 20 5 DGBDMO CC(=O)c1ccc(NC[C@@H]2[N@@H+](C)CCCC2(C)C)c([N+](=O)[O-])c1 ZINC000447813413 433287178 /nfs/dbraw/zinc/28/71/78/433287178.db2.gz RRGIVFUHWLQGQA-INIZCTEOSA-N 1 1 319.405 3.330 20 5 DGBDMO Cc1cnc(NC[C@H]2CCC[N@H+](CC(C)C)C2)c([N+](=O)[O-])c1 ZINC000448061978 433358690 /nfs/dbraw/zinc/35/86/90/433358690.db2.gz ZQCXLGGCUDVTCE-CQSZACIVSA-N 1 1 306.410 3.078 20 5 DGBDMO CC[N@@H+](CCC1CC1)[C@H](C)C(=O)Nc1cccc([N+](=O)[O-])c1C ZINC000355033539 433427989 /nfs/dbraw/zinc/42/79/89/433427989.db2.gz BOWLWONVXWRBAW-CYBMUJFWSA-N 1 1 319.405 3.352 20 5 DGBDMO C[C@@H]1[C@@H](CO)CC[N@H+]1Cc1ccc(-c2ccc([N+](=O)[O-])cc2)o1 ZINC000425971564 433388454 /nfs/dbraw/zinc/38/84/54/433388454.db2.gz QKVGBIIYKSNRSV-TZMCWYRMSA-N 1 1 316.357 3.058 20 5 DGBDMO Cc1ccc([C@@H](C)[NH2+][C@H](C)c2cc3n(n2)CCC3)cc1[N+](=O)[O-] ZINC000414089928 433389740 /nfs/dbraw/zinc/38/97/40/433389740.db2.gz KKRXTLAWOIPEGY-CHWSQXEVSA-N 1 1 314.389 3.458 20 5 DGBDMO Cn1cnc([N+](=O)[O-])c1C[N@H+]1CC[C@@H](c2ccccc2)C1(C)C ZINC000421029188 433394976 /nfs/dbraw/zinc/39/49/76/433394976.db2.gz XGPCFTIVYWTBFA-AWEZNQCLSA-N 1 1 314.389 3.096 20 5 DGBDMO O=[N+]([O-])c1ccc(NCC[N@H+]2CCc3ccccc3C2)c(F)c1 ZINC000301106034 433417033 /nfs/dbraw/zinc/41/70/33/433417033.db2.gz VSNRFCVKVJEEFG-UHFFFAOYSA-N 1 1 315.348 3.204 20 5 DGBDMO CCOc1ccc([C@@H](C)[NH2+]Cc2cnc(C)o2)cc1[N+](=O)[O-] ZINC000414184932 433449263 /nfs/dbraw/zinc/44/92/63/433449263.db2.gz OXVDDQWHGIDACI-SNVBAGLBSA-N 1 1 305.334 3.141 20 5 DGBDMO Cc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@H+](C)CC(C)(C)C ZINC000339254293 433474828 /nfs/dbraw/zinc/47/48/28/433474828.db2.gz PEZYZJLKOIIEAH-UHFFFAOYSA-N 1 1 307.394 3.210 20 5 DGBDMO C[C@H]([NH2+]Cc1ccc([N+](=O)[O-])cc1)c1nc2c(s1)CCC2 ZINC000355120633 433478247 /nfs/dbraw/zinc/47/82/47/433478247.db2.gz MPUFLUOEQJBGCV-JTQLQIEISA-N 1 1 303.387 3.391 20 5 DGBDMO COc1cc(NC[C@@H](C)[N@H+]2CCC[C@@H](C)C2)ccc1[N+](=O)[O-] ZINC000301327943 433510719 /nfs/dbraw/zinc/51/07/19/433510719.db2.gz AAKPDMOGUHGXHF-CHWSQXEVSA-N 1 1 307.394 3.136 20 5 DGBDMO CCO[C@H]1C[C@@H]([N@@H+](C)Cc2cccc([N+](=O)[O-])c2)C12CCC2 ZINC000355175232 433511548 /nfs/dbraw/zinc/51/15/48/433511548.db2.gz LUPBYRPUMCMURF-CVEARBPZSA-N 1 1 304.390 3.374 20 5 DGBDMO CCO[C@@H]1C[C@@H]([N@@H+](C)Cc2ccc([N+](=O)[O-])cc2)C12CCC2 ZINC000355191260 433521519 /nfs/dbraw/zinc/52/15/19/433521519.db2.gz ZJYKSASICIYHBI-HZPDHXFCSA-N 1 1 304.390 3.374 20 5 DGBDMO C[C@@H]1C[N@@H+](C)[C@H](C)CN1c1ccc([N+](=O)[O-])c(C(F)(F)F)c1 ZINC000351499953 433535429 /nfs/dbraw/zinc/53/54/29/433535429.db2.gz DSTHIKNFVLCTHS-NXEZZACHSA-N 1 1 317.311 3.142 20 5 DGBDMO COCc1cc([N+](=O)[O-])ccc1NC[C@@H](C)[N@H+]1CCC[C@@H](C)C1 ZINC000301446868 433561685 /nfs/dbraw/zinc/56/16/85/433561685.db2.gz QHLQBGQPGIFXJM-ZIAGYGMSSA-N 1 1 321.421 3.274 20 5 DGBDMO C[N@@H+](CCCOCC(F)(F)F)CCc1cccc([N+](=O)[O-])c1 ZINC000282328319 433566657 /nfs/dbraw/zinc/56/66/57/433566657.db2.gz APBXLBYMEZMCAG-UHFFFAOYSA-N 1 1 320.311 3.038 20 5 DGBDMO CC(C)[C@H]([NH2+]Cc1c([N+](=O)[O-])ncn1C)c1ccc(F)cc1F ZINC000342277667 433578053 /nfs/dbraw/zinc/57/80/53/433578053.db2.gz DYMZZMSDXKCXPU-AWEZNQCLSA-N 1 1 324.331 3.093 20 5 DGBDMO CC(C)[C@@H]([NH2+]Cc1c([N+](=O)[O-])ncn1C)c1ccc(F)cc1F ZINC000342278626 433578326 /nfs/dbraw/zinc/57/83/26/433578326.db2.gz DYMZZMSDXKCXPU-CQSZACIVSA-N 1 1 324.331 3.093 20 5 DGBDMO Cc1ccc(C[N@@H+](Cc2ccc([N+](=O)[O-])cc2)C(C)C)nn1 ZINC000414374404 433581349 /nfs/dbraw/zinc/58/13/49/433581349.db2.gz VLFQRXQXSNQVDW-UHFFFAOYSA-N 1 1 300.362 3.104 20 5 DGBDMO Cc1ccc(C[N@H+](Cc2ccc([N+](=O)[O-])cc2)C(C)C)nn1 ZINC000414374404 433581355 /nfs/dbraw/zinc/58/13/55/433581355.db2.gz VLFQRXQXSNQVDW-UHFFFAOYSA-N 1 1 300.362 3.104 20 5 DGBDMO COCC[N@@H+](CCc1ccccc1)Cc1ccccc1[N+](=O)[O-] ZINC000351568157 433581680 /nfs/dbraw/zinc/58/16/80/433581680.db2.gz MBLXMKGYXHMMHV-UHFFFAOYSA-N 1 1 314.385 3.286 20 5 DGBDMO O=[N+]([O-])c1ccccc1/C=C/C[N@@H+]1CCC[C@H](CCO)CC1 ZINC000421399042 433543901 /nfs/dbraw/zinc/54/39/01/433543901.db2.gz PHVHFCNORCGSEU-SZTZYQKNSA-N 1 1 304.390 3.093 20 5 DGBDMO C[C@H]1C[C@H](Nc2ncccc2[N+](=O)[O-])C[N@H+]1Cc1ccccc1 ZINC000301611966 433636771 /nfs/dbraw/zinc/63/67/71/433636771.db2.gz FFAWGUWYPNFWIU-ZFWWWQNUSA-N 1 1 312.373 3.065 20 5 DGBDMO C[N@@H+](CCNc1ccc([N+](=O)[O-])cc1F)Cc1ccc(F)cc1 ZINC000301524887 433594729 /nfs/dbraw/zinc/59/47/29/433594729.db2.gz IMYJGVQUXKHVOL-UHFFFAOYSA-N 1 1 321.327 3.417 20 5 DGBDMO CC(=O)c1cc(N(C)CC[C@@H]2CCCC[N@H+]2C)ccc1[N+](=O)[O-] ZINC000342296093 433597688 /nfs/dbraw/zinc/59/76/88/433597688.db2.gz RDFSCLYRAWTBJS-AWEZNQCLSA-N 1 1 319.405 3.108 20 5 DGBDMO CC[N@H+]1CCCC[C@@H]1CNc1ccc([N+](=O)[O-])cc1COC ZINC000301534392 433598641 /nfs/dbraw/zinc/59/86/41/433598641.db2.gz LEYGLLRUHAVIFP-OAHLLOKOSA-N 1 1 307.394 3.028 20 5 DGBDMO CCC[N@H+](Cc1cc(OC)c(OC)cc1[N+](=O)[O-])CC(C)C ZINC000351607562 433611633 /nfs/dbraw/zinc/61/16/33/433611633.db2.gz LXCZXLYTMNGACW-UHFFFAOYSA-N 1 1 310.394 3.480 20 5 DGBDMO O=[N+]([O-])c1ccc(OC(F)F)c(C[NH2+][C@H]2CCC[C@H]2F)c1 ZINC000339589209 433670444 /nfs/dbraw/zinc/67/04/44/433670444.db2.gz FQXYZNKSEWJKEA-MNOVXSKESA-N 1 1 304.268 3.176 20 5 DGBDMO Cc1cc(C[N@H+]2CC[C@H](Nc3ccc([N+](=O)[O-])cn3)C2)cs1 ZINC000449027322 433677483 /nfs/dbraw/zinc/67/74/83/433677483.db2.gz IJLJYPAOQQSWRH-ZDUSSCGKSA-N 1 1 318.402 3.046 20 5 DGBDMO C[N@H+]1CCC[C@H]2CN(c3ccc(Cl)cc3[N+](=O)[O-])CC[C@@H]21 ZINC000301720424 433689896 /nfs/dbraw/zinc/68/98/96/433689896.db2.gz PVGRJBSMJFNPFU-AAEUAGOBSA-N 1 1 309.797 3.169 20 5 DGBDMO Cc1cc(N2CC[C@@H]3[C@H](CCC[N@@H+]3C)C2)c(Cl)cc1[N+](=O)[O-] ZINC000301727450 433694492 /nfs/dbraw/zinc/69/44/92/433694492.db2.gz VTWOEKOTEGAMSA-TZMCWYRMSA-N 1 1 323.824 3.477 20 5 DGBDMO Cn1cccc1[C@@H]1CCC[N@@H+]1Cc1ccc([N+](=O)[O-])c(F)c1 ZINC000283266485 433702915 /nfs/dbraw/zinc/70/29/15/433702915.db2.gz WKWUVKPNHNUOIV-INIZCTEOSA-N 1 1 303.337 3.410 20 5 DGBDMO Cn1cccc1[C@@H]1CCC[N@H+]1Cc1ccc([N+](=O)[O-])c(F)c1 ZINC000283266485 433702920 /nfs/dbraw/zinc/70/29/20/433702920.db2.gz WKWUVKPNHNUOIV-INIZCTEOSA-N 1 1 303.337 3.410 20 5 DGBDMO Cc1ccc([C@@H]2CCCCC[N@H+]2Cc2c([N+](=O)[O-])ncn2C)o1 ZINC000370044994 293151835 /nfs/dbraw/zinc/15/18/35/293151835.db2.gz JIXLPSLYVJHTOC-ZDUSSCGKSA-N 1 1 318.377 3.347 20 5 DGBDMO Cc1ccc([C@@H]2CCCCC[N@@H+]2Cc2c([N+](=O)[O-])ncn2C)o1 ZINC000370044994 293151837 /nfs/dbraw/zinc/15/18/37/293151837.db2.gz JIXLPSLYVJHTOC-ZDUSSCGKSA-N 1 1 318.377 3.347 20 5 DGBDMO C[C@@H]1[C@H](C)N(c2ccc([N+](=O)[O-])c(C(F)(F)F)c2)CC[N@@H+]1C ZINC000356790691 433699440 /nfs/dbraw/zinc/69/94/40/433699440.db2.gz HRALQHHASCJCDH-ZJUUUORDSA-N 1 1 317.311 3.142 20 5 DGBDMO CC[C@H]1CCCC[N@H+]1CCNc1ncc(Cl)cc1[N+](=O)[O-] ZINC000301747575 433706680 /nfs/dbraw/zinc/70/66/80/433706680.db2.gz RDGRZRFHZGJCSJ-LBPRGKRZSA-N 1 1 312.801 3.320 20 5 DGBDMO CC(C)c1ccc(C[N@H+]2CCC[C@@](C)(O)CC2)cc1[N+](=O)[O-] ZINC000373482488 293280564 /nfs/dbraw/zinc/28/05/64/293280564.db2.gz SDRHPTBUQCNOGB-QGZVFWFLSA-N 1 1 306.406 3.455 20 5 DGBDMO C[C@@H]1C[C@@H](C)CC[N@H+]1CCC(=O)Nc1ccccc1[N+](=O)[O-] ZINC000283376491 433713419 /nfs/dbraw/zinc/71/34/19/433713419.db2.gz SORDXVIWNVECEB-QWHCGFSZSA-N 1 1 305.378 3.044 20 5 DGBDMO CN(c1ccc([N+](=O)[O-])c(C(F)(F)F)c1)[C@H]1CCC[N@@H+](C)C1 ZINC000301839525 433753323 /nfs/dbraw/zinc/75/33/23/433753323.db2.gz XOMYUDPUSXYCQA-NSHDSACASA-N 1 1 317.311 3.144 20 5 DGBDMO C[C@H](C1CC1)[N@@H+](Cc1ccc([N+](=O)[O-])cc1[N+](=O)[O-])C1CC1 ZINC000284044389 433823252 /nfs/dbraw/zinc/82/32/52/433823252.db2.gz JDZXTRJSZROHFS-SNVBAGLBSA-N 1 1 305.334 3.266 20 5 DGBDMO CC[N@H+]1CCCC[C@@H]1CNc1ccnc2c1cccc2[N+](=O)[O-] ZINC000432341208 433823564 /nfs/dbraw/zinc/82/35/64/433823564.db2.gz UXVGXGAWWINIEA-CYBMUJFWSA-N 1 1 314.389 3.429 20 5 DGBDMO O=[N+]([O-])c1cccc(OCC[N@@H+]2CCc3c(F)cccc3C2)c1 ZINC000339783397 433780949 /nfs/dbraw/zinc/78/09/49/433780949.db2.gz RFLLJLVAJDDXEA-UHFFFAOYSA-N 1 1 316.332 3.171 20 5 DGBDMO O=[N+]([O-])c1cccc(OCC[N@H+]2CCc3c(F)cccc3C2)c1 ZINC000339783397 433780955 /nfs/dbraw/zinc/78/09/55/433780955.db2.gz RFLLJLVAJDDXEA-UHFFFAOYSA-N 1 1 316.332 3.171 20 5 DGBDMO C[C@@H]1[C@H](Nc2ccc([N+](=O)[O-])c3cnccc23)CCC[N@H+]1C ZINC000343480377 433812124 /nfs/dbraw/zinc/81/21/24/433812124.db2.gz QWHQUWVJKMKFSG-BXUZGUMPSA-N 1 1 300.362 3.038 20 5 DGBDMO C[NH+](C)[C@H](CN[C@H]1CC(C)(C)c2ccc([N+](=O)[O-])cc21)C1CC1 ZINC000433160611 433844377 /nfs/dbraw/zinc/84/43/77/433844377.db2.gz WAZJJIJEXFBMQD-DLBZAZTESA-N 1 1 317.433 3.247 20 5 DGBDMO C[C@@H]1Oc2cc(F)ccc2[C@@H]1[NH2+]Cc1ccc([N+](=O)[O-])cc1 ZINC000377394812 293654162 /nfs/dbraw/zinc/65/41/62/293654162.db2.gz AEUIQPSUNOFJFC-MGPLVRAMSA-N 1 1 302.305 3.346 20 5 DGBDMO CC[N@H+]1C[C@@H](C)N(c2ccc3cc([N+](=O)[O-])ccc3n2)C[C@H]1C ZINC000345189563 433901784 /nfs/dbraw/zinc/90/17/84/433901784.db2.gz KNGSRDWXCIRLGY-CHWSQXEVSA-N 1 1 314.389 3.062 20 5 DGBDMO CN(Cc1cc([N+](=O)[O-])ccc1Cl)C1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC000285386334 433932332 /nfs/dbraw/zinc/93/23/32/433932332.db2.gz DCUDPDOOZPLXMQ-NNQSOWQGSA-N 1 1 323.824 3.305 20 5 DGBDMO O=[N+]([O-])c1ccc(-c2ccc(C[N@@H+]3CCC[C@H](O)CC3)o2)cc1 ZINC000294034568 433971249 /nfs/dbraw/zinc/97/12/49/433971249.db2.gz OOBNHOLNBWYDHB-HNNXBMFYSA-N 1 1 316.357 3.202 20 5 DGBDMO C[N@@H+](CCc1ccccc1[N+](=O)[O-])Cc1nc2ccccc2o1 ZINC000352539211 434041118 /nfs/dbraw/zinc/04/11/18/434041118.db2.gz VJTMYDBWZLMAFI-UHFFFAOYSA-N 1 1 311.341 3.411 20 5 DGBDMO Cn1ccnc1[C@@H]([NH2+]CCC(C)(C)C)c1cccc([N+](=O)[O-])c1 ZINC000353382831 434096750 /nfs/dbraw/zinc/09/67/50/434096750.db2.gz CTEDGHOOKWMJDH-HNNXBMFYSA-N 1 1 316.405 3.444 20 5 DGBDMO Cc1noc(C)c1C(C)(C)[NH2+]Cc1ccc([N+](=O)[O-])c(F)c1 ZINC000285728536 434049991 /nfs/dbraw/zinc/04/99/91/434049991.db2.gz QMWIJRXMZDNHMC-UHFFFAOYSA-N 1 1 307.325 3.364 20 5 DGBDMO C[C@H]([NH2+]CCCCc1ccc([N+](=O)[O-])cc1)[C@H]1CCCCN1 ZINC000422918012 434109858 /nfs/dbraw/zinc/10/98/58/434109858.db2.gz HCNOSKFDVZHYGN-WMLDXEAASA-N 1 1 305.422 3.038 20 5 DGBDMO C[NH+](C)[C@@H](c1nc(-c2cccc([N+](=O)[O-])c2)no1)c1ccccc1 ZINC000504259327 294211923 /nfs/dbraw/zinc/21/19/23/294211923.db2.gz HNHLYOMOZYBEMN-OAHLLOKOSA-N 1 1 324.340 3.296 20 5 DGBDMO O=[N+]([O-])c1ccc(N[C@H]2CC[N@H+](C3CC3)C2)cc1C(F)(F)F ZINC000314956662 434154849 /nfs/dbraw/zinc/15/48/49/434154849.db2.gz NWPYSDHHPCYYDO-JTQLQIEISA-N 1 1 315.295 3.262 20 5 DGBDMO O=[N+]([O-])c1ccc(N[C@H]2CC[N@H+]3CCC[C@H]3C2)c2ccncc21 ZINC000363942317 434190476 /nfs/dbraw/zinc/19/04/76/434190476.db2.gz BFVAQEHGGWAAKP-STQMWFEESA-N 1 1 312.373 3.182 20 5 DGBDMO O=[N+]([O-])c1ccc(N[C@@H]2CC[N@H+]3CCC[C@@H]3C2)c2ccncc21 ZINC000363942313 434192886 /nfs/dbraw/zinc/19/28/86/434192886.db2.gz BFVAQEHGGWAAKP-CHWSQXEVSA-N 1 1 312.373 3.182 20 5 DGBDMO CCc1cc(CCC[N@@H+]2CCc3ccc([N+](=O)[O-])cc3C2)on1 ZINC000450483356 434215759 /nfs/dbraw/zinc/21/57/59/434215759.db2.gz IIBCIOTWOKXXRF-UHFFFAOYSA-N 1 1 315.373 3.136 20 5 DGBDMO CCc1cc(CCC[N@H+]2CCc3ccc([N+](=O)[O-])cc3C2)on1 ZINC000450483356 434215770 /nfs/dbraw/zinc/21/57/70/434215770.db2.gz IIBCIOTWOKXXRF-UHFFFAOYSA-N 1 1 315.373 3.136 20 5 DGBDMO Cc1ccc([N+](=O)[O-])cc1[C@H](C)[NH2+][C@H]1C[C@H](C)n2ccnc21 ZINC000515208007 294545870 /nfs/dbraw/zinc/54/58/70/294545870.db2.gz DOGVJBAXZREYLK-HUBLWGQQSA-N 1 1 300.362 3.456 20 5 DGBDMO CC[C@H](NC1C[C@H]2CC[C@@H](C1)[N@H+]2C)c1cccc([N+](=O)[O-])c1 ZINC000322820728 434263557 /nfs/dbraw/zinc/26/35/57/434263557.db2.gz CEKNZHNLJBETCJ-BTFYYFJDSA-N 1 1 303.406 3.261 20 5 DGBDMO CC[C@H](NC1C[C@H]2CC[C@@H](C1)[N@@H+]2C)c1cccc([N+](=O)[O-])c1 ZINC000322820728 434263562 /nfs/dbraw/zinc/26/35/62/434263562.db2.gz CEKNZHNLJBETCJ-BTFYYFJDSA-N 1 1 303.406 3.261 20 5 DGBDMO CN1CC[N@@H+](CCc2ccc([N+](=O)[O-])cc2)Cc2ccccc21 ZINC000340650533 434269866 /nfs/dbraw/zinc/26/98/66/434269866.db2.gz IXNOJAVNLPJXGN-UHFFFAOYSA-N 1 1 311.385 3.089 20 5 DGBDMO CC(C)[N@H+](C)C[C@H](C)N[C@@H]1CCCc2ccc([N+](=O)[O-])cc21 ZINC000353568480 434232603 /nfs/dbraw/zinc/23/26/03/434232603.db2.gz JMJAWCHZGRTCJZ-SUMWQHHRSA-N 1 1 305.422 3.291 20 5 DGBDMO CC(C)N(C)C[C@H](C)[NH2+][C@@H]1CCCc2ccc([N+](=O)[O-])cc21 ZINC000353568480 434232610 /nfs/dbraw/zinc/23/26/10/434232610.db2.gz JMJAWCHZGRTCJZ-SUMWQHHRSA-N 1 1 305.422 3.291 20 5 DGBDMO CC(C)[N@H+]1CC[C@@H](CNc2ccc3cc([N+](=O)[O-])ccc3n2)C1 ZINC000320388003 434238377 /nfs/dbraw/zinc/23/83/77/434238377.db2.gz SIFUXPMMIQMFMK-ZDUSSCGKSA-N 1 1 314.389 3.285 20 5 DGBDMO Cn1cnc([N+](=O)[O-])c1C[N@H+](Cc1ccccc1)C(C)(C)C ZINC000353652171 434304602 /nfs/dbraw/zinc/30/46/02/434304602.db2.gz FHXNFWMWGMAKOU-UHFFFAOYSA-N 1 1 302.378 3.129 20 5 DGBDMO Cn1cnc([N+](=O)[O-])c1C[N@@H+](Cc1ccccc1)C(C)(C)C ZINC000353652171 434304614 /nfs/dbraw/zinc/30/46/14/434304614.db2.gz FHXNFWMWGMAKOU-UHFFFAOYSA-N 1 1 302.378 3.129 20 5 DGBDMO [NH3+][C@@H](CN[C@@H]1CCCc2ccc([N+](=O)[O-])cc21)c1ccccc1 ZINC000423238832 434306201 /nfs/dbraw/zinc/30/62/01/434306201.db2.gz JOXQONQIXUMZIW-ZWKOTPCHSA-N 1 1 311.385 3.262 20 5 DGBDMO CC[C@@H](CSc1ccccc1[N+](=O)[O-])NC[C@@H]([NH3+])C(C)C ZINC000423279211 434334110 /nfs/dbraw/zinc/33/41/10/434334110.db2.gz RUCVKHSNOHUTAX-QWHCGFSZSA-N 1 1 311.451 3.038 20 5 DGBDMO Cc1c([C@H](C)[NH2+][C@@H](CN)C2CCCCC2)cccc1[N+](=O)[O-] ZINC000423261113 434320396 /nfs/dbraw/zinc/32/03/96/434320396.db2.gz JBRLDCMBIMZVMB-BBRMVZONSA-N 1 1 305.422 3.461 20 5 DGBDMO Cc1c([C@H](C)[NH2+][C@H](CN)C2CCCCC2)cccc1[N+](=O)[O-] ZINC000423261116 434325704 /nfs/dbraw/zinc/32/57/04/434325704.db2.gz JBRLDCMBIMZVMB-XJKSGUPXSA-N 1 1 305.422 3.461 20 5 DGBDMO CCC[N@@H+](Cc1cc([N+](=O)[O-])ccc1OC(C)C)CC(C)(C)O ZINC000357997373 434277595 /nfs/dbraw/zinc/27/75/95/434277595.db2.gz CMUPCYZQQIIBPS-UHFFFAOYSA-N 1 1 324.421 3.365 20 5 DGBDMO CC(C)[N@H+]1CC[C@@H](CNc2ccc([N+](=O)[O-])c3cnccc23)C1 ZINC000390463925 434363440 /nfs/dbraw/zinc/36/34/40/434363440.db2.gz FRPROSKFPPPIDN-ZDUSSCGKSA-N 1 1 314.389 3.285 20 5 DGBDMO CC[C@H](CSc1ccccc1[N+](=O)[O-])NC[C@@H]([NH3+])C(C)C ZINC000423279209 434335749 /nfs/dbraw/zinc/33/57/49/434335749.db2.gz RUCVKHSNOHUTAX-CHWSQXEVSA-N 1 1 311.451 3.038 20 5 DGBDMO C[C@H](NC[C@@H]1[NH2+]CCc2ccccc21)c1cccc([N+](=O)[O-])c1 ZINC000423421096 434416834 /nfs/dbraw/zinc/41/68/34/434416834.db2.gz JRTNHSPRGZFPHP-UGSOOPFHSA-N 1 1 311.385 3.132 20 5 DGBDMO COc1cc([N+](=O)[O-])ccc1C[N@@H+]1CCC[C@H]1c1cccn1C ZINC000366616095 434463509 /nfs/dbraw/zinc/46/35/09/434463509.db2.gz CLKZZROGLDAWTN-INIZCTEOSA-N 1 1 315.373 3.279 20 5 DGBDMO COc1cc([N+](=O)[O-])ccc1C[N@H+]1CCC[C@H]1c1cccn1C ZINC000366616095 434463516 /nfs/dbraw/zinc/46/35/16/434463516.db2.gz CLKZZROGLDAWTN-INIZCTEOSA-N 1 1 315.373 3.279 20 5 DGBDMO COc1cc(C[N@H+]2CCC[C@@H](C(C)C)C2)c([N+](=O)[O-])cc1OC ZINC000438345553 434463632 /nfs/dbraw/zinc/46/36/32/434463632.db2.gz HWSLSBZNZVULGK-CYBMUJFWSA-N 1 1 322.405 3.480 20 5 DGBDMO C[C@H]([NH2+][C@H](c1nccn1C)C1CC1)c1ccc([N+](=O)[O-])cc1 ZINC000353860476 434487789 /nfs/dbraw/zinc/48/77/89/434487789.db2.gz DZYLKCGHIZPCPA-NHYWBVRUSA-N 1 1 300.362 3.130 20 5 DGBDMO CC1(C)CCC[N@H+]1CCNc1ccc([N+](=O)[O-])c2cnccc12 ZINC000450948946 434498286 /nfs/dbraw/zinc/49/82/86/434498286.db2.gz IFUWVPLTHCEXOG-UHFFFAOYSA-N 1 1 314.389 3.429 20 5 DGBDMO CC(C)c1ccc(CN2CC[C@]3(CC[N@@H+](C)C3)C2)cc1[N+](=O)[O-] ZINC000366571590 434451058 /nfs/dbraw/zinc/45/10/58/434451058.db2.gz XVIFLMPACYDIAE-SFHVURJKSA-N 1 1 317.433 3.246 20 5 DGBDMO CO[C@H](C)C[N@@H+](C)Cc1ccc(-c2cccc([N+](=O)[O-])c2)o1 ZINC000348838981 434521139 /nfs/dbraw/zinc/52/11/39/434521139.db2.gz SHDIPFYCDYPEBZ-GFCCVEGCSA-N 1 1 304.346 3.322 20 5 DGBDMO CCc1ccc([N+](=O)[O-])cc1NC(=O)NCC[N@H+](C)[C@@H](C)CC ZINC000353925521 434528498 /nfs/dbraw/zinc/52/84/98/434528498.db2.gz YSEPYQKJXNRDMP-LBPRGKRZSA-N 1 1 322.409 3.009 20 5 DGBDMO C[C@@H]1C[C@@H](c2ccccc2)CC[N@H+]1CCn1ccc([N+](=O)[O-])n1 ZINC000366877522 434529191 /nfs/dbraw/zinc/52/91/91/434529191.db2.gz CFGATMWJYYSRNL-ZBFHGGJFSA-N 1 1 314.389 3.059 20 5 DGBDMO COc1ccc(C[N@@H+](C)[C@@H]2C[C@@](C)(OC)C2(C)C)cc1[N+](=O)[O-] ZINC000353933509 434531671 /nfs/dbraw/zinc/53/16/71/434531671.db2.gz NKIXSMWOALIFRQ-NVXWUHKLSA-N 1 1 322.405 3.239 20 5 DGBDMO CC[N@H+]1C[C@@H](C)N(Cc2ccc([N+](=O)[O-])cc2Cl)C[C@H]1C ZINC000360211527 434549530 /nfs/dbraw/zinc/54/95/30/434549530.db2.gz DTJRJLFOPHIWPC-VXGBXAGGSA-N 1 1 311.813 3.163 20 5 DGBDMO C[C@@H]1CC[N@@H+](CCC(=O)Nc2ccc([N+](=O)[O-])cc2)CC1(C)C ZINC000354012783 434576121 /nfs/dbraw/zinc/57/61/21/434576121.db2.gz AVHOREODRFJFML-CYBMUJFWSA-N 1 1 319.405 3.291 20 5 DGBDMO CCOC(=O)c1coc(C[NH2+][C@H](C)c2cccc([N+](=O)[O-])c2)c1 ZINC000354133747 434638189 /nfs/dbraw/zinc/63/81/89/434638189.db2.gz JOXKTMQBBMEQDP-LLVKDONJSA-N 1 1 318.329 3.215 20 5 DGBDMO CC(C)n1cncc1C[NH2+]Cc1ccc([N+](=O)[O-])cc1Cl ZINC000424162946 434641661 /nfs/dbraw/zinc/64/16/61/434641661.db2.gz CXAZOQRGNLGOAQ-UHFFFAOYSA-N 1 1 308.769 3.315 20 5 DGBDMO COCCCC[N@@H+](C)Cc1cc([N+](=O)[O-])ccc1OC(F)F ZINC000418138098 434599192 /nfs/dbraw/zinc/59/91/92/434599192.db2.gz SEQUMKXAEWUREG-UHFFFAOYSA-N 1 1 318.320 3.055 20 5 DGBDMO C[C@H](NC(=O)CC[N@H+]1CCCC[C@H]1C)c1ccc([N+](=O)[O-])cc1 ZINC000452575371 434649998 /nfs/dbraw/zinc/64/99/98/434649998.db2.gz QAEKEFYKUAUBNN-KGLIPLIRSA-N 1 1 319.405 3.037 20 5 DGBDMO O=[N+]([O-])c1ccc(N[C@H]2CC[N@@H+](CCCC3CCCC3)C2)nc1 ZINC000440485070 434706638 /nfs/dbraw/zinc/70/66/38/434706638.db2.gz HPPIFJZZUMEOPE-HNNXBMFYSA-N 1 1 318.421 3.446 20 5 DGBDMO C[C@@H](C[N@@H+](C)Cc1ccccc1[N+](=O)[O-])C(=O)OC(C)(C)C ZINC000459778915 434715351 /nfs/dbraw/zinc/71/53/51/434715351.db2.gz TYHBWEXIQNWQEE-LBPRGKRZSA-N 1 1 308.378 3.004 20 5 DGBDMO CCCC[N@@H+](CCC(=O)Nc1ccc([N+](=O)[O-])cc1)C1CC1 ZINC000411166770 434736183 /nfs/dbraw/zinc/73/61/83/434736183.db2.gz MRLDBUSDLIPJMV-UHFFFAOYSA-N 1 1 305.378 3.188 20 5 DGBDMO COc1ccc(OCC[N@H+]2CCC[C@H]2CC(C)C)c([N+](=O)[O-])c1 ZINC000441522533 434766772 /nfs/dbraw/zinc/76/67/72/434766772.db2.gz JWRAVNREXGAYHR-AWEZNQCLSA-N 1 1 322.405 3.493 20 5 DGBDMO CC[N@@H+](Cc1cc(OC)c(OC)cc1[N+](=O)[O-])CC(C)(C)C ZINC000361021860 434770795 /nfs/dbraw/zinc/77/07/95/434770795.db2.gz IEXKWPPSSLBLEZ-UHFFFAOYSA-N 1 1 310.394 3.480 20 5 DGBDMO CC[C@@H]1C[C@@H](C)C[N@H+]1CCC(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000411306878 434761372 /nfs/dbraw/zinc/76/13/72/434761372.db2.gz WUANUWZGAQNLKI-TZMCWYRMSA-N 1 1 305.378 3.044 20 5 DGBDMO Cc1ccc(C[N@@H+]2CC(C)(C)O[C@@H]3CCC[C@H]32)cc1[N+](=O)[O-] ZINC000442959947 434772351 /nfs/dbraw/zinc/77/23/51/434772351.db2.gz AOGFREPVUYUJMR-GDBMZVCRSA-N 1 1 304.390 3.435 20 5 DGBDMO Cc1ccc(C[N@H+]2CC(C)(C)O[C@@H]3CCC[C@H]32)cc1[N+](=O)[O-] ZINC000442959947 434772359 /nfs/dbraw/zinc/77/23/59/434772359.db2.gz AOGFREPVUYUJMR-GDBMZVCRSA-N 1 1 304.390 3.435 20 5 DGBDMO C[C@@H]1[C@@H](C)[C@H](C)C[N@H+]1Cc1nc(-c2cccc([N+](=O)[O-])c2)no1 ZINC000419390809 434783092 /nfs/dbraw/zinc/78/30/92/434783092.db2.gz JHYDWFCQQLVOAI-GRYCIOLGSA-N 1 1 316.361 3.121 20 5 DGBDMO CC1(C)CCCC[N@H+](CC(=O)Nc2ccccc2[N+](=O)[O-])C1 ZINC000446063062 434845734 /nfs/dbraw/zinc/84/57/34/434845734.db2.gz WEYLCDMXDKPOEL-UHFFFAOYSA-N 1 1 305.378 3.045 20 5 DGBDMO CC1(C)CCCC[N@@H+](CC(=O)Nc2ccccc2[N+](=O)[O-])C1 ZINC000446063062 434845739 /nfs/dbraw/zinc/84/57/39/434845739.db2.gz WEYLCDMXDKPOEL-UHFFFAOYSA-N 1 1 305.378 3.045 20 5 DGBDMO C[C@@H](C[NH+]1CCCCC1)N[C@@H]1CCc2c1cccc2[N+](=O)[O-] ZINC000573697000 434919842 /nfs/dbraw/zinc/91/98/42/434919842.db2.gz OPYGPMQFSLPVLL-XJKSGUPXSA-N 1 1 303.406 3.046 20 5 DGBDMO O=[N+]([O-])c1cc(F)ccc1N[C@@H]1CC[N@@H+](CC2CCCC2)C1 ZINC000462936548 434937236 /nfs/dbraw/zinc/93/72/36/434937236.db2.gz RMPVOEUPWFQLDU-CQSZACIVSA-N 1 1 307.369 3.410 20 5 DGBDMO C[N@@H+](CCCC(=O)OC(C)(C)C)CCc1ccc([N+](=O)[O-])cc1 ZINC000523439940 434947775 /nfs/dbraw/zinc/94/77/75/434947775.db2.gz UGDIFSFBJSDPKB-UHFFFAOYSA-N 1 1 322.405 3.191 20 5 DGBDMO Cc1cccc(OCC[N@H+](C)CCc2ccc([N+](=O)[O-])cc2)c1 ZINC000522268285 434921166 /nfs/dbraw/zinc/92/11/66/434921166.db2.gz VWEBWOYSXZXOIX-UHFFFAOYSA-N 1 1 314.385 3.457 20 5 DGBDMO O=[N+]([O-])c1cccc(Cl)c1C[N@H+]1CCCC[C@H]1C1(O)CC1 ZINC000574498524 434983118 /nfs/dbraw/zinc/98/31/18/434983118.db2.gz UPQPMCNRMVWGIF-AWEZNQCLSA-N 1 1 310.781 3.128 20 5 DGBDMO O=[N+]([O-])c1cccc(Cl)c1C[N@@H+]1CCCC[C@H]1C1(O)CC1 ZINC000574498524 434983121 /nfs/dbraw/zinc/98/31/21/434983121.db2.gz UPQPMCNRMVWGIF-AWEZNQCLSA-N 1 1 310.781 3.128 20 5 DGBDMO O=[N+]([O-])c1cccc(F)c1N1CCC[N@H+](C2CCCC2)CC1 ZINC000557587827 435059046 /nfs/dbraw/zinc/05/90/46/435059046.db2.gz JCTRCJJMYAYPDN-UHFFFAOYSA-N 1 1 307.369 3.189 20 5 DGBDMO O=[N+]([O-])c1cccc(OCC[N@H+]2CCC[C@@H]2c2ccccn2)c1 ZINC000530962799 435063897 /nfs/dbraw/zinc/06/38/97/435063897.db2.gz YAWMEQVCHSRDLL-QGZVFWFLSA-N 1 1 313.357 3.206 20 5 DGBDMO C[C@H]1CC[N@H+](CCN[C@H]2CC(C)(C)c3ccc([N+](=O)[O-])cc32)C1 ZINC000578301196 435073324 /nfs/dbraw/zinc/07/33/24/435073324.db2.gz LHUWOAHANUNIMT-GUYCJALGSA-N 1 1 317.433 3.249 20 5 DGBDMO C[C@H]1CC[N@@H+](CCN[C@H]2CC(C)(C)c3ccc([N+](=O)[O-])cc32)C1 ZINC000578301196 435073328 /nfs/dbraw/zinc/07/33/28/435073328.db2.gz LHUWOAHANUNIMT-GUYCJALGSA-N 1 1 317.433 3.249 20 5 DGBDMO CC(C)C[C@H]1CC[N@H+]([C@H](C)C(=O)Nc2cccc([N+](=O)[O-])c2)C1 ZINC000467173507 435111178 /nfs/dbraw/zinc/11/11/78/435111178.db2.gz CWJMNOLNQSRGSO-ZIAGYGMSSA-N 1 1 319.405 3.290 20 5 DGBDMO O=[N+]([O-])c1ccc([C@@H]2CCC[N@H+](Cc3ccc(CO)o3)C2)cc1 ZINC000578843921 435113555 /nfs/dbraw/zinc/11/35/55/435113555.db2.gz RPYQWFNZNXLYNK-CQSZACIVSA-N 1 1 316.357 3.060 20 5 DGBDMO Cc1ccc(C[N@@H+]2CCOC3(CCCCC3)C2)cc1[N+](=O)[O-] ZINC000579369183 435150885 /nfs/dbraw/zinc/15/08/85/435150885.db2.gz YJSGYKOONVDLMP-UHFFFAOYSA-N 1 1 304.390 3.438 20 5 DGBDMO Cc1ccc(C[N@H+]2CCOC3(CCCCC3)C2)cc1[N+](=O)[O-] ZINC000579369183 435150890 /nfs/dbraw/zinc/15/08/90/435150890.db2.gz YJSGYKOONVDLMP-UHFFFAOYSA-N 1 1 304.390 3.438 20 5 DGBDMO CCC[N@@H+](CC)C[C@@H](C)NC(=O)c1ccc(CC)c([N+](=O)[O-])c1 ZINC000579658965 435171919 /nfs/dbraw/zinc/17/19/19/435171919.db2.gz CHJWIZFDODYWRZ-CYBMUJFWSA-N 1 1 321.421 3.007 20 5 DGBDMO Cc1ccc([N+](=O)[O-])cc1NC(=O)C[N@H+]1C[C@H](C)CCC[C@@H]1C ZINC000532572241 435179574 /nfs/dbraw/zinc/17/95/74/435179574.db2.gz NQEDELXTXBOZFA-OCCSQVGLSA-N 1 1 319.405 3.352 20 5 DGBDMO CC(C)C[N@@H+](CC(=O)Nc1ccccc1[N+](=O)[O-])C1CCCC1 ZINC000533254971 435220508 /nfs/dbraw/zinc/22/05/08/435220508.db2.gz VQWCVDMLHUFDGZ-UHFFFAOYSA-N 1 1 319.405 3.434 20 5 DGBDMO CC[C@@H]1CCC[N@@H+](CC(=O)Nc2ccc([N+](=O)[O-])cc2C)CC1 ZINC000533435450 435235383 /nfs/dbraw/zinc/23/53/83/435235383.db2.gz BIPNGNNRWZXUAT-CQSZACIVSA-N 1 1 319.405 3.354 20 5 DGBDMO Cc1c(NC(=O)CC[N@@H+](CC2CC2)C(C)C)cccc1[N+](=O)[O-] ZINC000533495396 435240741 /nfs/dbraw/zinc/24/07/41/435240741.db2.gz WFQJOGQTKCKCOJ-UHFFFAOYSA-N 1 1 319.405 3.352 20 5 DGBDMO Cc1ccc([N+](=O)[O-])cc1[C@H](C)[N@@H+]1CCO[C@@](C)(C2CC2)C1 ZINC000595625861 435309517 /nfs/dbraw/zinc/30/95/17/435309517.db2.gz PKZPCAZRRQCPOY-SUMWQHHRSA-N 1 1 304.390 3.465 20 5 DGBDMO Cc1ccc([N+](=O)[O-])cc1[C@H](C)[N@H+]1CCO[C@@](C)(C2CC2)C1 ZINC000595625861 435309522 /nfs/dbraw/zinc/30/95/22/435309522.db2.gz PKZPCAZRRQCPOY-SUMWQHHRSA-N 1 1 304.390 3.465 20 5 DGBDMO COCCc1cc[nH+]c(N[C@H]2CCc3c2cccc3[N+](=O)[O-])c1 ZINC000567486925 435322724 /nfs/dbraw/zinc/32/27/24/435322724.db2.gz YIUWZMVICRELMS-HNNXBMFYSA-N 1 1 313.357 3.278 20 5 DGBDMO Cc1cc([N+](=O)[O-])ccc1C[NH2+][C@H](C)CN1CCCCCC1 ZINC000479605037 435341876 /nfs/dbraw/zinc/34/18/76/435341876.db2.gz VVISFUPDSWPUCP-OAHLLOKOSA-N 1 1 305.422 3.257 20 5 DGBDMO CC(C)[N@H+]1CCC[C@H](CN[C@H]2CCc3c2cccc3[N+](=O)[O-])C1 ZINC000568767981 435471229 /nfs/dbraw/zinc/47/12/29/435471229.db2.gz CHLCGRAGNWDABH-PBHICJAKSA-N 1 1 317.433 3.292 20 5 DGBDMO C[C@@H]1C[C@@H]([NH2+][C@H]2CCCCc3ccc([N+](=O)[O-])cc32)CC[N@@H+]1C ZINC000516024374 435510743 /nfs/dbraw/zinc/51/07/43/435510743.db2.gz SFQJFXJLDXFEMD-XUWXXGDYSA-N 1 1 317.433 3.435 20 5 DGBDMO C[C@@H]1C[C@@H](N[C@H]2CCCCc3ccc([N+](=O)[O-])cc32)CC[N@@H+]1C ZINC000516024374 435510751 /nfs/dbraw/zinc/51/07/51/435510751.db2.gz SFQJFXJLDXFEMD-XUWXXGDYSA-N 1 1 317.433 3.435 20 5 DGBDMO C[C@@H]1C[C@@H](N[C@H]2CCCCc3ccc([N+](=O)[O-])cc32)CC[N@H+]1C ZINC000516024374 435510755 /nfs/dbraw/zinc/51/07/55/435510755.db2.gz SFQJFXJLDXFEMD-XUWXXGDYSA-N 1 1 317.433 3.435 20 5 DGBDMO O=[N+]([O-])c1cccc2c1CC[C@@H]2N[C@H]1CC[N@H+](C2CCCC2)C1 ZINC000569258349 435519176 /nfs/dbraw/zinc/51/91/76/435519176.db2.gz CNKFLMQEKMFLJT-GUYCJALGSA-N 1 1 315.417 3.189 20 5 DGBDMO O=[N+]([O-])c1cccc2c1CC[C@@H]2[NH2+][C@H]1CCN(C2CCCC2)C1 ZINC000569258349 435519179 /nfs/dbraw/zinc/51/91/79/435519179.db2.gz CNKFLMQEKMFLJT-GUYCJALGSA-N 1 1 315.417 3.189 20 5 DGBDMO Cc1cc(N[C@H]2CC[N@@H+](C)[C@H](C)C2)c2cccc([N+](=O)[O-])c2n1 ZINC000540646497 435611868 /nfs/dbraw/zinc/61/18/68/435611868.db2.gz OMKCUWSDZXJYPT-OLZOCXBDSA-N 1 1 314.389 3.346 20 5 DGBDMO COc1cc([N+](=O)[O-])ccc1C[NH2+][C@@H](C)c1cnn(C(C)C)c1 ZINC000570576827 435632786 /nfs/dbraw/zinc/63/27/86/435632786.db2.gz ULNNKWWNLLMEKV-LBPRGKRZSA-N 1 1 318.377 3.232 20 5 DGBDMO COc1cc([N+](=O)[O-])ccc1C[NH2+][C@H](C)c1cnn(C(C)C)c1 ZINC000570576826 435633040 /nfs/dbraw/zinc/63/30/40/435633040.db2.gz ULNNKWWNLLMEKV-GFCCVEGCSA-N 1 1 318.377 3.232 20 5 DGBDMO Cc1cc(N2CC[N@H+](C3CCC3)C[C@@H](C)C2)c(F)cc1[N+](=O)[O-] ZINC000488716230 435640285 /nfs/dbraw/zinc/64/02/85/435640285.db2.gz QEITZKWHQZICOE-GFCCVEGCSA-N 1 1 321.396 3.353 20 5 DGBDMO Cc1ccc([N+](=O)[O-])c(N2CC[N@H+](C3CCC3)C[C@H](C)C2)c1 ZINC000488717990 435640929 /nfs/dbraw/zinc/64/09/29/435640929.db2.gz UAWVUTVIFLMSMS-AWEZNQCLSA-N 1 1 303.406 3.214 20 5 DGBDMO C[C@H]1CN(c2c(F)cccc2[N+](=O)[O-])CC[N@H+](C2CCC2)C1 ZINC000488720661 435641553 /nfs/dbraw/zinc/64/15/53/435641553.db2.gz ZEPNEXBCIROTQF-GFCCVEGCSA-N 1 1 307.369 3.045 20 5 DGBDMO Cc1cc(N2CC[N@H+]([C@@H]3C[C@@H]3C)C[C@H](C)C2)c(F)cc1[N+](=O)[O-] ZINC000488734148 435642334 /nfs/dbraw/zinc/64/23/34/435642334.db2.gz MLGOMBMFVHIERH-SLEUVZQESA-N 1 1 321.396 3.209 20 5 DGBDMO Cc1cc(N2CC[N@H+](C3CCC3)C[C@@H](C)C2)ccc1[N+](=O)[O-] ZINC000488747839 435642446 /nfs/dbraw/zinc/64/24/46/435642446.db2.gz OPTRBRCGUFZZET-CYBMUJFWSA-N 1 1 303.406 3.214 20 5 DGBDMO Cc1cc(N2CC[N@H+]([C@@H]3C[C@@H]3C)C[C@@H](C)C2)ccc1[N+](=O)[O-] ZINC000488749812 435643233 /nfs/dbraw/zinc/64/32/33/435643233.db2.gz JTNAJRZBBBNQQN-RVSPLBMKSA-N 1 1 303.406 3.070 20 5 DGBDMO Cc1cc(N2CC[N@H+]([C@@H]3C[C@H]3C)C[C@H](C)C2)ccc1[N+](=O)[O-] ZINC000488749814 435643825 /nfs/dbraw/zinc/64/38/25/435643825.db2.gz JTNAJRZBBBNQQN-SUYBPPKGSA-N 1 1 303.406 3.070 20 5 DGBDMO Cc1c(C[N@@H+](C)CCc2ccccc2O)cccc1[N+](=O)[O-] ZINC000541390320 435644127 /nfs/dbraw/zinc/64/41/27/435644127.db2.gz PMZPGDBMSZXWPR-UHFFFAOYSA-N 1 1 300.358 3.283 20 5 DGBDMO Cc1cccc(N2CC[N@H+]([C@@H]3C[C@@H]3C)C[C@@H](C)C2)c1[N+](=O)[O-] ZINC000549199745 435747960 /nfs/dbraw/zinc/74/79/60/435747960.db2.gz KUJFJYBVSYLMOV-DUVNUKRYSA-N 1 1 303.406 3.070 20 5 DGBDMO C/C(=C\c1cccc([N+](=O)[O-])c1)C[N@@H+]1CCC[C@H]([C@@H](C)O)C1 ZINC000530340413 313359644 /nfs/dbraw/zinc/35/96/44/313359644.db2.gz IMJPMZCKGPWZKD-NBBUPCKLSA-N 1 1 304.390 3.091 20 5 DGBDMO C[C@@H](O)C[N@H+](Cc1ccccc1)Cc1ccc([N+](=O)[O-])cc1F ZINC000530623702 313389932 /nfs/dbraw/zinc/38/99/32/313389932.db2.gz ZAJJNUJLQSQVSK-CYBMUJFWSA-N 1 1 318.348 3.117 20 5 DGBDMO C[C@@H](O)C[N@@H+](Cc1ccccc1)Cc1ccc([N+](=O)[O-])cc1F ZINC000530623702 313389934 /nfs/dbraw/zinc/38/99/34/313389934.db2.gz ZAJJNUJLQSQVSK-CYBMUJFWSA-N 1 1 318.348 3.117 20 5 DGBDMO C[C@H](C(=O)Nc1ccccc1[N+](=O)[O-])[N@H+]1CC[C@@H](C(C)(C)C)C1 ZINC000542319133 314070171 /nfs/dbraw/zinc/07/01/71/314070171.db2.gz CSPCXGAPCZDSJS-CHWSQXEVSA-N 1 1 319.405 3.290 20 5 DGBDMO CCOc1cccc(N(C)CC[C@H]2CCCC[N@H+]2C)c1[N+](=O)[O-] ZINC000545163316 314229453 /nfs/dbraw/zinc/22/94/53/314229453.db2.gz ISOYZXMZQWSVOX-CQSZACIVSA-N 1 1 321.421 3.304 20 5 DGBDMO Cn1cc(C(C)(C)[NH2+]Cc2ccc([N+](=O)[O-])cc2Cl)cn1 ZINC000546705625 314323138 /nfs/dbraw/zinc/32/31/38/314323138.db2.gz ZUIBFCNGSLAARX-UHFFFAOYSA-N 1 1 308.769 3.007 20 5 DGBDMO CCC[N@@H+](CC)C[C@H](C)Nc1ccc([N+](=O)[O-])c(C(C)=O)c1 ZINC000564574545 315184345 /nfs/dbraw/zinc/18/43/45/315184345.db2.gz JVYNKVMNAKHUSB-LBPRGKRZSA-N 1 1 307.394 3.330 20 5 DGBDMO C[N@@H+](CCc1cccc([N+](=O)[O-])c1)CC1Cc2ccccc2C1 ZINC000564618885 315186094 /nfs/dbraw/zinc/18/60/94/315186094.db2.gz MMSVBSGJUFSIQT-UHFFFAOYSA-N 1 1 310.397 3.484 20 5 DGBDMO Cc1cccc2nc(C[NH2+][C@@H]3CCc4c3cccc4[N+](=O)[O-])cn21 ZINC000571655862 315736476 /nfs/dbraw/zinc/73/64/76/315736476.db2.gz URDJVZSAIBRJPP-MRXNPFEDSA-N 1 1 322.368 3.328 20 5 DGBDMO Cc1ccn2cc(C[NH2+][C@H]3CCc4c3cccc4[N+](=O)[O-])nc2c1 ZINC000576716583 316160697 /nfs/dbraw/zinc/16/06/97/316160697.db2.gz UEAXMWSWQURHPZ-INIZCTEOSA-N 1 1 322.368 3.328 20 5 DGBDMO C/C(=C/c1cccc([N+](=O)[O-])c1)CNC[C@@H]1CC[N@@H+](C(C)C)C1 ZINC000576742578 316162138 /nfs/dbraw/zinc/16/21/38/316162138.db2.gz VKUCKXQHLJBEFH-KAKTVLCNSA-N 1 1 317.433 3.318 20 5 DGBDMO C/C(=C/c1cccc([N+](=O)[O-])c1)CNC[C@@H]1CC[N@H+](C(C)C)C1 ZINC000576742578 316162142 /nfs/dbraw/zinc/16/21/42/316162142.db2.gz VKUCKXQHLJBEFH-KAKTVLCNSA-N 1 1 317.433 3.318 20 5 DGBDMO Cc1ccc(CNC[C@@H]2CCCC[N@@H+]2C2CC2)cc1[N+](=O)[O-] ZINC000577599045 316251366 /nfs/dbraw/zinc/25/13/66/316251366.db2.gz NMXOCLNHENGQHB-INIZCTEOSA-N 1 1 303.406 3.010 20 5 DGBDMO Cc1ccc(CNC[C@@H]2CCCC[N@H+]2C2CC2)cc1[N+](=O)[O-] ZINC000577599045 316251370 /nfs/dbraw/zinc/25/13/70/316251370.db2.gz NMXOCLNHENGQHB-INIZCTEOSA-N 1 1 303.406 3.010 20 5 DGBDMO CCOC(=O)C[C@@H](C)[N@H+](C)Cc1ccc([N+](=O)[O-])cc1Cl ZINC000182669547 323307935 /nfs/dbraw/zinc/30/79/35/323307935.db2.gz NRRGCGIATUNIIJ-SNVBAGLBSA-N 1 1 314.769 3.022 20 5 DGBDMO CCOC(=O)C[C@@H](C)[N@@H+](C)Cc1ccc([N+](=O)[O-])cc1Cl ZINC000182669547 323307938 /nfs/dbraw/zinc/30/79/38/323307938.db2.gz NRRGCGIATUNIIJ-SNVBAGLBSA-N 1 1 314.769 3.022 20 5 DGBDMO CCOC(=O)C[C@H](C)[N@H+](C)Cc1ccc([N+](=O)[O-])cc1Cl ZINC000182669564 323308278 /nfs/dbraw/zinc/30/82/78/323308278.db2.gz NRRGCGIATUNIIJ-JTQLQIEISA-N 1 1 314.769 3.022 20 5 DGBDMO CCOC(=O)C[C@H](C)[N@@H+](C)Cc1ccc([N+](=O)[O-])cc1Cl ZINC000182669564 323308282 /nfs/dbraw/zinc/30/82/82/323308282.db2.gz NRRGCGIATUNIIJ-JTQLQIEISA-N 1 1 314.769 3.022 20 5 DGBDMO COc1cccc2c1CC[N@@H+](CCc1ccc([N+](=O)[O-])cc1)C2 ZINC000182687935 323308803 /nfs/dbraw/zinc/30/88/03/323308803.db2.gz BYHFYGDCOQFACF-UHFFFAOYSA-N 1 1 312.369 3.204 20 5 DGBDMO O=[N+]([O-])c1ccc(N[C@H]2CC[N@H+]([C@@H]3C=CCCCCC3)C2)nc1 ZINC000581501640 324124439 /nfs/dbraw/zinc/12/44/39/324124439.db2.gz FPEFJKCZXOLRQP-LSDHHAIUSA-N 1 1 316.405 3.365 20 5 DGBDMO O=[N+]([O-])c1ccccc1/C=C\C[N@H+]1CC[C@H](c2cccnc2)C1 ZINC000583631535 324378021 /nfs/dbraw/zinc/37/80/21/324378021.db2.gz DIMLORWAIPOPBB-IMXKFXGHSA-N 1 1 309.369 3.493 20 5 DGBDMO C[C@@H](O)C[C@H]1CCCCC[N@H+]1Cc1ccc([N+](=O)[O-])cc1F ZINC000319343724 533759908 /nfs/dbraw/zinc/75/99/08/533759908.db2.gz PDNBIAUJMDYYFW-TZMCWYRMSA-N 1 1 310.369 3.249 20 5 DGBDMO Cc1c(CN(C)CC[C@@H]2CCCC[N@H+]2C)cccc1[N+](=O)[O-] ZINC000173959919 533842897 /nfs/dbraw/zinc/84/28/97/533842897.db2.gz WYHFKPDKJNVQKD-INIZCTEOSA-N 1 1 305.422 3.209 20 5 DGBDMO C[C@@H]1[C@@H](C)CCC[N@H+]1CCC(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000411306483 534230578 /nfs/dbraw/zinc/23/05/78/534230578.db2.gz GEAWZQCGFUJODQ-QWHCGFSZSA-N 1 1 305.378 3.044 20 5 DGBDMO Cc1ccn(C2CC[NH+](Cc3ccc([N+](=O)[O-])cc3F)CC2)n1 ZINC000434513003 534320208 /nfs/dbraw/zinc/32/02/08/534320208.db2.gz XXADMFUBEDGQDX-UHFFFAOYSA-N 1 1 318.352 3.076 20 5 DGBDMO Cc1ccc([N+](=O)[O-])c(NC[C@H]2CCC[N@H+](CC(C)C)C2)n1 ZINC000178777372 534328085 /nfs/dbraw/zinc/32/80/85/534328085.db2.gz VVPGIBBGLJLXMQ-CQSZACIVSA-N 1 1 306.410 3.078 20 5 DGBDMO C[C@@H]1CCCC[N@H+]1CCCNc1ncc(Cl)cc1[N+](=O)[O-] ZINC000148454436 524105883 /nfs/dbraw/zinc/10/58/83/524105883.db2.gz HHZKJWXZFBHAAI-LLVKDONJSA-N 1 1 312.801 3.320 20 5 DGBDMO Cc1c(C[N@@H+]2CC[C@@H](C)[C@H](n3ccnc3)C2)cccc1[N+](=O)[O-] ZINC000156435810 525708688 /nfs/dbraw/zinc/70/86/88/525708688.db2.gz HIXWXGBXWYIPAP-CXAGYDPISA-N 1 1 314.389 3.183 20 5 DGBDMO CC(C)[C@H]1C[N@H+](Cc2nc3cc([N+](=O)[O-])ccc3o2)CCS1 ZINC000177164152 527856324 /nfs/dbraw/zinc/85/63/24/527856324.db2.gz UZPANDWKVJPDAQ-CQSZACIVSA-N 1 1 321.402 3.309 20 5 DGBDMO CC(C)[C@H]1C[N@@H+](Cc2nc3cc([N+](=O)[O-])ccc3o2)CCS1 ZINC000177164152 527856328 /nfs/dbraw/zinc/85/63/28/527856328.db2.gz UZPANDWKVJPDAQ-CQSZACIVSA-N 1 1 321.402 3.309 20 5 DGBDMO CC(C)[C@@H](c1ccc(F)cc1)[N@H+](C)Cc1c([N+](=O)[O-])ncn1C ZINC000434617553 528642184 /nfs/dbraw/zinc/64/21/84/528642184.db2.gz LUGUASCTRMFYBA-HNNXBMFYSA-N 1 1 320.368 3.297 20 5 DGBDMO CC(C)[C@@H](c1ccc(F)cc1)[N@@H+](C)Cc1c([N+](=O)[O-])ncn1C ZINC000434617553 528642188 /nfs/dbraw/zinc/64/21/88/528642188.db2.gz LUGUASCTRMFYBA-HNNXBMFYSA-N 1 1 320.368 3.297 20 5 DGBDMO CC[N@H+]1CCCC[C@@H]1CNc1ccc([N+](=O)[O-])c2cccnc12 ZINC000301559371 529003799 /nfs/dbraw/zinc/00/37/99/529003799.db2.gz UDOKEZHPGMIWLA-CYBMUJFWSA-N 1 1 314.389 3.429 20 5 DGBDMO CC1(C)C[N@@H+](CCCOc2ccc([N+](=O)[O-])cc2)CCS1 ZINC000434901619 529117411 /nfs/dbraw/zinc/11/74/11/529117411.db2.gz XOIBQWBLZJTHNG-UHFFFAOYSA-N 1 1 310.419 3.191 20 5 DGBDMO CC[C@H]1CCC[N@H+]1Cn1cc(-c2ccc([N+](=O)[O-])cc2)cn1 ZINC000728900280 575192752 /nfs/dbraw/zinc/19/27/52/575192752.db2.gz ITZUVYCBGKPTKU-HNNXBMFYSA-N 1 1 300.362 3.290 20 5 DGBDMO CC[N@H+]1CC[C@@H](N(C)c2ccc(C(C)=O)cc2[N+](=O)[O-])C[C@H]1C ZINC000740870592 574944167 /nfs/dbraw/zinc/94/41/67/574944167.db2.gz FZOHFTGYDILELK-IUODEOHRSA-N 1 1 319.405 3.106 20 5 DGBDMO CC[N@@H+](Cn1cc([N+](=O)[O-])c(-c2ccncc2)n1)[C@@H](C)C(C)C ZINC000742146615 574982195 /nfs/dbraw/zinc/98/21/95/574982195.db2.gz IQKGFYCYTDOORJ-ZDUSSCGKSA-N 1 1 317.393 3.177 20 5 DGBDMO Cc1cccc2c1CC[N@@H+](CCOc1ccccc1[N+](=O)[O-])C2 ZINC000729480260 575252687 /nfs/dbraw/zinc/25/26/87/575252687.db2.gz RDGDBRZQFGKLBM-UHFFFAOYSA-N 1 1 312.369 3.340 20 5 DGBDMO CC[N@@H+]1CCCC[C@@H]1C(=O)O[C@@H](C)c1cccc([N+](=O)[O-])c1 ZINC000745083457 575374975 /nfs/dbraw/zinc/37/49/75/575374975.db2.gz MJZALOONDGMFQQ-SWLSCSKDSA-N 1 1 306.362 3.073 20 5 DGBDMO CC[N@H+]1CCCC[C@@H]1C(=O)O[C@@H](C)c1cccc([N+](=O)[O-])c1 ZINC000745083457 575374977 /nfs/dbraw/zinc/37/49/77/575374977.db2.gz MJZALOONDGMFQQ-SWLSCSKDSA-N 1 1 306.362 3.073 20 5 DGBDMO C[C@@H](C(=O)OCc1ccc([N+](=O)[O-])cc1F)[NH+]1CCCCCC1 ZINC000746986543 575488314 /nfs/dbraw/zinc/48/83/14/575488314.db2.gz WZUDHNVAYIHJDM-LBPRGKRZSA-N 1 1 324.352 3.042 20 5 DGBDMO O=[N+]([O-])c1ccc(F)cc1C[N@H+]1CCC[C@@]2(CCCOC2)C1 ZINC000747531999 575523762 /nfs/dbraw/zinc/52/37/62/575523762.db2.gz GIIUIKZFZUCDNA-MRXNPFEDSA-N 1 1 308.353 3.127 20 5 DGBDMO CC(C)C[C@@H]1CCC[N@H+]1Cn1ncc2cc([N+](=O)[O-])ccc21 ZINC000748791245 575606741 /nfs/dbraw/zinc/60/67/41/575606741.db2.gz GEBPIXNJQLPZHE-AWEZNQCLSA-N 1 1 302.378 3.413 20 5 DGBDMO C[N@H+]1CCN(Cc2cc(F)ccc2[N+](=O)[O-])C2(CCCCC2)C1 ZINC000749812705 575680531 /nfs/dbraw/zinc/68/05/31/575680531.db2.gz WJOXTDUOSDAOPA-UHFFFAOYSA-N 1 1 321.396 3.184 20 5 DGBDMO CCC(CC)C[N@@H+](CC)Cn1nc(C)c2cc([N+](=O)[O-])cnc21 ZINC000749938833 575689991 /nfs/dbraw/zinc/68/99/91/575689991.db2.gz MFNRMBADQGCRQX-UHFFFAOYSA-N 1 1 319.409 3.364 20 5 DGBDMO Cc1nn(C[N@H+]2C[C@H](C)CCC[C@H]2C)c2ncc([N+](=O)[O-])cc12 ZINC000749955907 575692407 /nfs/dbraw/zinc/69/24/07/575692407.db2.gz UYVNXNKZNIJVAC-VXGBXAGGSA-N 1 1 317.393 3.116 20 5 DGBDMO O=[N+]([O-])c1ccc(Cl)cc1C[N@H+]1CC[C@@H]([C@H]2CCOC2)C1 ZINC000750252416 575714861 /nfs/dbraw/zinc/71/48/61/575714861.db2.gz KGRJHUDSAZXKKK-NEPJUHHUSA-N 1 1 310.781 3.107 20 5 DGBDMO C[C@@]1(CCc2ccccc2)CC[N@H+](Cn2nccc2[N+](=O)[O-])C1 ZINC000751605206 575792981 /nfs/dbraw/zinc/79/29/81/575792981.db2.gz RHAAGTWENLGBBU-QGZVFWFLSA-N 1 1 314.389 3.094 20 5 DGBDMO C[C@@]1(CCc2ccccc2)CC[N@@H+](Cn2nccc2[N+](=O)[O-])C1 ZINC000751605206 575792982 /nfs/dbraw/zinc/79/29/82/575792982.db2.gz RHAAGTWENLGBBU-QGZVFWFLSA-N 1 1 314.389 3.094 20 5 DGBDMO C[C@@H]1CC[N@@H+](Cn2cc(-c3ccc([N+](=O)[O-])cc3)cn2)[C@@H]1C ZINC000751939476 575813463 /nfs/dbraw/zinc/81/34/63/575813463.db2.gz FTCVXKQYACLUHG-CHWSQXEVSA-N 1 1 300.362 3.146 20 5 DGBDMO O=[N+]([O-])c1ccc([C@@H](O)C[N@H+]2CC3CC2(c2ccccc2)C3)cc1 ZINC000852762109 620646672 /nfs/dbraw/zinc/64/66/72/620646672.db2.gz YRZACHAVKRFWBS-WHDUELSGSA-N 1 1 324.380 3.249 20 5 DGBDMO COc1c(O)ccc(C[N@H+](C)Cc2ccc(C)s2)c1[N+](=O)[O-] ZINC000891923857 617926720 /nfs/dbraw/zinc/92/67/20/617926720.db2.gz QFQPFCCFTNGUHV-UHFFFAOYSA-N 1 1 322.386 3.311 20 5 DGBDMO COc1c(O)ccc(C[N@@H+](C)Cc2ccc(C)s2)c1[N+](=O)[O-] ZINC000891923857 617926722 /nfs/dbraw/zinc/92/67/22/617926722.db2.gz QFQPFCCFTNGUHV-UHFFFAOYSA-N 1 1 322.386 3.311 20 5 DGBDMO Cc1[nH+]ccn1-c1ccc(CNc2ccsc2[N+](=O)[O-])cn1 ZINC000920340404 620795539 /nfs/dbraw/zinc/79/55/39/620795539.db2.gz VXVOYPRDDAUTKY-UHFFFAOYSA-N 1 1 315.358 3.158 20 5 DGBDMO COc1ccnc([C@@H](C)[NH2+][C@H](C)c2ccccc2[N+](=O)[O-])c1 ZINC000925693578 618532438 /nfs/dbraw/zinc/53/24/38/618532438.db2.gz PONSEIKCWDHWQL-VXGBXAGGSA-N 1 1 301.346 3.410 20 5 DGBDMO Cc1noc2ncc(C[NH2+][C@H](C)c3ccccc3[N+](=O)[O-])cc12 ZINC000894371382 618773645 /nfs/dbraw/zinc/77/36/45/618773645.db2.gz ZYIBMUFAZYOEFN-SNVBAGLBSA-N 1 1 312.329 3.290 20 5 DGBDMO Cc1noc2ncc(C[NH2+][C@@H](C)c3ccccc3[N+](=O)[O-])cc12 ZINC000894371381 618773674 /nfs/dbraw/zinc/77/36/74/618773674.db2.gz ZYIBMUFAZYOEFN-JTQLQIEISA-N 1 1 312.329 3.290 20 5 DGBDMO C/C(=C\c1cccc([N+](=O)[O-])c1)CN1CC[N@H+](C)C(C)(C)C1 ZINC000895564570 618799649 /nfs/dbraw/zinc/79/96/49/618799649.db2.gz IZFURJPOHNCZOX-GXDHUFHOSA-N 1 1 303.406 3.024 20 5 DGBDMO C/C(=C\c1cccc([N+](=O)[O-])c1)C[N@H+]1CCN(C)C(C)(C)C1 ZINC000895564570 618799650 /nfs/dbraw/zinc/79/96/50/618799650.db2.gz IZFURJPOHNCZOX-GXDHUFHOSA-N 1 1 303.406 3.024 20 5 DGBDMO C/C(=C\c1cccc([N+](=O)[O-])c1)C[N@@H+]1CCN(C)C(C)(C)C1 ZINC000895564570 618799651 /nfs/dbraw/zinc/79/96/51/618799651.db2.gz IZFURJPOHNCZOX-GXDHUFHOSA-N 1 1 303.406 3.024 20 5 DGBDMO O=[N+]([O-])c1cc(C(F)(F)F)ccc1C[N@H+]1CC[C@@H](CF)C1 ZINC000895569038 618801793 /nfs/dbraw/zinc/80/17/93/618801793.db2.gz RDCVUMXRJXCJNW-VIFPVBQESA-N 1 1 306.259 3.405 20 5 DGBDMO O=[N+]([O-])c1ccccc1/C=C\C[N@H+]1CC[C@H]([C@@H]2CCCO2)C1 ZINC000895846938 618841430 /nfs/dbraw/zinc/84/14/30/618841430.db2.gz SCSOZBHIXAKMMZ-BAUXQTRNSA-N 1 1 302.374 3.109 20 5 DGBDMO Cc1cc(CO)cc(NC[C@@H](C)c2ccccc2[N+](=O)[O-])[nH+]1 ZINC000896793570 618959943 /nfs/dbraw/zinc/95/99/43/618959943.db2.gz MHLJNYNWHYIWTO-LLVKDONJSA-N 1 1 301.346 3.006 20 5 DGBDMO O=[N+]([O-])c1cc(Cl)ccc1C[NH2+]Cc1cccc2c1OCC2 ZINC000897204393 619028569 /nfs/dbraw/zinc/02/85/69/619028569.db2.gz OSNFEEPDGBNWJA-UHFFFAOYSA-N 1 1 318.760 3.473 20 5 DGBDMO C[C@]12CSC[C@H]1C[N@@H+](C/C=C/c1ccccc1[N+](=O)[O-])C2 ZINC000898422980 619274830 /nfs/dbraw/zinc/27/48/30/619274830.db2.gz PSHBFJLVICRGLU-WQDDEOEWSA-N 1 1 304.415 3.293 20 5 DGBDMO CC[C@H]([NH2+][C@@H](c1nncn1C)C(C)C)c1cccc([N+](=O)[O-])c1 ZINC000903061595 619708145 /nfs/dbraw/zinc/70/81/45/619708145.db2.gz ORJRCLLZDAAZMW-LSDHHAIUSA-N 1 1 317.393 3.161 20 5 DGBDMO Cc1c([C@H](C)[NH2+][C@@H](c2nncn2C)C(C)C)cccc1[N+](=O)[O-] ZINC000903060539 619708192 /nfs/dbraw/zinc/70/81/92/619708192.db2.gz BBVSYUXFXHZIHA-SWLSCSKDSA-N 1 1 317.393 3.080 20 5 DGBDMO Cc1ccc([N+](=O)[O-])c(C)c1NC(=O)[C@H]1CC[N@@H+]1C(C)(C)C ZINC000908268216 620197441 /nfs/dbraw/zinc/19/74/41/620197441.db2.gz MEDICRPVDIAMGI-CYBMUJFWSA-N 1 1 305.378 3.023 20 5 DGBDMO Cc1ccc([N+](=O)[O-])c(C)c1NC(=O)[C@H]1CC[N@H+]1C(C)(C)C ZINC000908268216 620197444 /nfs/dbraw/zinc/19/74/44/620197444.db2.gz MEDICRPVDIAMGI-CYBMUJFWSA-N 1 1 305.378 3.023 20 5 DGBDMO C[N@@H+]1CCN(c2ccc([N+](=O)[O-])cc2F)[C@H](c2ccccc2)C1 ZINC000915212250 620572684 /nfs/dbraw/zinc/57/26/84/620572684.db2.gz KNFRECDFLMZQJY-KRWDZBQOSA-N 1 1 315.348 3.227 20 5 DGBDMO C[N@H+]1CCN(c2ccc([N+](=O)[O-])cc2F)[C@H](c2ccccc2)C1 ZINC000915212250 620572685 /nfs/dbraw/zinc/57/26/85/620572685.db2.gz KNFRECDFLMZQJY-KRWDZBQOSA-N 1 1 315.348 3.227 20 5 DGBDMO CC(C)(C)c1coc(C[NH2+]CCc2ccccc2[N+](=O)[O-])n1 ZINC000921792037 620950003 /nfs/dbraw/zinc/95/00/03/620950003.db2.gz RFJVQSMWJQKBKY-UHFFFAOYSA-N 1 1 303.362 3.213 20 5 DGBDMO Cc1ccc([C@@H](C)[NH2+]Cc2cn(C)nc2Cl)cc1[N+](=O)[O-] ZINC000856772426 621018843 /nfs/dbraw/zinc/01/88/43/621018843.db2.gz ZSJSVXXJYIMZFE-SNVBAGLBSA-N 1 1 308.769 3.141 20 5 DGBDMO Cn1nc(C[NH2+]C/C=C/c2ccccc2[N+](=O)[O-])cc1C1CC1 ZINC000922954607 621136810 /nfs/dbraw/zinc/13/68/10/621136810.db2.gz KYZARNGVAWCJKG-GQCTYLIASA-N 1 1 312.373 3.009 20 5 DGBDMO COC(=O)CCCC[N@@H+](C)Cc1cc([N+](=O)[O-])ccc1Cl ZINC000859168246 621256531 /nfs/dbraw/zinc/25/65/31/621256531.db2.gz LIOUZPMDKGPMMQ-UHFFFAOYSA-N 1 1 314.769 3.023 20 5 DGBDMO COCCC1CC[NH+](Cc2cc(Cl)ccc2[N+](=O)[O-])CC1 ZINC000859399142 621274516 /nfs/dbraw/zinc/27/45/16/621274516.db2.gz QUDADMXTKKSLKR-UHFFFAOYSA-N 1 1 312.797 3.497 20 5 DGBDMO OC[C@@]1(O)CCC[N@@H+](Cc2c3ccccc3cc3ccccc32)C1 ZINC000839151825 621334007 /nfs/dbraw/zinc/33/40/07/621334007.db2.gz CUWOCKMSRJCXNJ-OAQYLSRUSA-N 1 1 321.420 3.312 20 5 DGBDMO C[N@H+](Cc1cc(Cl)cc(Cl)c1[N+](=O)[O-])C[C@H]1C[C@@H](O)C1 ZINC000859970899 621350912 /nfs/dbraw/zinc/35/09/12/621350912.db2.gz MPZWCMJOGBIGEF-DKTWLAJQSA-N 1 1 319.188 3.104 20 5 DGBDMO CC(C)[C@H](C)[N@@H+](C)CC(=O)Nc1cc(Cl)ccc1[N+](=O)[O-] ZINC000839461075 621372141 /nfs/dbraw/zinc/37/21/41/621372141.db2.gz ZHHXLHWBMSMAIN-JTQLQIEISA-N 1 1 313.785 3.163 20 5 DGBDMO C[C@H]1CCC[N@@H+](Cn2cc(-c3ccc([N+](=O)[O-])cc3)cn2)C1 ZINC000103457464 621377673 /nfs/dbraw/zinc/37/76/73/621377673.db2.gz JAJNUHHOFMAOCA-ZDUSSCGKSA-N 1 1 300.362 3.148 20 5 DGBDMO C/C=C/C[C@@H]1CCC[N@@H+](C[C@@H](O)c2ccc([N+](=O)[O-])cc2)C1 ZINC000860183107 621378445 /nfs/dbraw/zinc/37/84/45/621378445.db2.gz GHIRGEAQJGUFEA-DTPTURRISA-N 1 1 304.390 3.306 20 5 DGBDMO C[C@H]1CSCC[N@H+](Cc2cc(Cl)ccc2[N+](=O)[O-])C1 ZINC000753832834 621467836 /nfs/dbraw/zinc/46/78/36/621467836.db2.gz FBHBUAXMHLSZSL-SNVBAGLBSA-N 1 1 300.811 3.433 20 5 DGBDMO C[C@H]1CSCC[N@@H+](Cc2cc(Cl)ccc2[N+](=O)[O-])C1 ZINC000753832834 621467838 /nfs/dbraw/zinc/46/78/38/621467838.db2.gz FBHBUAXMHLSZSL-SNVBAGLBSA-N 1 1 300.811 3.433 20 5 DGBDMO CC[N@H+]1CCN(c2ccc([N+](=O)[O-])cc2C(F)(F)F)C[C@@H]1C ZINC000754079755 621485796 /nfs/dbraw/zinc/48/57/96/621485796.db2.gz LCMNZHPMYWPVNM-JTQLQIEISA-N 1 1 317.311 3.144 20 5 DGBDMO CC(C)[N@@H+](CCC(=O)Nc1cc([N+](=O)[O-])ccc1F)C1CCC1 ZINC000129092204 625494943 /nfs/dbraw/zinc/49/49/43/625494943.db2.gz BDZDNPLTKXBVMA-UHFFFAOYSA-N 1 1 323.368 3.325 20 5 DGBDMO NC(CCC(F)(F)F)=[NH+]OCc1c(F)cccc1[N+](=O)[O-] ZINC000863489747 621678056 /nfs/dbraw/zinc/67/80/56/621678056.db2.gz QPVNTSUTTSLVBA-UHFFFAOYSA-N 1 1 309.219 3.075 20 5 DGBDMO O=[N+]([O-])c1cccc2c1CC[N@H+](C[C@@H]1CC1(Cl)Cl)C2 ZINC000757167109 621691509 /nfs/dbraw/zinc/69/15/09/621691509.db2.gz ACFUJNWWCDJWSS-JTQLQIEISA-N 1 1 301.173 3.147 20 5 DGBDMO O=[N+]([O-])c1cccc2c1CC[N@@H+](C[C@@H]1CC1(Cl)Cl)C2 ZINC000757167109 621691511 /nfs/dbraw/zinc/69/15/11/621691511.db2.gz ACFUJNWWCDJWSS-JTQLQIEISA-N 1 1 301.173 3.147 20 5 DGBDMO CC[N@@H+](CCC1CC1)Cn1nc(C)c2cc([N+](=O)[O-])ccc21 ZINC000760537228 621949218 /nfs/dbraw/zinc/94/92/18/621949218.db2.gz DOJLQCCOMQRHPF-UHFFFAOYSA-N 1 1 302.378 3.332 20 5 DGBDMO O=[N+]([O-])c1ccc(OCCC[N@H+]2CC[C@@H](C(F)(F)F)C2)cc1 ZINC000761049319 621981856 /nfs/dbraw/zinc/98/18/56/621981856.db2.gz HAWYNIWRBVVNGK-LLVKDONJSA-N 1 1 318.295 3.248 20 5 DGBDMO CC(C)[C@H]1C[N@@H+](C)CCN1Cc1cc([N+](=O)[O-])ccc1Cl ZINC000761217567 621995157 /nfs/dbraw/zinc/99/51/57/621995157.db2.gz WGBHVPHXCIWQST-OAHLLOKOSA-N 1 1 311.813 3.020 20 5 DGBDMO Cc1nn(C[N@@H+]2CCCCC[C@H]2C)c2cc([N+](=O)[O-])ccc12 ZINC000761289819 621999606 /nfs/dbraw/zinc/99/96/06/621999606.db2.gz BUFSSBDFIUVRBS-GFCCVEGCSA-N 1 1 302.378 3.475 20 5 DGBDMO CC(C)[N@H+]1CCCN(Cc2ccc([N+](=O)[O-])c(Cl)c2)CC1 ZINC000761511251 622013717 /nfs/dbraw/zinc/01/37/17/622013717.db2.gz OGPZQKPEKPAXDF-UHFFFAOYSA-N 1 1 311.813 3.164 20 5 DGBDMO CO[C@@H](C)C[N@@H+](Cc1ccc([N+](=O)[O-])c(Cl)c1)C(C)C ZINC000761512371 622013890 /nfs/dbraw/zinc/01/38/90/622013890.db2.gz RNOMZLQIGAKVQT-NSHDSACASA-N 1 1 300.786 3.494 20 5 DGBDMO O=[N+]([O-])c1ccc2nc(N[C@@H]3CCC[N@H+](CCF)C3)sc2c1 ZINC000865927851 622021988 /nfs/dbraw/zinc/02/19/88/622021988.db2.gz JEMPGDBGEVDIPB-SNVBAGLBSA-N 1 1 324.381 3.050 20 5 DGBDMO O=[N+]([O-])c1ccc2nc(N[C@@H]3CCC[N@@H+](CCF)C3)sc2c1 ZINC000865927851 622021990 /nfs/dbraw/zinc/02/19/90/622021990.db2.gz JEMPGDBGEVDIPB-SNVBAGLBSA-N 1 1 324.381 3.050 20 5 DGBDMO C[N@H+]1CCN(c2nccc3ccc([N+](=O)[O-])cc32)CCC1(C)C ZINC000866112426 622047594 /nfs/dbraw/zinc/04/75/94/622047594.db2.gz AAUWOXAWWLMWRH-UHFFFAOYSA-N 1 1 314.389 3.064 20 5 DGBDMO C[C@H]1CC2(CCC2)C[N@H+]1Cn1ncc2cc([N+](=O)[O-])ccc21 ZINC000762139446 622056432 /nfs/dbraw/zinc/05/64/32/622056432.db2.gz ADNAZDZVCDNCRZ-LBPRGKRZSA-N 1 1 300.362 3.167 20 5 DGBDMO O=[N+]([O-])c1ccc2[nH+]ccc(N3CC[C@@H]4CSC[C@@H]4C3)c2c1 ZINC000866200913 622064574 /nfs/dbraw/zinc/06/45/74/622064574.db2.gz MNMQATFMVZKSER-NEPJUHHUSA-N 1 1 315.398 3.332 20 5 DGBDMO CCCN1CCC([NH2+][C@@H](C)Cc2ccc(F)cc2[N+](=O)[O-])CC1 ZINC000866218809 622068290 /nfs/dbraw/zinc/06/82/90/622068290.db2.gz YLZBPAJYVNKEMW-ZDUSSCGKSA-N 1 1 323.412 3.129 20 5 DGBDMO COC(=O)c1coc([C@H](C)[NH2+]Cc2ccc(C)c([N+](=O)[O-])c2)c1 ZINC000866539934 622135208 /nfs/dbraw/zinc/13/52/08/622135208.db2.gz HZELBMPOUNMTFR-NSHDSACASA-N 1 1 318.329 3.134 20 5 DGBDMO C[C@H](c1ccccc1[N+](=O)[O-])N1CC[C@@](C[NH3+])(C(C)(C)C)C1 ZINC000866705555 622158821 /nfs/dbraw/zinc/15/88/21/622158821.db2.gz CMBGDASQZFUYAM-DYVFJYSZSA-N 1 1 305.422 3.353 20 5 DGBDMO C[C@H]1C[C@@H](N(C)c2ccc3ncccc3c2[N+](=O)[O-])CC[N@H+]1C ZINC000764157283 622182353 /nfs/dbraw/zinc/18/23/53/622182353.db2.gz LZXANJUBMLWYKH-STQMWFEESA-N 1 1 314.389 3.062 20 5 DGBDMO Cc1nn(C[NH+]2C[C@H](C)S[C@@H](C)C2)c2ccc([N+](=O)[O-])cc12 ZINC000765040201 622241396 /nfs/dbraw/zinc/24/13/96/622241396.db2.gz HAXPKTXLBAVIQM-QWRGUYRKSA-N 1 1 320.418 3.036 20 5 DGBDMO Cc1nn(C[N@@H+]2C[C@@H]3CCCC[C@@H]3C2)c2ccc([N+](=O)[O-])cc12 ZINC000765062044 622242966 /nfs/dbraw/zinc/24/29/66/622242966.db2.gz ZGZXOWIHGZRKCK-OKILXGFUSA-N 1 1 314.389 3.332 20 5 DGBDMO Cc1ccc([N+](=O)[O-])cc1[C@@H](C)NC[C@@H](C)[NH+]1CCCCC1 ZINC000765257475 622254566 /nfs/dbraw/zinc/25/45/66/622254566.db2.gz YKDKLRAQQKSICG-HUUCEWRRSA-N 1 1 305.422 3.428 20 5 DGBDMO O=[N+]([O-])c1ccc(Cl)cc1CNC[C@@H]1CCCC[N@@H+]1C1CC1 ZINC000766223915 622313215 /nfs/dbraw/zinc/31/32/15/622313215.db2.gz JXALIGYBQRPHKM-HNNXBMFYSA-N 1 1 323.824 3.355 20 5 DGBDMO O=[N+]([O-])c1ccc(Cl)cc1CNC[C@@H]1CCCC[N@H+]1C1CC1 ZINC000766223915 622313218 /nfs/dbraw/zinc/31/32/18/622313218.db2.gz JXALIGYBQRPHKM-HNNXBMFYSA-N 1 1 323.824 3.355 20 5 DGBDMO CCc1ccc(C[NH+]2CCN(c3ccc([N+](=O)[O-])cc3)CC2)o1 ZINC000768151844 622442171 /nfs/dbraw/zinc/44/21/71/622442171.db2.gz PDKCKTGIPXPQCG-UHFFFAOYSA-N 1 1 315.373 3.072 20 5 DGBDMO O=[N+]([O-])c1cc(C[N@H+]2CCC[C@@H]3COCC[C@H]32)ccc1Cl ZINC000768548394 622464283 /nfs/dbraw/zinc/46/42/83/622464283.db2.gz BFYAFQCMDGJSBI-TZMCWYRMSA-N 1 1 310.781 3.249 20 5 DGBDMO O=[N+]([O-])c1cccc(-c2cnn(C[N@H+]3CCCC4(CC4)C3)c2)c1 ZINC000769799457 622561885 /nfs/dbraw/zinc/56/18/85/622561885.db2.gz XAYFMEIWUIIRBC-UHFFFAOYSA-N 1 1 312.373 3.292 20 5 DGBDMO Cc1ccc(F)c(C[N@@H+](C)C[C@H](O)c2ccc([N+](=O)[O-])cc2)c1 ZINC000769911163 622575188 /nfs/dbraw/zinc/57/51/88/622575188.db2.gz XCQWHISCYAXWCW-KRWDZBQOSA-N 1 1 318.348 3.208 20 5 DGBDMO Cc1ccc(F)c(C[N@@H+](C)C[C@H](O)c2cccc([N+](=O)[O-])c2)c1 ZINC000769911060 622575276 /nfs/dbraw/zinc/57/52/76/622575276.db2.gz WEKFLARZAGCGGW-KRWDZBQOSA-N 1 1 318.348 3.208 20 5 DGBDMO CCC[C@]1(CO)CCC[N@H+]1Cc1ccc(Cl)c([N+](=O)[O-])c1 ZINC000769914078 622576327 /nfs/dbraw/zinc/57/63/27/622576327.db2.gz UVYWAOJYULWAQU-OAHLLOKOSA-N 1 1 312.797 3.375 20 5 DGBDMO O=[N+]([O-])c1ccc(Cl)cc1C[NH2+][C@H](CO)c1ccsc1 ZINC000770690091 622661733 /nfs/dbraw/zinc/66/17/33/622661733.db2.gz WAKUGVNMGRKRBM-GFCCVEGCSA-N 1 1 312.778 3.133 20 5 DGBDMO C[C@@H]1CCC[N@H+]1CCNc1ccc([N+](=O)[O-])c(OC(F)F)c1 ZINC000771227443 622729311 /nfs/dbraw/zinc/72/93/11/622729311.db2.gz AAAAIWVJASCCQH-SNVBAGLBSA-N 1 1 315.320 3.092 20 5 DGBDMO C[C@H]([NH2+]Cc1ccc(N(C)C)nc1)c1c(F)cccc1[N+](=O)[O-] ZINC000872022718 622757413 /nfs/dbraw/zinc/75/74/13/622757413.db2.gz YXCFOTDLUWFWDC-NSHDSACASA-N 1 1 318.352 3.046 20 5 DGBDMO C[C@@H]([NH2+]C[C@H](O)c1ccccc1F)c1c(F)cccc1[N+](=O)[O-] ZINC000872024470 622758006 /nfs/dbraw/zinc/75/80/06/622758006.db2.gz SGVXDBXCUOZZTM-BMIGLBTASA-N 1 1 322.311 3.257 20 5 DGBDMO COc1ccc(C[NH2+][C@@H](C)c2cccc(O)c2F)cc1[N+](=O)[O-] ZINC000872028295 622761201 /nfs/dbraw/zinc/76/12/01/622761201.db2.gz ITMOAKOVGPVPBK-JTQLQIEISA-N 1 1 320.320 3.299 20 5 DGBDMO CCc1cc(C[NH2+][C@@H](C)c2cc([N+](=O)[O-])ccc2SC)[nH]n1 ZINC000872035450 622765883 /nfs/dbraw/zinc/76/58/83/622765883.db2.gz ONFWSLUACDWPFW-JTQLQIEISA-N 1 1 320.418 3.453 20 5 DGBDMO C[C@@H](NCC1(C)CC[NH+](C)CC1)c1c(F)cccc1[N+](=O)[O-] ZINC000872060165 622782327 /nfs/dbraw/zinc/78/23/27/622782327.db2.gz NGSIRHCBUZWZIJ-GFCCVEGCSA-N 1 1 309.385 3.116 20 5 DGBDMO O=[N+]([O-])c1cccc([C@H](O)C[NH2+][C@@H](CF)c2ccc(F)cc2)c1 ZINC000872236694 622864593 /nfs/dbraw/zinc/86/45/93/622864593.db2.gz SZNTXDMSJQGYNL-JKSUJKDBSA-N 1 1 322.311 3.068 20 5 DGBDMO Cc1ccc([N+](=O)[O-])c(C)c1C[NH2+]Cc1nn(C)c2ccccc12 ZINC000873105375 623037015 /nfs/dbraw/zinc/03/70/15/623037015.db2.gz UNQBMIXFEWUGSO-UHFFFAOYSA-N 1 1 324.384 3.388 20 5 DGBDMO CC[C@@H]1CCC[N@H+]1Cn1ncc2cc([N+](=O)[O-])cc(Cl)c21 ZINC000774626914 623167062 /nfs/dbraw/zinc/16/70/62/623167062.db2.gz NPEJFJZKHSPRHM-LLVKDONJSA-N 1 1 308.769 3.430 20 5 DGBDMO C[C@H](c1ccccc1F)[N@@H+](C)C[C@H](O)c1ccc([N+](=O)[O-])cc1 ZINC000776273774 623405345 /nfs/dbraw/zinc/40/53/45/623405345.db2.gz AJIJSNIZSJVZFQ-PXAZEXFGSA-N 1 1 318.348 3.460 20 5 DGBDMO CCS[C@@H]1CC[C@@H]([N@@H+](C)C[C@@H](O)c2ccc([N+](=O)[O-])cc2)C1 ZINC000776588097 623444431 /nfs/dbraw/zinc/44/44/31/623444431.db2.gz KQMDSLLSTAVINM-BZUAXINKSA-N 1 1 324.446 3.234 20 5 DGBDMO C[C@H](c1cccc(O)c1)[N@@H+](C)C[C@@H](O)c1ccc([N+](=O)[O-])cc1 ZINC000776593119 623445401 /nfs/dbraw/zinc/44/54/01/623445401.db2.gz PDAZGSYXSDQFSZ-SJKOYZFVSA-N 1 1 316.357 3.027 20 5 DGBDMO Cc1cc(N[C@@H]2CCn3cc[nH+]c3C2)c(Cl)cc1[N+](=O)[O-] ZINC000777802682 623569679 /nfs/dbraw/zinc/56/96/79/623569679.db2.gz SAXNBKQAMXRPPC-SNVBAGLBSA-N 1 1 306.753 3.180 20 5 DGBDMO Cc1ccc([N+](=O)[O-])c(C)c1C[N@H+]1CCC[C@@H](c2cc[nH]n2)C1 ZINC000876619007 623661005 /nfs/dbraw/zinc/66/10/05/623661005.db2.gz LVXMCPMLVILDFR-CQSZACIVSA-N 1 1 314.389 3.314 20 5 DGBDMO Cc1ccc([N+](=O)[O-])c(C)c1C[N@H+]1CCC[C@H](c2ncc[nH]2)C1 ZINC000876620373 623662309 /nfs/dbraw/zinc/66/23/09/623662309.db2.gz MWKNGTZSMYBMQU-AWEZNQCLSA-N 1 1 314.389 3.314 20 5 DGBDMO Cc1ccc([N+](=O)[O-])c(C)c1C[N@@H+](C)CCc1nccs1 ZINC000876790511 623707186 /nfs/dbraw/zinc/70/71/86/623707186.db2.gz LFBHADMMUXGBJP-UHFFFAOYSA-N 1 1 305.403 3.343 20 5 DGBDMO Cc1nn(C[N@H+]2CCC[C@@H]2CC2CCCCC2)cc1[N+](=O)[O-] ZINC000779860421 623823243 /nfs/dbraw/zinc/82/32/43/623823243.db2.gz YURCPEJDDDAGEZ-OAHLLOKOSA-N 1 1 306.410 3.492 20 5 DGBDMO Cc1nn(C[N@@H+]2CC[C@H](Cc3ccccc3)[C@H]2C)cc1[N+](=O)[O-] ZINC000779864387 623824743 /nfs/dbraw/zinc/82/47/43/623824743.db2.gz AXNPETFBMGGDMT-GDBMZVCRSA-N 1 1 314.389 3.010 20 5 DGBDMO Cc1ccc([N+](=O)[O-])c(C)c1C[N@H+]1CCC[C@H]1[C@@H]1CCCO1 ZINC000877507550 623916267 /nfs/dbraw/zinc/91/62/67/623916267.db2.gz PECBBRQJXSCPKQ-IRXDYDNUSA-N 1 1 304.390 3.355 20 5 DGBDMO O=[N+]([O-])c1cc(C[N@H+]2CC[C@H]3CSC[C@H]3C2)ccc1Cl ZINC000877737351 624010888 /nfs/dbraw/zinc/01/08/88/624010888.db2.gz FWDCFZSBLWSFMO-NWDGAFQWSA-N 1 1 312.822 3.433 20 5 DGBDMO CCOc1ccc([N+](=O)[O-])cc1C[N@H+]1CC[C@H]2CSC[C@H]2C1 ZINC000877741346 624013432 /nfs/dbraw/zinc/01/34/32/624013432.db2.gz VJDNVYISEDWYPF-GXTWGEPZSA-N 1 1 322.430 3.178 20 5 DGBDMO O=[N+]([O-])c1ccccc1/C=C\C[N@H+]1CC[C@@H]2CSC[C@@H]2C1 ZINC000877741473 624014104 /nfs/dbraw/zinc/01/41/04/624014104.db2.gz VWSKWCAIFAWCQF-SUXDSQMHSA-N 1 1 304.415 3.293 20 5 DGBDMO O=[N+]([O-])c1ccc(Cl)cc1C[N@H+]1CC[C@H]2CSC[C@H]2C1 ZINC000877742197 624015641 /nfs/dbraw/zinc/01/56/41/624015641.db2.gz XXOBXNYGFLZFED-CMPLNLGQSA-N 1 1 312.822 3.433 20 5 DGBDMO CC(C)[C@H](C)[N@@H+](C)Cc1nnc(-c2ccccc2[N+](=O)[O-])o1 ZINC000877927600 624096458 /nfs/dbraw/zinc/09/64/58/624096458.db2.gz CHMYVDCLGCJUCL-NSHDSACASA-N 1 1 304.350 3.121 20 5 DGBDMO CCC[C@H](C)[N@@H+](C)Cc1nnc(-c2ccccc2[N+](=O)[O-])o1 ZINC000877953953 624108128 /nfs/dbraw/zinc/10/81/28/624108128.db2.gz TYIXFGLHAUSVSM-NSHDSACASA-N 1 1 304.350 3.265 20 5 DGBDMO CC[C@H]1CCC[N@H+]1Cc1nnc(-c2ccccc2[N+](=O)[O-])o1 ZINC000878045985 624148559 /nfs/dbraw/zinc/14/85/59/624148559.db2.gz OVYXYAJMQYPJHM-NSHDSACASA-N 1 1 302.334 3.019 20 5 DGBDMO C[C@@H]([N@@H+](C)Cc1nnc(-c2ccccc2[N+](=O)[O-])o1)C1(C)CC1 ZINC000878179781 624204540 /nfs/dbraw/zinc/20/45/40/624204540.db2.gz QNOQFZBAQOFUMI-LLVKDONJSA-N 1 1 316.361 3.265 20 5 DGBDMO CC(C)[N@H+](Cc1nnc(-c2ccccc2[N+](=O)[O-])o1)CC1CC1 ZINC000878210399 624217130 /nfs/dbraw/zinc/21/71/30/624217130.db2.gz QFAPFYYKHAUANA-UHFFFAOYSA-N 1 1 316.361 3.265 20 5 DGBDMO CC(C)[N@@H+](CCC(=O)Nc1cc([N+](=O)[O-])ccc1F)CC1CC1 ZINC000782512270 624258070 /nfs/dbraw/zinc/25/80/70/624258070.db2.gz GPGNCHHLZLPKRY-UHFFFAOYSA-N 1 1 323.368 3.183 20 5 DGBDMO CC(C)[C@H]1CC[N@@H+](CCC(=O)Nc2cc([N+](=O)[O-])ccc2F)C1 ZINC000782510356 624258152 /nfs/dbraw/zinc/25/81/52/624258152.db2.gz GORWRYMESUADMI-LBPRGKRZSA-N 1 1 323.368 3.040 20 5 DGBDMO Cc1ncc([N+](=O)[O-])n1CC[N@H+]1CCCC[C@@H]1c1ccccc1 ZINC000878433883 624277471 /nfs/dbraw/zinc/27/74/71/624277471.db2.gz NHOZUNCFCWLEKB-MRXNPFEDSA-N 1 1 314.389 3.327 20 5 DGBDMO Cc1nn(C[N@@H+]2C[C@H](c3ccc(C)cc3)C[C@H]2C)cc1[N+](=O)[O-] ZINC000782957634 624294734 /nfs/dbraw/zinc/29/47/34/624294734.db2.gz XTXCBCUAXWLJEN-CZUORRHYSA-N 1 1 314.389 3.244 20 5 DGBDMO C[N@@H+](CCc1ccccc1[N+](=O)[O-])C[C@@H]1C[C@H]2CCC[C@@H]2O1 ZINC000878598315 624318111 /nfs/dbraw/zinc/31/81/11/624318111.db2.gz CHMKOSDZACUXSU-VYDXJSESSA-N 1 1 304.390 3.027 20 5 DGBDMO C[N@@H+](CCc1ccccc1[N+](=O)[O-])C[C@@H]1CC2(CCC2)CO1 ZINC000878598369 624318460 /nfs/dbraw/zinc/31/84/60/624318460.db2.gz FOTCVXMLPGZISP-HNNXBMFYSA-N 1 1 304.390 3.028 20 5 DGBDMO Cc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@@H+]1CCC=C(Cl)C1 ZINC000878792731 624361229 /nfs/dbraw/zinc/36/12/29/624361229.db2.gz RGOBKJFVFOPJTK-UHFFFAOYSA-N 1 1 323.780 3.060 20 5 DGBDMO Cc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@H+]1CCC=C(Cl)C1 ZINC000878792731 624361231 /nfs/dbraw/zinc/36/12/31/624361231.db2.gz RGOBKJFVFOPJTK-UHFFFAOYSA-N 1 1 323.780 3.060 20 5 DGBDMO O=[N+]([O-])c1ccc(C[N@H+]2CCC[C@@H](c3ncc[nH]3)C2)cc1Cl ZINC000783535170 624363433 /nfs/dbraw/zinc/36/34/33/624363433.db2.gz NLBIXVIRPOXLJA-GFCCVEGCSA-N 1 1 320.780 3.351 20 5 DGBDMO CC[N@H+]1C[C@@H](C)N(Cc2ccc([N+](=O)[O-])c(Cl)c2)C[C@H]1C ZINC000783569438 624367397 /nfs/dbraw/zinc/36/73/97/624367397.db2.gz GTLVXHHFLPQLBH-VXGBXAGGSA-N 1 1 311.813 3.163 20 5 DGBDMO CCC[N@@H+](Cc1nnc(-c2ccccc2[N+](=O)[O-])o1)C(C)C ZINC000878844154 624370752 /nfs/dbraw/zinc/37/07/52/624370752.db2.gz RTKDUPIOKQIAAL-UHFFFAOYSA-N 1 1 304.350 3.265 20 5 DGBDMO C[NH+]1CCC2(CCN(Cc3cc([N+](=O)[O-])ccc3Cl)C2)CC1 ZINC000878864525 624375607 /nfs/dbraw/zinc/37/56/07/624375607.db2.gz FOPPQBIWJWGUEX-UHFFFAOYSA-N 1 1 323.824 3.166 20 5 DGBDMO CC(C)[C@@H]1C[N@@H+](C)CCN1Cc1ccc([N+](=O)[O-])c(Cl)c1 ZINC000783663646 624381183 /nfs/dbraw/zinc/38/11/83/624381183.db2.gz BZDLPCVPDIGJOU-HNNXBMFYSA-N 1 1 311.813 3.020 20 5 DGBDMO COc1ccc(C[N@H+](C)Cc2ccc([N+](=O)[O-])c(Cl)c2)cn1 ZINC000783666082 624381467 /nfs/dbraw/zinc/38/14/67/624381467.db2.gz GAAXQNQNJZUUMM-UHFFFAOYSA-N 1 1 321.764 3.284 20 5 DGBDMO COc1ccc(C[N@@H+](C)Cc2ccc([N+](=O)[O-])c(Cl)c2)cn1 ZINC000783666082 624381474 /nfs/dbraw/zinc/38/14/74/624381474.db2.gz GAAXQNQNJZUUMM-UHFFFAOYSA-N 1 1 321.764 3.284 20 5 DGBDMO C[N@@H+](C[C@H]1CC=CCC1)Cn1ncc2cc([N+](=O)[O-])ccc21 ZINC000784013715 624421338 /nfs/dbraw/zinc/42/13/38/624421338.db2.gz JEJMQTFRCWHCLY-ZDUSSCGKSA-N 1 1 300.362 3.190 20 5 DGBDMO C[NH+]1CCC2(CCN(Cc3ccc([N+](=O)[O-])c(F)c3)CC2)CC1 ZINC000879250175 624464056 /nfs/dbraw/zinc/46/40/56/624464056.db2.gz OVSKAYACGHRQNR-UHFFFAOYSA-N 1 1 321.396 3.042 20 5 DGBDMO Cc1ccc([N+](=O)[O-])cc1[C@H](C)[N@H+]1CCC[C@H](C(C)(C)O)C1 ZINC000879963476 624738891 /nfs/dbraw/zinc/73/88/91/624738891.db2.gz KGQDPCJMVQRXEC-KBPBESRZSA-N 1 1 306.406 3.447 20 5 DGBDMO COC(=O)CC[C@H]1CCC[N@H+]([C@@H](C)c2ccccc2[N+](=O)[O-])C1 ZINC000880038849 624762710 /nfs/dbraw/zinc/76/27/10/624762710.db2.gz BALWUWGXQCTUBC-UONOGXRCSA-N 1 1 320.389 3.321 20 5 DGBDMO C[C@@H](O)[C@H]1C[C@H](C)CC[N@H+]1Cc1ccc([N+](=O)[O-])c(Cl)c1 ZINC000785988351 624774898 /nfs/dbraw/zinc/77/48/98/624774898.db2.gz LTHJTNPCYTYNCI-UEKVPHQBSA-N 1 1 312.797 3.230 20 5 DGBDMO CO[C@]1(C(F)(F)F)CC[N@H+](Cc2cccc([N+](=O)[O-])c2C)C1 ZINC000880303349 624904214 /nfs/dbraw/zinc/90/42/14/624904214.db2.gz NKNUGJJELFGYKD-CYBMUJFWSA-N 1 1 318.295 3.056 20 5 DGBDMO CO[C@]1(C(F)(F)F)CC[N@@H+](Cc2cccc([N+](=O)[O-])c2C)C1 ZINC000880303349 624904216 /nfs/dbraw/zinc/90/42/16/624904216.db2.gz NKNUGJJELFGYKD-CYBMUJFWSA-N 1 1 318.295 3.056 20 5 DGBDMO O=[N+]([O-])c1ccc(CC[N@H+]2CC[C@@H](c3nccs3)C2)cc1 ZINC000880316525 624912159 /nfs/dbraw/zinc/91/21/59/624912159.db2.gz HAVVYCDWINEXES-CYBMUJFWSA-N 1 1 303.387 3.083 20 5 DGBDMO C[C@@H]1c2sccc2CC[N@@H+]1C[C@H](O)c1cccc([N+](=O)[O-])c1 ZINC000880377119 624943195 /nfs/dbraw/zinc/94/31/95/624943195.db2.gz OQGAJLWRFIQVMF-ABAIWWIYSA-N 1 1 318.398 3.309 20 5 DGBDMO C[C@H](NCC[N@H+]1[C@H](C)CCC[C@@H]1C)c1ccc(N)c([N+](=O)[O-])c1 ZINC000788596669 625223776 /nfs/dbraw/zinc/22/37/76/625223776.db2.gz ZSAMHVVALKPASF-MJBXVCDLSA-N 1 1 320.437 3.091 20 5 DGBDMO C[C@H](NCC[N@@H+]1[C@H](C)CCC[C@@H]1C)c1ccc(N)c([N+](=O)[O-])c1 ZINC000788596669 625223813 /nfs/dbraw/zinc/22/38/13/625223813.db2.gz ZSAMHVVALKPASF-MJBXVCDLSA-N 1 1 320.437 3.091 20 5 DGBDMO CC1=C[C@H](C)C[N@@H+](Cn2cc(-c3ccc([N+](=O)[O-])cc3)cn2)C1 ZINC000797419107 626141301 /nfs/dbraw/zinc/14/13/01/626141301.db2.gz BSYKIFPVCASMDM-ZDUSSCGKSA-N 1 1 312.373 3.314 20 5 DGBDMO CC(C)n1cc([C@@H](C)[NH2+]Cc2ccc([N+](=O)[O-])c(F)c2)cn1 ZINC000801539965 626408960 /nfs/dbraw/zinc/40/89/60/626408960.db2.gz RURARIPXSVLNOW-LLVKDONJSA-N 1 1 306.341 3.362 20 5 DGBDMO C[C@@H](CNc1c([N+](=O)[O-])cccc1[N+](=O)[O-])[N@H+]1CCCC[C@H]1C ZINC000804349630 626672275 /nfs/dbraw/zinc/67/22/75/626672275.db2.gz PAEVRPLYROTXMD-NEPJUHHUSA-N 1 1 322.365 3.178 20 5 DGBDMO CN(Cc1ccc([N+](=O)[O-])c(Cl)c1)C1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC000809705213 626939470 /nfs/dbraw/zinc/93/94/70/626939470.db2.gz QQEVPWVMJSYSNP-PBWFPOADSA-N 1 1 323.824 3.305 20 5 DGBDMO CCCC[N@@H+](CCO)Cc1cc(Cl)cc(Cl)c1[N+](=O)[O-] ZINC000809942074 626961066 /nfs/dbraw/zinc/96/10/66/626961066.db2.gz CWIMKFDIBPWGJZ-UHFFFAOYSA-N 1 1 321.204 3.496 20 5 DGBDMO C[N@@H+](Cc1cc(Cl)cc(Cl)c1[N+](=O)[O-])C(C)(C)CO ZINC000809947307 626962070 /nfs/dbraw/zinc/96/20/70/626962070.db2.gz DFJOLCCJSAJXKQ-UHFFFAOYSA-N 1 1 307.177 3.104 20 5 DGBDMO C[C@@H]1[C@@H](Cc2ccccc2)CC[N@H+]1Cc1cccnc1[N+](=O)[O-] ZINC000886030271 627088555 /nfs/dbraw/zinc/08/85/55/627088555.db2.gz IEBKZXXLRFZYCJ-GDBMZVCRSA-N 1 1 311.385 3.443 20 5 DGBDMO CC[N@H+](Cc1ccccc1C)C[C@H](O)c1cccc([N+](=O)[O-])c1 ZINC000136924363 627104463 /nfs/dbraw/zinc/10/44/63/627104463.db2.gz IBYMNZNEEMWSIU-SFHVURJKSA-N 1 1 314.385 3.459 20 5 DGBDMO CC(C)([NH2+]Cc1cccnc1[N+](=O)[O-])c1ccc(F)c(F)c1 ZINC000886111554 627107020 /nfs/dbraw/zinc/10/70/20/627107020.db2.gz DNOCIBCELQNURM-UHFFFAOYSA-N 1 1 307.300 3.293 20 5 DGBDMO O=[N+]([O-])c1ncccc1C[N@H+]1CC[C@@]2(CCc3ccccc32)C1 ZINC000886314081 627135561 /nfs/dbraw/zinc/13/55/61/627135561.db2.gz LQQPHVRBQBNUNG-SFHVURJKSA-N 1 1 309.369 3.080 20 5 DGBDMO Cc1ccccc1[C@H](CO)[N@H+](C)Cc1ccccc1[N+](=O)[O-] ZINC000886430359 627147595 /nfs/dbraw/zinc/14/75/95/627147595.db2.gz LFOPMZJWFPAIPI-KRWDZBQOSA-N 1 1 300.358 3.069 20 5 DGBDMO Cc1ccccc1[C@H](CO)[N@@H+](C)Cc1ccccc1[N+](=O)[O-] ZINC000886430359 627147597 /nfs/dbraw/zinc/14/75/97/627147597.db2.gz LFOPMZJWFPAIPI-KRWDZBQOSA-N 1 1 300.358 3.069 20 5 DGBDMO O=[N+]([O-])c1cc(Cl)ccc1C[N@H+]1CC[C@H]([C@H]2CCCO2)C1 ZINC000886815378 627208180 /nfs/dbraw/zinc/20/81/80/627208180.db2.gz COZNHKRWASSQPF-SWLSCSKDSA-N 1 1 310.781 3.249 20 5 DGBDMO O=[N+]([O-])c1ccc(Cl)c(C[N@H+]2CC[C@@H]([C@H]3CCCO3)C2)c1 ZINC000886830912 627209869 /nfs/dbraw/zinc/20/98/69/627209869.db2.gz ZRENTOBWTZRLPA-IAQYHMDHSA-N 1 1 310.781 3.249 20 5 DGBDMO Cc1cc(F)cc(C(=O)OCC[C@@H]2CCCC[N@@H+]2C)c1[N+](=O)[O-] ZINC000840269766 627424569 /nfs/dbraw/zinc/42/45/69/627424569.db2.gz PBQLJIBYTRNUOL-ZDUSSCGKSA-N 1 1 324.352 3.074 20 5 DGBDMO C[C@H](NCC(C)(C)[NH+]1CCCCC1)c1ccc(N)c([N+](=O)[O-])c1 ZINC000815552567 627684430 /nfs/dbraw/zinc/68/44/30/627684430.db2.gz DZPBQAKHKIQETQ-ZDUSSCGKSA-N 1 1 320.437 3.092 20 5 DGBDMO C[C@@H]([NH2+]Cc1cc(F)ccc1F)c1ccc(N)c([N+](=O)[O-])c1 ZINC000815577790 627686102 /nfs/dbraw/zinc/68/61/02/627686102.db2.gz ZDVZKPDPVLGIAN-SECBINFHSA-N 1 1 307.300 3.306 20 5 DGBDMO Cc1ccc(CN[C@@H]2CC[NH2+]C[C@H]2C2CCCC2)cc1[N+](=O)[O-] ZINC000925733719 627784324 /nfs/dbraw/zinc/78/43/24/627784324.db2.gz LULIQTVBUBFVKE-DLBZAZTESA-N 1 1 317.433 3.161 20 5 DGBDMO C[N@H+]1CCC[C@@]2(CCN(Cc3ccc([N+](=O)[O-])c(Cl)c3)C2)C1 ZINC000816642206 627818446 /nfs/dbraw/zinc/81/84/46/627818446.db2.gz RVYVZPWLKUKROR-MRXNPFEDSA-N 1 1 323.824 3.166 20 5 DGBDMO Cc1ccc([C@@H](C)[NH2+]Cc2cc(C3CC3)n(C)n2)cc1[N+](=O)[O-] ZINC000927113995 628018375 /nfs/dbraw/zinc/01/83/75/628018375.db2.gz QCWDXQYRMFKESE-GFCCVEGCSA-N 1 1 314.389 3.365 20 5 DGBDMO C[C@H]1CN(Cc2ccc(Cl)c([N+](=O)[O-])c2)CC[N@H+](C2CC2)C1 ZINC000824445711 628661465 /nfs/dbraw/zinc/66/14/65/628661465.db2.gz LEAKCAKTMSOEPH-LBPRGKRZSA-N 1 1 323.824 3.164 20 5 DGBDMO O=[N+]([O-])c1cc(C[N@@H+]2CCC[C@@H]2[C@@H]2CCC[C@H]2O)ccc1Cl ZINC000824715167 628686217 /nfs/dbraw/zinc/68/62/17/628686217.db2.gz IQWQKUFTQOEYSX-JGGQBBKZSA-N 1 1 324.808 3.374 20 5 DGBDMO CCCc1ncc(C[NH2+]Cc2ccc([N+](=O)[O-])c(Cl)c2)o1 ZINC000825084274 628725566 /nfs/dbraw/zinc/72/55/66/628725566.db2.gz DGLGBIQYLIKNIG-UHFFFAOYSA-N 1 1 309.753 3.479 20 5 DGBDMO CC(C)(C)[N@H+]1CC[C@@H](NCc2ccc([N+](=O)[O-])c(Cl)c2)C1 ZINC000826868027 628897335 /nfs/dbraw/zinc/89/73/35/628897335.db2.gz OOXCNGNUAIRADE-GFCCVEGCSA-N 1 1 311.813 3.211 20 5 DGBDMO CC(C)(C)N1CC[C@@H]([NH2+]Cc2ccc([N+](=O)[O-])c(Cl)c2)C1 ZINC000826868027 628897337 /nfs/dbraw/zinc/89/73/37/628897337.db2.gz OOXCNGNUAIRADE-GFCCVEGCSA-N 1 1 311.813 3.211 20 5 DGBDMO C[C@@H]1CN(c2ccc([N+](=O)[O-])cc2Cl)CC[N@H+](C2CC2)C1 ZINC000828258111 629038672 /nfs/dbraw/zinc/03/86/72/629038672.db2.gz ABDBYTJBBOHRMO-NSHDSACASA-N 1 1 309.797 3.169 20 5 DGBDMO O=[N+]([O-])c1ccc(C[N@H+]2CCC[C@H]2[C@H]2CCCOC2)cc1F ZINC000828906265 629107751 /nfs/dbraw/zinc/10/77/51/629107751.db2.gz VSHDBUJCLMCNHB-ZFWWWQNUSA-N 1 1 308.353 3.125 20 5 DGBDMO O=[N+]([O-])c1ccc([C@@H]2CCC[N@H+](CCCCCCO)C2)cc1 ZINC000831539622 629388202 /nfs/dbraw/zinc/38/82/02/629388202.db2.gz SUJHLPUBLHHITD-MRXNPFEDSA-N 1 1 306.406 3.327 20 5 DGBDMO Cc1ccc(C[N@@H+](C)C[C@@H](O)c2cccc([N+](=O)[O-])c2)cc1C ZINC000832633483 629501197 /nfs/dbraw/zinc/50/11/97/629501197.db2.gz FXSXXEZORZISSL-GOSISDBHSA-N 1 1 314.385 3.377 20 5 DGBDMO CC(C)[C@@H]1C[N@@H+](C[C@@H](O)c2cccc([N+](=O)[O-])c2)[C@@H]1C(C)C ZINC000834387272 629703002 /nfs/dbraw/zinc/70/30/02/629703002.db2.gz DYUOWBUSYMGLEZ-GVDBMIGSSA-N 1 1 306.406 3.241 20 5 DGBDMO CC/C(C)=C\C(=O)O[C@H]1CC[N@H+](Cc2cccc([N+](=O)[O-])c2)C1 ZINC000835457610 629936668 /nfs/dbraw/zinc/93/66/68/629936668.db2.gz KXWRQFKQDWILBI-OVHOFWQVSA-N 1 1 318.373 3.069 20 5 DGBDMO CC/C(C)=C\C(=O)O[C@H]1CC[N@@H+](Cc2cccc([N+](=O)[O-])c2)C1 ZINC000835457610 629936672 /nfs/dbraw/zinc/93/66/72/629936672.db2.gz KXWRQFKQDWILBI-OVHOFWQVSA-N 1 1 318.373 3.069 20 5 DGBDMO C[N@@H+](CCOc1cc(F)ccc1[N+](=O)[O-])Cc1ccccc1 ZINC000842013951 630478210 /nfs/dbraw/zinc/47/82/10/630478210.db2.gz XCOWCNNKTZCZQQ-UHFFFAOYSA-N 1 1 304.321 3.245 20 5 DGBDMO O=[N+]([O-])c1ccc(Cl)c(CN2CCC[C@@H]([C@H]3CC[NH2+]C3)C2)c1 ZINC000843125825 630616396 /nfs/dbraw/zinc/61/63/96/630616396.db2.gz JHOFBBMNXKYEDL-QWHCGFSZSA-N 1 1 323.824 3.070 20 5 DGBDMO O=[N+]([O-])c1ccc(OCC[N@H+]2CCC[C@@]3(CC3(F)F)C2)cc1 ZINC000844435546 630728927 /nfs/dbraw/zinc/72/89/27/630728927.db2.gz FCHDDAMFWIUTEC-CQSZACIVSA-N 1 1 312.316 3.095 20 5 DGBDMO O=[N+]([O-])c1ccc(C[N@@H+]2CCC[C@@]3(CC3(F)F)C2)c(F)c1 ZINC000844436990 630729278 /nfs/dbraw/zinc/72/92/78/630729278.db2.gz KGSVPJBUXLQKFA-CYBMUJFWSA-N 1 1 300.280 3.355 20 5 DGBDMO O=[N+]([O-])c1ccc(C[N@H+]2CCC[C@@]3(CC3(F)F)C2)c(F)c1 ZINC000844436990 630729279 /nfs/dbraw/zinc/72/92/79/630729279.db2.gz KGSVPJBUXLQKFA-CYBMUJFWSA-N 1 1 300.280 3.355 20 5 DGBDMO O=[N+]([O-])c1cccc(F)c1C[N@@H+]1CCC[C@@]2(CC2(F)F)C1 ZINC000844437440 630729499 /nfs/dbraw/zinc/72/94/99/630729499.db2.gz LEURWMDSJCCEKP-CYBMUJFWSA-N 1 1 300.280 3.355 20 5 DGBDMO O=[N+]([O-])c1cccc(F)c1C[N@H+]1CCC[C@@]2(CC2(F)F)C1 ZINC000844437440 630729501 /nfs/dbraw/zinc/72/95/01/630729501.db2.gz LEURWMDSJCCEKP-CYBMUJFWSA-N 1 1 300.280 3.355 20 5 DGBDMO COc1cc([N+](=O)[O-])ccc1C[N@H+]1CCC[C@]2(CC2(F)F)C1 ZINC000844439470 630729807 /nfs/dbraw/zinc/72/98/07/630729807.db2.gz IDTXRSLQZDUSAW-AWEZNQCLSA-N 1 1 312.316 3.225 20 5 DGBDMO O=[N+]([O-])c1cc(C[N@@H+]2CC[C@@]3(CC3(F)F)C2)ccc1Cl ZINC000844471824 630733190 /nfs/dbraw/zinc/73/31/90/630733190.db2.gz RTWFJWDYUZBYQJ-GFCCVEGCSA-N 1 1 302.708 3.479 20 5 DGBDMO O=[N+]([O-])c1cc(C[N@H+]2CC[C@@]3(CC3(F)F)C2)ccc1Cl ZINC000844471824 630733191 /nfs/dbraw/zinc/73/31/91/630733191.db2.gz RTWFJWDYUZBYQJ-GFCCVEGCSA-N 1 1 302.708 3.479 20 5 DGBDMO O=[N+]([O-])c1ccc2c(cnn2C[N@@H+]2CCC[C@@]3(CC3(F)F)C2)c1 ZINC000844746663 630830271 /nfs/dbraw/zinc/83/02/71/630830271.db2.gz NUBUKJGBVOMZOH-CQSZACIVSA-N 1 1 322.315 3.023 20 5 DGBDMO O=[N+]([O-])c1ccc2c(cnn2C[N@H+]2CCC[C@@]3(CC3(F)F)C2)c1 ZINC000844746663 630830275 /nfs/dbraw/zinc/83/02/75/630830275.db2.gz NUBUKJGBVOMZOH-CQSZACIVSA-N 1 1 322.315 3.023 20 5 DGBDMO O=[N+]([O-])c1cc(F)c(Cl)cc1N[C@@H]1CCn2cc[nH+]c2C1 ZINC000845517994 631180180 /nfs/dbraw/zinc/18/01/80/631180180.db2.gz CQVBKLSQTPNREA-MRVPVSSYSA-N 1 1 310.716 3.011 20 5 DGBDMO C[C@H]1C[C@@H]1C(N)=[NH+]OCc1cc([N+](=O)[O-])ccc1C(F)(F)F ZINC000848516953 631672952 /nfs/dbraw/zinc/67/29/52/631672952.db2.gz BTDNAWUROUEWBG-XVKPBYJWSA-N 1 1 317.267 3.268 20 5 DGBDMO Cc1ncncc1[C@H](C)[NH2+]Cc1cc([N+](=O)[O-])ccc1Cl ZINC000848534979 631681806 /nfs/dbraw/zinc/68/18/06/631681806.db2.gz CBVCQNYPIXZMIP-VIFPVBQESA-N 1 1 306.753 3.197 20 5 DGBDMO CC(=O)c1ccc([N+](=O)[O-])cc1N[C@@H]1CCC[N@H+]2CCCC[C@H]12 ZINC000848785596 631748037 /nfs/dbraw/zinc/74/80/37/631748037.db2.gz MTOLTWCFMOIRQK-NVXWUHKLSA-N 1 1 317.389 3.226 20 5 DGBDMO CC1(C)OC[C@H](CC[N@@H+](Cc2cccc([N+](=O)[O-])c2)C2CC2)O1 ZINC000851816535 632502222 /nfs/dbraw/zinc/50/22/22/632502222.db2.gz ILWVSKJPJRFITB-INIZCTEOSA-N 1 1 320.389 3.101 20 5 DGBDMO CO[C@@H]1CC[C@@H]([N@H+]2CCC[C@H](c3ccc([N+](=O)[O-])cc3)C2)C1 ZINC000852135547 632561301 /nfs/dbraw/zinc/56/13/01/632561301.db2.gz PQDYURJSAFAYBU-USXIJHARSA-N 1 1 304.390 3.342 20 5 DGBDMO C[N@@H+](Cc1ccc(F)cc1[N+](=O)[O-])C[C@](C)(O)c1ccccc1 ZINC000852193270 632568348 /nfs/dbraw/zinc/56/83/48/632568348.db2.gz ZVQKZNCYRHENNJ-KRWDZBQOSA-N 1 1 318.348 3.073 20 5 DGBDMO CC[C@H](C)[N@@H+](CC)CC(=O)Nc1cc(Cl)ccc1[N+](=O)[O-] ZINC000852294174 632582623 /nfs/dbraw/zinc/58/26/23/632582623.db2.gz WPFAWZFHWBUZBB-JTQLQIEISA-N 1 1 313.785 3.307 20 5 DGBDMO C[C@H]1CCC[N@@H+](Cc2cc([N+](=O)[O-])ccc2Cl)[C@@H]1CCO ZINC000852457413 632606197 /nfs/dbraw/zinc/60/61/97/632606197.db2.gz RJUZQQXKRSYDAM-XHDPSFHLSA-N 1 1 312.797 3.231 20 5 DGBDMO CCC[N@@H+](Cc1cc([N+](=O)[O-])ccc1Cl)CC(C)(C)O ZINC000708538107 660924101 /nfs/dbraw/zinc/92/41/01/660924101.db2.gz DSHLICGUTZRABS-UHFFFAOYSA-N 1 1 300.786 3.231 20 5 DGBDMO C[N@@H+](Cn1ncc2ccc([N+](=O)[O-])cc21)[C@@H]1CCC(C)(C)C1 ZINC000794683328 661098453 /nfs/dbraw/zinc/09/84/53/661098453.db2.gz DGJSCISQWSNBGT-CQSZACIVSA-N 1 1 302.378 3.413 20 5 DGBDMO O=[N+]([O-])c1ccnn1C[N@H+]1C[C@H](c2ccccc2)[C@H]2CCC[C@@H]21 ZINC000795678532 661167178 /nfs/dbraw/zinc/16/71/78/661167178.db2.gz FMOHHMGYVFMMDC-OAGGEKHMSA-N 1 1 312.373 3.017 20 5 DGBDMO COCCc1cc[nH+]c(NCc2ccc([N+](=O)[O-])c(Cl)c2)c1 ZINC000795809452 661173635 /nfs/dbraw/zinc/17/36/35/661173635.db2.gz STJUASMMFYFIJL-UHFFFAOYSA-N 1 1 321.764 3.444 20 5 DGBDMO C[C@@H](c1ccc(F)nc1)[N@@H+](C)CCc1ccccc1[N+](=O)[O-] ZINC000930438866 661273087 /nfs/dbraw/zinc/27/30/87/661273087.db2.gz DROFQQVYRZVAOI-LBPRGKRZSA-N 1 1 303.337 3.364 20 5 DGBDMO C[C@H](c1ccc(F)nc1)[N@@H+](C)CCc1ccccc1[N+](=O)[O-] ZINC000930438863 661273100 /nfs/dbraw/zinc/27/31/00/661273100.db2.gz DROFQQVYRZVAOI-GFCCVEGCSA-N 1 1 303.337 3.364 20 5 DGBDMO Cc1cc(Cl)c([N+](=O)[O-])cc1OC(=O)[C@@H](C(C)C)[NH+](C)C ZINC000798831073 658082488 /nfs/dbraw/zinc/08/24/88/658082488.db2.gz AALDRBJGCWOCGI-CYBMUJFWSA-N 1 1 314.769 3.048 20 5 DGBDMO Cc1nn(C[N@@H+]2C[C@@H](c3ccccc3)C[C@H]2C)c(C)c1[N+](=O)[O-] ZINC000246669042 658854314 /nfs/dbraw/zinc/85/43/14/658854314.db2.gz BCUWTYPGKNETJA-WBMJQRKESA-N 1 1 314.389 3.244 20 5 DGBDMO C[N@H+](CCc1ccncc1)Cc1cc([N+](=O)[O-])ccc1Cl ZINC000078347216 658942011 /nfs/dbraw/zinc/94/20/11/658942011.db2.gz MXDJXMPHZZBEFF-UHFFFAOYSA-N 1 1 305.765 3.318 20 5 DGBDMO C[N@@H+](CCc1ccncc1)Cc1cc([N+](=O)[O-])ccc1Cl ZINC000078347216 658942015 /nfs/dbraw/zinc/94/20/15/658942015.db2.gz MXDJXMPHZZBEFF-UHFFFAOYSA-N 1 1 305.765 3.318 20 5 DGBDMO COc1ccc(C[N@H+](C)Cc2ccc([N+](=O)[O-])cc2)cc1F ZINC000061783725 659291188 /nfs/dbraw/zinc/29/11/88/659291188.db2.gz LAPMGDADBVOAMW-UHFFFAOYSA-N 1 1 304.321 3.375 20 5 DGBDMO COc1ccc(C[N@@H+](C)Cc2ccc([N+](=O)[O-])cc2)cc1F ZINC000061783725 659291189 /nfs/dbraw/zinc/29/11/89/659291189.db2.gz LAPMGDADBVOAMW-UHFFFAOYSA-N 1 1 304.321 3.375 20 5 DGBDMO CC[C@@H](O)[C@H]1CCCC[N@H+]1Cc1cc([N+](=O)[O-])ccc1Cl ZINC000172180331 659323412 /nfs/dbraw/zinc/32/34/12/659323412.db2.gz VKKBWRCGBPKTRB-HUUCEWRRSA-N 1 1 312.797 3.374 20 5 DGBDMO C[N@@H+](CCCNCc1ccccc1[N+](=O)[O-])C1CCCCC1 ZINC000069953131 660031118 /nfs/dbraw/zinc/03/11/18/660031118.db2.gz MWKMFZWBIHZZLB-UHFFFAOYSA-N 1 1 305.422 3.339 20 5 DGBDMO Cc1cc(C[N@H+](Cc2cccc([N+](=O)[O-])c2)C2CC2)c(C)nn1 ZINC000929852091 661344678 /nfs/dbraw/zinc/34/46/78/661344678.db2.gz FPQKTTNHMODNQJ-UHFFFAOYSA-N 1 1 312.373 3.166 20 5 DGBDMO Cc1cc(C[N@@H+](Cc2cccc([N+](=O)[O-])c2)C2CC2)c(C)nn1 ZINC000929852091 661344679 /nfs/dbraw/zinc/34/46/79/661344679.db2.gz FPQKTTNHMODNQJ-UHFFFAOYSA-N 1 1 312.373 3.166 20 5 DGBDMO O=[N+]([O-])c1ccc(C[N@H+]2CC[C@]3(CC(F)(F)C3(F)F)C2)cc1 ZINC000931919873 661522691 /nfs/dbraw/zinc/52/26/91/661522691.db2.gz ZZFJQYLHGIGJBY-LBPRGKRZSA-N 1 1 318.270 3.461 20 5 DGBDMO Cc1nc([C@@H]2CC[N@H+]([C@@H](C)c3cc([N+](=O)[O-])ccc3C)C2)no1 ZINC000931938233 661524358 /nfs/dbraw/zinc/52/43/58/661524358.db2.gz LPDNMCMMGUBBKT-WCQYABFASA-N 1 1 316.361 3.145 20 5 DGBDMO COC(=O)C[C@@H]1C[N@H+]([C@H](C)c2cc([N+](=O)[O-])ccc2C)C[C@H]1C ZINC000932105782 661537165 /nfs/dbraw/zinc/53/71/65/661537165.db2.gz WXNDPIWCSXGYEC-MGPQQGTHSA-N 1 1 320.389 3.095 20 5 DGBDMO C[C@H](c1ccccc1)[C@H]1CCC[N@H+]1Cc1cn(C)nc1[N+](=O)[O-] ZINC000932275373 661555826 /nfs/dbraw/zinc/55/58/26/661555826.db2.gz OXOFTKJHZBHBOP-CZUORRHYSA-N 1 1 314.389 3.096 20 5 DGBDMO C[C@H](c1ccccc1)[C@H]1CCC[N@H+]1CCn1cc([N+](=O)[O-])cn1 ZINC000932277525 661556060 /nfs/dbraw/zinc/55/60/60/661556060.db2.gz VODDGSRULFSVRH-RHSMWYFYSA-N 1 1 314.389 3.059 20 5 DGBDMO O=[N+]([O-])c1ccc(C[NH2+][C@@H](c2ccccn2)C2CC2)cc1F ZINC000932380693 661564577 /nfs/dbraw/zinc/56/45/77/661564577.db2.gz DOGZIULYVWNULT-MRXNPFEDSA-N 1 1 301.321 3.370 20 5 DGBDMO COc1ccc(C[N@H+]2CCCSC[C@@H]2C2CC2)cc1[N+](=O)[O-] ZINC000933916996 661666373 /nfs/dbraw/zinc/66/63/73/661666373.db2.gz XURPCSUMMYXUCU-OAHLLOKOSA-N 1 1 322.430 3.321 20 5 DGBDMO CC1(C)C[N@@H+](C[C@@H](O)c2ccc([N+](=O)[O-])cc2)[C@@H]2CCC[C@@H]21 ZINC000934762125 661732698 /nfs/dbraw/zinc/73/26/98/661732698.db2.gz MWCVPIZURZYFAD-ARFHVFGLSA-N 1 1 304.390 3.139 20 5 DGBDMO O=[N+]([O-])c1cc(F)ccc1C[N@H+]1CCCC[C@@H]([C@@H]2CCOC2)C1 ZINC000934834757 661738890 /nfs/dbraw/zinc/73/88/90/661738890.db2.gz RXVDLPIPQFGGJF-UKRRQHHQSA-N 1 1 322.380 3.373 20 5 DGBDMO Cc1ccc(C[N@H+](C)Cn2ncc3ccc([N+](=O)[O-])cc32)s1 ZINC000076265902 661976004 /nfs/dbraw/zinc/97/60/04/661976004.db2.gz JGXFUYJEYJHISA-UHFFFAOYSA-N 1 1 316.386 3.404 20 5 DGBDMO Cc1ccc(C[N@@H+](C)Cn2ncc3ccc([N+](=O)[O-])cc32)s1 ZINC000076265902 661976006 /nfs/dbraw/zinc/97/60/06/661976006.db2.gz JGXFUYJEYJHISA-UHFFFAOYSA-N 1 1 316.386 3.404 20 5 DGBDMO COc1cc(C[N@H+]2CCC3(CCCC3)C2)c([N+](=O)[O-])cc1OC ZINC000093336612 662353123 /nfs/dbraw/zinc/35/31/23/662353123.db2.gz IITSXAAHYWFRSN-UHFFFAOYSA-N 1 1 320.389 3.378 20 5 DGBDMO C[C@]1(Cc2ccc(F)c(Cl)c2)CCC[N@@H+]1CC[N+](=O)[O-] ZINC001620504369 1191958357 /nfs/dbraw/zinc/95/83/57/1191958357.db2.gz QBHBDFUBVXDGHT-CQSZACIVSA-N 1 1 300.761 3.153 20 5 DGBDMO C[C@]1(Cc2ccc(F)c(Cl)c2)CCC[N@H+]1CC[N+](=O)[O-] ZINC001620504369 1191958359 /nfs/dbraw/zinc/95/83/59/1191958359.db2.gz QBHBDFUBVXDGHT-CQSZACIVSA-N 1 1 300.761 3.153 20 5 DGBDMO [NH3+]C[C@H]1CCCC12CCN(Cc1c(F)cccc1[N+](=O)[O-])CC2 ZINC001580260312 1192017265 /nfs/dbraw/zinc/01/72/65/1192017265.db2.gz NHRCFMUAZCNFBH-CYBMUJFWSA-N 1 1 321.396 3.075 20 5 DGBDMO C[C@@H](CNc1ncc([N+](=O)[O-])c2ccccc21)[N@@H+](C)C1CC1 ZINC001332207249 1178393951 /nfs/dbraw/zinc/39/39/51/1178393951.db2.gz LNWZTPWERBBNHS-NSHDSACASA-N 1 1 300.362 3.038 20 5 DGBDMO O=[N+]([O-])c1cnc(N[C@@H]2CC[N@H+]3CCCC[C@@H]23)c2ccccc21 ZINC001333347622 1178592997 /nfs/dbraw/zinc/59/29/97/1178592997.db2.gz ZQSNOTOLTWUPLM-CABCVRRESA-N 1 1 312.373 3.182 20 5 DGBDMO O=[N+]([O-])c1ccc(-c2cnn(C[N@H+]3CCC[C@@H](CF)C3)c2)cc1 ZINC001333807118 1178677736 /nfs/dbraw/zinc/67/77/36/1178677736.db2.gz OCHBJISJGNEVRB-ZDUSSCGKSA-N 1 1 318.352 3.097 20 5 DGBDMO COc1cccc(F)c1C[NH2+]Cc1ccc(OC)c([N+](=O)[O-])c1 ZINC001335500263 1178921940 /nfs/dbraw/zinc/92/19/40/1178921940.db2.gz QLRTZEXASKSMDX-UHFFFAOYSA-N 1 1 320.320 3.041 20 5 DGBDMO C[C@H]1C[C@@H](Nc2ncc([N+](=O)[O-])c3ccccc32)C[N@H+]1C1CC1 ZINC001349995499 1179994664 /nfs/dbraw/zinc/99/46/64/1179994664.db2.gz QIVRIUXQNOYGCT-NWDGAFQWSA-N 1 1 312.373 3.180 20 5 DGBDMO C[C@H](Nc1cc(N)ccc1[N+](=O)[O-])[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC001354154839 1180731909 /nfs/dbraw/zinc/73/19/09/1180731909.db2.gz FJBFQXGCNYBJDA-QWHCGFSZSA-N 1 1 318.421 3.242 20 5 DGBDMO CCC[N@@H+](CC)C[C@H](C)NC(=O)c1c(C)ccc([N+](=O)[O-])c1C ZINC001450779960 1182258110 /nfs/dbraw/zinc/25/81/10/1182258110.db2.gz KVNHYRUNDHGEQM-ZDUSSCGKSA-N 1 1 321.421 3.062 20 5 DGBDMO O=[N+]([O-])c1cc(Cl)ccc1C[NH2+]Cc1cnn2ccccc12 ZINC001621326312 1193158645 /nfs/dbraw/zinc/15/86/45/1193158645.db2.gz LUEFZVZSYGELHG-UHFFFAOYSA-N 1 1 316.748 3.186 20 5 DGBDMO CC[N@H+]1CCC[C@@H]1CNc1cc(OC)c([N+](=O)[O-])cc1Cl ZINC001458053640 1182492045 /nfs/dbraw/zinc/49/20/45/1182492045.db2.gz FMAYGXKKZMJYPZ-SNVBAGLBSA-N 1 1 313.785 3.153 20 5 DGBDMO C[N@H+]1Cc2ccccc2[C@H]1CNc1nc2cc([N+](=O)[O-])ccc2[nH]1 ZINC001458547745 1182538024 /nfs/dbraw/zinc/53/80/24/1182538024.db2.gz PGVKRLOIFAJGDZ-MRXNPFEDSA-N 1 1 323.356 3.070 20 5 DGBDMO CC[C@@H]([NH2+]Cc1cccnc1[N+](=O)[O-])c1cccc([N+](=O)[O-])c1 ZINC001459864639 1182624154 /nfs/dbraw/zinc/62/41/54/1182624154.db2.gz YYHSXZQRLCDMOJ-CQSZACIVSA-N 1 1 316.317 3.139 20 5 DGBDMO COc1ccc([N+](=O)[O-])cc1C[N@H+]1CCSC[C@@H]1C1CCC1 ZINC001460272548 1182670398 /nfs/dbraw/zinc/67/03/98/1182670398.db2.gz SVNGQGRZEVCMRG-OAHLLOKOSA-N 1 1 322.430 3.321 20 5 DGBDMO CC(C)C1(O)CC[NH+](Cc2ccc(Cl)cc2[N+](=O)[O-])CC1 ZINC001460949112 1182744959 /nfs/dbraw/zinc/74/49/59/1182744959.db2.gz IGGHUQYWFCDOTN-UHFFFAOYSA-N 1 1 312.797 3.231 20 5 DGBDMO O=[N+]([O-])c1cc(Cl)ccc1C[N@@H+]1CCCC[C@]12CCOC2 ZINC001460962935 1182747661 /nfs/dbraw/zinc/74/76/61/1182747661.db2.gz ZKCUHFNCJJFGKZ-OAHLLOKOSA-N 1 1 310.781 3.393 20 5 DGBDMO O=[N+]([O-])c1cc(Cl)ccc1C[N@H+]1CCCC[C@]12CCOC2 ZINC001460962935 1182747665 /nfs/dbraw/zinc/74/76/65/1182747665.db2.gz ZKCUHFNCJJFGKZ-OAHLLOKOSA-N 1 1 310.781 3.393 20 5 DGBDMO CC[N@H+]1CC[C@H]2CC[C@@H](C1)N2Cc1c(C)ccc([N+](=O)[O-])c1C ZINC001461870875 1182868144 /nfs/dbraw/zinc/86/81/44/1182868144.db2.gz HEQKTQGPBRSLEV-CVEARBPZSA-N 1 1 317.433 3.270 20 5 DGBDMO CCN1CC[C@H]2CC[C@@H](C1)[N@@H+]2Cc1c(C)ccc([N+](=O)[O-])c1C ZINC001461870875 1182868150 /nfs/dbraw/zinc/86/81/50/1182868150.db2.gz HEQKTQGPBRSLEV-CVEARBPZSA-N 1 1 317.433 3.270 20 5 DGBDMO CCN1CC[C@H]2CC[C@@H](C1)[N@H+]2Cc1c(C)ccc([N+](=O)[O-])c1C ZINC001461870875 1182868158 /nfs/dbraw/zinc/86/81/58/1182868158.db2.gz HEQKTQGPBRSLEV-CVEARBPZSA-N 1 1 317.433 3.270 20 5 DGBDMO Cc1ccc(NCCNc2ccc([N+](=O)[O-])c3cccnc23)[nH+]c1 ZINC001472885312 1183696162 /nfs/dbraw/zinc/69/61/62/1183696162.db2.gz OZVZBJTYCKYVEU-UHFFFAOYSA-N 1 1 323.356 3.370 20 5 DGBDMO C[C@@H]1[C@@H](c2ccccc2)c2ccccc2CC[N@H+]1CC[N+](=O)[O-] ZINC001473286815 1183739129 /nfs/dbraw/zinc/73/91/29/1183739129.db2.gz NUEYNAXXCBSNAO-BEFAXECRSA-N 1 1 310.397 3.342 20 5 DGBDMO O=[N+]([O-])c1ccc(CC[N@@H+]2CCc3cc(F)c(F)cc3C2)cc1 ZINC001473754220 1183798831 /nfs/dbraw/zinc/79/88/31/1183798831.db2.gz BIQBASGOFNAQFR-UHFFFAOYSA-N 1 1 318.323 3.474 20 5 DGBDMO O=[N+]([O-])c1ccc(CC[N@H+]2CCc3cc(F)c(F)cc3C2)cc1 ZINC001473754220 1183798834 /nfs/dbraw/zinc/79/88/34/1183798834.db2.gz BIQBASGOFNAQFR-UHFFFAOYSA-N 1 1 318.323 3.474 20 5 DGBDMO Cc1ccc([N+](=O)[O-])c(C)c1C[N@@H+]1CC[C@@H](OCC(C)C)C1 ZINC001474354761 1183909196 /nfs/dbraw/zinc/90/91/96/1183909196.db2.gz VTHGOVJKQHDOKI-OAHLLOKOSA-N 1 1 306.406 3.459 20 5 DGBDMO Cc1ccc([N+](=O)[O-])c(C)c1C[N@@H+](C)C[C@H]1CCCC[C@H]1O ZINC001474391310 1183914213 /nfs/dbraw/zinc/91/42/13/1183914213.db2.gz LOKGLCSWXMUIEB-RHSMWYFYSA-N 1 1 306.406 3.195 20 5 DGBDMO COc1c(O)ccc(C[N@H+]2CC[C@H]3CCCC[C@H]3C2)c1[N+](=O)[O-] ZINC001474403175 1183915996 /nfs/dbraw/zinc/91/59/96/1183915996.db2.gz ZVACOEPYUGVKJO-OLZOCXBDSA-N 1 1 320.389 3.321 20 5 DGBDMO C[N@@H+]1CCN(c2ccc([N+](=O)[O-])cc2Cl)C[C@@H]1C(C)(C)C ZINC001612819822 1193461807 /nfs/dbraw/zinc/46/18/07/1193461807.db2.gz DQBMDIVOGXTAPR-CQSZACIVSA-N 1 1 311.813 3.415 20 5 DGBDMO C[N@H+]1CCN(c2ccc([N+](=O)[O-])cc2Cl)C[C@@H]1C(C)(C)C ZINC001612819822 1193461809 /nfs/dbraw/zinc/46/18/09/1193461809.db2.gz DQBMDIVOGXTAPR-CQSZACIVSA-N 1 1 311.813 3.415 20 5 DGBDMO C[C@H]1C[N@H+](Cc2ccc(Br)cc2[N+](=O)[O-])C[C@H]1C ZINC001615638548 1193525279 /nfs/dbraw/zinc/52/52/79/1193525279.db2.gz AFFRLXASXBELCQ-AOOOYVTPSA-N 1 1 313.195 3.445 20 5 DGBDMO C[C@H]1C[N@@H+](Cc2ccc(Br)cc2[N+](=O)[O-])C[C@H]1C ZINC001615638548 1193525281 /nfs/dbraw/zinc/52/52/81/1193525281.db2.gz AFFRLXASXBELCQ-AOOOYVTPSA-N 1 1 313.195 3.445 20 5 DGBDMO C[C@@H](c1ccccc1)[N@@H+](CCO)Cc1ccc([N+](=O)[O-])c(F)c1 ZINC001616468186 1193540494 /nfs/dbraw/zinc/54/04/94/1193540494.db2.gz WVIBOEBWRHATEY-ZDUSSCGKSA-N 1 1 318.348 3.289 20 5 DGBDMO C[C@H]1[C@H](Nc2ccc(C(F)(F)F)cc2[N+](=O)[O-])CC[N@H+]1C ZINC001559283673 1189191874 /nfs/dbraw/zinc/19/18/74/1189191874.db2.gz SLYPGLWRFLMQSP-WCBMZHEXSA-N 1 1 303.284 3.118 20 5 DGBDMO CCNc1nc(C[N@H+](C)CCc2ccccc2[N+](=O)[O-])cs1 ZINC001559831655 1189248175 /nfs/dbraw/zinc/24/81/75/1189248175.db2.gz ZKRZHSSKXMJNTB-UHFFFAOYSA-N 1 1 320.418 3.158 20 5 DGBDMO CCNc1nc(C[N@@H+](C)CCc2ccccc2[N+](=O)[O-])cs1 ZINC001559831655 1189248179 /nfs/dbraw/zinc/24/81/79/1189248179.db2.gz ZKRZHSSKXMJNTB-UHFFFAOYSA-N 1 1 320.418 3.158 20 5 DGBDMO C[C@@H](c1ccccc1)[N@@H+](CCO)CCc1ccc([N+](=O)[O-])cc1 ZINC001642341706 1194903252 /nfs/dbraw/zinc/90/32/52/1194903252.db2.gz QXETYURMVNJVFG-HNNXBMFYSA-N 1 1 314.385 3.193 20 5 DGBDMO C[C@@H](c1ccccc1)[N@H+](CCO)Cc1cc(F)ccc1[N+](=O)[O-] ZINC001642341631 1194903622 /nfs/dbraw/zinc/90/36/22/1194903622.db2.gz PTHVWEJEAFZAAQ-ZDUSSCGKSA-N 1 1 318.348 3.289 20 5 DGBDMO C[C@@H](c1ccccc1)[N@@H+](CCO)Cc1cc(F)ccc1[N+](=O)[O-] ZINC001642341631 1194903623 /nfs/dbraw/zinc/90/36/23/1194903623.db2.gz PTHVWEJEAFZAAQ-ZDUSSCGKSA-N 1 1 318.348 3.289 20 5 DGBDMO O=[N+]([O-])c1ccccc1OCC[N@H+]1C[C@@H]2C[C@]2(c2ccccc2)C1 ZINC001644481760 1195112066 /nfs/dbraw/zinc/11/20/66/1195112066.db2.gz ZGEQOJSYIDZUJY-QFBILLFUSA-N 1 1 324.380 3.247 20 5 DGBDMO O=[N+]([O-])CC[N@H+]1CCC[C@@H](Cc2csc3ccccc23)C1 ZINC001645196717 1195165202 /nfs/dbraw/zinc/16/52/02/1195165202.db2.gz HXQIWIBPXVHPMW-ZDUSSCGKSA-N 1 1 304.415 3.433 20 5 DGBDMO COc1cc([N+](=O)[O-])ccc1C[NH2+][C@@H](C)c1ncccc1C ZINC001648601097 1195312307 /nfs/dbraw/zinc/31/23/07/1195312307.db2.gz CMQHPWXXPRDXFR-LBPRGKRZSA-N 1 1 301.346 3.158 20 5 DGBDMO CCCC[N@H+]1CCCC[C@H]1CNc1ccc([N+](=O)[O-])c(C)n1 ZINC001650697388 1195372727 /nfs/dbraw/zinc/37/27/27/1195372727.db2.gz PLWUBKHELZETLX-AWEZNQCLSA-N 1 1 306.410 3.365 20 5 DGBDMO CC[N@H+]1CCCC[C@@H]1CNc1ccc2cnccc2c1[N+](=O)[O-] ZINC001650744747 1195377742 /nfs/dbraw/zinc/37/77/42/1195377742.db2.gz MCEZGKJPFOGKCM-CQSZACIVSA-N 1 1 314.389 3.429 20 5 DGBDMO CC[N@H+]1CC[C@H]1CNc1cc(C(F)(F)F)ccc1[N+](=O)[O-] ZINC001652159466 1195555679 /nfs/dbraw/zinc/55/56/79/1195555679.db2.gz JDBDCDIDQRADQD-JTQLQIEISA-N 1 1 303.284 3.120 20 5 DGBDMO CCC1CCC([N@@H+](Cc2cn(C)nc2[N+](=O)[O-])C2CC2)CC1 ZINC001652305472 1195577976 /nfs/dbraw/zinc/57/79/76/1195577976.db2.gz UJBCKPMHJRWAKD-UHFFFAOYSA-N 1 1 306.410 3.262 20 5 DGBDMO Cc1ccc([N+](=O)[O-])c(C)c1C[N@@H+]1CCO[C@@](C)(C2CC2)C1 ZINC001652814472 1195655201 /nfs/dbraw/zinc/65/52/01/1195655201.db2.gz OMPUYKZXAWLFHN-QGZVFWFLSA-N 1 1 304.390 3.213 20 5 DGBDMO Cc1ccc([N+](=O)[O-])c(C)c1C[N@H+]1CCO[C@@](C)(C2CC2)C1 ZINC001652814472 1195655202 /nfs/dbraw/zinc/65/52/02/1195655202.db2.gz OMPUYKZXAWLFHN-QGZVFWFLSA-N 1 1 304.390 3.213 20 5 DGBDMO COC[C@@H]([NH2+]Cc1ccc([N+](=O)[O-])c(F)c1)c1ccc(F)cc1 ZINC001653035027 1195682486 /nfs/dbraw/zinc/68/24/86/1195682486.db2.gz KGSRFLKUOZHJSH-OAHLLOKOSA-N 1 1 322.311 3.350 20 5 DGBDMO Cc1ncc([N+](=O)[O-])n1CC[N@H+]1CCC[C@@H]1C1CCCCC1 ZINC001653175767 1195696007 /nfs/dbraw/zinc/69/60/07/1195696007.db2.gz LPIRRJMCHHTWCT-OAHLLOKOSA-N 1 1 306.410 3.144 20 5 DGBDMO CC(C)n1cc([C@H](C)[NH2+]Cc2ccc([N+](=O)[O-])cc2F)cn1 ZINC001653192303 1195696647 /nfs/dbraw/zinc/69/66/47/1195696647.db2.gz YZDPPALSSOKFOU-NSHDSACASA-N 1 1 306.341 3.362 20 5 DGBDMO CCC[N@H+](Cc1cccc([N+](=O)[O-])c1C)[C@@H](CC)C(=O)OCC ZINC001653276647 1195706582 /nfs/dbraw/zinc/70/65/82/1195706582.db2.gz NSZHFKKCPUHNOQ-HNNXBMFYSA-N 1 1 322.405 3.457 20 5 DGBDMO CCC[N@@H+](Cc1cccc([N+](=O)[O-])c1C)[C@@H](CC)C(=O)OCC ZINC001653276647 1195706585 /nfs/dbraw/zinc/70/65/85/1195706585.db2.gz NSZHFKKCPUHNOQ-HNNXBMFYSA-N 1 1 322.405 3.457 20 5 DGBDMO CC[C@@H]1C[N@@H+](CC)CCN1Cc1ccc([N+](=O)[O-])cc1Cl ZINC001653600508 1195737884 /nfs/dbraw/zinc/73/78/84/1195737884.db2.gz DMWQCCSLRWGQEK-CYBMUJFWSA-N 1 1 311.813 3.164 20 5 DGBDMO CCOC(=O)[C@H](CC)[N@@H+]1CCC[C@@H](c2ccc([N+](=O)[O-])cc2)C1 ZINC001653648697 1195740998 /nfs/dbraw/zinc/74/09/98/1195740998.db2.gz HLYICPUXGKSWFA-ZBFHGGJFSA-N 1 1 320.389 3.116 20 5 DGBDMO CCOC(=O)[C@H](CC)[N@H+]1CCC[C@@H](c2ccc([N+](=O)[O-])cc2)C1 ZINC001653648697 1195741001 /nfs/dbraw/zinc/74/10/01/1195741001.db2.gz HLYICPUXGKSWFA-ZBFHGGJFSA-N 1 1 320.389 3.116 20 5 DGBDMO O=[N+]([O-])c1cccc(OCC[N@H+]2CC[C@@H](C3CCCC3)C2)c1 ZINC001653950935 1195762829 /nfs/dbraw/zinc/76/28/29/1195762829.db2.gz ZXRLFBUQIAORHT-OAHLLOKOSA-N 1 1 304.390 3.486 20 5 DGBDMO O=[N+]([O-])c1ccccc1OCC[N@@H+](CCC1CC1)CC1CC1 ZINC001654324984 1195793044 /nfs/dbraw/zinc/79/30/44/1195793044.db2.gz XWSUXVDSMURHJD-UHFFFAOYSA-N 1 1 304.390 3.486 20 5 DGBDMO Cc1ccc(C[N@H+](C)C[C@@H](C)C(=O)OC(C)(C)C)cc1[N+](=O)[O-] ZINC001654672148 1195828611 /nfs/dbraw/zinc/82/86/11/1195828611.db2.gz GVCVZPCVCZPXLJ-CYBMUJFWSA-N 1 1 322.405 3.313 20 5 DGBDMO C[C@]12C[N@@H+](CCOc3cccc([N+](=O)[O-])c3)C[C@H]1[C@H]1CC[C@@H]2C1 ZINC001654947635 1195858720 /nfs/dbraw/zinc/85/87/20/1195858720.db2.gz OESKWIPWMQOGPB-IHETXDGRSA-N 1 1 316.401 3.342 20 5 DGBDMO Cc1c(CN[C@H](C)C[N@H+]2CCC[C@H](C)C2)cccc1[N+](=O)[O-] ZINC001655415824 1195913793 /nfs/dbraw/zinc/91/37/93/1195913793.db2.gz ALOBKXZFHWHPAH-UONOGXRCSA-N 1 1 305.422 3.113 20 5 DGBDMO Cc1c(C[NH2+][C@H](C)CN2CCC[C@H](C)C2)cccc1[N+](=O)[O-] ZINC001655415824 1195913795 /nfs/dbraw/zinc/91/37/95/1195913795.db2.gz ALOBKXZFHWHPAH-UONOGXRCSA-N 1 1 305.422 3.113 20 5 DGBDMO C[C@@H]([NH2+]CC(=O)c1ccccc1F)c1ccc([N+](=O)[O-])cc1 ZINC001655548292 1195930372 /nfs/dbraw/zinc/93/03/72/1195930372.db2.gz KYUJFKKQZKYYTG-LLVKDONJSA-N 1 1 302.305 3.267 20 5 DGBDMO CC[N@@H+](CCCNc1ccc([N+](=O)[O-])cn1)C1CCCCC1 ZINC001655641796 1195944473 /nfs/dbraw/zinc/94/44/73/1195944473.db2.gz GNOSUBYFALYITN-UHFFFAOYSA-N 1 1 306.410 3.446 20 5 DGBDMO C[C@@H]1CN(c2ncc([N+](=O)[O-])cc2Cl)CC[N@H+]1C1CCCC1 ZINC001655856863 1195969274 /nfs/dbraw/zinc/96/92/74/1195969274.db2.gz XKBNVFNKFCDQCP-LLVKDONJSA-N 1 1 324.812 3.096 20 5 DGBDMO O=[N+]([O-])c1ccc(C[NH2+]Cc2cnc([C@@H]3CCCO3)s2)cc1 ZINC001656145768 1196010297 /nfs/dbraw/zinc/01/02/97/1196010297.db2.gz CFUDXFGKUVBWTE-AWEZNQCLSA-N 1 1 319.386 3.193 20 5 DGBDMO O=[N+]([O-])c1ccc(CC[N@H+]2CCCC[C@H]2[C@@H]2CCCO2)cc1 ZINC001656506025 1196044891 /nfs/dbraw/zinc/04/48/91/1196044891.db2.gz GGYXDVXLDNHSIA-IRXDYDNUSA-N 1 1 304.390 3.171 20 5 DGBDMO CCOc1cc(C[N@H+]2CCCC[C@]23CCOC3)ccc1[N+](=O)[O-] ZINC001656550081 1196049359 /nfs/dbraw/zinc/04/93/59/1196049359.db2.gz ZNIGEZNGWZAEAK-QGZVFWFLSA-N 1 1 320.389 3.139 20 5 DGBDMO O=[N+]([O-])c1ccc(-c2ccc(CNCC[NH+]3CCCC3)o2)cc1 ZINC001656653345 1196058858 /nfs/dbraw/zinc/05/88/58/1196058858.db2.gz ZLGIDETVRSNJNS-UHFFFAOYSA-N 1 1 315.373 3.040 20 5 DGBDMO CCOc1ccc([N+](=O)[O-])cc1CNc1ccc2[nH]c[nH+]c2c1 ZINC001657341581 1196131822 /nfs/dbraw/zinc/13/18/22/1196131822.db2.gz VMRUQPHLASRKKF-UHFFFAOYSA-N 1 1 312.329 3.482 20 5 DGBDMO Cc1ccc(CN2CC[N@H+](C)CC23CCCCC3)cc1[N+](=O)[O-] ZINC001657445862 1196141861 /nfs/dbraw/zinc/14/18/61/1196141861.db2.gz LGJORBWNRHRQCI-UHFFFAOYSA-N 1 1 317.433 3.354 20 5 DGBDMO COC(=O)c1coc(C[NH2+][C@H](C)c2ccc(C)c([N+](=O)[O-])c2)c1 ZINC001657961643 1196197119 /nfs/dbraw/zinc/19/71/19/1196197119.db2.gz WTMTYXGNUYOTDZ-LLVKDONJSA-N 1 1 318.329 3.134 20 5 DGBDMO CC1(C)CO[C@H](C[N@@H+](Cc2ccc([N+](=O)[O-])cc2)C2CC2)C1 ZINC001658082129 1196210371 /nfs/dbraw/zinc/21/03/71/1196210371.db2.gz KWTNFTCMVYNDLM-INIZCTEOSA-N 1 1 304.390 3.374 20 5 DGBDMO Cc1ccc([N+](=O)[O-])c(C)c1C[N@H+]1CC[C@]2(C1)CCC[NH+](C)C2 ZINC001658192966 1196223210 /nfs/dbraw/zinc/22/32/10/1196223210.db2.gz IATYEFVNZRNPGI-GOSISDBHSA-N 1 1 317.433 3.129 20 5 DGBDMO Cc1ccc([N+](=O)[O-])c(C)c1C[N@@H+]1CC[C@]2(C1)CCC[NH+](C)C2 ZINC001658192966 1196223212 /nfs/dbraw/zinc/22/32/12/1196223212.db2.gz IATYEFVNZRNPGI-GOSISDBHSA-N 1 1 317.433 3.129 20 5 DGBDMO Cc1ccc([N+](=O)[O-])c(C)c1C[N@H+]1CC[C@]2(C1)CCCN(C)C2 ZINC001658192966 1196223215 /nfs/dbraw/zinc/22/32/15/1196223215.db2.gz IATYEFVNZRNPGI-GOSISDBHSA-N 1 1 317.433 3.129 20 5 DGBDMO Cc1ccc([N+](=O)[O-])c(C)c1C[N@@H+]1CC[C@]2(C1)CCCN(C)C2 ZINC001658192966 1196223216 /nfs/dbraw/zinc/22/32/16/1196223216.db2.gz IATYEFVNZRNPGI-GOSISDBHSA-N 1 1 317.433 3.129 20 5 DGBDMO CCC[N@H+](CCc1ccc([N+](=O)[O-])cc1)CCN1CCCCC1 ZINC001658602102 1196278588 /nfs/dbraw/zinc/27/85/88/1196278588.db2.gz NSYQDVAAQLHEPN-UHFFFAOYSA-N 1 1 319.449 3.335 20 5 DGBDMO CCCN(CCc1ccc([N+](=O)[O-])cc1)CC[NH+]1CCCCC1 ZINC001658602102 1196278595 /nfs/dbraw/zinc/27/85/95/1196278595.db2.gz NSYQDVAAQLHEPN-UHFFFAOYSA-N 1 1 319.449 3.335 20 5 DGBDMO C[N@@H+](CCC(C)(C)C)[C@@H]1CCN(c2cccc([N+](=O)[O-])c2)C1=O ZINC001659154795 1196353281 /nfs/dbraw/zinc/35/32/81/1196353281.db2.gz DOLXEDVMSNPMQD-OAHLLOKOSA-N 1 1 319.405 3.068 20 5 DGBDMO O=[N+]([O-])c1cc(C[N@@H+]2CC[C@H](Oc3ccc(F)cc3)C2)cs1 ZINC001660045427 1196439989 /nfs/dbraw/zinc/43/99/89/1196439989.db2.gz DFODYMJTTQZECV-AWEZNQCLSA-N 1 1 322.361 3.449 20 5 DGBDMO O=[N+]([O-])c1cc(C[N@H+]2CC[C@H](Oc3ccc(F)cc3)C2)cs1 ZINC001660045427 1196439991 /nfs/dbraw/zinc/43/99/91/1196439991.db2.gz DFODYMJTTQZECV-AWEZNQCLSA-N 1 1 322.361 3.449 20 5 DGBDMO COc1ccc([N+](=O)[O-])cc1C[N@H+]1C[C@@H]2C[C@]2(c2ccccc2)C1 ZINC001660127387 1196449118 /nfs/dbraw/zinc/44/91/18/1196449118.db2.gz BNFBAXHQLVPSTH-QFBILLFUSA-N 1 1 324.380 3.377 20 5 DGBDMO C[C@H]1CN(Cc2ccc(F)cc2[N+](=O)[O-])CC[N@H+]1C1CCCC1 ZINC001660165066 1196453377 /nfs/dbraw/zinc/45/33/77/1196453377.db2.gz DWVLQCXLWVXHKM-ZDUSSCGKSA-N 1 1 321.396 3.183 20 5 DGBDMO O=[N+]([O-])c1ccc(C[N@H+]2CCCC[C@]23CCCOC3)cc1F ZINC001660700386 1196513349 /nfs/dbraw/zinc/51/33/49/1196513349.db2.gz HVWMEWVPFNEKDB-MRXNPFEDSA-N 1 1 308.353 3.269 20 5 DGBDMO CC(C)[N@@H+](C)CCNCc1ccc(-c2cccc([N+](=O)[O-])c2)o1 ZINC001661237155 1196586803 /nfs/dbraw/zinc/58/68/03/1196586803.db2.gz NUSASKUERAGIQX-UHFFFAOYSA-N 1 1 317.389 3.285 20 5 DGBDMO CC(C)N(C)CC[NH2+]Cc1ccc(-c2cccc([N+](=O)[O-])c2)o1 ZINC001661237155 1196586805 /nfs/dbraw/zinc/58/68/05/1196586805.db2.gz NUSASKUERAGIQX-UHFFFAOYSA-N 1 1 317.389 3.285 20 5 DGBDMO CC(C)c1ccc(CNCC[N@H+]2CCC[C@@H]2C)cc1[N+](=O)[O-] ZINC001661615953 1196624490 /nfs/dbraw/zinc/62/44/90/1196624490.db2.gz ICPAIIODTWFIMG-AWEZNQCLSA-N 1 1 305.422 3.292 20 5 DGBDMO CC(C)c1ccc(C[NH2+]CCN2CCC[C@@H]2C)cc1[N+](=O)[O-] ZINC001661615953 1196624493 /nfs/dbraw/zinc/62/44/93/1196624493.db2.gz ICPAIIODTWFIMG-AWEZNQCLSA-N 1 1 305.422 3.292 20 5 DGBDMO C[C@H]1C[N@@H+](C)[C@@H](C)CN1c1ccc2ccc3cccnc3c2n1 ZINC001164639299 719173691 /nfs/dbraw/zinc/17/36/91/719173691.db2.gz RMAVXRKXBGVJJI-KBPBESRZSA-N 1 1 306.413 3.312 20 5 DGBDMO COC[C@H]1CCCC[N@H+]1[C@@H](C)Cc1ccc(OC)cc1[N+](=O)[O-] ZINC001170335158 1082348478 /nfs/dbraw/zinc/34/84/78/1082348478.db2.gz LVZJQXAMAKRBRU-DZGCQCFKSA-N 1 1 322.405 3.035 20 5 DGBDMO COc1ccc(C[C@@H](C)[N@H+]2CCC[C@@H](OC)CC2)c([N+](=O)[O-])c1 ZINC001170351005 1082358297 /nfs/dbraw/zinc/35/82/97/1082358297.db2.gz DGDVXFYSKUVXKW-UKRRQHHQSA-N 1 1 322.405 3.035 20 5 DGBDMO C[C@H]1CCCC[N@H+]1CCCNc1ccc(N(C)C)cc1[N+](=O)[O-] ZINC001167751973 1083626767 /nfs/dbraw/zinc/62/67/67/1083626767.db2.gz AEMAJOOBLXSUNL-AWEZNQCLSA-N 1 1 320.437 3.337 20 5 DGBDMO C[NH+](C)/C=C/c1cc(N[C@@H]2C[C@H]2c2ccccc2)ncc1[N+](=O)[O-] ZINC001158840178 1088063077 /nfs/dbraw/zinc/06/30/77/1088063077.db2.gz AHYYXIDEXNGUGD-OFTJQPPSSA-N 1 1 324.384 3.490 20 5 DGBDMO O=[N+]([O-])c1cccc2ccc(N[C@H]3CC[N@H+](C4CCC4)C3)nc21 ZINC001161176720 1089140402 /nfs/dbraw/zinc/14/04/02/1089140402.db2.gz BXOIWEHPIGHCDW-ZDUSSCGKSA-N 1 1 312.373 3.182 20 5 DGBDMO Cc1cc(N[C@]2(C)CCC[N@H+](C)C2)nc2ccc([N+](=O)[O-])cc12 ZINC001162341894 1089683104 /nfs/dbraw/zinc/68/31/04/1089683104.db2.gz QAGABOCPAPGZJO-QGZVFWFLSA-N 1 1 314.389 3.348 20 5 DGBDMO CC(C)[N@H+]1CC[C@@H](Nc2cc([N+](=O)[O-])c3cc[nH]c3n2)[C@H](C)C1 ZINC001163364582 1090165769 /nfs/dbraw/zinc/16/57/69/1090165769.db2.gz DRMGWNZMFIAAPU-DGCLKSJQSA-N 1 1 317.393 3.002 20 5 DGBDMO COc1c([N+](=O)[O-])cc(Cl)c(C)c1NCCn1cc[nH+]c1C ZINC001163928798 1090289139 /nfs/dbraw/zinc/28/91/39/1090289139.db2.gz MHTVLLMRHQBTHW-UHFFFAOYSA-N 1 1 324.768 3.182 20 5 DGBDMO Cc1[nH+]ccn1CCNc1cc(OC(C)C)c([N+](=O)[O-])cc1C ZINC001163932767 1090290430 /nfs/dbraw/zinc/29/04/30/1090290430.db2.gz CCZUUNJRDVNBOL-UHFFFAOYSA-N 1 1 318.377 3.307 20 5 DGBDMO COc1cc(C)c([N+](=O)[O-])cc1NCC[C@@H]1CCC[N@@H+](C)C1 ZINC001165277817 1090494907 /nfs/dbraw/zinc/49/49/07/1090494907.db2.gz AINHSBOIUNZQPU-ZDUSSCGKSA-N 1 1 307.394 3.056 20 5 DGBDMO Nc1cc2nc3ccccc3nc2cc1Nc1ccc[nH+]c1N ZINC001212400317 1090622716 /nfs/dbraw/zinc/62/27/16/1090622716.db2.gz YASYCPYSZZDKTC-UHFFFAOYSA-N 1 1 302.341 3.086 20 5 DGBDMO O=[N+]([O-])c1ccc2c(c1)C[N@@H+](CCSc1ccncc1)CC2 ZINC001119760303 1091616982 /nfs/dbraw/zinc/61/69/82/1091616982.db2.gz XCQRLSHBSOJIHN-UHFFFAOYSA-N 1 1 315.398 3.140 20 5 DGBDMO O=[N+]([O-])c1ccc2c(c1)C[N@H+](CCSc1ccncc1)CC2 ZINC001119760303 1091616987 /nfs/dbraw/zinc/61/69/87/1091616987.db2.gz XCQRLSHBSOJIHN-UHFFFAOYSA-N 1 1 315.398 3.140 20 5 DGBDMO CC[N@@H+](CCc1ccc(OC)cc1)[C@@H]1CC[C@H](C[N+](=O)[O-])C1 ZINC001169046898 1092506982 /nfs/dbraw/zinc/50/69/82/1092506982.db2.gz OGAZVSKKDIDTAD-JKSUJKDBSA-N 1 1 306.406 3.005 20 5 DGBDMO COc1cc(Nc2cc([N+](=O)[O-])cc([N+](=O)[O-])c2C)[nH+]cc1C ZINC001211291491 1093447140 /nfs/dbraw/zinc/44/71/40/1093447140.db2.gz FVWZRDCCRAKBNJ-UHFFFAOYSA-N 1 1 318.289 3.267 20 5 DGBDMO Cc1cc(N2CCC(c3c[nH+]cn3C)CC2)c([N+](=O)[O-])s1 ZINC001336897391 1094775881 /nfs/dbraw/zinc/77/58/81/1094775881.db2.gz HMTFXEXWMWNFLB-UHFFFAOYSA-N 1 1 306.391 3.082 20 5 DGBDMO O=[N+]([O-])c1ccc(OCC[N@H+]2CC[C@H]3CCCC[C@H]3C2)cc1 ZINC001115907967 1095417031 /nfs/dbraw/zinc/41/70/31/1095417031.db2.gz RPOALCSEDBEYJU-CABCVRRESA-N 1 1 304.390 3.486 20 5 DGBDMO O=[N+]([O-])c1ccc2c(c1)C[N@@H+](C[C@H]1CC1(Cl)Cl)CC2 ZINC001116245896 1095492815 /nfs/dbraw/zinc/49/28/15/1095492815.db2.gz NHLGPJSSPNUQGF-LLVKDONJSA-N 1 1 301.173 3.147 20 5 DGBDMO O=[N+]([O-])c1ccc2c(c1)C[N@H+](C[C@H]1CC1(Cl)Cl)CC2 ZINC001116245896 1095492822 /nfs/dbraw/zinc/49/28/22/1095492822.db2.gz NHLGPJSSPNUQGF-LLVKDONJSA-N 1 1 301.173 3.147 20 5 DGBDMO CCC(=O)c1ccc(N2CC[NH+](C(C)(C)C)CC2)c([N+](=O)[O-])c1 ZINC001116890512 1095692372 /nfs/dbraw/zinc/69/23/72/1095692372.db2.gz DPRLDSKHQUDRRD-UHFFFAOYSA-N 1 1 319.405 3.108 20 5 DGBDMO C[C@@H](O[C@H]1[C@@H]2CCC[C@H]1C[N@H+](C)C2)c1cccc([N+](=O)[O-])c1 ZINC001223427113 1095967026 /nfs/dbraw/zinc/96/70/26/1095967026.db2.gz GVIOVDCWGLRWSY-UTXMOHQDSA-N 1 1 304.390 3.403 20 5 DGBDMO O=[N+]([O-])c1cc(F)ccc1O[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC001225905176 1096560184 /nfs/dbraw/zinc/56/01/84/1096560184.db2.gz OCKDLDIYAXTLLT-OAHLLOKOSA-N 1 1 316.332 3.387 20 5 DGBDMO CC[N@H+]1CC[C@@H](Oc2cc([N+](=O)[O-])c(Cl)cc2Cl)C1 ZINC001226203215 1096636481 /nfs/dbraw/zinc/63/64/81/1096636481.db2.gz FSXDWVTXFBJBRL-MRVPVSSYSA-N 1 1 305.161 3.375 20 5 DGBDMO CC(C)[N@H+]1CC[C@H](Oc2ccc([N+](=O)[O-])cc2C(F)(F)F)C1 ZINC001226311770 1096659449 /nfs/dbraw/zinc/65/94/49/1096659449.db2.gz WEEWKOLILBHDIK-NSHDSACASA-N 1 1 318.295 3.475 20 5 DGBDMO CC(C)[N@@H+]1[C@@H]2CC[C@H]1C[C@@H](Oc1c(O)cccc1[N+](=O)[O-])C2 ZINC001226334483 1096663854 /nfs/dbraw/zinc/66/38/54/1096663854.db2.gz VOTILNBLVSPFCU-ITGUQSILSA-N 1 1 306.362 3.083 20 5 DGBDMO CC(C)[N@H+]1CCC[C@@H](Oc2c(F)cc([N+](=O)[O-])cc2F)C1 ZINC001226747772 1096766967 /nfs/dbraw/zinc/76/69/67/1096766967.db2.gz DPMAIKQGROWEEE-LLVKDONJSA-N 1 1 300.305 3.125 20 5 DGBDMO CC(C)[N@H+]1CC[C@H](Oc2ccc(C(F)(F)F)c([N+](=O)[O-])c2)C1 ZINC001226965422 1096830600 /nfs/dbraw/zinc/83/06/00/1096830600.db2.gz YUSVFIGCTPDRBZ-NSHDSACASA-N 1 1 318.295 3.475 20 5 DGBDMO CC[N@H+]1CCC[C@@H](Oc2ccc(C(F)(F)F)c([N+](=O)[O-])c2)C1 ZINC001226968314 1096831354 /nfs/dbraw/zinc/83/13/54/1096831354.db2.gz GIDPGTYSKDIKQW-LLVKDONJSA-N 1 1 318.295 3.477 20 5 DGBDMO C[C@H](c1ccccc1[N+](=O)[O-])N1CC[N@@H+](C)[C@H](C(C)(C)C)C1 ZINC001171653645 1096939969 /nfs/dbraw/zinc/93/99/69/1096939969.db2.gz LVFNRDYQATUXMD-CJNGLKHVSA-N 1 1 305.422 3.318 20 5 DGBDMO C[C@H](c1ccccc1[N+](=O)[O-])[N@@H+]1CCN(C)[C@H](C(C)(C)C)C1 ZINC001171653645 1096939973 /nfs/dbraw/zinc/93/99/73/1096939973.db2.gz LVFNRDYQATUXMD-CJNGLKHVSA-N 1 1 305.422 3.318 20 5 DGBDMO CC(=O)c1cc(C)cc([N+](=O)[O-])c1O[C@@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC001228451695 1097123666 /nfs/dbraw/zinc/12/36/66/1097123666.db2.gz BVRKRHSUDNLFDJ-BTTYYORXSA-N 1 1 318.373 3.110 20 5 DGBDMO CC(C)[N@H+]1CC[C@H](Oc2c([N+](=O)[O-])cccc2C(F)(F)F)C1 ZINC001228929974 1097219482 /nfs/dbraw/zinc/21/94/82/1097219482.db2.gz ILBPLZUYJDUANE-JTQLQIEISA-N 1 1 318.295 3.475 20 5 DGBDMO CC(C)[N@H+]1CCC[C@H](Oc2nccc3ccc([N+](=O)[O-])cc32)C1 ZINC001229009969 1097236346 /nfs/dbraw/zinc/23/63/46/1097236346.db2.gz XZGPYPDGSGCBQX-HNNXBMFYSA-N 1 1 315.373 3.395 20 5 DGBDMO O=C1C[C@H]2CC[C@@H](C1)[N@@H+]2[C@@H]1CCc2ccc([N+](=O)[O-])cc2CC1 ZINC001172903412 1097269280 /nfs/dbraw/zinc/26/92/80/1097269280.db2.gz HGLNKVUNRRWONW-OAGGEKHMSA-N 1 1 314.385 3.038 20 5 DGBDMO CCC(=O)c1cc([N+](=O)[O-])ccc1O[C@@H]1CCC[N@@H+](C)CC1 ZINC001229178554 1097272056 /nfs/dbraw/zinc/27/20/56/1097272056.db2.gz YBMUGWWEINGJTQ-CYBMUJFWSA-N 1 1 306.362 3.051 20 5 DGBDMO C[N@@H+](C[C@H]1CCCCO1)[C@@H]1CCc2ccc([N+](=O)[O-])cc2CC1 ZINC001172914143 1097279422 /nfs/dbraw/zinc/27/94/22/1097279422.db2.gz CZGYDBZMOKUIHY-SJLPKXTDSA-N 1 1 318.417 3.343 20 5 DGBDMO CC(=O)[C@@H]1CCCC[N@H+]1[C@@H]1CCc2ccc([N+](=O)[O-])cc2CC1 ZINC001172919694 1097280755 /nfs/dbraw/zinc/28/07/55/1097280755.db2.gz HGASYRHFVVPJFW-AEFFLSMTSA-N 1 1 316.401 3.286 20 5 DGBDMO COc1ccc([N+](=O)[O-])c(C[C@H](C)[N@H+]2CCC(C)(C)C2)c1F ZINC001173190967 1097358064 /nfs/dbraw/zinc/35/80/64/1097358064.db2.gz YNTRMIHOAAQLMW-NSHDSACASA-N 1 1 310.369 3.405 20 5 DGBDMO C[C@@H](Cc1ccc([N+](=O)[O-])cc1)[N@H+]1CCC[C@]2(CCOC2)C1 ZINC001173220761 1097371954 /nfs/dbraw/zinc/37/19/54/1097371954.db2.gz CDDZAIVSXSZKMZ-YOEHRIQHSA-N 1 1 304.390 3.028 20 5 DGBDMO C[C@H](Cc1ccc([N+](=O)[O-])cc1)[N@H+]1CC[C@@]2(C1)CCCCO2 ZINC001173221682 1097372172 /nfs/dbraw/zinc/37/21/72/1097372172.db2.gz LGYRWFYXXRPWFI-RHSMWYFYSA-N 1 1 304.390 3.171 20 5 DGBDMO C[C@H](Cc1ccc([N+](=O)[O-])cc1)[N@H+]1CCC(=O)[C@H]2CCCC[C@H]21 ZINC001173225498 1097375316 /nfs/dbraw/zinc/37/53/16/1097375316.db2.gz KDLZRYLCHMEJAV-XOKHGSTOSA-N 1 1 316.401 3.359 20 5 DGBDMO CCC[N@@H+]([C@H](C)Cc1ccc([N+](=O)[O-])cc1)C1CCOCC1 ZINC001173233837 1097378612 /nfs/dbraw/zinc/37/86/12/1097378612.db2.gz ZOPXPYBAUKNYBF-CQSZACIVSA-N 1 1 306.406 3.417 20 5 DGBDMO CC(C)[N@@H+]([C@H](C)Cc1ccc([N+](=O)[O-])cc1)C1CCOCC1 ZINC001173238393 1097393961 /nfs/dbraw/zinc/39/39/61/1097393961.db2.gz RDIBEKKGKFRCFL-CQSZACIVSA-N 1 1 306.406 3.415 20 5 DGBDMO Cc1cc(OC2CC[NH+](CCF)CC2)c([N+](=O)[O-])cc1Cl ZINC001229976273 1097421834 /nfs/dbraw/zinc/42/18/34/1097421834.db2.gz WGHOWSFHNYPXMA-UHFFFAOYSA-N 1 1 316.760 3.369 20 5 DGBDMO CC[N@H+]1CC[C@@H](Oc2ccc([N+](=O)[O-])c(Cl)c2Cl)C1 ZINC001230041747 1097435094 /nfs/dbraw/zinc/43/50/94/1097435094.db2.gz RNWBTDLVYJRJNG-MRVPVSSYSA-N 1 1 305.161 3.375 20 5 DGBDMO C[N@@H+]1CCC[C@H](Oc2ccc([N+](=O)[O-])c(Cl)c2Cl)C1 ZINC001230042541 1097435438 /nfs/dbraw/zinc/43/54/38/1097435438.db2.gz WTLCPHRTMTZDKI-QMMMGPOBSA-N 1 1 305.161 3.375 20 5 DGBDMO C[N@H+]1CCC[C@H](Oc2ccc([N+](=O)[O-])c(Cl)c2Cl)C1 ZINC001230042541 1097435441 /nfs/dbraw/zinc/43/54/41/1097435441.db2.gz WTLCPHRTMTZDKI-QMMMGPOBSA-N 1 1 305.161 3.375 20 5 DGBDMO CC(C)[N@H+]1CC[C@H](Oc2cnc3c(cccc3[N+](=O)[O-])c2)C1 ZINC001231156050 1097684351 /nfs/dbraw/zinc/68/43/51/1097684351.db2.gz GRZVERRHRWUGSC-ZDUSSCGKSA-N 1 1 301.346 3.005 20 5 DGBDMO C[C@H](C[N+](C)(C)C)Oc1ccccc1C(=O)c1ccccc1O ZINC001231210593 1097695548 /nfs/dbraw/zinc/69/55/48/1097695548.db2.gz TYKSLZKJSREVPH-CQSZACIVSA-O 1 1 314.405 3.097 20 5 DGBDMO COC[C@@H]1CC[N@@H+](Cc2ccc3ccc4cccnc4c3n2)C1 ZINC001232218275 1097970682 /nfs/dbraw/zinc/97/06/82/1097970682.db2.gz FJDHMONRGATFQT-CQSZACIVSA-N 1 1 307.397 3.251 20 5 DGBDMO C[C@@H]1C[N@@H+](Cc2ccc3ccc4cccnc4c3n2)CCCO1 ZINC001232219118 1097971685 /nfs/dbraw/zinc/97/16/85/1097971685.db2.gz RSHGCDHBKRJNKF-CQSZACIVSA-N 1 1 307.397 3.394 20 5 DGBDMO C[C@H]1C[N@@H+](Cc2ccc3ccc4cccnc4c3n2)CC[C@@]1(C)O ZINC001232218842 1097972178 /nfs/dbraw/zinc/97/21/78/1097972178.db2.gz MJBVIOMKKTYFJW-VBKZILBWSA-N 1 1 321.424 3.376 20 5 DGBDMO c1cnc2c(c1)ccc1ccc(C[N@H+]3CC[C@@H]4OCC[C@@H]4C3)nc12 ZINC001232225029 1097973147 /nfs/dbraw/zinc/97/31/47/1097973147.db2.gz MDZFWXPVXRREIG-AEFFLSMTSA-N 1 1 319.408 3.394 20 5 DGBDMO C[N@H+]1CCN(Cc2ccc3ccc4cccnc4c3n2)CC1(C)C ZINC001232221639 1097973619 /nfs/dbraw/zinc/97/36/19/1097973619.db2.gz CDMQDUSSVKMEOA-UHFFFAOYSA-N 1 1 320.440 3.309 20 5 DGBDMO CN1CC[N@H+](Cc2ccc3ccc4cccnc4c3n2)CC1(C)C ZINC001232221639 1097973624 /nfs/dbraw/zinc/97/36/24/1097973624.db2.gz CDMQDUSSVKMEOA-UHFFFAOYSA-N 1 1 320.440 3.309 20 5 DGBDMO CN1CC[N@@H+](Cc2ccc3ccc4cccnc4c3n2)CC1(C)C ZINC001232221639 1097973629 /nfs/dbraw/zinc/97/36/29/1097973629.db2.gz CDMQDUSSVKMEOA-UHFFFAOYSA-N 1 1 320.440 3.309 20 5 DGBDMO CC(C)[N@H+]1CCC[C@@H](Oc2cc(F)c([N+](=O)[O-])c(F)c2)C1 ZINC001233754026 1098421904 /nfs/dbraw/zinc/42/19/04/1098421904.db2.gz QIDFPBJIWRFPDI-SNVBAGLBSA-N 1 1 300.305 3.125 20 5 DGBDMO C[N@H+]1CCC[C@@H](Oc2cc(N3CCCCC3)ccc2[N+](=O)[O-])C1 ZINC001234363818 1098542737 /nfs/dbraw/zinc/54/27/37/1098542737.db2.gz NIVLUETYCWKYHT-OAHLLOKOSA-N 1 1 319.405 3.058 20 5 DGBDMO C[N@H+]1CCC[C@H](Oc2cc(N3CCCCC3)ccc2[N+](=O)[O-])C1 ZINC001234363817 1098543003 /nfs/dbraw/zinc/54/30/03/1098543003.db2.gz NIVLUETYCWKYHT-HNNXBMFYSA-N 1 1 319.405 3.058 20 5 DGBDMO CC[N@H+]1CC[C@H](Oc2cc(N3CCCCC3)ccc2[N+](=O)[O-])C1 ZINC001234364618 1098543348 /nfs/dbraw/zinc/54/33/48/1098543348.db2.gz UZZNAMAMVRWRHM-HNNXBMFYSA-N 1 1 319.405 3.058 20 5 DGBDMO CCCn1cc(C[NH2+][C@@H](C)c2ccccc2[N+](=O)[O-])c(C)n1 ZINC001179506723 1099126888 /nfs/dbraw/zinc/12/68/88/1099126888.db2.gz IBZDGTZQYZSYAU-ZDUSSCGKSA-N 1 1 302.378 3.361 20 5 DGBDMO C[C@H]([NH2+]Cc1cc2c(cc[nH]c2=O)o1)c1ccc([N+](=O)[O-])cc1 ZINC001179579880 1099150618 /nfs/dbraw/zinc/15/06/18/1099150618.db2.gz WVGCWWLZOSZFBA-JTQLQIEISA-N 1 1 313.313 3.292 20 5 DGBDMO Cc1ccc([N+](=O)[O-])c(C)c1CNCC[N@@H+]1CCC(C)(C)C1 ZINC001179768044 1099189494 /nfs/dbraw/zinc/18/94/94/1099189494.db2.gz JOHUJVDWHKTREC-UHFFFAOYSA-N 1 1 305.422 3.033 20 5 DGBDMO Cc1ccc([N+](=O)[O-])c(C)c1CNCC[N@H+]1CCC(C)(C)C1 ZINC001179768044 1099189497 /nfs/dbraw/zinc/18/94/97/1099189497.db2.gz JOHUJVDWHKTREC-UHFFFAOYSA-N 1 1 305.422 3.033 20 5 DGBDMO N[C@H]1C[N@@H+](Cc2c3ccccc3cc3ccccc32)CC12COC2 ZINC001237177006 1100016024 /nfs/dbraw/zinc/01/60/24/1100016024.db2.gz VVWKTZVPFHQDOJ-FQEVSTJZSA-N 1 1 318.420 3.153 20 5 DGBDMO [NH3+][C@H]1CN(Cc2c3ccccc3cc3ccccc32)CC12COC2 ZINC001237177006 1100016030 /nfs/dbraw/zinc/01/60/30/1100016030.db2.gz VVWKTZVPFHQDOJ-FQEVSTJZSA-N 1 1 318.420 3.153 20 5 DGBDMO CC[C@H]1CC[N@@H+](Cc2nnc(-c3ccccc3[N+](=O)[O-])o2)[C@H]1C ZINC001193603318 1100781559 /nfs/dbraw/zinc/78/15/59/1100781559.db2.gz BLSADXQOHXDQMW-RYUDHWBXSA-N 1 1 316.361 3.265 20 5 DGBDMO O=[N+]([O-])c1cccc(OCC[N@H+]2CCSC[C@H]2C2CCC2)c1 ZINC001195316015 1101121673 /nfs/dbraw/zinc/12/16/73/1101121673.db2.gz WNOWGCJPYYCISL-INIZCTEOSA-N 1 1 322.430 3.191 20 5 DGBDMO NC(=O)[C@@H]1CCC[N@H+]1Cc1c2ccccc2cc2ccccc21 ZINC000160338588 1101573019 /nfs/dbraw/zinc/57/30/19/1101573019.db2.gz RHCYDRLFILAYCO-IBGZPJMESA-N 1 1 304.393 3.443 20 5 DGBDMO CC[C@H](CSc1ccccc1[N+](=O)[O-])NCC[C@H](C)[NH2+]C ZINC001326034837 1103188721 /nfs/dbraw/zinc/18/87/21/1103188721.db2.gz APCFVEHMRUAEQQ-QWHCGFSZSA-N 1 1 311.451 3.053 20 5 DGBDMO C[N@@H+]([C@H]1CCCC[C@H]1N)[C@@H]1CCc2ccc([N+](=O)[O-])cc2CC1 ZINC001246921835 1104738008 /nfs/dbraw/zinc/73/80/08/1104738008.db2.gz SLZOSYOCIVVHAZ-NXHRZFHOSA-N 1 1 317.433 3.044 20 5 DGBDMO [NH3+][C@@H](CCO)c1nc(-c2cc3ccccc3c3ccccc23)no1 ZINC001247971157 1105025091 /nfs/dbraw/zinc/02/50/91/1105025091.db2.gz LQDXPRHXOBKPGQ-KRWDZBQOSA-N 1 1 319.364 3.425 20 5 DGBDMO C[NH+](C)Cc1ccc2nc(Cc3cccc([N+](=O)[O-])c3)[nH]c2c1 ZINC001250594821 1105544259 /nfs/dbraw/zinc/54/42/59/1105544259.db2.gz WSAOHQIWJNANMA-UHFFFAOYSA-N 1 1 310.357 3.124 20 5 DGBDMO C[C@]1(F)CCC[N@H+](C2CCN(c3ccc([N+](=O)[O-])cc3)CC2)C1 ZINC001254474701 1106078328 /nfs/dbraw/zinc/07/83/28/1106078328.db2.gz TZJWBWBHGUDUBL-KRWDZBQOSA-N 1 1 321.396 3.388 20 5 DGBDMO C[N@@H+](CCC1CC1)C1CCN(c2ccc([N+](=O)[O-])cc2)CC1 ZINC001254480874 1106079153 /nfs/dbraw/zinc/07/91/53/1106079153.db2.gz NPUOYWZXCPASJG-UHFFFAOYSA-N 1 1 303.406 3.296 20 5 DGBDMO CC[N@H+](CCN1CCCCC1)[C@@H](C)Cc1ccccc1[N+](=O)[O-] ZINC001254559574 1106103151 /nfs/dbraw/zinc/10/31/51/1106103151.db2.gz LAQFGAMGRRYWCP-INIZCTEOSA-N 1 1 319.449 3.334 20 5 DGBDMO CC[N@@H+](CCN1CCCCC1)[C@@H](C)Cc1ccccc1[N+](=O)[O-] ZINC001254559574 1106103156 /nfs/dbraw/zinc/10/31/56/1106103156.db2.gz LAQFGAMGRRYWCP-INIZCTEOSA-N 1 1 319.449 3.334 20 5 DGBDMO C[C@@H](Cc1ccccc1[N+](=O)[O-])[N@H+]1CC[C@@H](c2ccccn2)C1 ZINC001254562361 1106104394 /nfs/dbraw/zinc/10/43/94/1106104394.db2.gz KXCDXWXAWKVNBR-GOEBONIOSA-N 1 1 311.385 3.410 20 5 DGBDMO O=[N+]([O-])c1ccc2c(c1)C[C@@H]([N@@H+]1CCCC(F)(F)[C@@H](F)C1)C2 ZINC001254593369 1106110025 /nfs/dbraw/zinc/11/00/25/1106110025.db2.gz LQAOEBVHNVEPDC-KBPBESRZSA-N 1 1 314.307 3.131 20 5 DGBDMO O=[N+]([O-])c1ccc2c(c1)C[C@@H]([N@H+]1CCCC(F)(F)[C@@H](F)C1)C2 ZINC001254593369 1106110027 /nfs/dbraw/zinc/11/00/27/1106110027.db2.gz LQAOEBVHNVEPDC-KBPBESRZSA-N 1 1 314.307 3.131 20 5 DGBDMO COc1ccc(C[N@@H+](C)[C@H]2Cc3ccc([N+](=O)[O-])cc3C2)cc1 ZINC001254593974 1106110079 /nfs/dbraw/zinc/11/00/79/1106110079.db2.gz OLUKAMBWNNJHMR-KRWDZBQOSA-N 1 1 312.369 3.203 20 5 DGBDMO O=[N+]([O-])c1ccc2c(c1)C[C@H]([N@H+]1CCC[C@H]1Cc1ccccn1)C2 ZINC001254597970 1106110939 /nfs/dbraw/zinc/11/09/39/1106110939.db2.gz FMJQAHUIANFBOL-PKOBYXMFSA-N 1 1 323.396 3.164 20 5 DGBDMO C[N@@H+](CCc1cccs1)[C@H]1Cc2ccc([N+](=O)[O-])cc2C1 ZINC001254599932 1106110975 /nfs/dbraw/zinc/11/09/75/1106110975.db2.gz MZJZHHYYVCIMKJ-HNNXBMFYSA-N 1 1 302.399 3.298 20 5 DGBDMO O=[N+]([O-])c1ccc2c(c1)C[C@@H]([N@@H+]1Cc3cnc(Cl)cc3C1)C2 ZINC001254608678 1106112277 /nfs/dbraw/zinc/11/22/77/1106112277.db2.gz ASNXNOSJVOWBAR-HNNXBMFYSA-N 1 1 315.760 3.126 20 5 DGBDMO O=[N+]([O-])c1ccc2c(c1)C[C@@H]([N@H+]1Cc3cnc(Cl)cc3C1)C2 ZINC001254608678 1106112283 /nfs/dbraw/zinc/11/22/83/1106112283.db2.gz ASNXNOSJVOWBAR-HNNXBMFYSA-N 1 1 315.760 3.126 20 5 DGBDMO Cc1ccc2c(c1)CC[N@@H+]([C@@H]1Cc3ccc([N+](=O)[O-])cc3C1)C2 ZINC001254610128 1106112626 /nfs/dbraw/zinc/11/26/26/1106112626.db2.gz IGUQCZRKSOLHJS-LJQANCHMSA-N 1 1 308.381 3.429 20 5 DGBDMO O=[N+]([O-])c1ccc2c(c1)C[N@@H+](CCOCc1ccccc1)CC2 ZINC001261637853 1107488755 /nfs/dbraw/zinc/48/87/55/1107488755.db2.gz HZLQRJOIROVIHP-UHFFFAOYSA-N 1 1 312.369 3.170 20 5 DGBDMO O=[N+]([O-])c1ccc2c(c1)C[N@H+](CCOCc1ccccc1)CC2 ZINC001261637853 1107488760 /nfs/dbraw/zinc/48/87/60/1107488760.db2.gz HZLQRJOIROVIHP-UHFFFAOYSA-N 1 1 312.369 3.170 20 5 DGBDMO O=[N+]([O-])c1cnc(N[C@@H]2CC[N@H+]3CCC[C@@H]3C2)c2ccccc21 ZINC001262058086 1107599304 /nfs/dbraw/zinc/59/93/04/1107599304.db2.gz NHMLXXBAKGNYTA-CHWSQXEVSA-N 1 1 312.373 3.182 20 5 DGBDMO CC1(C)C[N@@H+](CCC(=O)Nc2ccc([N+](=O)[O-])cc2)C1(C)C ZINC001322835856 1107763633 /nfs/dbraw/zinc/76/36/33/1107763633.db2.gz NDSUQIDYFAEARN-UHFFFAOYSA-N 1 1 305.378 3.044 20 5 DGBDMO CS[C@@H]1CC[C@@H]([N@@H+](C)Cn2ncc3ccc([N+](=O)[O-])cc32)C1 ZINC001318763987 1108187816 /nfs/dbraw/zinc/18/78/16/1108187816.db2.gz DNMKRKNOLNRFGN-TZMCWYRMSA-N 1 1 320.418 3.118 20 5 DGBDMO O=[N+]([O-])c1ccc2c(cnn2C[N@H+]2CC[C@H]3CCCC[C@H]3C2)c1 ZINC001324990903 1108551927 /nfs/dbraw/zinc/55/19/27/1108551927.db2.gz UOCHCYBKHQWYFL-KGLIPLIRSA-N 1 1 314.389 3.414 20 5 DGBDMO CC[C@@]1(C)CCC[N@H+]([C@H](C)C(=O)Nc2ccc([N+](=O)[O-])cc2)C1 ZINC001307493085 1111305177 /nfs/dbraw/zinc/30/51/77/1111305177.db2.gz HBJNDKAQKJUVSU-DYVFJYSZSA-N 1 1 319.405 3.434 20 5 DGBDMO O=[N+]([O-])c1cc(C[NH2+][C@@H](CO)c2cccc(F)c2)ccc1Cl ZINC001307604665 1111319763 /nfs/dbraw/zinc/31/97/63/1111319763.db2.gz AFSMZEXDMINPFZ-AWEZNQCLSA-N 1 1 324.739 3.211 20 5 DGBDMO COC(=O)[C@@]1(C)C[N@H+]([C@@H](C)c2cc([N+](=O)[O-])ccc2C)C[C@@H]1C ZINC001307996370 1111364850 /nfs/dbraw/zinc/36/48/50/1111364850.db2.gz NLLDXPMIVJEJTI-DCGLDWPTSA-N 1 1 320.389 3.095 20 5 DGBDMO Cc1c(CNC[C@@H](C)[NH+]2CCC(C)CC2)cccc1[N+](=O)[O-] ZINC001308232404 1111402027 /nfs/dbraw/zinc/40/20/27/1111402027.db2.gz RVCFNMXEPIRBGV-CQSZACIVSA-N 1 1 305.422 3.113 20 5 DGBDMO CC[N@@H+](C)[C@@H]1CCN(C/C(C)=C\c2cccc([N+](=O)[O-])c2)C1 ZINC001308986801 1111506440 /nfs/dbraw/zinc/50/64/40/1111506440.db2.gz IHHPXRUBUYHZBB-OOXMNIKJSA-N 1 1 303.406 3.024 20 5 DGBDMO CCn1nccc1C1CC[NH+](Cc2csc([N+](=O)[O-])c2)CC1 ZINC000278741772 214369009 /nfs/dbraw/zinc/36/90/09/214369009.db2.gz AAGPIHQOYNELFO-UHFFFAOYSA-N 1 1 320.418 3.252 20 5 DGBDMO Cc1c(C[NH2+]Cc2nc3ccccc3n2C)cccc1[N+](=O)[O-] ZINC000323244151 231216404 /nfs/dbraw/zinc/21/64/04/231216404.db2.gz DXCQMUPVWSHHDY-UHFFFAOYSA-N 1 1 310.357 3.080 20 5 DGBDMO C[C@@H](C(=O)Nc1ccccc1[N+](=O)[O-])[N@H+]1CCC[C@@H](C)CC1 ZINC000063309145 432005184 /nfs/dbraw/zinc/00/51/84/432005184.db2.gz YHUJUZXJOAEXMY-OLZOCXBDSA-N 1 1 305.378 3.044 20 5 DGBDMO C[N@@H+](CCn1ccc([N+](=O)[O-])n1)[C@@H]1CCC[C@H]1c1ccccc1 ZINC000297408700 529939744 /nfs/dbraw/zinc/93/97/44/529939744.db2.gz CRKOWXBIVJJDCK-JKSUJKDBSA-N 1 1 314.389 3.059 20 5 DGBDMO C[N@@H+](CCn1cc([N+](=O)[O-])cn1)[C@H]1CCC[C@@H]1c1ccccc1 ZINC000297461572 529939831 /nfs/dbraw/zinc/93/98/31/529939831.db2.gz IBDDQBPAROAYMD-SJORKVTESA-N 1 1 314.389 3.059 20 5 DGBDMO CC(C)C[C@@H]1CCC[N@H+]1CC(=O)N(C)c1ccc([N+](=O)[O-])cc1 ZINC000130274681 432019408 /nfs/dbraw/zinc/01/94/08/432019408.db2.gz WHHCELGJPXIZJB-INIZCTEOSA-N 1 1 319.405 3.068 20 5 DGBDMO CC[C@@H](C)[C@@H](C)[N@@H+](Cc1ccc(C(N)=O)cc1[N+](=O)[O-])C1CC1 ZINC000106439756 432021422 /nfs/dbraw/zinc/02/14/22/432021422.db2.gz GFLQSXGAGNKCAW-VXGBXAGGSA-N 1 1 319.405 3.093 20 5 DGBDMO Cc1c([C@@H](C)NC[C@@H]2CC[N@@H+](C3CC3)C2)cccc1[N+](=O)[O-] ZINC000152427767 186071587 /nfs/dbraw/zinc/07/15/87/186071587.db2.gz CRBMGMQMYRQPCZ-KGLIPLIRSA-N 1 1 303.406 3.038 20 5 DGBDMO Cc1c([C@@H](C)NC[C@@H]2CC[N@H+](C3CC3)C2)cccc1[N+](=O)[O-] ZINC000152427767 186071590 /nfs/dbraw/zinc/07/15/90/186071590.db2.gz CRBMGMQMYRQPCZ-KGLIPLIRSA-N 1 1 303.406 3.038 20 5 DGBDMO CC[C@@H](C)C[N@@H+](C)CC(=O)Nc1ccc([N+](=O)[O-])cc1Cl ZINC000171950493 198013146 /nfs/dbraw/zinc/01/31/46/198013146.db2.gz WHUJDDZLDQGOEA-SNVBAGLBSA-N 1 1 313.785 3.165 20 5 DGBDMO Cn1cc([C@H]2CCCC[N@@H+]2Cc2ccccc2[N+](=O)[O-])cn1 ZINC000331926301 234284837 /nfs/dbraw/zinc/28/48/37/234284837.db2.gz PBFNUGNPXKSAFP-OAHLLOKOSA-N 1 1 300.362 3.056 20 5 DGBDMO Cn1cc([C@H]2CCCC[N@H+]2Cc2ccccc2[N+](=O)[O-])cn1 ZINC000331926301 234284840 /nfs/dbraw/zinc/28/48/40/234284840.db2.gz PBFNUGNPXKSAFP-OAHLLOKOSA-N 1 1 300.362 3.056 20 5 DGBDMO Cn1cc([C@H]2CCCC[N@@H+]2Cc2ccc([N+](=O)[O-])cc2)cn1 ZINC000331937876 234299657 /nfs/dbraw/zinc/29/96/57/234299657.db2.gz MKKBUWVEAWNNTO-MRXNPFEDSA-N 1 1 300.362 3.056 20 5 DGBDMO Cn1cc([C@H]2CCCC[N@H+]2Cc2ccc([N+](=O)[O-])cc2)cn1 ZINC000331937876 234299662 /nfs/dbraw/zinc/29/96/62/234299662.db2.gz MKKBUWVEAWNNTO-MRXNPFEDSA-N 1 1 300.362 3.056 20 5 DGBDMO CC(C)Oc1ccc([N+](=O)[O-])cc1C[N@@H+](C)[C@H](CO)C(C)(C)C ZINC000134375222 432076327 /nfs/dbraw/zinc/07/63/27/432076327.db2.gz CRWVKAPODZNVKW-MRXNPFEDSA-N 1 1 324.421 3.221 20 5 DGBDMO CC[C@]1(CO)CCC[N@H+](Cc2cc([N+](=O)[O-])ccc2Cl)C1 ZINC000187552158 200127725 /nfs/dbraw/zinc/12/77/25/200127725.db2.gz MHRNIOAUDDFGJA-HNNXBMFYSA-N 1 1 312.797 3.233 20 5 DGBDMO CC[C@]1(CO)CCC[N@@H+](Cc2cc([N+](=O)[O-])ccc2Cl)C1 ZINC000187552158 200127726 /nfs/dbraw/zinc/12/77/26/200127726.db2.gz MHRNIOAUDDFGJA-HNNXBMFYSA-N 1 1 312.797 3.233 20 5 DGBDMO Cc1c(NC(=O)CC[N@@H+]2CCCC[C@H](C)C2)cccc1[N+](=O)[O-] ZINC000187970892 200184963 /nfs/dbraw/zinc/18/49/63/200184963.db2.gz JWSGAIQGGJDRIG-ZDUSSCGKSA-N 1 1 319.405 3.354 20 5 DGBDMO Cc1c(CN2CC[N@H+](C3CCC3)C[C@@H](C)C2)cccc1[N+](=O)[O-] ZINC000429369351 238049704 /nfs/dbraw/zinc/04/97/04/238049704.db2.gz RSQPFTMMFCWROW-AWEZNQCLSA-N 1 1 317.433 3.209 20 5 DGBDMO COc1cc([N+](=O)[O-])ccc1C[N@H+]1CC[C@H]1Cc1ccccc1 ZINC000430203568 238070782 /nfs/dbraw/zinc/07/07/82/238070782.db2.gz OXQANGLTPIHEFF-INIZCTEOSA-N 1 1 312.369 3.420 20 5 DGBDMO COc1cc([N+](=O)[O-])ccc1C[N@H+]1CCCC[C@H](SC)C1 ZINC000430212295 238071166 /nfs/dbraw/zinc/07/11/66/238071166.db2.gz LUINEYUOIIDFQG-AWEZNQCLSA-N 1 1 310.419 3.321 20 5 DGBDMO Cc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@H+](C)[C@@H]1CC[C@H](C)C1 ZINC000429582108 238056087 /nfs/dbraw/zinc/05/60/87/238056087.db2.gz ZIRYYWWVSXIZHU-GXTWGEPZSA-N 1 1 319.405 3.352 20 5 DGBDMO O=[N+]([O-])c1cc(Cl)cnc1NC[C@@H]1CCCC[N@H+]1C1CC1 ZINC000433788515 238167548 /nfs/dbraw/zinc/16/75/48/238167548.db2.gz GXLDADPTPKXYOV-LBPRGKRZSA-N 1 1 310.785 3.072 20 5 DGBDMO O=[N+]([O-])c1ccccc1/C=C/CNC[C@@H]1CCCC[N@@H+]1C1CC1 ZINC000434797408 238247697 /nfs/dbraw/zinc/24/76/97/238247697.db2.gz YAGDSBMHORBZNZ-UABRLCRWSA-N 1 1 315.417 3.215 20 5 DGBDMO O=[N+]([O-])c1ccccc1/C=C/CNC[C@@H]1CCCC[N@H+]1C1CC1 ZINC000434797408 238247702 /nfs/dbraw/zinc/24/77/02/238247702.db2.gz YAGDSBMHORBZNZ-UABRLCRWSA-N 1 1 315.417 3.215 20 5 DGBDMO Cc1cc(N(C)C2C[C@H]3CC[C@@H](C2)[N@@H+]3C)c(F)cc1[N+](=O)[O-] ZINC000292760733 223233050 /nfs/dbraw/zinc/23/30/50/223233050.db2.gz WDNFWVMOXSBFGD-FUNVUKJBSA-N 1 1 307.369 3.104 20 5 DGBDMO CC[C@@H](NC[C@H]1CC[N@@H+](C2CC2)C1)c1cccc([N+](=O)[O-])c1 ZINC000193507181 201066712 /nfs/dbraw/zinc/06/67/12/201066712.db2.gz HAAIYCMPDPDLNL-CXAGYDPISA-N 1 1 303.406 3.120 20 5 DGBDMO CC[C@@H](NC[C@H]1CC[N@H+](C2CC2)C1)c1cccc([N+](=O)[O-])c1 ZINC000193507181 201066716 /nfs/dbraw/zinc/06/67/16/201066716.db2.gz HAAIYCMPDPDLNL-CXAGYDPISA-N 1 1 303.406 3.120 20 5 DGBDMO CC[C@@H]([NH2+]C[C@H]1CCN(C2CC2)C1)c1cccc([N+](=O)[O-])c1 ZINC000193507181 201066720 /nfs/dbraw/zinc/06/67/20/201066720.db2.gz HAAIYCMPDPDLNL-CXAGYDPISA-N 1 1 303.406 3.120 20 5 DGBDMO CSCCC[N@@H+](C)Cc1coc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000281495096 216341398 /nfs/dbraw/zinc/34/13/98/216341398.db2.gz UBKROHISCLZZPX-UHFFFAOYSA-N 1 1 321.402 3.435 20 5 DGBDMO C[N@@H+](Cc1ccc(-c2cccc([N+](=O)[O-])c2)o1)CC(C)(C)CO ZINC000449415962 240187867 /nfs/dbraw/zinc/18/78/67/240187867.db2.gz QPRJDTGRXAKLSE-UHFFFAOYSA-N 1 1 318.373 3.305 20 5 DGBDMO CCO[C@@H]1CC[N@@H+](Cc2ccc([N+](=O)[O-])cc2Cl)C[C@H]1C ZINC000449500213 240248939 /nfs/dbraw/zinc/24/89/39/240248939.db2.gz MQHLDXBXKQMQQW-IAQYHMDHSA-N 1 1 312.797 3.495 20 5 DGBDMO Cc1cnc(C[N@H+]2CCC[C@@H](c3ccc([N+](=O)[O-])cc3)C2)cn1 ZINC000449505315 240252716 /nfs/dbraw/zinc/25/27/16/240252716.db2.gz WVYYORIIHBZWSK-OAHLLOKOSA-N 1 1 312.373 3.073 20 5 DGBDMO COc1ccc(C[N@H+]2CCC[C@]3(CCSC3)C2)cc1[N+](=O)[O-] ZINC000449729312 240383427 /nfs/dbraw/zinc/38/34/27/240383427.db2.gz AJTAVBLDLPXLDX-INIZCTEOSA-N 1 1 322.430 3.323 20 5 DGBDMO CC[C@@H](NC[C@@H](C)C[NH+]1CCCC1)c1cccc([N+](=O)[O-])c1 ZINC000171141311 432106498 /nfs/dbraw/zinc/10/64/98/432106498.db2.gz WMNQGWBTSAMJIQ-RHSMWYFYSA-N 1 1 305.422 3.367 20 5 DGBDMO CC[C@@H]1CCC[N@@H+](Cc2cc(OC)c(OC)cc2[N+](=O)[O-])C1 ZINC000091919372 193127155 /nfs/dbraw/zinc/12/71/55/193127155.db2.gz DKNVOPHFWAUMST-GFCCVEGCSA-N 1 1 308.378 3.234 20 5 DGBDMO C[C@@H](c1ccncc1)[N@@H+](C)CCCOc1ccc([N+](=O)[O-])cc1 ZINC000091986530 193137730 /nfs/dbraw/zinc/13/77/30/193137730.db2.gz OGGVTZDNJBVSFZ-AWEZNQCLSA-N 1 1 315.373 3.452 20 5 DGBDMO CO[C@@H]1CC[N@H+](Cc2c(Cl)cccc2[N+](=O)[O-])CC1(C)C ZINC000451555989 241175713 /nfs/dbraw/zinc/17/57/13/241175713.db2.gz KQHPXAPBSFVTGA-CQSZACIVSA-N 1 1 312.797 3.495 20 5 DGBDMO CO[C@@H]1CC[N@@H+](Cc2c(Cl)cccc2[N+](=O)[O-])CC1(C)C ZINC000451555989 241175722 /nfs/dbraw/zinc/17/57/22/241175722.db2.gz KQHPXAPBSFVTGA-CQSZACIVSA-N 1 1 312.797 3.495 20 5 DGBDMO CC[C@H](c1ccncc1)[N@@H+](C)CCOc1ccc([N+](=O)[O-])cc1 ZINC000092224614 193176836 /nfs/dbraw/zinc/17/68/36/193176836.db2.gz LDFDCUMMSGHJIT-QGZVFWFLSA-N 1 1 315.373 3.452 20 5 DGBDMO C[C@H](NC(=O)[C@H](C)[N@@H+]1[C@H](C)CC[C@@H]1C)c1cccc([N+](=O)[O-])c1 ZINC000171261824 432118204 /nfs/dbraw/zinc/11/82/04/432118204.db2.gz HBDAMDQTGRTRMB-CRWXNKLISA-N 1 1 319.405 3.033 20 5 DGBDMO C/C(=C/c1cccc([N+](=O)[O-])c1)CNCC[NH+]1CCCCCC1 ZINC000468644720 244059448 /nfs/dbraw/zinc/05/94/48/244059448.db2.gz FYHPKRUPBAALTJ-SSZFMOIBSA-N 1 1 317.433 3.464 20 5 DGBDMO COc1cc(C[N@H+]2CC[C@@H](C)[C@@H](C)C2)c([N+](=O)[O-])cc1OC ZINC000093480869 193257072 /nfs/dbraw/zinc/25/70/72/193257072.db2.gz DOKGPQADMHOKFY-NEPJUHHUSA-N 1 1 308.378 3.090 20 5 DGBDMO O=[N+]([O-])c1ccccc1/C=C/C[N@H+]1CC[C@@H]2OCCC[C@@H]2C1 ZINC000093505292 193262063 /nfs/dbraw/zinc/26/20/63/193262063.db2.gz BOLWEYMMRHIGTO-LBGCYQIYSA-N 1 1 302.374 3.109 20 5 DGBDMO CCC[C@H]1CCC[N@H+](CC(=O)Nc2c(C)cccc2[N+](=O)[O-])C1 ZINC000120926252 284182289 /nfs/dbraw/zinc/18/22/89/284182289.db2.gz CIRIVQGKDQJYOC-AWEZNQCLSA-N 1 1 319.405 3.354 20 5 DGBDMO CCC[C@H]1CCC[N@@H+](CC(=O)Nc2c(C)cccc2[N+](=O)[O-])C1 ZINC000120926252 284182290 /nfs/dbraw/zinc/18/22/90/284182290.db2.gz CIRIVQGKDQJYOC-AWEZNQCLSA-N 1 1 319.405 3.354 20 5 DGBDMO CC(C)[C@H](C[NH2+][C@H](C)c1ccc([N+](=O)[O-])cc1)N1CCCC1 ZINC000122147001 284214018 /nfs/dbraw/zinc/21/40/18/284214018.db2.gz RFAIQIICTUQSQE-PBHICJAKSA-N 1 1 305.422 3.366 20 5 DGBDMO Cc1cccc([N+](=O)[O-])c1NC(=O)C[N@H+]1C[C@H](C)CCC[C@@H]1C ZINC000125398452 284275260 /nfs/dbraw/zinc/27/52/60/284275260.db2.gz KOBUKJONWPENAK-OCCSQVGLSA-N 1 1 319.405 3.352 20 5 DGBDMO COC(=O)c1coc([C@H](C)[NH2+][C@@H](C)c2cccc([N+](=O)[O-])c2)c1 ZINC000278168296 214000650 /nfs/dbraw/zinc/00/06/50/214000650.db2.gz CENFCOBHLRKGGQ-QWRGUYRKSA-N 1 1 318.329 3.386 20 5 DGBDMO Cc1c([C@H](C)N[C@H]2CC[N@H+]3CCCC[C@H]23)cccc1[N+](=O)[O-] ZINC000268779161 432132650 /nfs/dbraw/zinc/13/26/50/432132650.db2.gz PFFGSZGFPMNMKF-JLJPHGGASA-N 1 1 303.406 3.181 20 5 DGBDMO Cc1c([C@H](C)[NH2+][C@H]2CCN3CCCC[C@H]23)cccc1[N+](=O)[O-] ZINC000268779161 432132653 /nfs/dbraw/zinc/13/26/53/432132653.db2.gz PFFGSZGFPMNMKF-JLJPHGGASA-N 1 1 303.406 3.181 20 5 DGBDMO Cc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@H+](C)[C@H](C)C1(C)CC1 ZINC000267690111 206221670 /nfs/dbraw/zinc/22/16/70/206221670.db2.gz HQJJWCRZARVTEL-CYBMUJFWSA-N 1 1 319.405 3.352 20 5 DGBDMO CO[C@@]1(C)CCC[N@H+](Cc2c(F)cc([N+](=O)[O-])cc2F)CC1 ZINC000285280832 218364485 /nfs/dbraw/zinc/36/44/85/218364485.db2.gz KJBWQTFBPGVECE-HNNXBMFYSA-N 1 1 314.332 3.264 20 5 DGBDMO CO[C@@]1(C)CCC[N@@H+](Cc2c(F)cc([N+](=O)[O-])cc2F)CC1 ZINC000285280832 218364487 /nfs/dbraw/zinc/36/44/87/218364487.db2.gz KJBWQTFBPGVECE-HNNXBMFYSA-N 1 1 314.332 3.264 20 5 DGBDMO C[N@@H+](CCc1ccccc1[N+](=O)[O-])Cc1ccc(Cl)nc1 ZINC000285348689 218392516 /nfs/dbraw/zinc/39/25/16/218392516.db2.gz PJIHGVVGYRLVQS-UHFFFAOYSA-N 1 1 305.765 3.318 20 5 DGBDMO C[N@@H+](CCCCCn1cccn1)CCc1ccccc1[N+](=O)[O-] ZINC000285361390 218397981 /nfs/dbraw/zinc/39/79/81/218397981.db2.gz QIJZXPKHJSTTQM-UHFFFAOYSA-N 1 1 316.405 3.136 20 5 DGBDMO O=[N+]([O-])c1cc(C[N@H+]2CCC[C@@H](c3ncc[nH]3)C2)ccc1Cl ZINC000269053626 207201840 /nfs/dbraw/zinc/20/18/40/207201840.db2.gz UVEKZJMFIJUQLD-GFCCVEGCSA-N 1 1 320.780 3.351 20 5 DGBDMO Cc1c([C@H](C)NC2CC[NH+](C3CC3)CC2)cccc1[N+](=O)[O-] ZINC000119683473 195017255 /nfs/dbraw/zinc/01/72/55/195017255.db2.gz MPMABYVQDMVLQC-ZDUSSCGKSA-N 1 1 303.406 3.181 20 5 DGBDMO C[C@H]1CC[N@@H+](Cc2ccc(-c3cccc([N+](=O)[O-])c3)o2)[C@H]1CO ZINC000249106529 285056251 /nfs/dbraw/zinc/05/62/51/285056251.db2.gz QOKWCGSMJHZUTK-LRDDRELGSA-N 1 1 316.357 3.058 20 5 DGBDMO C[C@@H]1CC[N@@H+](CCC(=O)Nc2ccccc2[N+](=O)[O-])CC1(C)C ZINC000337321905 253087175 /nfs/dbraw/zinc/08/71/75/253087175.db2.gz QMXHQOAVOGNCBE-CYBMUJFWSA-N 1 1 319.405 3.291 20 5 DGBDMO O=[N+]([O-])c1cc(C[NH+]2CCC(c3ccncc3)CC2)cs1 ZINC000277401706 285086446 /nfs/dbraw/zinc/08/64/46/285086446.db2.gz ZMCJKKZJSYOPTK-UHFFFAOYSA-N 1 1 303.387 3.431 20 5 DGBDMO C[N@@H+](CCCO[C@H]1CCCCO1)CCc1cccc([N+](=O)[O-])c1 ZINC000338373134 253276302 /nfs/dbraw/zinc/27/63/02/253276302.db2.gz INUNCDCLTIMBAH-KRWDZBQOSA-N 1 1 322.405 3.002 20 5 DGBDMO Cc1cnc(N[C@H](C)[C@@H]2CCC[N@H+](C3CCC3)C2)c([N+](=O)[O-])c1 ZINC000273011034 210390326 /nfs/dbraw/zinc/39/03/26/210390326.db2.gz SDGISJILQFLEAM-ZIAGYGMSSA-N 1 1 318.421 3.363 20 5 DGBDMO C[N@H+](CCc1cccc([N+](=O)[O-])c1)Cc1ncc(C2CC2)o1 ZINC000338349287 253270924 /nfs/dbraw/zinc/27/09/24/253270924.db2.gz AYEUTICQVMVPCN-UHFFFAOYSA-N 1 1 301.346 3.135 20 5 DGBDMO C[N@@H+](CCc1cccc([N+](=O)[O-])c1)Cc1ncc(C2CC2)o1 ZINC000338349287 253270927 /nfs/dbraw/zinc/27/09/27/253270927.db2.gz AYEUTICQVMVPCN-UHFFFAOYSA-N 1 1 301.346 3.135 20 5 DGBDMO Cn1cc(Cl)cc1C[N@@H+](C)CCOc1ccccc1[N+](=O)[O-] ZINC000120223755 195121965 /nfs/dbraw/zinc/12/19/65/195121965.db2.gz ULUXCNKIRKHWCT-UHFFFAOYSA-N 1 1 323.780 3.098 20 5 DGBDMO COc1ccsc1C[N@@H+](C)CCc1cccc([N+](=O)[O-])c1 ZINC000338956460 253379483 /nfs/dbraw/zinc/37/94/83/253379483.db2.gz TXORPBTXMYTCON-UHFFFAOYSA-N 1 1 306.387 3.339 20 5 DGBDMO CCOCC[N@@H+](CC)Cc1cc([N+](=O)[O-])ccc1C(F)(F)F ZINC000338982054 253382978 /nfs/dbraw/zinc/38/29/78/253382978.db2.gz SQPPCCZIIXAYKF-UHFFFAOYSA-N 1 1 320.311 3.472 20 5 DGBDMO O=[N+]([O-])c1ccc2c(c1)[C@@H]([N@H+]1CCC[C@@]3(CCOC3)C1)CCC2 ZINC000453357972 285144049 /nfs/dbraw/zinc/14/40/49/285144049.db2.gz JNBXEWVHYLWSSG-ZWKOTPCHSA-N 1 1 316.401 3.475 20 5 DGBDMO CCCC[N@@H+](C)Cc1cn(C)nc1-c1ccc([N+](=O)[O-])cc1 ZINC000158148781 197247527 /nfs/dbraw/zinc/24/75/27/197247527.db2.gz KJJXFIRCSPANSY-UHFFFAOYSA-N 1 1 302.378 3.227 20 5 DGBDMO C[C@H](C1CC1)[N@@H+](C)Cc1cn(C)nc1-c1ccc([N+](=O)[O-])cc1 ZINC000158022043 197236060 /nfs/dbraw/zinc/23/60/60/197236060.db2.gz OINUDFFPCLZDCF-GFCCVEGCSA-N 1 1 314.389 3.226 20 5 DGBDMO C[C@H]([NH2+]CCc1ccc2cn[nH]c2c1)c1cccc([N+](=O)[O-])c1 ZINC000342825795 254059677 /nfs/dbraw/zinc/05/96/77/254059677.db2.gz LYQNJOGZUHPFNN-LBPRGKRZSA-N 1 1 310.357 3.364 20 5 DGBDMO COc1cc(C[N@@H+](Cc2ccc([N+](=O)[O-])cc2)C(C)C)ccn1 ZINC000342861675 254068022 /nfs/dbraw/zinc/06/80/22/254068022.db2.gz VBIJNLMZWGBLCK-UHFFFAOYSA-N 1 1 315.373 3.409 20 5 DGBDMO CC(C)(C)OC(=O)CCC[N@@H+]1CCc2ccc([N+](=O)[O-])cc2C1 ZINC000343580070 254163853 /nfs/dbraw/zinc/16/38/53/254163853.db2.gz PGMDXAHXUWQJGN-UHFFFAOYSA-N 1 1 320.389 3.075 20 5 DGBDMO CC(C)(C)OC(=O)CCC[N@H+]1CCc2ccc([N+](=O)[O-])cc2C1 ZINC000343580070 254163856 /nfs/dbraw/zinc/16/38/56/254163856.db2.gz PGMDXAHXUWQJGN-UHFFFAOYSA-N 1 1 320.389 3.075 20 5 DGBDMO CN(c1ccc(Cl)cc1[N+](=O)[O-])C1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC000343328954 254127288 /nfs/dbraw/zinc/12/72/88/254127288.db2.gz BCYVWFUKZIPPIV-FUNVUKJBSA-N 1 1 309.797 3.310 20 5 DGBDMO COc1cncc(C[N@H+](Cc2ccc([N+](=O)[O-])cc2)C2CC2)c1 ZINC000343706553 254179832 /nfs/dbraw/zinc/17/98/32/254179832.db2.gz AGQCAGQMWRYUPM-UHFFFAOYSA-N 1 1 313.357 3.163 20 5 DGBDMO COc1cncc(C[N@@H+](Cc2ccc([N+](=O)[O-])cc2)C2CC2)c1 ZINC000343706553 254179834 /nfs/dbraw/zinc/17/98/34/254179834.db2.gz AGQCAGQMWRYUPM-UHFFFAOYSA-N 1 1 313.357 3.163 20 5 DGBDMO C[N@@H+](CCC(=O)Nc1ccc([N+](=O)[O-])cc1)C[C@H]1CC=CCC1 ZINC000344054512 254218841 /nfs/dbraw/zinc/21/88/41/254218841.db2.gz JACNVHWARXLKNE-AWEZNQCLSA-N 1 1 317.389 3.212 20 5 DGBDMO C[C@@H](C(=O)Nc1ccccc1[N+](=O)[O-])[N@H+]1CCC[C@@H](C2CC2)C1 ZINC000344089528 254223469 /nfs/dbraw/zinc/22/34/69/254223469.db2.gz JIKAQGWPQAUWPS-GXTWGEPZSA-N 1 1 317.389 3.044 20 5 DGBDMO C[N@@H+](Cc1ccc(Cl)cc1[N+](=O)[O-])C1CCC(CO)CC1 ZINC000120328075 195143677 /nfs/dbraw/zinc/14/36/77/195143677.db2.gz QFEQGYNWCHYYRU-UHFFFAOYSA-N 1 1 312.797 3.231 20 5 DGBDMO CC[C@H]1CC[C@@H](C)[N@H+]1Cc1nc(-c2cccc([N+](=O)[O-])c2)no1 ZINC000271562760 209015741 /nfs/dbraw/zinc/01/57/41/209015741.db2.gz PWIQAHYBEBHBBX-YPMHNXCESA-N 1 1 316.361 3.408 20 5 DGBDMO CCOc1cc(C[N@@H+]2CCC(F)(F)[C@H](C)C2)ccc1[N+](=O)[O-] ZINC000289813807 221244885 /nfs/dbraw/zinc/24/48/85/221244885.db2.gz NRIQXVYJHCBUGG-LLVKDONJSA-N 1 1 314.332 3.471 20 5 DGBDMO CCOc1cc(C[N@H+]2CCC(F)(F)[C@H](C)C2)ccc1[N+](=O)[O-] ZINC000289813807 221244887 /nfs/dbraw/zinc/24/48/87/221244887.db2.gz NRIQXVYJHCBUGG-LLVKDONJSA-N 1 1 314.332 3.471 20 5 DGBDMO C/C(=C/c1cccc([N+](=O)[O-])c1)C[N@H+]1CC[C@@H](O)CC(C)(C)C1 ZINC000449620126 533383712 /nfs/dbraw/zinc/38/37/12/533383712.db2.gz SNGWTGYEWSWITJ-CRPZLVSXSA-N 1 1 318.417 3.481 20 5 DGBDMO C[C@H]1CC[N@@H+](Cc2nc3cc([N+](=O)[O-])ccc3[nH]2)C[C@@H](C)C1 ZINC000444659903 533644790 /nfs/dbraw/zinc/64/47/90/533644790.db2.gz FJVUWXMWVJPVIJ-RYUDHWBXSA-N 1 1 302.378 3.339 20 5 DGBDMO CC[NH+]1CCN(C(=O)c2cc3ccccc3c3cccnc23)CC1 ZINC000298609986 132070423 /nfs/dbraw/zinc/07/04/23/132070423.db2.gz RFJPMGIUTVLEGM-UHFFFAOYSA-N 1 1 319.408 3.166 20 5 DGBDMO Cc1ccc([C@@H](C)N[C@@H]2CC[N@H+](C(C)(C)C)C2)cc1[N+](=O)[O-] ZINC000595056366 400092777 /nfs/dbraw/zinc/09/27/77/400092777.db2.gz FRPVHNOOGVFYKY-UKRRQHHQSA-N 1 1 305.422 3.427 20 5 DGBDMO Cc1ccc([C@@H](C)[NH2+][C@@H]2CCN(C(C)(C)C)C2)cc1[N+](=O)[O-] ZINC000595056366 400092780 /nfs/dbraw/zinc/09/27/80/400092780.db2.gz FRPVHNOOGVFYKY-UKRRQHHQSA-N 1 1 305.422 3.427 20 5 DGBDMO Cc1noc(C[N@H+]2CCC[C@@H]2Cc2ccc(F)cc2)c1[N+](=O)[O-] ZINC000595292592 400118590 /nfs/dbraw/zinc/11/85/90/400118590.db2.gz AYTHJFYSPFYXKN-CQSZACIVSA-N 1 1 319.336 3.237 20 5 DGBDMO C[C@@H]([NH2+][C@@H]1CC(C)(C)c2ccc([N+](=O)[O-])cc21)c1nccn1C ZINC000595108559 400108738 /nfs/dbraw/zinc/10/87/38/400108738.db2.gz SKWLZLXOPDKUMZ-IAQYHMDHSA-N 1 1 314.389 3.402 20 5 DGBDMO CC(C)[N@H+]1CC[C@@H](CNc2ccnc3c2cccc3[N+](=O)[O-])C1 ZINC000322157983 400174057 /nfs/dbraw/zinc/17/40/57/400174057.db2.gz MCJSJFUSWXPOGL-ZDUSSCGKSA-N 1 1 314.389 3.285 20 5 DGBDMO CC1(C)C[C@H]([N@H+]2CCC[C@@H](c3ccc([N+](=O)[O-])cc3)C2)CO1 ZINC000595525243 400177778 /nfs/dbraw/zinc/17/77/78/400177778.db2.gz QDVWJXHOUHKTIJ-ZBFHGGJFSA-N 1 1 304.390 3.342 20 5 DGBDMO C[N@H+]1Cc2ccccc2[C@H](Nc2c(F)cccc2[N+](=O)[O-])C1 ZINC000588007572 400179768 /nfs/dbraw/zinc/17/97/68/400179768.db2.gz IOTSLFQNHBEKTN-CQSZACIVSA-N 1 1 301.321 3.333 20 5 DGBDMO C[N@@H+]1Cc2ccccc2[C@H](Nc2c(F)cccc2[N+](=O)[O-])C1 ZINC000588007572 400179774 /nfs/dbraw/zinc/17/97/74/400179774.db2.gz IOTSLFQNHBEKTN-CQSZACIVSA-N 1 1 301.321 3.333 20 5 DGBDMO CC(C)[N@@H+](CCO[C@H]1CC1(F)F)Cc1ccc([N+](=O)[O-])cc1 ZINC000595295712 400120608 /nfs/dbraw/zinc/12/06/08/400120608.db2.gz QAYZIXFEPRBNIL-AWEZNQCLSA-N 1 1 314.332 3.229 20 5 DGBDMO O=[N+]([O-])c1cc(F)ccc1C[NH+]1CCC(OCC2CC2)CC1 ZINC000595332484 400128802 /nfs/dbraw/zinc/12/88/02/400128802.db2.gz GBDSIJNSPDFSLX-UHFFFAOYSA-N 1 1 308.353 3.125 20 5 DGBDMO CC1(C)C[N@@H+](CCCOc2ccc([N+](=O)[O-])cc2)C(C)(C)CO1 ZINC000609672082 400185922 /nfs/dbraw/zinc/18/59/22/400185922.db2.gz YDAPSSHYWUOXOE-UHFFFAOYSA-N 1 1 322.405 3.253 20 5 DGBDMO Cc1noc(C[N@@H+]2CCSC3(CCCCC3)C2)c1[N+](=O)[O-] ZINC000595345780 400132798 /nfs/dbraw/zinc/13/27/98/400132798.db2.gz RJOBSBGPWNIFLV-UHFFFAOYSA-N 1 1 311.407 3.143 20 5 DGBDMO Cc1noc(C[N@H+]2CCSC3(CCCCC3)C2)c1[N+](=O)[O-] ZINC000595345780 400132801 /nfs/dbraw/zinc/13/28/01/400132801.db2.gz RJOBSBGPWNIFLV-UHFFFAOYSA-N 1 1 311.407 3.143 20 5 DGBDMO Cc1noc(C[N@H+]2CC[C@@H](c3cccc(C)c3)C2)c1[N+](=O)[O-] ZINC000595426174 400145761 /nfs/dbraw/zinc/14/57/61/400145761.db2.gz OEEFISXFARSNOX-CQSZACIVSA-N 1 1 301.346 3.189 20 5 DGBDMO Cc1ccc(C[N@H+]2CCC[C@H](c3ncc[nH]3)C2)cc1[N+](=O)[O-] ZINC000092072092 400152126 /nfs/dbraw/zinc/15/21/26/400152126.db2.gz LQJJZDCFGNPKHU-AWEZNQCLSA-N 1 1 300.362 3.006 20 5 DGBDMO O=[N+]([O-])c1cc(F)c(C[N@@H+]2CC[C@@H](c3ccco3)C2)c(F)c1 ZINC000586764176 400152227 /nfs/dbraw/zinc/15/22/27/400152227.db2.gz COPPAJRZYLOIGX-SNVBAGLBSA-N 1 1 308.284 3.456 20 5 DGBDMO O=[N+]([O-])c1cc(F)c(C[N@H+]2CC[C@@H](c3ccco3)C2)c(F)c1 ZINC000586764176 400152230 /nfs/dbraw/zinc/15/22/30/400152230.db2.gz COPPAJRZYLOIGX-SNVBAGLBSA-N 1 1 308.284 3.456 20 5 DGBDMO CN(CC[N@@H+](C)CCc1ccc([N+](=O)[O-])cc1)c1ccccc1 ZINC000609355645 400161750 /nfs/dbraw/zinc/16/17/50/400161750.db2.gz YJUHKZZGESVBTJ-UHFFFAOYSA-N 1 1 313.401 3.206 20 5 DGBDMO C[N@@H+](CCc1cccc([N+](=O)[O-])c1)Cc1cc(C2CC2)no1 ZINC000595476539 400163096 /nfs/dbraw/zinc/16/30/96/400163096.db2.gz NRCJJECWXVVNJU-UHFFFAOYSA-N 1 1 301.346 3.135 20 5 DGBDMO C[N@@H+](CCc1ccccc1[N+](=O)[O-])Cc1cc(C2CC2)no1 ZINC000595483300 400165411 /nfs/dbraw/zinc/16/54/11/400165411.db2.gz FVLOGQAEHBFVIR-UHFFFAOYSA-N 1 1 301.346 3.135 20 5 DGBDMO COc1cc(NC[C@H]2CC[N@H+](C(C)C)C2)c([N+](=O)[O-])cc1C ZINC000320756104 400166752 /nfs/dbraw/zinc/16/67/52/400166752.db2.gz AXFJSYJXDIMJSW-CYBMUJFWSA-N 1 1 307.394 3.054 20 5 DGBDMO O=[N+]([O-])c1ncccc1NC[C@H]1CCC[N@H+]1CC1CCCCC1 ZINC000609448996 400168316 /nfs/dbraw/zinc/16/83/16/400168316.db2.gz DPOMZDXKHDMSBP-OAHLLOKOSA-N 1 1 318.421 3.446 20 5 DGBDMO CO[C@H]1CCN(c2cc[nH+]c3ccc([N+](=O)[O-])cc32)CC1(C)C ZINC000601171320 400256193 /nfs/dbraw/zinc/25/61/93/400256193.db2.gz LXQRCAMNQVBFLB-INIZCTEOSA-N 1 1 315.373 3.394 20 5 DGBDMO CO[C@@H]1CCCN(c2cc[nH+]c3ccc([N+](=O)[O-])cc32)CC1 ZINC000601140938 400246855 /nfs/dbraw/zinc/24/68/55/400246855.db2.gz DJFYHDCLDHHWMB-CYBMUJFWSA-N 1 1 301.346 3.148 20 5 DGBDMO CC[C@@]1(C)CN(c2cc[nH+]c3ccc([N+](=O)[O-])cc32)CCO1 ZINC000601152113 400249921 /nfs/dbraw/zinc/24/99/21/400249921.db2.gz AUMUSJFDSZMUHZ-INIZCTEOSA-N 1 1 301.346 3.148 20 5 DGBDMO C[C@@H]([NH2+]Cc1cnnn1-c1ccccc1)c1cccc([N+](=O)[O-])c1 ZINC000588965419 400251535 /nfs/dbraw/zinc/25/15/35/400251535.db2.gz XCWQCYOKZCJDQF-CYBMUJFWSA-N 1 1 323.356 3.026 20 5 DGBDMO O=[N+]([O-])c1ccc2[nH+]ccc(NCc3noc4c3CCCC4)c2c1 ZINC000601166521 400254456 /nfs/dbraw/zinc/25/44/56/400254456.db2.gz PEAIOYRCDCBRAN-UHFFFAOYSA-N 1 1 324.340 3.044 20 5 DGBDMO Cc1noc(C[N@H+]2CCc3ccccc3C(C)(C)C2)c1[N+](=O)[O-] ZINC000595636348 400214342 /nfs/dbraw/zinc/21/43/42/400214342.db2.gz XTCJQISFHADTKB-UHFFFAOYSA-N 1 1 315.373 3.227 20 5 DGBDMO O=[N+]([O-])c1sccc1NCC[N@@H+]1CCc2sccc2C1 ZINC000067914222 400216487 /nfs/dbraw/zinc/21/64/87/400216487.db2.gz MOAKYWLRFWTZCH-UHFFFAOYSA-N 1 1 309.416 3.188 20 5 DGBDMO O=[N+]([O-])c1sccc1NCC[N@H+]1CCc2sccc2C1 ZINC000067914222 400216491 /nfs/dbraw/zinc/21/64/91/400216491.db2.gz MOAKYWLRFWTZCH-UHFFFAOYSA-N 1 1 309.416 3.188 20 5 DGBDMO O=[N+]([O-])c1ccc(CC[N@@H+]2CCCC[C@H]2c2ncc[nH]2)cc1 ZINC000610531502 400272772 /nfs/dbraw/zinc/27/27/72/400272772.db2.gz FGPYLCKPBRSCOH-HNNXBMFYSA-N 1 1 300.362 3.088 20 5 DGBDMO O=[N+]([O-])c1ccc(CC[N@H+]2CCCC[C@H]2c2ncc[nH]2)cc1 ZINC000610531502 400272777 /nfs/dbraw/zinc/27/27/77/400272777.db2.gz FGPYLCKPBRSCOH-HNNXBMFYSA-N 1 1 300.362 3.088 20 5 DGBDMO COc1cc(C[N@H+]2CCC[C@@H](C3CC3)C2)c([N+](=O)[O-])cc1OC ZINC000589209427 400276552 /nfs/dbraw/zinc/27/65/52/400276552.db2.gz MSOOKGGYGGZTRA-CYBMUJFWSA-N 1 1 320.389 3.234 20 5 DGBDMO O=C(C[N@H+]1CCC[C@@H](C2CCC2)C1)Nc1ccccc1[N+](=O)[O-] ZINC000595838277 400277464 /nfs/dbraw/zinc/27/74/64/400277464.db2.gz UQWZNZRJXKFZGJ-CQSZACIVSA-N 1 1 317.389 3.045 20 5 DGBDMO C[N@H+]1CCC[C@H](CNc2ccc(C(F)(F)F)cc2[N+](=O)[O-])C1 ZINC000068722739 400282175 /nfs/dbraw/zinc/28/21/75/400282175.db2.gz NVEROZOGIVIFIV-SNVBAGLBSA-N 1 1 317.311 3.367 20 5 DGBDMO CCC[C@@H](C)[N@@H+](C)CC(=O)Nc1ccc(OCC)cc1[N+](=O)[O-] ZINC000030269497 400323358 /nfs/dbraw/zinc/32/33/58/400323358.db2.gz IYVCAHMBGCWCGD-GFCCVEGCSA-N 1 1 323.393 3.052 20 5 DGBDMO C[N@H+](Cc1nc(-c2cccc([N+](=O)[O-])c2)no1)C[C@H]1CC1(C)C ZINC000595910935 400292523 /nfs/dbraw/zinc/29/25/23/400292523.db2.gz DTHKVLIEZZFAGM-GFCCVEGCSA-N 1 1 316.361 3.123 20 5 DGBDMO COC(=O)c1ccc([N+](=O)[O-])c(C[N@@H+](CC(C)C)C2CC2)c1 ZINC000589495979 400300613 /nfs/dbraw/zinc/30/06/13/400300613.db2.gz SPOOGLGDMRCBCU-UHFFFAOYSA-N 1 1 306.362 3.002 20 5 DGBDMO CC[N@@H+](Cc1cc2c(cc1[N+](=O)[O-])OCCO2)CC(C)(C)C ZINC000589737215 400324141 /nfs/dbraw/zinc/32/41/41/400324141.db2.gz XOWKGFNUHCNQPM-UHFFFAOYSA-N 1 1 308.378 3.234 20 5 DGBDMO C[N@@H+](CCNc1ccc(C(F)(F)F)c([N+](=O)[O-])c1)C1CC1 ZINC000596088384 400314017 /nfs/dbraw/zinc/31/40/17/400314017.db2.gz QHYLHHXCPJNMHB-UHFFFAOYSA-N 1 1 303.284 3.120 20 5 DGBDMO CC[C@@H]1CC[C@@H](C)[N@@H+](CCC(=O)Nc2ccccc2[N+](=O)[O-])C1 ZINC000595782080 400258021 /nfs/dbraw/zinc/25/80/21/400258021.db2.gz HASFETSEEPXTFF-ZIAGYGMSSA-N 1 1 319.405 3.434 20 5 DGBDMO O=[N+]([O-])c1ccc(N2CC[C@H]3[C@H](CCC[N@H+]3C3CC3)C2)s1 ZINC000610946684 400326983 /nfs/dbraw/zinc/32/69/83/400326983.db2.gz BOGBHGAMMKNOTB-YPMHNXCESA-N 1 1 307.419 3.109 20 5 DGBDMO CC[N@@H+](CCNc1ccsc1[N+](=O)[O-])CCC(F)(F)F ZINC000617210284 400330546 /nfs/dbraw/zinc/33/05/46/400330546.db2.gz LBKBQSNHVUCTDC-UHFFFAOYSA-N 1 1 311.329 3.343 20 5 DGBDMO CCC[N@H+](Cc1cc2c(cc1[N+](=O)[O-])OCCO2)CC(C)C ZINC000611255676 400366866 /nfs/dbraw/zinc/36/68/66/400366866.db2.gz PCTZGUNSWJYWMX-UHFFFAOYSA-N 1 1 308.378 3.234 20 5 DGBDMO CC[N@@H+](CCCNc1cc[nH]c(=O)c1[N+](=O)[O-])C1CCCCC1 ZINC000596290093 400372020 /nfs/dbraw/zinc/37/20/20/400372020.db2.gz JLKCLHYKWVNLTA-UHFFFAOYSA-N 1 1 322.409 3.152 20 5 DGBDMO CC(C)(C)[N@H+]1CC[C@H]1CNc1ccnc2c1cccc2[N+](=O)[O-] ZINC000596308764 400376933 /nfs/dbraw/zinc/37/69/33/400376933.db2.gz NMXVBJQNARAYDJ-LBPRGKRZSA-N 1 1 314.389 3.428 20 5 DGBDMO C[N@@H+](CCC(=O)Nc1ccc([N+](=O)[O-])cc1)Cc1cccs1 ZINC000041887686 400415916 /nfs/dbraw/zinc/41/59/16/400415916.db2.gz SONYROTWEDONRH-UHFFFAOYSA-N 1 1 319.386 3.117 20 5 DGBDMO CC[C@@H]1C[C@@H](C)C[N@H+]1Cc1nc(-c2ccc([N+](=O)[O-])cc2)no1 ZINC000072697556 400398891 /nfs/dbraw/zinc/39/88/91/400398891.db2.gz OEOUOTHYDWMEEK-DGCLKSJQSA-N 1 1 316.361 3.265 20 5 DGBDMO O=[N+]([O-])c1cccc2c1ccnc2N[C@H]1CC[N@@H+](CC2CC2)C1 ZINC000590689652 400416061 /nfs/dbraw/zinc/41/60/61/400416061.db2.gz SWGNNFAMIRLAHV-ZDUSSCGKSA-N 1 1 312.373 3.039 20 5 DGBDMO C[C@H](Nc1cccnc1[N+](=O)[O-])[C@H]1CCC[N@H+](C2CCC2)C1 ZINC000611583546 400427166 /nfs/dbraw/zinc/42/71/66/400427166.db2.gz MZZKANLJLYRKRQ-STQMWFEESA-N 1 1 304.394 3.055 20 5 DGBDMO CCC[N@H+]1CC[C@H](Nc2cc(OC)c([N+](=O)[O-])cc2Cl)C1 ZINC000596518840 400436656 /nfs/dbraw/zinc/43/66/56/400436656.db2.gz XJDLHELHMFQWKR-JTQLQIEISA-N 1 1 313.785 3.153 20 5 DGBDMO Cc1cc(C[NH2+][C@@H]2CCCCc3ccc([N+](=O)[O-])cc32)ncn1 ZINC000591348315 400513701 /nfs/dbraw/zinc/51/37/01/400513701.db2.gz QDPUZUQKEGTTIY-QGZVFWFLSA-N 1 1 312.373 3.251 20 5 DGBDMO C[N@H+](Cc1cc(Br)c([N+](=O)[O-])s1)C1CCC1 ZINC000602475958 400472895 /nfs/dbraw/zinc/47/28/95/400472895.db2.gz UWSVZRXQDXHCNO-UHFFFAOYSA-N 1 1 305.197 3.403 20 5 DGBDMO C[N@@H+](Cc1cc(Br)c([N+](=O)[O-])s1)C1CCC1 ZINC000602475958 400472897 /nfs/dbraw/zinc/47/28/97/400472897.db2.gz UWSVZRXQDXHCNO-UHFFFAOYSA-N 1 1 305.197 3.403 20 5 DGBDMO CCOc1ccc([C@@H](C)NCC[C@@H]([NH3+])C(C)C)cc1[N+](=O)[O-] ZINC000596654898 400473579 /nfs/dbraw/zinc/47/35/79/400473579.db2.gz RBONJCPYSJOFEG-TZMCWYRMSA-N 1 1 309.410 3.018 20 5 DGBDMO Cc1cccc([N+](=O)[O-])c1NC(=O)C[N@@H+](C)CC1CCCCC1 ZINC000043999761 400482599 /nfs/dbraw/zinc/48/25/99/400482599.db2.gz XIPUIRDUWLPFRB-UHFFFAOYSA-N 1 1 319.405 3.354 20 5 DGBDMO Cc1cc(NCCCC[N@@H+]2CCC[C@H](C)C2)ncc1[N+](=O)[O-] ZINC000074740935 400531394 /nfs/dbraw/zinc/53/13/94/400531394.db2.gz BIUHAZMVFFIHHC-ZDUSSCGKSA-N 1 1 306.410 3.222 20 5 DGBDMO Cn1ccnc1[C@H]([NH2+]C(C)(C)c1ccccc1[N+](=O)[O-])C1CC1 ZINC000602673841 400533831 /nfs/dbraw/zinc/53/38/31/400533831.db2.gz STRGEHXWSFZFAC-OAHLLOKOSA-N 1 1 314.389 3.304 20 5 DGBDMO CCOC[C@H]1CCCC[N@@H+]1Cc1nc2cc([N+](=O)[O-])ccc2o1 ZINC000602690295 400539371 /nfs/dbraw/zinc/53/93/71/400539371.db2.gz IOVNXELXIUMXSE-CYBMUJFWSA-N 1 1 319.361 3.127 20 5 DGBDMO CCOC[C@H]1CCCC[N@H+]1Cc1nc2cc([N+](=O)[O-])ccc2o1 ZINC000602690295 400539374 /nfs/dbraw/zinc/53/93/74/400539374.db2.gz IOVNXELXIUMXSE-CYBMUJFWSA-N 1 1 319.361 3.127 20 5 DGBDMO COCCCC[N@@H+](C)Cc1ccc(C(F)(F)F)cc1[N+](=O)[O-] ZINC000602693183 400540977 /nfs/dbraw/zinc/54/09/77/400540977.db2.gz CBDFOKDAYQBLIF-UHFFFAOYSA-N 1 1 320.311 3.472 20 5 DGBDMO O=[N+]([O-])c1ccc2[nH]c(C[N@H+]3CCC[C@H]3C3CCC3)nc2c1 ZINC000618279264 400558228 /nfs/dbraw/zinc/55/82/28/400558228.db2.gz HNJZZOQWIHHKCF-HNNXBMFYSA-N 1 1 300.362 3.236 20 5 DGBDMO Cc1ncc([N+](=O)[O-])n1CC[N@@H+](Cc1ccccc1C)C1CC1 ZINC000602769133 400569415 /nfs/dbraw/zinc/56/94/15/400569415.db2.gz MYWPJRLSOUHFSN-UHFFFAOYSA-N 1 1 314.389 3.073 20 5 DGBDMO C/C(=C/c1cccc([N+](=O)[O-])c1)C[N@@H+]1CC[C@@H](C)O[C@@H](C)C1 ZINC000597225055 400592964 /nfs/dbraw/zinc/59/29/64/400592964.db2.gz MKZBSHNCLCZLDJ-XZVYODRBSA-N 1 1 304.390 3.497 20 5 DGBDMO O=[N+]([O-])c1cccc(F)c1C[N@H+]1CCC[C@@H]1[C@H]1CCCOC1 ZINC000592134926 400611016 /nfs/dbraw/zinc/61/10/16/400611016.db2.gz UELVXMMDUBUTKT-SWLSCSKDSA-N 1 1 308.353 3.125 20 5 DGBDMO C[C@@H]([NH2+]Cc1cn2ccsc2n1)c1ccc([N+](=O)[O-])cc1 ZINC000358078869 285965040 /nfs/dbraw/zinc/96/50/40/285965040.db2.gz FDNVXILQKDQKHV-SNVBAGLBSA-N 1 1 302.359 3.155 20 5 DGBDMO C[C@H]1CC[N@@H+](CCn2ccc([N+](=O)[O-])n2)CC12CCCCC2 ZINC000613188900 400670115 /nfs/dbraw/zinc/67/01/15/400670115.db2.gz NCRGTHVMNXMZAO-AWEZNQCLSA-N 1 1 306.410 3.084 20 5 DGBDMO Cc1nccc([C@@H]2CCC[N@@H+](Cc3ccc([N+](=O)[O-])cc3)C2)n1 ZINC000603834278 400720909 /nfs/dbraw/zinc/72/09/09/400720909.db2.gz OHUUDJVGESFFPT-OAHLLOKOSA-N 1 1 312.373 3.073 20 5 DGBDMO Cc1nccc([C@@H]2CCC[N@@H+](Cc3cccc([N+](=O)[O-])c3)C2)n1 ZINC000603834190 400720975 /nfs/dbraw/zinc/72/09/75/400720975.db2.gz KOBGMWXSIYZCOJ-OAHLLOKOSA-N 1 1 312.373 3.073 20 5 DGBDMO CC(C)O[C@H]1CCC[N@@H+](CCCOc2ccc([N+](=O)[O-])cc2)C1 ZINC000593055907 400747273 /nfs/dbraw/zinc/74/72/73/400747273.db2.gz UHMSOWHXGNDWPV-KRWDZBQOSA-N 1 1 322.405 3.253 20 5 DGBDMO CCOc1ccc([N+](=O)[O-])cc1C[N@@H+]1CCC[C@H](OC(C)C)C1 ZINC000593055927 400747908 /nfs/dbraw/zinc/74/79/08/400747908.db2.gz UYXTYVUMABVZGH-INIZCTEOSA-N 1 1 322.405 3.383 20 5 DGBDMO CCOc1ccc([N+](=O)[O-])cc1C[N@H+]1CCC[C@H](OC(C)C)C1 ZINC000593055927 400747911 /nfs/dbraw/zinc/74/79/11/400747911.db2.gz UYXTYVUMABVZGH-INIZCTEOSA-N 1 1 322.405 3.383 20 5 DGBDMO CC(C)O[C@H]1CCC[N@H+](Cc2nc3cc([N+](=O)[O-])ccc3o2)C1 ZINC000593055326 400747989 /nfs/dbraw/zinc/74/79/89/400747989.db2.gz JYGIKURFPJRGBD-ZDUSSCGKSA-N 1 1 319.361 3.125 20 5 DGBDMO CC(C)O[C@H]1CCC[N@@H+](Cc2nc3cc([N+](=O)[O-])ccc3o2)C1 ZINC000593055326 400747993 /nfs/dbraw/zinc/74/79/93/400747993.db2.gz JYGIKURFPJRGBD-ZDUSSCGKSA-N 1 1 319.361 3.125 20 5 DGBDMO CCCC[N@@H+](C)CC1CCN(c2ncc(C)cc2[N+](=O)[O-])CC1 ZINC000078632667 400816569 /nfs/dbraw/zinc/81/65/69/400816569.db2.gz OTXAZGIJBVYOEZ-UHFFFAOYSA-N 1 1 320.437 3.247 20 5 DGBDMO CC[C@@H](NCc1ccc(C[NH3+])cc1F)c1cccc([N+](=O)[O-])c1 ZINC000593318582 400817459 /nfs/dbraw/zinc/81/74/59/400817459.db2.gz FDJQBOBXHATMIE-QGZVFWFLSA-N 1 1 317.364 3.434 20 5 DGBDMO O=[N+]([O-])c1ccc(NC2CC[NH+](Cc3ccccn3)CC2)s1 ZINC000604409260 400773858 /nfs/dbraw/zinc/77/38/58/400773858.db2.gz LMGUHUFWKCWSEK-UHFFFAOYSA-N 1 1 318.402 3.128 20 5 DGBDMO CO[C@@]1(C)CCC[N@@H+](C/C=C\c2ccccc2[N+](=O)[O-])CC1 ZINC000619433472 400847340 /nfs/dbraw/zinc/84/73/40/400847340.db2.gz DKSSBOFFIAXMLZ-AFCDSYGPSA-N 1 1 304.390 3.499 20 5 DGBDMO C[C@@H]1C[C@@H](Nc2ccc3cnccc3c2[N+](=O)[O-])C[N@H+]1C1CC1 ZINC000599062851 400944165 /nfs/dbraw/zinc/94/41/65/400944165.db2.gz VPOBUDASBSSWSZ-DGCLKSJQSA-N 1 1 312.373 3.180 20 5 DGBDMO CC[C@@H]([NH2+]C[C@@H]1CCCC[N@@H+](C)C1)c1cccc([N+](=O)[O-])c1 ZINC000599072065 400950236 /nfs/dbraw/zinc/95/02/36/400950236.db2.gz XHNSTWHFDYCBIG-WMLDXEAASA-N 1 1 305.422 3.367 20 5 DGBDMO CC[C@@H](NC[C@@H]1CCCC[N@H+](C)C1)c1cccc([N+](=O)[O-])c1 ZINC000599072065 400950241 /nfs/dbraw/zinc/95/02/41/400950241.db2.gz XHNSTWHFDYCBIG-WMLDXEAASA-N 1 1 305.422 3.367 20 5 DGBDMO CC[C@@H](NC[C@@H]1CCCC[N@@H+](C)C1)c1cccc([N+](=O)[O-])c1 ZINC000599072065 400950249 /nfs/dbraw/zinc/95/02/49/400950249.db2.gz XHNSTWHFDYCBIG-WMLDXEAASA-N 1 1 305.422 3.367 20 5 DGBDMO C[C@H]([NH2+]Cc1nc2cc([N+](=O)[O-])ccc2[nH]1)c1ccsc1 ZINC000619782502 400906045 /nfs/dbraw/zinc/90/60/45/400906045.db2.gz AHTBFYLVPQEQOB-VIFPVBQESA-N 1 1 302.359 3.383 20 5 DGBDMO Cc1cccc([N+](=O)[O-])c1NC(=O)C[N@H+](C)C1CCC(C)CC1 ZINC000198202684 400929221 /nfs/dbraw/zinc/92/92/21/400929221.db2.gz QPUXIOHQIIIGOB-UHFFFAOYSA-N 1 1 319.405 3.352 20 5 DGBDMO C[C@@H](CNc1ccc2cnccc2c1[N+](=O)[O-])[N@@H+](C)C1CC1 ZINC000599039611 400934005 /nfs/dbraw/zinc/93/40/05/400934005.db2.gz BWEDFWMFAKFSIG-NSHDSACASA-N 1 1 300.362 3.038 20 5 DGBDMO CC(=O)c1cc(NC[C@H]2CC[N@H+]2C2CCCC2)ccc1[N+](=O)[O-] ZINC000599163553 400982597 /nfs/dbraw/zinc/98/25/97/400982597.db2.gz DFWINHDLAZOPEA-OAHLLOKOSA-N 1 1 317.389 3.226 20 5 DGBDMO CC(C)(C)[N@H+]1CC[C@@H]1CNc1ccc2cnccc2c1[N+](=O)[O-] ZINC000599099003 400960172 /nfs/dbraw/zinc/96/01/72/400960172.db2.gz QQDNERAXIMHCAQ-CYBMUJFWSA-N 1 1 314.389 3.428 20 5 DGBDMO C[C@H]1C[C@@H]1C[N@@H+](Cc1ccccc1[N+](=O)[O-])[C@H]1CC[C@H](O)CC1 ZINC000599444466 401051271 /nfs/dbraw/zinc/05/12/71/401051271.db2.gz XFXRSRLVPVSLPG-ORQFMDKSSA-N 1 1 318.417 3.356 20 5 DGBDMO C[C@@H]1C[N@H+](CCOc2cccc([N+](=O)[O-])c2)C[C@H](C)C1(F)F ZINC000599511896 401062261 /nfs/dbraw/zinc/06/22/61/401062261.db2.gz CUWFGPNEOZDZJJ-TXEJJXNPSA-N 1 1 314.332 3.197 20 5 DGBDMO COc1cc([N+](=O)[O-])ccc1C[N@H+]1CCCC(F)(F)CC1 ZINC000599551765 401074326 /nfs/dbraw/zinc/07/43/26/401074326.db2.gz AZWPWOPJPKNSNE-UHFFFAOYSA-N 1 1 300.305 3.225 20 5 DGBDMO CC(=O)c1cc(N[C@@H]2CCC[N@H+]3CCCC[C@H]23)ccc1[N+](=O)[O-] ZINC000594596595 401122256 /nfs/dbraw/zinc/12/22/56/401122256.db2.gz ARQIZBKHLHTRKP-NVXWUHKLSA-N 1 1 317.389 3.226 20 5 DGBDMO CC(=O)c1cc(N[C@H]2CCC[N@H+]3CCCC[C@H]23)ccc1[N+](=O)[O-] ZINC000594596587 401122503 /nfs/dbraw/zinc/12/25/03/401122503.db2.gz ARQIZBKHLHTRKP-DOTOQJQBSA-N 1 1 317.389 3.226 20 5 DGBDMO O=[N+]([O-])c1cc(Cl)cnc1N[C@H]1CCC[N@H+]2CCCC[C@H]12 ZINC000594601231 401124912 /nfs/dbraw/zinc/12/49/12/401124912.db2.gz MTLOUWMXFPZBOE-NWDGAFQWSA-N 1 1 310.785 3.072 20 5 DGBDMO O=[N+]([O-])c1cc(Cl)cnc1N[C@@H]1CCC[N@H+]2CCCC[C@@H]12 ZINC000594601230 401125246 /nfs/dbraw/zinc/12/52/46/401125246.db2.gz MTLOUWMXFPZBOE-NEPJUHHUSA-N 1 1 310.785 3.072 20 5 DGBDMO CC(=O)c1ccc(N[C@@H]2CCC[N@H+]3CCCC[C@@H]23)c([N+](=O)[O-])c1 ZINC000594600559 401125526 /nfs/dbraw/zinc/12/55/26/401125526.db2.gz MBLYXTPKNQISAM-ZBFHGGJFSA-N 1 1 317.389 3.226 20 5 DGBDMO CCOc1cc(N[C@@H]2CCC[N@H+]3CCCC[C@@H]23)ccc1[N+](=O)[O-] ZINC000594600008 401125943 /nfs/dbraw/zinc/12/59/43/401125943.db2.gz LBNBCUGBBONJEM-CABCVRRESA-N 1 1 319.405 3.422 20 5 DGBDMO Cc1ccc(C[N@H+]2CCC[C@@H](OC3CCC3)C2)cc1[N+](=O)[O-] ZINC000594614463 401136096 /nfs/dbraw/zinc/13/60/96/401136096.db2.gz WRNAOSYVEVZNTK-MRXNPFEDSA-N 1 1 304.390 3.437 20 5 DGBDMO C[C@@H](O)C[N@@H+](Cc1ccc(-c2cccc([N+](=O)[O-])c2)o1)C1CC1 ZINC000594616138 401138179 /nfs/dbraw/zinc/13/81/79/401138179.db2.gz SEVSYUBQRWFCGI-GFCCVEGCSA-N 1 1 316.357 3.200 20 5 DGBDMO O=[N+]([O-])c1ccn(CC[N@H+]2CCCC[C@@H]2c2ccccc2)n1 ZINC000273837761 401141149 /nfs/dbraw/zinc/14/11/49/401141149.db2.gz INRVMHUHUKIUTK-OAHLLOKOSA-N 1 1 300.362 3.019 20 5 DGBDMO CO[C@@]1(C)CCC[N@@H+](CCCOc2ccc([N+](=O)[O-])cc2)CC1 ZINC000280346354 401151646 /nfs/dbraw/zinc/15/16/46/401151646.db2.gz IRWZGDYPMPOIDS-KRWDZBQOSA-N 1 1 322.405 3.255 20 5 DGBDMO CCO[C@@H]1CCC[N@@H+](C/C(C)=C\c2cccc([N+](=O)[O-])c2)C1 ZINC000615833755 401161111 /nfs/dbraw/zinc/16/11/11/401161111.db2.gz NYNCAPGMYLWRCS-OOXMNIKJSA-N 1 1 304.390 3.499 20 5 DGBDMO COc1ccc(OCC[N@@H+](C)Cc2ccc([N+](=O)[O-])cc2)cc1 ZINC000061784236 401165345 /nfs/dbraw/zinc/16/53/45/401165345.db2.gz WFJAQNNMOLTFMD-UHFFFAOYSA-N 1 1 316.357 3.114 20 5 DGBDMO COC[C@@H]([NH2+]Cc1ccc([N+](=O)[O-])cc1)c1cccc(OC)c1 ZINC000594970252 401214419 /nfs/dbraw/zinc/21/44/19/401214419.db2.gz WPAJNPVKHLNXCA-QGZVFWFLSA-N 1 1 316.357 3.081 20 5 DGBDMO C[N@H+](Cc1nc(-c2cccc([N+](=O)[O-])c2)no1)CC1CCCC1 ZINC000064014441 401226332 /nfs/dbraw/zinc/22/63/32/401226332.db2.gz OFKGJVQQIXXJTB-UHFFFAOYSA-N 1 1 316.361 3.267 20 5 DGBDMO COc1cc([N+](=O)[O-])ccc1[C@@H](C)[NH2+][C@@H](C)c1ccccn1 ZINC000595005739 401226779 /nfs/dbraw/zinc/22/67/79/401226779.db2.gz DLIHSPLBTKKGND-NEPJUHHUSA-N 1 1 301.346 3.410 20 5 DGBDMO COc1cc([N+](=O)[O-])ccc1[C@H](C)NCC[N@@H+](C)C1CCCC1 ZINC000595012864 401230752 /nfs/dbraw/zinc/23/07/52/401230752.db2.gz PKMXUJXLYVEDKW-ZDUSSCGKSA-N 1 1 321.421 3.128 20 5 DGBDMO CC[N@H+]1CCCC[C@@H]1CN[C@@H](C)c1ccc([N+](=O)[O-])cc1OC ZINC000595020077 401235972 /nfs/dbraw/zinc/23/59/72/401235972.db2.gz TVNIQOFMWAXOJI-DZGCQCFKSA-N 1 1 321.421 3.128 20 5 DGBDMO CCN1CCCC[C@@H]1C[NH2+][C@@H](C)c1ccc([N+](=O)[O-])cc1OC ZINC000595020077 401235975 /nfs/dbraw/zinc/23/59/75/401235975.db2.gz TVNIQOFMWAXOJI-DZGCQCFKSA-N 1 1 321.421 3.128 20 5 DGBDMO CCC(=O)c1ccc(NC[C@H]2CCC[N@@H+]2CC)c([N+](=O)[O-])c1 ZINC000359374146 286295306 /nfs/dbraw/zinc/29/53/06/286295306.db2.gz WKCXFTUNEBGALM-CYBMUJFWSA-N 1 1 305.378 3.084 20 5 DGBDMO CCOc1cc(C[N@H+]2CCCC[C@@H](COC)C2)ccc1[N+](=O)[O-] ZINC000365194738 287108620 /nfs/dbraw/zinc/10/86/20/287108620.db2.gz YPRMLPCCBCFXSU-OAHLLOKOSA-N 1 1 322.405 3.242 20 5 DGBDMO C[C@H]1CSCC[N@@H+](CCCOc2ccc([N+](=O)[O-])cc2)C1 ZINC000190468285 432160933 /nfs/dbraw/zinc/16/09/33/432160933.db2.gz JRWYPLQUFRCDCK-CYBMUJFWSA-N 1 1 310.419 3.049 20 5 DGBDMO O=[N+]([O-])c1cc(Cl)ccc1C[N@H+]1CC[C@H]2OCCC[C@H]2C1 ZINC000246739115 432161494 /nfs/dbraw/zinc/16/14/94/432161494.db2.gz PAVFIQWESXXNSX-SWLSCSKDSA-N 1 1 310.781 3.249 20 5 DGBDMO C[N@H+](Cc1ccccc1[N+](=O)[O-])C[C@H](O)CCc1ccccc1 ZINC000182193787 432165463 /nfs/dbraw/zinc/16/54/63/432165463.db2.gz VNCVLBOSEQVSKC-QGZVFWFLSA-N 1 1 314.385 3.020 20 5 DGBDMO C[N@H+](Cc1cccc(Cl)c1)C[C@@H](O)c1cccc([N+](=O)[O-])c1 ZINC000269675879 432194602 /nfs/dbraw/zinc/19/46/02/432194602.db2.gz CESXRBHDMMRXDI-MRXNPFEDSA-N 1 1 320.776 3.414 20 5 DGBDMO C[C@H](O)C[N@@H+](C)Cc1ccc(-c2ccc([N+](=O)[O-])cc2)s1 ZINC000130676677 196101031 /nfs/dbraw/zinc/10/10/31/196101031.db2.gz YHMHXIMQCSIEQH-NSHDSACASA-N 1 1 306.387 3.136 20 5 DGBDMO Cc1nccn1CCC[N@H+](C)Cc1ccc(Cl)c([N+](=O)[O-])c1 ZINC000130908335 196121556 /nfs/dbraw/zinc/12/15/56/196121556.db2.gz FEGDMFVNDJFYJC-UHFFFAOYSA-N 1 1 322.796 3.275 20 5 DGBDMO Cc1c(C[N@@H+](C)CCC(=O)OC(C)(C)C)cccc1[N+](=O)[O-] ZINC000150947432 432205389 /nfs/dbraw/zinc/20/53/89/432205389.db2.gz AQXSENMXCYRNPF-UHFFFAOYSA-N 1 1 308.378 3.067 20 5 DGBDMO Cc1cnn([C@H]2CCC[N@H+]([C@H](C)c3cccc([N+](=O)[O-])c3)C2)c1 ZINC000247254068 432216552 /nfs/dbraw/zinc/21/65/52/432216552.db2.gz UFEXACGFIGGVCR-PBHICJAKSA-N 1 1 314.389 3.498 20 5 DGBDMO Cc1ccc([N+](=O)[O-])cc1[C@H](C)[N@H+]1CC[C@H](c2cnn(C)c2)C1 ZINC000182794413 432228440 /nfs/dbraw/zinc/22/84/40/432228440.db2.gz WVSUUZPVYSVWNO-KBPBESRZSA-N 1 1 314.389 3.187 20 5 DGBDMO Cc1cccc([N+](=O)[O-])c1N1CCC[C@@H](Cc2[nH+]ccn2C)C1 ZINC000132550250 196264825 /nfs/dbraw/zinc/26/48/25/196264825.db2.gz FAZNHOCLHMEQAN-AWEZNQCLSA-N 1 1 314.389 3.096 20 5 DGBDMO Cc1ccc(C)c([C@H]2CCC[N@H+]2CCn2cc([N+](=O)[O-])cn2)c1 ZINC000133967758 196350663 /nfs/dbraw/zinc/35/06/63/196350663.db2.gz OSOYQARNVHXNTE-QGZVFWFLSA-N 1 1 314.389 3.245 20 5 DGBDMO C[C@@H]1Cc2c([nH+]cn2Cc2ccc([N+](=O)[O-])c(F)c2)C[C@@H]1C ZINC000295672070 225107583 /nfs/dbraw/zinc/10/75/83/225107583.db2.gz BJZQXOFKCKVPGD-WDEREUQCSA-N 1 1 303.337 3.350 20 5 DGBDMO Cc1cc(NCC2CC[NH+](C)CC2)c2cc([N+](=O)[O-])ccc2n1 ZINC000302091668 230090025 /nfs/dbraw/zinc/09/00/25/230090025.db2.gz PUYVWICFSCKZRI-UHFFFAOYSA-N 1 1 314.389 3.205 20 5 DGBDMO Cc1cc(NCC[NH+]2CCCCC2)c2cc([N+](=O)[O-])ccc2n1 ZINC000302138048 230116157 /nfs/dbraw/zinc/11/61/57/230116157.db2.gz DPVBAIVGOVTXMC-UHFFFAOYSA-N 1 1 314.389 3.349 20 5 DGBDMO C[C@@H]1[C@@H](Nc2nccc3ccc([N+](=O)[O-])cc32)CCC[N@H+]1C ZINC000413249844 230166711 /nfs/dbraw/zinc/16/67/11/230166711.db2.gz UBBYIXJODSACBC-ABAIWWIYSA-N 1 1 300.362 3.038 20 5 DGBDMO Cc1cccc(NCCCC[N@H+]2C[C@@H](C)O[C@@H](C)C2)c1[N+](=O)[O-] ZINC000302490415 230268215 /nfs/dbraw/zinc/26/82/15/230268215.db2.gz JVMNPEXGUXBHGS-GASCZTMLSA-N 1 1 321.421 3.205 20 5 DGBDMO CC[C@H](C)[N@@H+](C)Cc1cn(C)nc1-c1ccc([N+](=O)[O-])cc1 ZINC000179322536 263556423 /nfs/dbraw/zinc/55/64/23/263556423.db2.gz ZQQRXKOXVJOROY-LBPRGKRZSA-N 1 1 302.378 3.226 20 5 DGBDMO CCC(CC)C[N@@H+](CC)CC(=O)N(C)c1ccc([N+](=O)[O-])cc1 ZINC000303561544 263890595 /nfs/dbraw/zinc/89/05/95/263890595.db2.gz AFEMOMJQWQXRJD-UHFFFAOYSA-N 1 1 321.421 3.316 20 5 DGBDMO CSCC[C@H](C)[N@@H+](C)CCCOc1ccc([N+](=O)[O-])cc1 ZINC000346526166 264046750 /nfs/dbraw/zinc/04/67/50/264046750.db2.gz XPDLSUKRWQSCRA-ZDUSSCGKSA-N 1 1 312.435 3.437 20 5 DGBDMO O=[N+]([O-])c1cnn(CC[N@H+]2CCCC3(CCCCC3)CC2)c1 ZINC000346630739 264068888 /nfs/dbraw/zinc/06/88/88/264068888.db2.gz CKHRQPGSPFOYTH-UHFFFAOYSA-N 1 1 306.410 3.228 20 5 DGBDMO C[C@@H]1C[C@@H](C[NH3+])CN1Cc1ccc(-c2ccc([N+](=O)[O-])cc2)o1 ZINC000346678640 264078796 /nfs/dbraw/zinc/07/87/96/264078796.db2.gz MKOAXQBODSROGM-OLZOCXBDSA-N 1 1 315.373 3.024 20 5 DGBDMO O=[N+]([O-])c1cccc(OCC[N@H+]2CCC[C@@H]2c2cccnc2)c1 ZINC000346977384 264132098 /nfs/dbraw/zinc/13/20/98/264132098.db2.gz TUJFCAWJGGATPY-QGZVFWFLSA-N 1 1 313.357 3.206 20 5 DGBDMO CCCN(C/C=C\c1ccccc1[N+](=O)[O-])C1CC[NH2+]CC1 ZINC000347017045 264141173 /nfs/dbraw/zinc/14/11/73/264141173.db2.gz DGPKIYOTFJMDON-ALCCZGGFSA-N 1 1 303.406 3.072 20 5 DGBDMO [NH3+]C[C@@H]1CCCN(Cc2ccc(-c3cccc([N+](=O)[O-])c3)o2)C1 ZINC000347113228 264159001 /nfs/dbraw/zinc/15/90/01/264159001.db2.gz QZPMPJGLYFBQCK-ZDUSSCGKSA-N 1 1 315.373 3.026 20 5 DGBDMO C[C@@]1(F)CC[N@@H+](CCc2ncc(-c3cccc([N+](=O)[O-])c3)o2)C1 ZINC000347336325 264199647 /nfs/dbraw/zinc/19/96/47/264199647.db2.gz ATEUOLHWEDADCX-MRXNPFEDSA-N 1 1 319.336 3.226 20 5 DGBDMO C[C@H]1CC[C@H](c2ccccc2)[N@@H+](CCn2ccc([N+](=O)[O-])n2)C1 ZINC000352791831 265169559 /nfs/dbraw/zinc/16/95/59/265169559.db2.gz JGZOKBMKTSGASA-GOEBONIOSA-N 1 1 314.389 3.265 20 5 DGBDMO CCc1nnc(C[NH2+]C/C(C)=C\c2cccc([N+](=O)[O-])c2)s1 ZINC000353063683 265284915 /nfs/dbraw/zinc/28/49/15/265284915.db2.gz UYVCPVDPLQVKAX-XFFZJAGNSA-N 1 1 318.402 3.202 20 5 DGBDMO C[C@@H]([NH2+]Cc1csc([N+](=O)[O-])c1)c1ccc2n[nH]cc2c1 ZINC000353105324 265299051 /nfs/dbraw/zinc/29/90/51/265299051.db2.gz ASXUEGRCOOPITE-SECBINFHSA-N 1 1 302.359 3.383 20 5 DGBDMO C[N@@H+](Cc1ccc(-c2cccc([N+](=O)[O-])c2)o1)CC1(O)CCC1 ZINC000355360921 266050461 /nfs/dbraw/zinc/05/04/61/266050461.db2.gz GPVDBEGEALSMOL-UHFFFAOYSA-N 1 1 316.357 3.202 20 5 DGBDMO C[N@H+]1CCCC12CCN(c1ccc([N+](=O)[O-])cc1Cl)CC2 ZINC000367640975 271057331 /nfs/dbraw/zinc/05/73/31/271057331.db2.gz BDEWJPTVSRFNQW-UHFFFAOYSA-N 1 1 309.797 3.313 20 5 DGBDMO C[N@H+]1CCCC12CCN(c1cc(Cl)ccc1[N+](=O)[O-])CC2 ZINC000367843143 271085352 /nfs/dbraw/zinc/08/53/52/271085352.db2.gz MCZVCLBMQYYZQZ-UHFFFAOYSA-N 1 1 309.797 3.313 20 5 DGBDMO COCC[N@H+](Cc1ccc(Cl)cc1[N+](=O)[O-])CC(C)C ZINC000341161667 274025158 /nfs/dbraw/zinc/02/51/58/274025158.db2.gz HJIOKPUIMJRFQU-UHFFFAOYSA-N 1 1 300.786 3.353 20 5 DGBDMO C[C@@H](C(=O)Nc1ccc([N+](=O)[O-])cc1)[N@H+]1CC(C)(C)C[C@H]1C ZINC000412041443 274203099 /nfs/dbraw/zinc/20/30/99/274203099.db2.gz LIJNQRSDDUEJHY-NEPJUHHUSA-N 1 1 305.378 3.042 20 5 DGBDMO C[C@@H](C(=O)Nc1ccc([N+](=O)[O-])cc1)[N@H+]1CCC[C@@H](C2CC2)C1 ZINC000344001330 274203213 /nfs/dbraw/zinc/20/32/13/274203213.db2.gz YLUPZYRCPYNTCH-GXTWGEPZSA-N 1 1 317.389 3.044 20 5 DGBDMO C[C@@H](CNc1c2c(ccc1[N+](=O)[O-])NCC2)[N@H+]1CCC[C@@H](C)C1 ZINC000302855899 274226326 /nfs/dbraw/zinc/22/63/26/274226326.db2.gz RXCNUQLWUBJTHU-OLZOCXBDSA-N 1 1 318.421 3.095 20 5 DGBDMO C[C@@H](Cc1ccccc1[N+](=O)[O-])[NH2+]C1CCN(C(C)(C)C)CC1 ZINC000449091277 274231406 /nfs/dbraw/zinc/23/14/06/274231406.db2.gz POVQOOQRWSLEAG-AWEZNQCLSA-N 1 1 319.449 3.378 20 5 DGBDMO C[C@@H]1CCCC[N@H+]1C[C@H]1CCCN(c2ccc([N+](=O)[O-])nc2)C1 ZINC000344416326 274286590 /nfs/dbraw/zinc/28/65/90/274286590.db2.gz IMWUIBGAIJTNRH-HUUCEWRRSA-N 1 1 318.421 3.081 20 5 DGBDMO C[C@@H]1CN(Cc2ccc(Cl)cc2[N+](=O)[O-])CC[N@H+](C2CC2)C1 ZINC000451090752 274353995 /nfs/dbraw/zinc/35/39/95/274353995.db2.gz UOUJWOYCWDWZPN-GFCCVEGCSA-N 1 1 323.824 3.164 20 5 DGBDMO O=[N+]([O-])c1ccc2c(c1)[C@H](N[C@@H]1CC[N@H+]3CCCC[C@@H]13)CCC2 ZINC000278222875 275038450 /nfs/dbraw/zinc/03/84/50/275038450.db2.gz JFVSQYDKXNJGFC-KURKYZTESA-N 1 1 315.417 3.189 20 5 DGBDMO O=[N+]([O-])c1ccc2c(c1)[C@H]([NH2+][C@@H]1CCN3CCCC[C@@H]13)CCC2 ZINC000278222875 275038451 /nfs/dbraw/zinc/03/84/51/275038451.db2.gz JFVSQYDKXNJGFC-KURKYZTESA-N 1 1 315.417 3.189 20 5 DGBDMO O=[N+]([O-])c1cccc(C[N@H+](CCO)[C@H]2CCc3ccccc32)c1 ZINC000114467781 275039184 /nfs/dbraw/zinc/03/91/84/275039184.db2.gz YLUXODMMXYKEPC-SFHVURJKSA-N 1 1 312.369 3.077 20 5 DGBDMO CCC[C@@]1(CO)CC[N@H+]([C@@H](C)c2cc([N+](=O)[O-])ccc2C)C1 ZINC000288671820 276036795 /nfs/dbraw/zinc/03/67/95/276036795.db2.gz CGTQAHWNXZTHTF-WMLDXEAASA-N 1 1 306.406 3.449 20 5 DGBDMO C[N@H+]1CC[C@H]2[C@H](CCCN2c2ccc([N+](=O)[O-])cc2Cl)C1 ZINC000301744515 277183395 /nfs/dbraw/zinc/18/33/95/277183395.db2.gz ZXXCXQSEVJHVTB-RISCZKNCSA-N 1 1 309.797 3.169 20 5 DGBDMO COc1cc(C[N@@H+]2CC(C)(C)O[C@@H]3CCC[C@H]32)ccc1[N+](=O)[O-] ZINC000440958154 277376527 /nfs/dbraw/zinc/37/65/27/277376527.db2.gz MUIZWJPPNJXWMY-UKRRQHHQSA-N 1 1 320.389 3.135 20 5 DGBDMO COc1cc(C[N@H+]2CC(C)(C)O[C@@H]3CCC[C@H]32)ccc1[N+](=O)[O-] ZINC000440958154 277376528 /nfs/dbraw/zinc/37/65/28/277376528.db2.gz MUIZWJPPNJXWMY-UKRRQHHQSA-N 1 1 320.389 3.135 20 5 DGBDMO CC(C)c1ccc(C[N@H+]2CCC[C@@H](CO)[C@@H]2C)cc1[N+](=O)[O-] ZINC000414592980 278035670 /nfs/dbraw/zinc/03/56/70/278035670.db2.gz ZZTNTANKYAHOFN-ZFWWWQNUSA-N 1 1 306.406 3.311 20 5 DGBDMO CC[N@H+]1CCC[C@@H](CNc2ccc3ncccc3c2[N+](=O)[O-])C1 ZINC000112077786 431246681 /nfs/dbraw/zinc/24/66/81/431246681.db2.gz YFXWNKOHISEJDU-ZDUSSCGKSA-N 1 1 314.389 3.287 20 5 DGBDMO CC1(C)CCC[N@@H+](CCC(=O)Nc2ccccc2[N+](=O)[O-])C1 ZINC000112702464 431298045 /nfs/dbraw/zinc/29/80/45/431298045.db2.gz YGRDGGYSZVHQME-UHFFFAOYSA-N 1 1 305.378 3.045 20 5 DGBDMO COCC[N@@H+](CCc1ccc([N+](=O)[O-])cc1)Cc1ccccc1 ZINC000071950037 431320340 /nfs/dbraw/zinc/32/03/40/431320340.db2.gz JFTJPKCQBSPGIJ-UHFFFAOYSA-N 1 1 314.385 3.286 20 5 DGBDMO C[C@@H](CNc1ccc([N+](=O)[O-])cc1[N+](=O)[O-])[N@H+]1CCC[C@@H](C)C1 ZINC000071954205 431322577 /nfs/dbraw/zinc/32/25/77/431322577.db2.gz HJMLYVYMTYGLNI-NEPJUHHUSA-N 1 1 322.365 3.035 20 5 DGBDMO CC[N@@H+](CC(=O)Nc1ccc([N+](=O)[O-])cc1C)C1CCCCC1 ZINC000072948504 431360593 /nfs/dbraw/zinc/36/05/93/431360593.db2.gz ZOBIVWIBMSQUQF-UHFFFAOYSA-N 1 1 319.405 3.496 20 5 DGBDMO Cc1ccc([N+](=O)[O-])cc1NC(=O)C[N@H+](C)[C@@H]1CCC[C@H](C)C1 ZINC000026468691 431675733 /nfs/dbraw/zinc/67/57/33/431675733.db2.gz ALTSKPGOPXCWJN-GXTWGEPZSA-N 1 1 319.405 3.352 20 5 DGBDMO C[C@@H](Cc1ccc(O)cc1)[N@@H+](C)Cc1ccccc1[N+](=O)[O-] ZINC000119392896 431687588 /nfs/dbraw/zinc/68/75/88/431687588.db2.gz MMBFQXPESAWABW-ZDUSSCGKSA-N 1 1 300.358 3.363 20 5 DGBDMO CCCC[N@@H+](CC)Cc1nc(-c2ccc([N+](=O)[O-])cc2)no1 ZINC000079955017 431754433 /nfs/dbraw/zinc/75/44/33/431754433.db2.gz AFPMMHLVDNVKBW-UHFFFAOYSA-N 1 1 304.350 3.267 20 5 DGBDMO Cc1ccc([N+](=O)[O-])cc1NC(=O)C[N@H+]([C@@H](C)C1CC1)C1CC1 ZINC000031654221 431762332 /nfs/dbraw/zinc/76/23/32/431762332.db2.gz UQGCHCYTGSFZHD-LBPRGKRZSA-N 1 1 317.389 3.105 20 5 DGBDMO Cc1c(NC(=O)[C@H](C)[N@H+]2CCC3(CCC3)C2)cccc1[N+](=O)[O-] ZINC000123590672 431869128 /nfs/dbraw/zinc/86/91/28/431869128.db2.gz PBQNQDANVKKERO-ZDUSSCGKSA-N 1 1 317.389 3.106 20 5 DGBDMO C[C@H](O)C[C@H]1CCCC[N@H+]1Cc1c(Cl)cccc1[N+](=O)[O-] ZINC000123718343 431872598 /nfs/dbraw/zinc/87/25/98/431872598.db2.gz IJEIRVFQMYWXKU-NWDGAFQWSA-N 1 1 312.797 3.374 20 5 DGBDMO O=[N+]([O-])c1ccc(-c2nc(C[N@H+]3C[C@@H]4CCC[C@@H]4C3)co2)cc1 ZINC000089909459 431884900 /nfs/dbraw/zinc/88/49/00/431884900.db2.gz PHUNWKYWULEQEP-OKILXGFUSA-N 1 1 313.357 3.482 20 5 DGBDMO COc1ncccc1C[NH2+][C@H](C)c1ccc(C)c([N+](=O)[O-])c1 ZINC000124531206 431897087 /nfs/dbraw/zinc/89/70/87/431897087.db2.gz CWRIAAAUDCCZDF-GFCCVEGCSA-N 1 1 301.346 3.158 20 5 DGBDMO Cc1cccc([N+](=O)[O-])c1NC(=O)C[N@@H+]1CC[C@H](C)C[C@H](C)C1 ZINC000127568057 431975630 /nfs/dbraw/zinc/97/56/30/431975630.db2.gz MSOHXBQVMJFKKV-STQMWFEESA-N 1 1 319.405 3.210 20 5 DGBDMO CC[C@@H]1CCC[N@@H+](Cc2nc(-c3ccc([N+](=O)[O-])cc3)no2)C1 ZINC000052644354 431957503 /nfs/dbraw/zinc/95/75/03/431957503.db2.gz WEJZSLORFSKXTB-GFCCVEGCSA-N 1 1 316.361 3.267 20 5 DGBDMO Cc1ccc2nc(C[NH2+][C@@H](C)c3cccc([N+](=O)[O-])c3)cn2c1 ZINC000173386953 432275691 /nfs/dbraw/zinc/27/56/91/432275691.db2.gz CGUMRRKIRMKGQP-ZDUSSCGKSA-N 1 1 310.357 3.402 20 5 DGBDMO C[C@H](c1nnc(-c2ccc([N+](=O)[O-])cc2)o1)[N@H+]1CC[C@@H](C)[C@H]1C ZINC000248343669 432279834 /nfs/dbraw/zinc/27/98/34/432279834.db2.gz KPFUVMQPNUPCGJ-IJLUTSLNSA-N 1 1 316.361 3.436 20 5 DGBDMO O=[N+]([O-])c1ccccc1C[N@@H+]1CCC[C@H]1C[C@H](O)c1ccco1 ZINC000151936373 432291133 /nfs/dbraw/zinc/29/11/33/432291133.db2.gz NEIIVNYPBMWVPH-HOCLYGCPSA-N 1 1 316.357 3.276 20 5 DGBDMO C[N@H+]1CCC[C@H]2CN(Cc3ccc([N+](=O)[O-])cc3Cl)CC[C@H]21 ZINC000248439129 432292917 /nfs/dbraw/zinc/29/29/17/432292917.db2.gz UBIQHOLNJAJIGU-XJKSGUPXSA-N 1 1 323.824 3.164 20 5 DGBDMO CC(C)(C)n1cc(C[NH2+]Cc2ccc([N+](=O)[O-])cc2Cl)cn1 ZINC000183806984 432328313 /nfs/dbraw/zinc/32/83/13/432328313.db2.gz YTWLLDAEYTXCOY-UHFFFAOYSA-N 1 1 322.796 3.490 20 5 DGBDMO CC[C@H](CSc1ccccc1[N+](=O)[O-])[NH2+]CCCN(C)C ZINC000271106619 432330384 /nfs/dbraw/zinc/33/03/84/432330384.db2.gz GHGORYSYAOAHJE-CYBMUJFWSA-N 1 1 311.451 3.007 20 5 DGBDMO C[C@H](CNc1ccc([N+](=O)[O-])cc1[N+](=O)[O-])[N@H+]1CCC[C@H](C)C1 ZINC000252108402 432375401 /nfs/dbraw/zinc/37/54/01/432375401.db2.gz HJMLYVYMTYGLNI-NWDGAFQWSA-N 1 1 322.365 3.035 20 5 DGBDMO CC[C@@H]1C[N@@H+](Cc2ccc(-c3ccc([N+](=O)[O-])cc3)o2)C[C@@H]1O ZINC000271332194 432375728 /nfs/dbraw/zinc/37/57/28/432375728.db2.gz NDOIQPLCYYJKSP-WBMJQRKESA-N 1 1 316.357 3.058 20 5 DGBDMO C[C@H](c1cccc([N+](=O)[O-])c1)[N@H+]1CC[C@@H](C)[C@H](n2ccnc2)C1 ZINC000252663864 432385611 /nfs/dbraw/zinc/38/56/11/432385611.db2.gz JKVGQHSLTMAJRD-CKEIUWERSA-N 1 1 314.389 3.435 20 5 DGBDMO CC[C@H]1CC[C@H](C)[N@H+]1Cc1nc(-c2ccc([N+](=O)[O-])cc2)no1 ZINC000271469489 432402321 /nfs/dbraw/zinc/40/23/21/432402321.db2.gz FYCKZVSMUHWYDQ-AAEUAGOBSA-N 1 1 316.361 3.408 20 5 DGBDMO COc1cc(C[N@@H+]2CCC[C@@H]2CSC)c([N+](=O)[O-])cc1F ZINC000184238648 432369642 /nfs/dbraw/zinc/36/96/42/432369642.db2.gz ZCNWBCOQGIUGFX-LLVKDONJSA-N 1 1 314.382 3.070 20 5 DGBDMO COc1cc(C[N@H+]2CCC[C@@H]2CSC)c([N+](=O)[O-])cc1F ZINC000184238648 432369646 /nfs/dbraw/zinc/36/96/46/432369646.db2.gz ZCNWBCOQGIUGFX-LLVKDONJSA-N 1 1 314.382 3.070 20 5 DGBDMO CC[N@H+](Cc1cn(C)nc1-c1ccc([N+](=O)[O-])cc1)CC(C)C ZINC000153687408 432434257 /nfs/dbraw/zinc/43/42/57/432434257.db2.gz ZKKKYUHLZDWFAF-UHFFFAOYSA-N 1 1 316.405 3.473 20 5 DGBDMO CC(C)[N@@H+](CCO[C@H]1CCCCO1)Cc1ccc([N+](=O)[O-])cc1 ZINC000193045303 432441801 /nfs/dbraw/zinc/44/18/01/432441801.db2.gz WGWPVXIBFQEYBS-KRWDZBQOSA-N 1 1 322.405 3.348 20 5 DGBDMO CC(C)[N@@H+](Cc1ccc(CO)cc1)Cc1ccc([N+](=O)[O-])cc1 ZINC000272305685 432480120 /nfs/dbraw/zinc/48/01/20/432480120.db2.gz JUKAAJSIQPZIGS-UHFFFAOYSA-N 1 1 314.385 3.498 20 5 DGBDMO CC[C@@H](C)[N@@H+](CCn1ccc([N+](=O)[O-])n1)Cc1ccccc1 ZINC000176195551 432500342 /nfs/dbraw/zinc/50/03/42/432500342.db2.gz XPVSCZIYTAMFDE-CQSZACIVSA-N 1 1 302.378 3.092 20 5 DGBDMO C[C@@H](c1cccc(Cl)c1)[N@@H+](C)CCn1ccc([N+](=O)[O-])n1 ZINC000176212682 432501434 /nfs/dbraw/zinc/50/14/34/432501434.db2.gz VXXXNWYZBDFEQM-NSHDSACASA-N 1 1 308.769 3.138 20 5 DGBDMO Cc1ccc(C[N@H+](CCn2ccc([N+](=O)[O-])n2)C(C)C)s1 ZINC000176217555 432501648 /nfs/dbraw/zinc/50/16/48/432501648.db2.gz QCGHMDVZPGGHQH-UHFFFAOYSA-N 1 1 308.407 3.072 20 5 DGBDMO Cc1cc([N+](=O)[O-])cnc1N[C@@H](C)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC000272656205 432532693 /nfs/dbraw/zinc/53/26/93/432532693.db2.gz BFZYOTDAKKKGET-UONOGXRCSA-N 1 1 318.421 3.363 20 5 DGBDMO CCOC(=O)[C@@]1(C(C)C)CC[N@@H+](Cc2cccc([N+](=O)[O-])c2)C1 ZINC000194871613 432581869 /nfs/dbraw/zinc/58/18/69/432581869.db2.gz XAHALWJIULMWOH-KRWDZBQOSA-N 1 1 320.389 3.006 20 5 DGBDMO CC[C@H](C)C[N@@H+](CC)Cc1cc([N+](=O)[O-])cc2c1OCOC2 ZINC000177860997 432668144 /nfs/dbraw/zinc/66/81/44/432668144.db2.gz MLVQIZDTWIXXSY-LBPRGKRZSA-N 1 1 308.378 3.329 20 5 DGBDMO CC(C)[N@@H+](CCOCC(F)F)Cc1ccc([N+](=O)[O-])cc1 ZINC000188879371 432750947 /nfs/dbraw/zinc/75/09/47/432750947.db2.gz CWLXOOSOBFVUPS-UHFFFAOYSA-N 1 1 302.321 3.087 20 5 DGBDMO CCOc1ccc([N+](=O)[O-])cc1C[N@H+]1CCC[C@H]1CSC ZINC000178566491 432753774 /nfs/dbraw/zinc/75/37/74/432753774.db2.gz ORUNZDFXCOUTLY-AWEZNQCLSA-N 1 1 310.419 3.321 20 5 DGBDMO CCC[N@@H+](CCO)Cc1ccc(-c2ccc([N+](=O)[O-])cc2)o1 ZINC000161208589 432766851 /nfs/dbraw/zinc/76/68/51/432766851.db2.gz ORSRXWIRPASRSP-UHFFFAOYSA-N 1 1 304.346 3.059 20 5 DGBDMO Cc1cc([N+](=O)[O-])ccc1NC(=O)C[N@H+](C)[C@H]1CCC[C@@H](C)C1 ZINC000245448161 432832105 /nfs/dbraw/zinc/83/21/05/432832105.db2.gz MQFOVDRXUHASSV-OCCSQVGLSA-N 1 1 319.405 3.352 20 5 DGBDMO C[C@@H](c1ccccc1)[N@@H+](CCn1cc([N+](=O)[O-])cn1)C1CC1 ZINC000266912142 432797712 /nfs/dbraw/zinc/79/77/12/432797712.db2.gz LTJCBFDCGCBGDQ-ZDUSSCGKSA-N 1 1 300.362 3.017 20 5 DGBDMO COc1cc(C[N@H+]2CCC[C@@H]3CCC[C@H]32)c([N+](=O)[O-])cc1OC ZINC000245551296 432843718 /nfs/dbraw/zinc/84/37/18/432843718.db2.gz BAZLGCPLFXBVMB-GXTWGEPZSA-N 1 1 320.389 3.377 20 5 DGBDMO C[C@@H]1C[C@@H](c2ccccc2)[C@H](C)[N@H+]1CCn1ccc([N+](=O)[O-])n1 ZINC000296912051 432938406 /nfs/dbraw/zinc/93/84/06/432938406.db2.gz WIWKIBLGAMDRLF-IJEWVQPXSA-N 1 1 314.389 3.058 20 5 DGBDMO CCCC[N@@H+](C)C[C@H](C)Nc1ncc(Cl)cc1[N+](=O)[O-] ZINC000341129540 432969927 /nfs/dbraw/zinc/96/99/27/432969927.db2.gz TXFMFLYSLOSXHB-JTQLQIEISA-N 1 1 300.790 3.176 20 5 DGBDMO Cc1cnn([C@H]2CC[N@H+]([C@@H](C)c3ccccc3[N+](=O)[O-])C2)c1 ZINC000289988914 432980076 /nfs/dbraw/zinc/98/00/76/432980076.db2.gz SFYSBRLNNWPAKI-KBPBESRZSA-N 1 1 300.362 3.108 20 5 DGBDMO Cc1cnn([C@@H]2CC[N@H+]([C@@H](C)c3ccccc3[N+](=O)[O-])C2)c1 ZINC000289988924 432980943 /nfs/dbraw/zinc/98/09/43/432980943.db2.gz SFYSBRLNNWPAKI-UONOGXRCSA-N 1 1 300.362 3.108 20 5 DGBDMO COCC[C@@H]1CCCC[N@@H+](Cc2ccc([N+](=O)[O-])cc2F)C1 ZINC000332372730 433002305 /nfs/dbraw/zinc/00/23/05/433002305.db2.gz XGBGNTWTBKHUNK-ZDUSSCGKSA-N 1 1 310.369 3.373 20 5 DGBDMO CC(C)C1CC[NH+](Cc2nc3cc([N+](=O)[O-])ccc3[nH]2)CC1 ZINC000332202840 432984539 /nfs/dbraw/zinc/98/45/39/432984539.db2.gz DOYYKBRVCZSFMM-UHFFFAOYSA-N 1 1 302.378 3.339 20 5 DGBDMO C[C@H](c1ccccc1[N+](=O)[O-])[N@@H+]1CC[C@@H](n2cc(Cl)cn2)C1 ZINC000290077429 432987591 /nfs/dbraw/zinc/98/75/91/432987591.db2.gz YTLBCDUKJSCGHX-DGCLKSJQSA-N 1 1 320.780 3.453 20 5 DGBDMO C[C@H](c1ccccc1[N+](=O)[O-])[N@H+]1CC[C@@H](n2cc(Cl)cn2)C1 ZINC000290077429 432987594 /nfs/dbraw/zinc/98/75/94/432987594.db2.gz YTLBCDUKJSCGHX-DGCLKSJQSA-N 1 1 320.780 3.453 20 5 DGBDMO Cc1cccc([N+](=O)[O-])c1NC(=O)C[N@@H+]1CC[C@@H](C)C[C@@H](C)C1 ZINC000332335375 432998810 /nfs/dbraw/zinc/99/88/10/432998810.db2.gz MSOHXBQVMJFKKV-CHWSQXEVSA-N 1 1 319.405 3.210 20 5 DGBDMO Cc1ccc([C@H](C)[NH2+]Cc2cnc([C@H](C)O)s2)cc1[N+](=O)[O-] ZINC000290209940 433013924 /nfs/dbraw/zinc/01/39/24/433013924.db2.gz DSRCZYJTCQRWOX-QWRGUYRKSA-N 1 1 321.402 3.264 20 5 DGBDMO Cc1ccc([C@H](C)[N@H+]2CCC[C@]3(CCOC3)C2)cc1[N+](=O)[O-] ZINC000453381078 433133466 /nfs/dbraw/zinc/13/34/66/433133466.db2.gz RDYBBYWOAHQBPQ-YOEHRIQHSA-N 1 1 304.390 3.467 20 5 DGBDMO CC[C@@H]([NH2+]Cc1ncccc1OC)c1cccc([N+](=O)[O-])c1 ZINC000453382829 433141088 /nfs/dbraw/zinc/14/10/88/433141088.db2.gz ZQVUEKIQWAQMNX-CQSZACIVSA-N 1 1 301.346 3.239 20 5 DGBDMO Cc1c([C@@H](C)[N@H+]2CCC[C@@]3(CCOC3)C2)cccc1[N+](=O)[O-] ZINC000453385843 433144095 /nfs/dbraw/zinc/14/40/95/433144095.db2.gz UVFMHTPMYXHMMQ-RHSMWYFYSA-N 1 1 304.390 3.467 20 5 DGBDMO Cc1ccc([N+](=O)[O-])c(N2CC[C@@H](C[N@@H+](C)CC3CC3)C2)c1 ZINC000447075707 433151438 /nfs/dbraw/zinc/15/14/38/433151438.db2.gz HFWVNTRNRMLVON-HNNXBMFYSA-N 1 1 303.406 3.071 20 5 DGBDMO COc1cccnc1C[NH2+][C@H](C)c1ccc(C)c([N+](=O)[O-])c1 ZINC000453346269 433109988 /nfs/dbraw/zinc/10/99/88/433109988.db2.gz BIHCAXGJYMJFPN-GFCCVEGCSA-N 1 1 301.346 3.158 20 5 DGBDMO CC1=C(C)C[N@H+](Cc2nc(-c3ccc([N+](=O)[O-])cc3)no2)CC1 ZINC000280833561 433192104 /nfs/dbraw/zinc/19/21/04/433192104.db2.gz WGEWYWJWCQGOFV-UHFFFAOYSA-N 1 1 314.345 3.187 20 5 DGBDMO CC1=C(C)C[N@@H+](Cc2nc(-c3ccc([N+](=O)[O-])cc3)no2)CC1 ZINC000280833561 433192115 /nfs/dbraw/zinc/19/21/15/433192115.db2.gz WGEWYWJWCQGOFV-UHFFFAOYSA-N 1 1 314.345 3.187 20 5 DGBDMO CC[N@@H+](CCOc1ccc(OC)cc1[N+](=O)[O-])CC1CCC1 ZINC000361481395 433197661 /nfs/dbraw/zinc/19/76/61/433197661.db2.gz MLEMYAPERISZBO-UHFFFAOYSA-N 1 1 308.378 3.104 20 5 DGBDMO COc1ccc(C[NH2+]C(C)(C)c2ccccc2[N+](=O)[O-])cn1 ZINC000291700125 433316969 /nfs/dbraw/zinc/31/69/69/433316969.db2.gz KCGMXIDVBIZBSB-UHFFFAOYSA-N 1 1 301.346 3.023 20 5 DGBDMO C[N@@H+]1CCCC(C)(C)[C@@H]1CNC/C=C/c1ccccc1[N+](=O)[O-] ZINC000447906286 433317032 /nfs/dbraw/zinc/31/70/32/433317032.db2.gz XAVBVDLJAXVVLP-NADMHLTPSA-N 1 1 317.433 3.318 20 5 DGBDMO C[N@H+]1CCCC(C)(C)[C@@H]1CNC/C=C/c1ccccc1[N+](=O)[O-] ZINC000447906286 433317042 /nfs/dbraw/zinc/31/70/42/433317042.db2.gz XAVBVDLJAXVVLP-NADMHLTPSA-N 1 1 317.433 3.318 20 5 DGBDMO C[N@@H+]1CCCC(C)(C)[C@@H]1CNC/C=C\c1ccccc1[N+](=O)[O-] ZINC000447906288 433318677 /nfs/dbraw/zinc/31/86/77/433318677.db2.gz XAVBVDLJAXVVLP-SKHCZCESSA-N 1 1 317.433 3.318 20 5 DGBDMO C[N@H+]1CCCC(C)(C)[C@@H]1CNC/C=C\c1ccccc1[N+](=O)[O-] ZINC000447906288 433318682 /nfs/dbraw/zinc/31/86/82/433318682.db2.gz XAVBVDLJAXVVLP-SKHCZCESSA-N 1 1 317.433 3.318 20 5 DGBDMO COc1cc(C[N@@H+]2CCc3ccc([N+](=O)[O-])cc3C2)ccc1C ZINC000447747908 433272145 /nfs/dbraw/zinc/27/21/45/433272145.db2.gz VCRJFFOHKIBEHS-UHFFFAOYSA-N 1 1 312.369 3.470 20 5 DGBDMO COc1cc(C[N@H+]2CCc3ccc([N+](=O)[O-])cc3C2)ccc1C ZINC000447747908 433272152 /nfs/dbraw/zinc/27/21/52/433272152.db2.gz VCRJFFOHKIBEHS-UHFFFAOYSA-N 1 1 312.369 3.470 20 5 DGBDMO Cc1c(NC(=O)CC[N@@H+]2CC[C@@H](C)C[C@H]2C)cccc1[N+](=O)[O-] ZINC000425520439 433279348 /nfs/dbraw/zinc/27/93/48/433279348.db2.gz IEIDYADTFNXGIY-CHWSQXEVSA-N 1 1 319.405 3.352 20 5 DGBDMO COc1cccc(NC[C@H]2[N@@H+](C)CCCC2(C)C)c1[N+](=O)[O-] ZINC000447805499 433284456 /nfs/dbraw/zinc/28/44/56/433284456.db2.gz IUDHTWCEVDFQRS-CQSZACIVSA-N 1 1 307.394 3.136 20 5 DGBDMO C[N@H+]1CCCC(C)(C)[C@@H]1CNc1ncc([N+](=O)[O-])cc1Cl ZINC000447819160 433288647 /nfs/dbraw/zinc/28/86/47/433288647.db2.gz XJONFAZDGZPAII-LBPRGKRZSA-N 1 1 312.801 3.176 20 5 DGBDMO Cc1nn(C)cc1[C@H]1CCC[N@@H+]1Cc1ccc([N+](=O)[O-])c(F)c1 ZINC000374869765 433298170 /nfs/dbraw/zinc/29/81/70/433298170.db2.gz UFAOPPADVIZODX-OAHLLOKOSA-N 1 1 318.352 3.113 20 5 DGBDMO Cc1nn(C)cc1[C@H]1CCC[N@H+]1Cc1ccc([N+](=O)[O-])c(F)c1 ZINC000374869765 433298177 /nfs/dbraw/zinc/29/81/77/433298177.db2.gz UFAOPPADVIZODX-OAHLLOKOSA-N 1 1 318.352 3.113 20 5 DGBDMO C[C@@H]1CC[C@@H](C)[NH+]1Cc1nc(-c2ccc([N+](=O)[O-])s2)no1 ZINC000350867798 433308729 /nfs/dbraw/zinc/30/87/29/433308729.db2.gz JETCYSZSWFZHSC-RKDXNWHRSA-N 1 1 308.363 3.079 20 5 DGBDMO COCC[N@@H+](Cc1ccc([N+](=O)[O-])cc1F)[C@@H]1CC[C@@H](C)C1 ZINC000361642197 433308843 /nfs/dbraw/zinc/30/88/43/433308843.db2.gz IBJINMYBMBSUSJ-TZMCWYRMSA-N 1 1 310.369 3.371 20 5 DGBDMO O=[N+]([O-])c1cccc(F)c1NCC[N@@H+]1CCc2sccc2C1 ZINC000341842988 433312339 /nfs/dbraw/zinc/31/23/39/433312339.db2.gz RBJMVSWNVKNCCB-UHFFFAOYSA-N 1 1 321.377 3.266 20 5 DGBDMO O=[N+]([O-])c1cccc(F)c1NCC[N@H+]1CCc2sccc2C1 ZINC000341842988 433312347 /nfs/dbraw/zinc/31/23/47/433312347.db2.gz RBJMVSWNVKNCCB-UHFFFAOYSA-N 1 1 321.377 3.266 20 5 DGBDMO O=[N+]([O-])c1ccc2[nH]c(C[N@H+]3CC[C@H](C4CCCC4)C3)nc2c1 ZINC000420963849 433357751 /nfs/dbraw/zinc/35/77/51/433357751.db2.gz OIJVMMAPIWJUKF-ZDUSSCGKSA-N 1 1 314.389 3.483 20 5 DGBDMO Cc1ccc([N+](=O)[O-])c(N2CC[C@H]3[C@@H](CCC[N@H+]3C3CC3)C2)c1 ZINC000448066075 433358455 /nfs/dbraw/zinc/35/84/55/433358455.db2.gz CEWNTKRVVYPYNV-HOCLYGCPSA-N 1 1 315.417 3.356 20 5 DGBDMO Cc1ccc([C@H](C)[NH2+][C@@H](C)c2cc3n(n2)CCC3)cc1[N+](=O)[O-] ZINC000414089972 433386839 /nfs/dbraw/zinc/38/68/39/433386839.db2.gz KKRXTLAWOIPEGY-STQMWFEESA-N 1 1 314.389 3.458 20 5 DGBDMO O=[N+]([O-])c1ccc(N[C@@H]2CC[N@H+]3CCCC[C@@H]23)c2ccncc21 ZINC000301084642 433407344 /nfs/dbraw/zinc/40/73/44/433407344.db2.gz LWJOJYPMVIWPMA-WBVHZDCISA-N 1 1 312.373 3.182 20 5 DGBDMO CO[C@H]1CC[N@@H+](Cc2cc([N+](=O)[O-])ccc2OC(C)C)[C@@H](C)C1 ZINC000281860768 433411813 /nfs/dbraw/zinc/41/18/13/433411813.db2.gz ALUZVHARBLHNQK-BBRMVZONSA-N 1 1 322.405 3.381 20 5 DGBDMO C[C@H]([NH2+][C@@H](C)c1ccc([N+](=O)[O-])cc1)c1cc2n(n1)CCC2 ZINC000414140816 433419997 /nfs/dbraw/zinc/41/99/97/433419997.db2.gz LUXLIPYYCBEKLB-RYUDHWBXSA-N 1 1 300.362 3.149 20 5 DGBDMO CC[N@H+](CCC(=O)Nc1ccc([N+](=O)[O-])cc1)CCC1CC1 ZINC000355067199 433447976 /nfs/dbraw/zinc/44/79/76/433447976.db2.gz ONVGUHHQTOJECV-UHFFFAOYSA-N 1 1 305.378 3.045 20 5 DGBDMO C[C@@H](C[N@H+]1CCC[C@H](C)C1)Nc1ncc([N+](=O)[O-])cc1Cl ZINC000301248416 433466168 /nfs/dbraw/zinc/46/61/68/433466168.db2.gz AGOJLLWKMPJJSK-QWRGUYRKSA-N 1 1 312.801 3.176 20 5 DGBDMO Cc1ccnc(NCCC[N@H+](C)C2CCCCC2)c1[N+](=O)[O-] ZINC000301248634 433466821 /nfs/dbraw/zinc/46/68/21/433466821.db2.gz BJSMUTUFIHHCPM-UHFFFAOYSA-N 1 1 306.410 3.365 20 5 DGBDMO C[C@H]1C[N@@H+](C)[C@@H](C)CN1c1ccc([N+](=O)[O-])c(C(F)(F)F)c1 ZINC000351499954 433535652 /nfs/dbraw/zinc/53/56/52/433535652.db2.gz DSTHIKNFVLCTHS-UWVGGRQHSA-N 1 1 317.311 3.142 20 5 DGBDMO CC(C)[N@@H+](CCn1ccc([N+](=O)[O-])n1)[C@H](C)c1ccccc1 ZINC000292193936 433500838 /nfs/dbraw/zinc/50/08/38/433500838.db2.gz NJIZDOKJMRAOJA-CQSZACIVSA-N 1 1 302.378 3.263 20 5 DGBDMO Cc1cc(N2CC[NH+](CC3CC3)CC2)c(Cl)cc1[N+](=O)[O-] ZINC000301430655 433550467 /nfs/dbraw/zinc/55/04/67/433550467.db2.gz GIGDPZAVXIBJHP-UHFFFAOYSA-N 1 1 309.797 3.089 20 5 DGBDMO CSC[C@H]1CCC[N@@H+](CCOc2ccc([N+](=O)[O-])cc2)C1 ZINC000292504657 433572420 /nfs/dbraw/zinc/57/24/20/433572420.db2.gz UXMZSHQCBPRZEF-ZDUSSCGKSA-N 1 1 310.419 3.049 20 5 DGBDMO Cc1nc(CC[N@H+](C)CCc2cccc([N+](=O)[O-])c2)cs1 ZINC000282374989 433582530 /nfs/dbraw/zinc/58/25/30/433582530.db2.gz FJSXEWXSDMJTLZ-UHFFFAOYSA-N 1 1 305.403 3.077 20 5 DGBDMO CCc1ncc(C[N@H+](Cc2ccc([N+](=O)[O-])cc2)C(C)C)cn1 ZINC000414374492 433583790 /nfs/dbraw/zinc/58/37/90/433583790.db2.gz WAGBYQKQLNRQPC-UHFFFAOYSA-N 1 1 314.389 3.358 20 5 DGBDMO CCc1ncc(C[N@@H+](Cc2ccc([N+](=O)[O-])cc2)C(C)C)cn1 ZINC000414374492 433583798 /nfs/dbraw/zinc/58/37/98/433583798.db2.gz WAGBYQKQLNRQPC-UHFFFAOYSA-N 1 1 314.389 3.358 20 5 DGBDMO C/C(=C\c1cccc([N+](=O)[O-])c1)C[N@H+]1CCC[C@@H](CCO)CC1 ZINC000421401159 433548201 /nfs/dbraw/zinc/54/82/01/433548201.db2.gz SZJKALNLPZTISE-ASNKMWSDSA-N 1 1 318.417 3.483 20 5 DGBDMO COC[C@@H]1CC[N@@H+](Cc2cc([N+](=O)[O-])ccc2C(F)(F)F)C1 ZINC000293110769 433617349 /nfs/dbraw/zinc/61/73/49/433617349.db2.gz OOASFGYTMDKSGR-SNVBAGLBSA-N 1 1 318.295 3.082 20 5 DGBDMO COCC[C@@H]([NH2+]Cc1ccc([N+](=O)[O-])c(F)c1)c1ccco1 ZINC000283060280 433653394 /nfs/dbraw/zinc/65/33/94/433653394.db2.gz JMEXOEJLJQRSTI-CYBMUJFWSA-N 1 1 308.309 3.194 20 5 DGBDMO Cc1nc(NCC(C)(C)[N@H+]2CCC[C@H](C)C2)ccc1[N+](=O)[O-] ZINC000301650426 433657219 /nfs/dbraw/zinc/65/72/19/433657219.db2.gz PRBRUIHLMGPTSJ-LBPRGKRZSA-N 1 1 306.410 3.221 20 5 DGBDMO COc1ccc([N+](=O)[O-])cc1C[N@@H+]1CCS[C@@H](C(C)C)C1 ZINC000362384397 433675037 /nfs/dbraw/zinc/67/50/37/433675037.db2.gz ZCWCUGFEPSEDSD-OAHLLOKOSA-N 1 1 310.419 3.177 20 5 DGBDMO COc1ccc([N+](=O)[O-])cc1C[N@H+]1CCS[C@@H](C(C)C)C1 ZINC000362384397 433675051 /nfs/dbraw/zinc/67/50/51/433675051.db2.gz ZCWCUGFEPSEDSD-OAHLLOKOSA-N 1 1 310.419 3.177 20 5 DGBDMO Cn1cc[nH+]c1[C@@H]1CCCN(c2c(Cl)cccc2[N+](=O)[O-])C1 ZINC000366610991 292967988 /nfs/dbraw/zinc/96/79/88/292967988.db2.gz KKKGQFRUWWVUHR-LLVKDONJSA-N 1 1 320.780 3.366 20 5 DGBDMO C[C@@H]1C[C@H](O)C[N@@H+](Cc2ccc(-c3ccc([N+](=O)[O-])cc3)o2)C1 ZINC000414526220 433691551 /nfs/dbraw/zinc/69/15/51/433691551.db2.gz NXBZOARVHQBFGT-DOMZBBRYSA-N 1 1 316.357 3.058 20 5 DGBDMO Cc1cc([N+](=O)[O-])ccc1N1CC[C@@H]2[C@@H](CCC[N@H+]2C2CC2)C1 ZINC000301764918 433710159 /nfs/dbraw/zinc/71/01/59/433710159.db2.gz GYFQDACCVJCBLP-KBXCAEBGSA-N 1 1 315.417 3.356 20 5 DGBDMO CO[C@@]1(C)C[C@@H]([N@H+](C)Cc2c(F)cccc2[N+](=O)[O-])C1(C)C ZINC000362437220 433713440 /nfs/dbraw/zinc/71/34/40/433713440.db2.gz JGEWINPFSJZION-ZBFHGGJFSA-N 1 1 310.369 3.369 20 5 DGBDMO CO[C@@]1(C)C[C@@H]([N@@H+](C)Cc2c(F)cccc2[N+](=O)[O-])C1(C)C ZINC000362437220 433713452 /nfs/dbraw/zinc/71/34/52/433713452.db2.gz JGEWINPFSJZION-ZBFHGGJFSA-N 1 1 310.369 3.369 20 5 DGBDMO CC(C)[NH+](CCN[C@@H](C)Cc1ccccc1[N+](=O)[O-])C(C)C ZINC000449061133 433713997 /nfs/dbraw/zinc/71/39/97/433713997.db2.gz VDZMGBXJWIDAGE-HNNXBMFYSA-N 1 1 307.438 3.234 20 5 DGBDMO Cc1ccc(N2CC[C@H]3[C@H](CCC[N@H+]3C3CC3)C2)c([N+](=O)[O-])c1 ZINC000301800310 433727351 /nfs/dbraw/zinc/72/73/51/433727351.db2.gz VNDDHGGOTHIBAH-ZBFHGGJFSA-N 1 1 315.417 3.356 20 5 DGBDMO CC(C)[C@H]1CCC[N@H+]1CCC(=O)Nc1ccccc1[N+](=O)[O-] ZINC000283531917 433740508 /nfs/dbraw/zinc/74/05/08/433740508.db2.gz NWWMYAIUPPYZDT-CQSZACIVSA-N 1 1 305.378 3.044 20 5 DGBDMO O=[N+]([O-])c1ccccc1-c1ccc(C[N@H+]2CCCOCC2)o1 ZINC000376507878 433758583 /nfs/dbraw/zinc/75/85/83/433758583.db2.gz YCYCHPACMAGIOY-UHFFFAOYSA-N 1 1 302.330 3.077 20 5 DGBDMO CSCC[C@@H](C)[N@H+](C)Cc1c(F)cc([N+](=O)[O-])cc1F ZINC000351882456 433765830 /nfs/dbraw/zinc/76/58/30/433765830.db2.gz QAAFGMPIJJPVPJ-SECBINFHSA-N 1 1 304.362 3.446 20 5 DGBDMO CSCC[C@@H](C)[N@@H+](C)Cc1c(F)cc([N+](=O)[O-])cc1F ZINC000351882456 433765840 /nfs/dbraw/zinc/76/58/40/433765840.db2.gz QAAFGMPIJJPVPJ-SECBINFHSA-N 1 1 304.362 3.446 20 5 DGBDMO CC[C@H]1[C@@H](C)CC[N@H+]1CCC(=O)Nc1ccccc1[N+](=O)[O-] ZINC000283427357 433725324 /nfs/dbraw/zinc/72/53/24/433725324.db2.gz WQCDPFIBJIZNHK-JSGCOSHPSA-N 1 1 305.378 3.044 20 5 DGBDMO CC[N@H+]1CCCC[C@H]1CNc1ccnc2c1cccc2[N+](=O)[O-] ZINC000432341209 433823478 /nfs/dbraw/zinc/82/34/78/433823478.db2.gz UXVGXGAWWINIEA-ZDUSSCGKSA-N 1 1 314.389 3.429 20 5 DGBDMO C/C(=C/c1cccc([N+](=O)[O-])c1)C[N@H+]1CC(C)(C)[C@@H]2COC[C@@H]21 ZINC000449783006 433793104 /nfs/dbraw/zinc/79/31/04/433793104.db2.gz MQJCLIFMTZJUAY-XUMUTMIRSA-N 1 1 316.401 3.355 20 5 DGBDMO Cc1cccc(N2CC[C@@H]3[C@H](CCC[N@H+]3C3CC3)C2)c1[N+](=O)[O-] ZINC000302493847 433826228 /nfs/dbraw/zinc/82/62/28/433826228.db2.gz LEDLAOUAHZYUPB-GDBMZVCRSA-N 1 1 315.417 3.356 20 5 DGBDMO Cc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@H+](C)[C@H](C)C1CCC1 ZINC000357028081 433829834 /nfs/dbraw/zinc/82/98/34/433829834.db2.gz ASAZGUOVRZWUNP-CYBMUJFWSA-N 1 1 319.405 3.352 20 5 DGBDMO Cc1cc(N2CCC[C@H]3C[N@@H+](C)CC[C@H]32)c(Cl)cc1[N+](=O)[O-] ZINC000302715831 433835214 /nfs/dbraw/zinc/83/52/14/433835214.db2.gz FUOFKWOPRBALDJ-GXTWGEPZSA-N 1 1 323.824 3.477 20 5 DGBDMO CC[C@@H](CSC)[N@@H+](C)Cc1ccc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000284223505 433865431 /nfs/dbraw/zinc/86/54/31/433865431.db2.gz UNDGMLLLGDFVTO-NSHDSACASA-N 1 1 313.379 3.076 20 5 DGBDMO Cn1cc([C@H]([NH2+]Cc2ccc([N+](=O)[O-])cc2)c2ccccc2)cn1 ZINC000376345653 293642707 /nfs/dbraw/zinc/64/27/07/293642707.db2.gz AZNYVFWVPMGMBS-GOSISDBHSA-N 1 1 322.368 3.208 20 5 DGBDMO NC[C@H]([NH2+]C/C=C/c1ccccc1[N+](=O)[O-])C1CCCCC1 ZINC000414840055 433871148 /nfs/dbraw/zinc/87/11/48/433871148.db2.gz MDGKQGKTHXTWNZ-DHINHOHASA-N 1 1 303.406 3.105 20 5 DGBDMO C[C@@H](CC[NH3+])NCc1ccc(-c2ccc([N+](=O)[O-])cc2Cl)o1 ZINC000414888865 433902846 /nfs/dbraw/zinc/90/28/46/433902846.db2.gz FRJKOLGFOPYKRL-JTQLQIEISA-N 1 1 323.780 3.335 20 5 DGBDMO C[NH2+]C[C@H](C)CNCc1ccc(-c2ccccc2[N+](=O)[O-])s1 ZINC000414841380 433879982 /nfs/dbraw/zinc/87/99/82/433879982.db2.gz NUDMKBGDCLPALT-LBPRGKRZSA-N 1 1 319.430 3.268 20 5 DGBDMO CC(=O)c1cc(NC[C@@H](c2ccco2)[NH+](C)C)ccc1[N+](=O)[O-] ZINC000285638733 434024177 /nfs/dbraw/zinc/02/41/77/434024177.db2.gz NQTXPOUHENFARM-HNNXBMFYSA-N 1 1 317.345 3.105 20 5 DGBDMO Cc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@H+]1CCC[C@H]1C1CC1 ZINC000363383824 434037374 /nfs/dbraw/zinc/03/73/74/434037374.db2.gz BCDAOIPUUKEECE-INIZCTEOSA-N 1 1 317.389 3.106 20 5 DGBDMO COc1ccncc1C[NH2+][C@@H](C)c1cccc([N+](=O)[O-])c1C ZINC000294098059 433996740 /nfs/dbraw/zinc/99/67/40/433996740.db2.gz JFUGVFIWURLOCV-LBPRGKRZSA-N 1 1 301.346 3.158 20 5 DGBDMO CC[C@H]1CC[C@H](C)[N@H+]1CCC(=O)Nc1cccc([N+](=O)[O-])c1C ZINC000357524153 434061758 /nfs/dbraw/zinc/06/17/58/434061758.db2.gz AUQCTDRHOILPBX-JSGCOSHPSA-N 1 1 319.405 3.495 20 5 DGBDMO CC[C@H]1CC[C@@H](C)[N@H+]1CCC(=O)Nc1cc([N+](=O)[O-])ccc1C ZINC000357554893 434074761 /nfs/dbraw/zinc/07/47/61/434074761.db2.gz SXLVYZARHVPLSI-KGLIPLIRSA-N 1 1 319.405 3.495 20 5 DGBDMO O=[N+]([O-])c1cccc(C[NH2+][C@@H]2COc3c2cccc3Cl)c1 ZINC000378085367 434079290 /nfs/dbraw/zinc/07/92/90/434079290.db2.gz CKMZHYWNTCRCRP-CQSZACIVSA-N 1 1 304.733 3.472 20 5 DGBDMO C[C@@H](CNc1nccc2c1cccc2[N+](=O)[O-])[N@@H+](C)C1CC1 ZINC000450306802 434092079 /nfs/dbraw/zinc/09/20/79/434092079.db2.gz DSDYUUYTXBQUNI-NSHDSACASA-N 1 1 300.362 3.038 20 5 DGBDMO C[C@@H]1[C@@H](Nc2ccc([N+](=O)[O-])nc2)CC[N@H+]1Cc1ccccc1 ZINC000309759452 434095968 /nfs/dbraw/zinc/09/59/68/434095968.db2.gz XRAHVTNRGKDLPR-CJNGLKHVSA-N 1 1 312.373 3.065 20 5 DGBDMO C[C@@H]1[C@H](Nc2cccnc2[N+](=O)[O-])CC[N@H+]1Cc1ccccc1 ZINC000309878560 434103239 /nfs/dbraw/zinc/10/32/39/434103239.db2.gz IVUKESPJGQNSIB-UKRRQHHQSA-N 1 1 312.373 3.065 20 5 DGBDMO C[C@H](O)C[C@@H]1CCCCC[N@H+]1Cc1ccc([N+](=O)[O-])c(F)c1 ZINC000285942769 434116847 /nfs/dbraw/zinc/11/68/47/434116847.db2.gz MFWWCMHKQFTXSB-JSGCOSHPSA-N 1 1 310.369 3.249 20 5 DGBDMO CCC1CCC([N@@H+](C)Cc2ccc(C(N)=O)cc2[N+](=O)[O-])CC1 ZINC000353433282 434127579 /nfs/dbraw/zinc/12/75/79/434127579.db2.gz FFYICBFSJBKDNJ-UHFFFAOYSA-N 1 1 319.405 3.094 20 5 DGBDMO O=[N+]([O-])c1ccc(C[N@H+]2CC[C@H](COc3ccccc3)C2)cc1 ZINC000505825740 294255005 /nfs/dbraw/zinc/25/50/05/294255005.db2.gz MYYZXKOVDWRMPL-INIZCTEOSA-N 1 1 312.369 3.496 20 5 DGBDMO CCCC[N@@H+](CCO)Cc1ccc(-c2cccc([N+](=O)[O-])c2)o1 ZINC000505848187 294256603 /nfs/dbraw/zinc/25/66/03/294256603.db2.gz NSAHUMVYOVGTCH-UHFFFAOYSA-N 1 1 318.373 3.449 20 5 DGBDMO O=[N+]([O-])c1ccc2c(c1)CN(c1cc[nH+]cc1Cl)CCO2 ZINC000357813631 434196774 /nfs/dbraw/zinc/19/67/74/434196774.db2.gz SUWHYRXOHTYRTG-UHFFFAOYSA-N 1 1 305.721 3.042 20 5 DGBDMO Cc1ccc(C[N@H+](C)[C@H](CO)c2ccccc2)cc1[N+](=O)[O-] ZINC000295106893 434206478 /nfs/dbraw/zinc/20/64/78/434206478.db2.gz UJTVXJZMFHCYNS-QGZVFWFLSA-N 1 1 300.358 3.069 20 5 DGBDMO Cn1cncc1C[NH2+][C@@H](c1ccccc1)c1cccc([N+](=O)[O-])c1 ZINC000353574617 434244311 /nfs/dbraw/zinc/24/43/11/434244311.db2.gz XXHRYFQBQDJGFX-SFHVURJKSA-N 1 1 322.368 3.208 20 5 DGBDMO CCC(C)(C)C[NH2+][C@@H](c1nccn1C)c1cccc([N+](=O)[O-])c1 ZINC000353593387 434256267 /nfs/dbraw/zinc/25/62/67/434256267.db2.gz KVPJHBYHFZXMIV-OAHLLOKOSA-N 1 1 316.405 3.444 20 5 DGBDMO CCOc1ccc([C@H](C)N[C@@H](C)[C@@H]2CCC[NH2+]C2)cc1[N+](=O)[O-] ZINC000423213890 434291618 /nfs/dbraw/zinc/29/16/18/434291618.db2.gz KMGDNEBAAAPCHI-KCQAQPDRSA-N 1 1 321.421 3.032 20 5 DGBDMO CC[C@H]1CCC[N@H+]1Cc1nc(-c2ccc([N+](=O)[O-])cc2)no1 ZINC000340678902 434292314 /nfs/dbraw/zinc/29/23/14/434292314.db2.gz MVEKARLYXMICNW-LBPRGKRZSA-N 1 1 302.334 3.019 20 5 DGBDMO O=[N+]([O-])c1ccccc1OCC[N@H+]1CC[C@H]1Cc1ccccc1 ZINC000437831644 434347086 /nfs/dbraw/zinc/34/70/86/434347086.db2.gz CGNLIEKTKLBCEB-INIZCTEOSA-N 1 1 312.369 3.291 20 5 DGBDMO CC(=O)c1cc(NCCCCn2cc[nH+]c2C)ccc1[N+](=O)[O-] ZINC000287379889 434347624 /nfs/dbraw/zinc/34/76/24/434347624.db2.gz RASMDBBYRRLXQL-UHFFFAOYSA-N 1 1 316.361 3.195 20 5 DGBDMO CCC[N@@H+](Cc1ccc([N+](=O)[O-])cc1Cl)CC(C)(C)O ZINC000360004337 434470312 /nfs/dbraw/zinc/47/03/12/434470312.db2.gz NQJBJJPEIVDNJF-UHFFFAOYSA-N 1 1 300.786 3.231 20 5 DGBDMO CCOc1ccc([N+](=O)[O-])cc1C[N@@H+]1CCS[C@H](CC)C1 ZINC000353883415 434501428 /nfs/dbraw/zinc/50/14/28/434501428.db2.gz TVIUHHBWQWIPBS-CQSZACIVSA-N 1 1 310.419 3.321 20 5 DGBDMO CCOc1ccc([N+](=O)[O-])cc1C[N@H+]1CCS[C@H](CC)C1 ZINC000353883415 434501436 /nfs/dbraw/zinc/50/14/36/434501436.db2.gz TVIUHHBWQWIPBS-CQSZACIVSA-N 1 1 310.419 3.321 20 5 DGBDMO CCOC(=O)c1ccc(C[NH2+][C@@H](C)c2ccc([N+](=O)[O-])cc2)o1 ZINC000295960884 434451683 /nfs/dbraw/zinc/45/16/83/434451683.db2.gz HVALNQZMOAPCOA-NSHDSACASA-N 1 1 318.329 3.215 20 5 DGBDMO CO[C@@H](C)C[N@@H+](C)Cc1ccc(-c2ccccc2[N+](=O)[O-])o1 ZINC000348835622 434515353 /nfs/dbraw/zinc/51/53/53/434515353.db2.gz AHGFEFCOVCIIRX-LBPRGKRZSA-N 1 1 304.346 3.322 20 5 DGBDMO Cc1ccc([N+](=O)[O-])cc1[C@H](C)[N@H+]1CCOCC2(CCC2)C1 ZINC000408213637 434552823 /nfs/dbraw/zinc/55/28/23/434552823.db2.gz CQCRODWGHPUESX-AWEZNQCLSA-N 1 1 304.390 3.467 20 5 DGBDMO C[C@H]1CCC(C)(C)[N@H+]1Cc1nnc(-c2ccc([N+](=O)[O-])cc2)o1 ZINC000452004493 434582037 /nfs/dbraw/zinc/58/20/37/434582037.db2.gz HWQFOHKUONFJRJ-NSHDSACASA-N 1 1 316.361 3.408 20 5 DGBDMO CC(C)[N@H+]1CC[C@@H](N(C)Cc2ccc(Cl)cc2[N+](=O)[O-])C1 ZINC000452127318 434585776 /nfs/dbraw/zinc/58/57/76/434585776.db2.gz ZUEDMAXGTUPJTM-CQSZACIVSA-N 1 1 311.813 3.163 20 5 DGBDMO N[C@H]1CCCCC[C@@H]1[NH2+]CCc1ccc(Cl)cc1[N+](=O)[O-] ZINC000423039438 295332836 /nfs/dbraw/zinc/33/28/36/295332836.db2.gz FLJUYYQRFJZIPK-KBPBESRZSA-N 1 1 311.813 3.040 20 5 DGBDMO [NH3+][C@H]1CCCCC[C@@H]1NCCc1ccc(Cl)cc1[N+](=O)[O-] ZINC000423039438 295332838 /nfs/dbraw/zinc/33/28/38/295332838.db2.gz FLJUYYQRFJZIPK-KBPBESRZSA-N 1 1 311.813 3.040 20 5 DGBDMO C[C@@]1(CCCO)CCC[N@H+]1C/C=C/c1ccccc1[N+](=O)[O-] ZINC000349153078 434621478 /nfs/dbraw/zinc/62/14/78/434621478.db2.gz REHVEUKTAMMFAK-AUNFYEFLSA-N 1 1 304.390 3.235 20 5 DGBDMO CC[N@@H+](C)Cc1cccc(CNc2nc(C)ccc2[N+](=O)[O-])c1 ZINC000360669078 434663658 /nfs/dbraw/zinc/66/36/58/434663658.db2.gz MNXDPAKLCYZSCS-UHFFFAOYSA-N 1 1 314.389 3.362 20 5 DGBDMO CC[N@H+]1CC[C@@H](N(C)Cc2c(F)cccc2[N+](=O)[O-])C[C@@H]1C ZINC000354209181 434670789 /nfs/dbraw/zinc/67/07/89/434670789.db2.gz QKLQGUPHZSMKGD-QWHCGFSZSA-N 1 1 309.385 3.039 20 5 DGBDMO CC(C)c1ccc(CN(C)CC[N@@H+](C)C2CC2)cc1[N+](=O)[O-] ZINC000349408887 434706813 /nfs/dbraw/zinc/70/68/13/434706813.db2.gz QWSMVMMXXYNIKH-UHFFFAOYSA-N 1 1 305.422 3.244 20 5 DGBDMO CC[C@H]1CCCC[N@H+]1CCC(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000411145108 434730882 /nfs/dbraw/zinc/73/08/82/434730882.db2.gz BIXQQIDULOIWDA-AWEZNQCLSA-N 1 1 305.378 3.188 20 5 DGBDMO COC(=O)CC1(C[N@@H+](Cc2ccc([N+](=O)[O-])cc2)C(C)C)CC1 ZINC000440697503 434734555 /nfs/dbraw/zinc/73/45/55/434734555.db2.gz MBAVXGQTDSKEBD-UHFFFAOYSA-N 1 1 320.389 3.149 20 5 DGBDMO O=[N+]([O-])c1cccc(C[N@H+]2CCC[C@@H](C[C@H]3CCOC3)C2)c1 ZINC000361026513 434771043 /nfs/dbraw/zinc/77/10/43/434771043.db2.gz BCJKMIVNFQFFPA-GOEBONIOSA-N 1 1 304.390 3.233 20 5 DGBDMO C[C@@H](C1CCC1)[N@@H+](C)CCC(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000411428539 434779759 /nfs/dbraw/zinc/77/97/59/434779759.db2.gz KVUSUCDFJXIDTM-LBPRGKRZSA-N 1 1 305.378 3.044 20 5 DGBDMO C[C@@H]1CCC[C@@H](C)[N@@H+](Cc2nc3cc([N+](=O)[O-])ccc3[nH]2)C1 ZINC000444638760 434786107 /nfs/dbraw/zinc/78/61/07/434786107.db2.gz LVBNBXQTKYKHRR-VXGBXAGGSA-N 1 1 302.378 3.482 20 5 DGBDMO CC[N@@H+](CC(=O)Nc1ccccc1[N+](=O)[O-])[C@@H]1CCCC[C@H]1C ZINC000444675527 434788734 /nfs/dbraw/zinc/78/87/34/434788734.db2.gz MKPYLDHATXUBOX-UKRRQHHQSA-N 1 1 319.405 3.434 20 5 DGBDMO CC[N@@H+](CC(=O)Nc1ccccc1[N+](=O)[O-])[C@H]1CCCC[C@H]1C ZINC000444675526 434788833 /nfs/dbraw/zinc/78/88/33/434788833.db2.gz MKPYLDHATXUBOX-HIFRSBDPSA-N 1 1 319.405 3.434 20 5 DGBDMO Cc1c(-c2noc(C[NH+]3CCC(C)CC3)n2)cccc1[N+](=O)[O-] ZINC000453249013 434840495 /nfs/dbraw/zinc/84/04/95/434840495.db2.gz GEQBXPODNNGLNI-UHFFFAOYSA-N 1 1 316.361 3.185 20 5 DGBDMO C[C@H]1CC(C)(C)C[N@H+]1Cc1nc(-c2cccc([N+](=O)[O-])c2)no1 ZINC000412018368 434855187 /nfs/dbraw/zinc/85/51/87/434855187.db2.gz BGLCQHUJROQJTC-NSHDSACASA-N 1 1 316.361 3.265 20 5 DGBDMO O=[N+]([O-])c1ccccc1C[NH2+][C@@H]1CCOc2c(F)cccc21 ZINC000372876803 434859584 /nfs/dbraw/zinc/85/95/84/434859584.db2.gz JCERPIAWEAAKHK-CQSZACIVSA-N 1 1 302.305 3.347 20 5 DGBDMO C[C@H]1CC(C)(C)C[N@H+]1CCC(=O)Nc1ccccc1[N+](=O)[O-] ZINC000412043320 434861144 /nfs/dbraw/zinc/86/11/44/434861144.db2.gz NMLSTNKQUKJTKJ-LBPRGKRZSA-N 1 1 305.378 3.044 20 5 DGBDMO O=[N+]([O-])c1cc(F)c(C[N@@H+]2CC[C@H](c3ccncc3)C2)c(F)c1 ZINC000521894274 434899688 /nfs/dbraw/zinc/89/96/88/434899688.db2.gz NLVHYTGGYXUZOR-LBPRGKRZSA-N 1 1 319.311 3.258 20 5 DGBDMO O=[N+]([O-])c1cc(F)c(C[N@H+]2CC[C@H](c3ccncc3)C2)c(F)c1 ZINC000521894274 434899692 /nfs/dbraw/zinc/89/96/92/434899692.db2.gz NLVHYTGGYXUZOR-LBPRGKRZSA-N 1 1 319.311 3.258 20 5 DGBDMO CN(C)c1ccccc1C[N@@H+](C)CCc1cccc([N+](=O)[O-])c1 ZINC000554844806 434948681 /nfs/dbraw/zinc/94/86/81/434948681.db2.gz YSXCGMWHXLZLLV-UHFFFAOYSA-N 1 1 313.401 3.335 20 5 DGBDMO Cc1nnsc1C[NH2+]Cc1ccc(C(C)C)c([N+](=O)[O-])c1 ZINC000492176061 434930499 /nfs/dbraw/zinc/93/04/99/434930499.db2.gz PHLCIHSCIXTUJD-UHFFFAOYSA-N 1 1 306.391 3.168 20 5 DGBDMO C[C@H]1C[C@H](Nc2ccc([N+](=O)[O-])c(OC(F)F)c2)CC[N@H+]1C ZINC000462888867 434934573 /nfs/dbraw/zinc/93/45/73/434934573.db2.gz HUVQBYABXWACND-GXSJLCMTSA-N 1 1 315.320 3.091 20 5 DGBDMO C[N@@H+](CCc1cccc([N+](=O)[O-])c1)Cc1ccc2c(n1)CCC2 ZINC000556787303 435024915 /nfs/dbraw/zinc/02/49/15/435024915.db2.gz AFGTVEFZKDISEX-UHFFFAOYSA-N 1 1 311.385 3.153 20 5 DGBDMO CCOc1cc(C[N@H+]2CCCC[C@H]2[C@@H](O)CC)ccc1[N+](=O)[O-] ZINC000492462279 434987734 /nfs/dbraw/zinc/98/77/34/434987734.db2.gz MMUZAWLYBJHHDY-HOCLYGCPSA-N 1 1 322.405 3.119 20 5 DGBDMO COc1ccc(OCC[N@H+]2CCC[C@H]2C(C)(C)C)c([N+](=O)[O-])c1 ZINC000464743689 434995892 /nfs/dbraw/zinc/99/58/92/434995892.db2.gz ZSFWHIDNZAFMTD-INIZCTEOSA-N 1 1 322.405 3.493 20 5 DGBDMO C/C(=C/c1cccc([N+](=O)[O-])c1)C[N@H+]1CCC[C@@H](CO)CC1 ZINC000556966754 435042017 /nfs/dbraw/zinc/04/20/17/435042017.db2.gz CLBPQXBGAQRVMA-BAAYTWLHSA-N 1 1 304.390 3.093 20 5 DGBDMO CCOc1cc(C[N@H+]2CC[C@@H](OCC(C)C)C2)ccc1[N+](=O)[O-] ZINC000492795768 435051280 /nfs/dbraw/zinc/05/12/80/435051280.db2.gz ZGNYZJWVVUQQRX-OAHLLOKOSA-N 1 1 322.405 3.240 20 5 DGBDMO CCOc1cc(C[N@H+]2CC[C@H](OCC(C)C)C2)ccc1[N+](=O)[O-] ZINC000492795766 435051658 /nfs/dbraw/zinc/05/16/58/435051658.db2.gz ZGNYZJWVVUQQRX-HNNXBMFYSA-N 1 1 322.405 3.240 20 5 DGBDMO CC[N@@H+]1CCCC[C@@H]1CN[C@@H](C)c1cc([N+](=O)[O-])ccc1C ZINC000531714971 435113092 /nfs/dbraw/zinc/11/30/92/435113092.db2.gz IIRNEVBJPFWIBF-GOEBONIOSA-N 1 1 305.422 3.428 20 5 DGBDMO CC[N@H+]1CCCC[C@@H]1CN[C@@H](C)c1cc([N+](=O)[O-])ccc1C ZINC000531714971 435113097 /nfs/dbraw/zinc/11/30/97/435113097.db2.gz IIRNEVBJPFWIBF-GOEBONIOSA-N 1 1 305.422 3.428 20 5 DGBDMO Cc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@@H+](CC1CC1)C(C)C ZINC000533034709 435207646 /nfs/dbraw/zinc/20/76/46/435207646.db2.gz LSNWNQADUINTSQ-UHFFFAOYSA-N 1 1 319.405 3.352 20 5 DGBDMO Cc1ccc([N+](=O)[O-])cc1NC(=O)C[N@H+]1C[C@@H](C)CCC[C@H]1C ZINC000532572206 435179216 /nfs/dbraw/zinc/17/92/16/435179216.db2.gz NQEDELXTXBOZFA-GXTWGEPZSA-N 1 1 319.405 3.352 20 5 DGBDMO C[C@H](C1CC1)[N@@H+](CCn1cc([N+](=O)[O-])cn1)Cc1ccccc1 ZINC000157645213 298259248 /nfs/dbraw/zinc/25/92/48/298259248.db2.gz AZFTYTLNDNJSLO-CQSZACIVSA-N 1 1 314.389 3.092 20 5 DGBDMO Cc1ccc(CN2CCC[N@H+](C(C)(C)C)CC2)cc1[N+](=O)[O-] ZINC000535084028 435316955 /nfs/dbraw/zinc/31/69/55/435316955.db2.gz XEDACOVMRJKKLY-UHFFFAOYSA-N 1 1 305.422 3.209 20 5 DGBDMO C[C@@H]1CN(C)[C@@H](C)C[C@H]1[NH2+]CCCCc1ccc([N+](=O)[O-])cc1 ZINC000536867844 435417008 /nfs/dbraw/zinc/41/70/08/435417008.db2.gz FJIOSDRFIUNMBH-RVKKMQEKSA-N 1 1 319.449 3.236 20 5 DGBDMO CCC[N@H+](CCN1CCCCC1)Cc1ccc([N+](=O)[O-])cc1 ZINC000513145674 435379261 /nfs/dbraw/zinc/37/92/61/435379261.db2.gz WUUWBFOZADDHIH-UHFFFAOYSA-N 1 1 305.422 3.293 20 5 DGBDMO CC[C@@H]1[C@@H](C)CC[N@H+]1CCOc1ccc(OC)cc1[N+](=O)[O-] ZINC000481411848 435425565 /nfs/dbraw/zinc/42/55/65/435425565.db2.gz KWVSBVWBTFLQLI-GXTWGEPZSA-N 1 1 308.378 3.103 20 5 DGBDMO O=[N+]([O-])c1ccccc1OCC[N@@H+](CC1CC1)CC1CCC1 ZINC000483267805 435505372 /nfs/dbraw/zinc/50/53/72/435505372.db2.gz CNVDZEULYVGKGT-UHFFFAOYSA-N 1 1 304.390 3.486 20 5 DGBDMO C[C@@H]1C[C@H]([NH2+][C@H]2CCCCc3ccc([N+](=O)[O-])cc32)CC[N@@H+]1C ZINC000516024372 435511132 /nfs/dbraw/zinc/51/11/32/435511132.db2.gz SFQJFXJLDXFEMD-SIIHOXLZSA-N 1 1 317.433 3.435 20 5 DGBDMO C[C@@H]1C[C@H](N[C@H]2CCCCc3ccc([N+](=O)[O-])cc32)CC[N@@H+]1C ZINC000516024372 435511135 /nfs/dbraw/zinc/51/11/35/435511135.db2.gz SFQJFXJLDXFEMD-SIIHOXLZSA-N 1 1 317.433 3.435 20 5 DGBDMO C[C@@H]1C[C@H](N[C@H]2CCCCc3ccc([N+](=O)[O-])cc32)CC[N@H+]1C ZINC000516024372 435511138 /nfs/dbraw/zinc/51/11/38/435511138.db2.gz SFQJFXJLDXFEMD-SIIHOXLZSA-N 1 1 317.433 3.435 20 5 DGBDMO O=[N+]([O-])c1cccc2c1CC[C@H]2N[C@H]1CC[N@H+](C2CCCC2)C1 ZINC000569258350 435518358 /nfs/dbraw/zinc/51/83/58/435518358.db2.gz CNKFLMQEKMFLJT-SUMWQHHRSA-N 1 1 315.417 3.189 20 5 DGBDMO O=[N+]([O-])c1cccc2c1CC[C@H]2[NH2+][C@H]1CCN(C2CCCC2)C1 ZINC000569258350 435518363 /nfs/dbraw/zinc/51/83/63/435518363.db2.gz CNKFLMQEKMFLJT-SUMWQHHRSA-N 1 1 315.417 3.189 20 5 DGBDMO CCC[N@H+](Cc1ccc([N+](=O)[O-])cc1)[C@H](CC)C(=O)OCC ZINC000483443220 435520231 /nfs/dbraw/zinc/52/02/31/435520231.db2.gz RNKNNHDFDJKQTA-OAHLLOKOSA-N 1 1 308.378 3.149 20 5 DGBDMO CCC[N@@H+](Cc1ccc([N+](=O)[O-])cc1)[C@H](CC)C(=O)OCC ZINC000483443220 435520235 /nfs/dbraw/zinc/52/02/35/435520235.db2.gz RNKNNHDFDJKQTA-OAHLLOKOSA-N 1 1 308.378 3.149 20 5 DGBDMO CC[N@@H+](Cc1nc(-c2cccc([N+](=O)[O-])c2)no1)C1CCC1 ZINC000516514132 435535120 /nfs/dbraw/zinc/53/51/20/435535120.db2.gz IOOZPCZVDSJXFX-UHFFFAOYSA-N 1 1 302.334 3.019 20 5 DGBDMO Cc1c(C[N@@H+](CCO)CC2CCCCC2)cccc1[N+](=O)[O-] ZINC000485896761 435581694 /nfs/dbraw/zinc/58/16/94/435581694.db2.gz MNHSXNNISZDSCG-UHFFFAOYSA-N 1 1 306.406 3.278 20 5 DGBDMO CC(C)[C@@H]1CN(Cc2c(Cl)cccc2[N+](=O)[O-])CC[N@H+]1C ZINC000488023256 435633860 /nfs/dbraw/zinc/63/38/60/435633860.db2.gz HTSLTUXOXHCEKW-HNNXBMFYSA-N 1 1 311.813 3.020 20 5 DGBDMO O=[N+]([O-])c1ccc2oc(C[N@H+]3CC[C@@H](c4ccncc4)C3)nc2c1 ZINC000570695023 435642263 /nfs/dbraw/zinc/64/22/63/435642263.db2.gz PPCWWNHKUATBAM-CYBMUJFWSA-N 1 1 324.340 3.121 20 5 DGBDMO CCCNC(=O)CCC[N@@H+](Cc1ccc([N+](=O)[O-])cc1)C(C)C ZINC000519601597 435692040 /nfs/dbraw/zinc/69/20/40/435692040.db2.gz DXWBZDFRJFXWSN-UHFFFAOYSA-N 1 1 321.421 3.112 20 5 DGBDMO Cc1cc([N+](=O)[O-])cc(Cl)c1NC[C@@H]1CC[N@H+](C2CC2)C1 ZINC000571787991 435735403 /nfs/dbraw/zinc/73/54/03/435735403.db2.gz WVWKKXIMYHXKMZ-NSHDSACASA-N 1 1 309.797 3.453 20 5 DGBDMO Cc1ccc([N+](=O)[O-])cc1[C@H](C)[N@@H+]1C[C@@H](C)O[C@@H](C2CC2)C1 ZINC000548753087 435715284 /nfs/dbraw/zinc/71/52/84/435715284.db2.gz FCWIGASMMDVJLX-IIYDPXPESA-N 1 1 304.390 3.464 20 5 DGBDMO Cc1ccc([N+](=O)[O-])cc1[C@H](C)[N@H+]1C[C@@H](C)O[C@@H](C2CC2)C1 ZINC000548753087 435715288 /nfs/dbraw/zinc/71/52/88/435715288.db2.gz FCWIGASMMDVJLX-IIYDPXPESA-N 1 1 304.390 3.464 20 5 DGBDMO CCC[N@H+](CCc1ccc([N+](=O)[O-])cc1)CC(=O)OC(C)(C)C ZINC000541718834 314033125 /nfs/dbraw/zinc/03/31/25/314033125.db2.gz YDKMRBQWLQKXTI-UHFFFAOYSA-N 1 1 322.405 3.191 20 5 DGBDMO CCC[N@@H+](CCc1ccc([N+](=O)[O-])cc1)CC(=O)OC(C)(C)C ZINC000541718834 314033129 /nfs/dbraw/zinc/03/31/29/314033129.db2.gz YDKMRBQWLQKXTI-UHFFFAOYSA-N 1 1 322.405 3.191 20 5 DGBDMO CCCC[N@@H+](C)CCNc1ccc([N+](=O)[O-])cc1OC(F)F ZINC000544847331 314213975 /nfs/dbraw/zinc/21/39/75/314213975.db2.gz PYNSSJLTAJZMIG-UHFFFAOYSA-N 1 1 317.336 3.340 20 5 DGBDMO CCC[C@H]1CCCC[N@H+]1CC(=O)Nc1ccc([N+](=O)[O-])cc1C ZINC000564611599 315186276 /nfs/dbraw/zinc/18/62/76/315186276.db2.gz JEFJGPWIDMDOLI-AWEZNQCLSA-N 1 1 319.405 3.496 20 5 DGBDMO C[C@H](C[C@H](C)[NH3+])NCc1ccc(-c2ccccc2[N+](=O)[O-])o1 ZINC000564973730 315216169 /nfs/dbraw/zinc/21/61/69/315216169.db2.gz PUBLCMIQVWXOIN-NWDGAFQWSA-N 1 1 303.362 3.070 20 5 DGBDMO Cc1ccc(C[N@H+]2CCC[C@H]2[C@H]2CCCOC2)cc1[N+](=O)[O-] ZINC000564986557 315217405 /nfs/dbraw/zinc/21/74/05/315217405.db2.gz PFZBZPZODJTJBS-HOTGVXAUSA-N 1 1 304.390 3.294 20 5 DGBDMO COc1ccc(C[NH2+]Cc2ccc(OC)c([N+](=O)[O-])c2)c(F)c1 ZINC000567207712 315404300 /nfs/dbraw/zinc/40/43/00/315404300.db2.gz ACOOPGPCLNOUGN-UHFFFAOYSA-N 1 1 320.320 3.041 20 5 DGBDMO CCCC[C@@H](C)[N@@H+](C)CC(=O)Nc1ccc(OC)cc1[N+](=O)[O-] ZINC000576151770 316099886 /nfs/dbraw/zinc/09/98/86/316099886.db2.gz LVTSTKXTCPHKMQ-GFCCVEGCSA-N 1 1 323.393 3.052 20 5 DGBDMO CC(C)(O)C[N@@H+](Cc1ccccc1)Cc1cccc([N+](=O)[O-])c1 ZINC000181149037 323247351 /nfs/dbraw/zinc/24/73/51/323247351.db2.gz JOQZNHAWFWZCEK-UHFFFAOYSA-N 1 1 314.385 3.368 20 5 DGBDMO CCOc1cccc(NC[C@@H]2CC[N@@H+](CC(C)C)C2)c1[N+](=O)[O-] ZINC000184134887 323356378 /nfs/dbraw/zinc/35/63/78/323356378.db2.gz AXTDAZBIJLZIIF-AWEZNQCLSA-N 1 1 321.421 3.383 20 5 DGBDMO CC1(C)C[N@H+](C/C=C\c2ccccc2[N+](=O)[O-])[C@@H]1[C@H]1CCCO1 ZINC000583294385 324336117 /nfs/dbraw/zinc/33/61/17/324336117.db2.gz GFXDPCBFVNCFAK-LVXHKSIOSA-N 1 1 316.401 3.497 20 5 DGBDMO CC1(C)C[N@@H+](C/C=C\c2ccccc2[N+](=O)[O-])[C@@H]1[C@H]1CCCO1 ZINC000583294385 324336120 /nfs/dbraw/zinc/33/61/20/324336120.db2.gz GFXDPCBFVNCFAK-LVXHKSIOSA-N 1 1 316.401 3.497 20 5 DGBDMO C[C@@H](CNc1ncc([N+](=O)[O-])cc1F)[N@@H+](C)Cc1ccccc1 ZINC000413149304 534099178 /nfs/dbraw/zinc/09/91/78/534099178.db2.gz UOZZRDDDISIWFE-LBPRGKRZSA-N 1 1 318.352 3.061 20 5 DGBDMO C[C@H](c1ccccc1)[N@H+]1CC[C@H](Nc2ncc([N+](=O)[O-])s2)C1 ZINC000443507651 534134647 /nfs/dbraw/zinc/13/46/47/534134647.db2.gz GVOWQKPBPFEVPC-YPMHNXCESA-N 1 1 318.402 3.299 20 5 DGBDMO CCc1ccc(C[N@@H+](CCn2cc([N+](=O)[O-])cn2)C2CC2)cc1 ZINC000157671206 523922213 /nfs/dbraw/zinc/92/22/13/523922213.db2.gz YUIJZGWXUCHDGL-UHFFFAOYSA-N 1 1 314.389 3.018 20 5 DGBDMO C[N@@H+](Cc1ccc(Cl)cc1[N+](=O)[O-])[C@@H](CO)CC(C)(C)C ZINC000451786477 536468455 /nfs/dbraw/zinc/46/84/55/536468455.db2.gz WYCSAIXJVXCJII-CYBMUJFWSA-N 1 1 314.813 3.477 20 5 DGBDMO CC[N@@H+](CCNc1nccc2ccc([N+](=O)[O-])cc21)C1CC1 ZINC000413106760 528520047 /nfs/dbraw/zinc/52/00/47/528520047.db2.gz JZJTZIBGZVLDKC-UHFFFAOYSA-N 1 1 300.362 3.039 20 5 DGBDMO CCOc1cccc(NCC[N@H+]2CCC[C@@H](C)C2)c1[N+](=O)[O-] ZINC000302129728 528673519 /nfs/dbraw/zinc/67/35/19/528673519.db2.gz XSQKTLCHSKLILZ-CYBMUJFWSA-N 1 1 307.394 3.137 20 5 DGBDMO CCC(CC)[N@@H+](CCOC)Cc1nc2cc([N+](=O)[O-])ccc2[nH]1 ZINC000444626584 528778829 /nfs/dbraw/zinc/77/88/29/528778829.db2.gz UWQHUAMUTBEHDE-UHFFFAOYSA-N 1 1 320.393 3.108 20 5 DGBDMO CC(C)[N@@H+](C)C[C@@H](C)Nc1nccc2ccc([N+](=O)[O-])cc21 ZINC000413292364 528829389 /nfs/dbraw/zinc/82/93/89/528829389.db2.gz ANOOJSUKSUIKNO-GFCCVEGCSA-N 1 1 302.378 3.284 20 5 DGBDMO CC[N@H+]1CCC[C@@H](CNc2nccc3ccc([N+](=O)[O-])cc32)C1 ZINC000413094806 529050502 /nfs/dbraw/zinc/05/05/02/529050502.db2.gz QVPQJJJNTDZODY-ZDUSSCGKSA-N 1 1 314.389 3.287 20 5 DGBDMO CC[C@@H](C)[N@@H+](C)CCNc1cc(C(F)(F)F)ncc1[N+](=O)[O-] ZINC000319105673 529343796 /nfs/dbraw/zinc/34/37/96/529343796.db2.gz LINQVVHJCNYYDP-SECBINFHSA-N 1 1 320.315 3.151 20 5 DGBDMO CCO[C@H]1CC[N@H+](Cc2c(Cl)cccc2[N+](=O)[O-])C[C@H]1C ZINC000451536777 535632260 /nfs/dbraw/zinc/63/22/60/535632260.db2.gz IALDEXFSWUDLAX-ABAIWWIYSA-N 1 1 312.797 3.495 20 5 DGBDMO CCO[C@H]1CC[N@@H+](Cc2c(Cl)cccc2[N+](=O)[O-])C[C@H]1C ZINC000451536777 535632264 /nfs/dbraw/zinc/63/22/64/535632264.db2.gz IALDEXFSWUDLAX-ABAIWWIYSA-N 1 1 312.797 3.495 20 5 DGBDMO CC[C@@]1(C)C[N@H+](C/C(C)=C\c2cccc([N+](=O)[O-])c2)CCO1 ZINC000470213031 536056736 /nfs/dbraw/zinc/05/67/36/536056736.db2.gz ZBXYCLXNGYWUMB-QXSWTLKVSA-N 1 1 304.390 3.499 20 5 DGBDMO CC[C@@]1(C)C[N@@H+](C/C(C)=C\c2cccc([N+](=O)[O-])c2)CCO1 ZINC000470213031 536056740 /nfs/dbraw/zinc/05/67/40/536056740.db2.gz ZBXYCLXNGYWUMB-QXSWTLKVSA-N 1 1 304.390 3.499 20 5 DGBDMO O=[N+]([O-])c1ccc2nc(N[C@H]3CC[N@H+]4CCC[C@H]4C3)sc2c1 ZINC000731206701 574545276 /nfs/dbraw/zinc/54/52/76/574545276.db2.gz PDMBAYJCPORCGG-QWRGUYRKSA-N 1 1 318.402 3.243 20 5 DGBDMO CC[N@@H+](CCNc1nc2ccc([N+](=O)[O-])cc2s1)C(C)C ZINC000731210138 574545314 /nfs/dbraw/zinc/54/53/14/574545314.db2.gz PPVPKAYMNQGWLQ-UHFFFAOYSA-N 1 1 308.407 3.347 20 5 DGBDMO C[C@@H]1C[C@@H](C)[N@@H+](Cn2cc(-c3ccc([N+](=O)[O-])cc3)cn2)C1 ZINC000740859990 574943764 /nfs/dbraw/zinc/94/37/64/574943764.db2.gz ODVFPBJHONCMDU-CHWSQXEVSA-N 1 1 300.362 3.146 20 5 DGBDMO CCC[N@@H+](Cn1cc(-c2ccc([N+](=O)[O-])cc2)cn1)C1CC1 ZINC000728902426 575193179 /nfs/dbraw/zinc/19/31/79/575193179.db2.gz JMMUDPXUNVIVHE-UHFFFAOYSA-N 1 1 300.362 3.290 20 5 DGBDMO CC[C@@H](C)C[N@@H+](CC)Cn1cnc(-c2cccc([N+](=O)[O-])c2)n1 ZINC000748261645 575576567 /nfs/dbraw/zinc/57/65/67/575576567.db2.gz IFMQYBXCXGUXJD-CYBMUJFWSA-N 1 1 317.393 3.179 20 5 DGBDMO O=C(OCc1cccc([N+](=O)[O-])c1)[C@H]1CCC[N@H+]1C1CCCC1 ZINC000749352662 575646726 /nfs/dbraw/zinc/64/67/26/575646726.db2.gz MTHORNBWMLXJBT-MRXNPFEDSA-N 1 1 318.373 3.045 20 5 DGBDMO CC[N@@H+](Cn1nc(C)c2cc([N+](=O)[O-])cnc21)C1CCCCC1 ZINC000749937843 575689822 /nfs/dbraw/zinc/68/98/22/575689822.db2.gz PVIRTKOEJZNMKL-UHFFFAOYSA-N 1 1 317.393 3.260 20 5 DGBDMO Cc1nn(C[N@H+](C)[C@@H]2CCC[C@@H](C)C2)c2ncc([N+](=O)[O-])cc12 ZINC000749940942 575690745 /nfs/dbraw/zinc/69/07/45/575690745.db2.gz MFIHECVJFCVCHK-DGCLKSJQSA-N 1 1 317.393 3.116 20 5 DGBDMO Cc1nn(C[N@H+]2C[C@H](C)CCC[C@@H]2C)c2ncc([N+](=O)[O-])cc12 ZINC000749955903 575692230 /nfs/dbraw/zinc/69/22/30/575692230.db2.gz UYVNXNKZNIJVAC-NEPJUHHUSA-N 1 1 317.393 3.116 20 5 DGBDMO CC(C)[C@@H]1CCC[N@@H+](C[C@H](O)c2cccc([N+](=O)[O-])c2)CC1 ZINC000750075560 575702161 /nfs/dbraw/zinc/70/21/61/575702161.db2.gz KQCIRMJIJVIXLF-PBHICJAKSA-N 1 1 306.406 3.386 20 5 DGBDMO C[C@]1(CCc2ccccc2)CC[N@H+](Cn2cc([N+](=O)[O-])cn2)C1 ZINC000751606640 575793119 /nfs/dbraw/zinc/79/31/19/575793119.db2.gz XPXYUGULLZVUEO-KRWDZBQOSA-N 1 1 314.389 3.094 20 5 DGBDMO C[C@]1(CCc2ccccc2)CC[N@@H+](Cn2cc([N+](=O)[O-])cn2)C1 ZINC000751606640 575793122 /nfs/dbraw/zinc/79/31/22/575793122.db2.gz XPXYUGULLZVUEO-KRWDZBQOSA-N 1 1 314.389 3.094 20 5 DGBDMO CC[N@H+]1CC[C@H]2CC[C@@H](C1)N2Cc1ccc(Cl)c([N+](=O)[O-])c1 ZINC000154175605 620644955 /nfs/dbraw/zinc/64/49/55/620644955.db2.gz WSZUSEGEEFEFHC-KGLIPLIRSA-N 1 1 323.824 3.307 20 5 DGBDMO O=[N+]([O-])c1ccc([C@H](O)C[N@H+]2CC3CC2(c2ccccc2)C3)cc1 ZINC000852762108 620646660 /nfs/dbraw/zinc/64/66/60/620646660.db2.gz YRZACHAVKRFWBS-PJOPYLDSSA-N 1 1 324.380 3.249 20 5 DGBDMO C[N@@H+](CCC(C)(C)C)Cn1cc([N+](=O)[O-])c(-c2ccccn2)n1 ZINC000853519534 620705467 /nfs/dbraw/zinc/70/54/67/620705467.db2.gz YWWQEJBAWJXRRP-UHFFFAOYSA-N 1 1 317.393 3.179 20 5 DGBDMO Cc1cccc(C)c1[C@H]1CCC[N@@H+]1Cn1cc([N+](=O)[O-])cn1 ZINC000853521999 620706004 /nfs/dbraw/zinc/70/60/04/620706004.db2.gz HYQJIHMYZRTNPI-OAHLLOKOSA-N 1 1 300.362 3.203 20 5 DGBDMO Cc1cccc(C)c1[C@H]1CCC[N@H+]1Cn1cc([N+](=O)[O-])cn1 ZINC000853521999 620706006 /nfs/dbraw/zinc/70/60/06/620706006.db2.gz HYQJIHMYZRTNPI-OAHLLOKOSA-N 1 1 300.362 3.203 20 5 DGBDMO Cc1cccc(C)c1[C@@H]1CCC[N@@H+]1Cn1cc([N+](=O)[O-])cn1 ZINC000853521998 620706191 /nfs/dbraw/zinc/70/61/91/620706191.db2.gz HYQJIHMYZRTNPI-HNNXBMFYSA-N 1 1 300.362 3.203 20 5 DGBDMO Cc1cccc(C)c1[C@@H]1CCC[N@H+]1Cn1cc([N+](=O)[O-])cn1 ZINC000853521998 620706194 /nfs/dbraw/zinc/70/61/94/620706194.db2.gz HYQJIHMYZRTNPI-HNNXBMFYSA-N 1 1 300.362 3.203 20 5 DGBDMO CC(C)(C)[N@H+]1CC[C@H](CNc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])C1 ZINC000853747644 620732669 /nfs/dbraw/zinc/73/26/69/620732669.db2.gz WBOCKABMDMVWHO-LLVKDONJSA-N 1 1 322.365 3.035 20 5 DGBDMO CC(=O)c1cc([N+](=O)[O-])ccc1NC[C@H]1CCCC[N@H+]1C1CC1 ZINC000804655236 617604803 /nfs/dbraw/zinc/60/48/03/617604803.db2.gz KQLPBQCLDRRWQK-OAHLLOKOSA-N 1 1 317.389 3.226 20 5 DGBDMO CCCCCC[N@@H+](C)CC(=O)N[C@@H](C)c1cccc([N+](=O)[O-])c1 ZINC000111572127 620736353 /nfs/dbraw/zinc/73/63/53/620736353.db2.gz ZWEXHFJCAHALEI-AWEZNQCLSA-N 1 1 321.421 3.284 20 5 DGBDMO COc1c(O)ccc(C[N@H+]2CCC[C@@H]3CCC[C@H]32)c1[N+](=O)[O-] ZINC000891803910 617902853 /nfs/dbraw/zinc/90/28/53/617902853.db2.gz LYRPEYFMCIQODY-WCQYABFASA-N 1 1 306.362 3.074 20 5 DGBDMO O=[N+]([O-])c1cc(Cl)c(N[C@H]2Cc3c[nH+]cn3C2)c(Cl)c1 ZINC000894996586 618509197 /nfs/dbraw/zinc/50/91/97/618509197.db2.gz NHHAGJKWAHOVLG-ZETCQYMHSA-N 1 1 313.144 3.135 20 5 DGBDMO O=[N+]([O-])c1cc(Cl)ccc1C[NH2+]Cc1cnc2n1CCCC2 ZINC000894304848 618758109 /nfs/dbraw/zinc/75/81/09/618758109.db2.gz IDQNLAXRWOGABF-UHFFFAOYSA-N 1 1 320.780 3.071 20 5 DGBDMO C/C(=C/c1cccc([N+](=O)[O-])c1)C[N@H+]1CC[C@H]([C@H]2CCCO2)C1 ZINC000895843289 618837925 /nfs/dbraw/zinc/83/79/25/618837925.db2.gz ATIXFEQVTUIWQK-MBMZNTITSA-N 1 1 316.401 3.499 20 5 DGBDMO C[C@@H](C[NH2+][C@H]1CCN(C)C(C)(C)C1)c1ccccc1[N+](=O)[O-] ZINC000897461112 619130241 /nfs/dbraw/zinc/13/02/41/619130241.db2.gz LKLAAONDUYWXBY-KBPBESRZSA-N 1 1 305.422 3.161 20 5 DGBDMO C[C@H](C[NH2+][C@@H]1CCN(C)C(C)(C)C1)c1ccccc1[N+](=O)[O-] ZINC000897461115 619130250 /nfs/dbraw/zinc/13/02/50/619130250.db2.gz LKLAAONDUYWXBY-ZIAGYGMSSA-N 1 1 305.422 3.161 20 5 DGBDMO CCCN1CCC([NH2+]C[C@@H](C)c2ccccc2[N+](=O)[O-])CC1 ZINC000897463914 619130590 /nfs/dbraw/zinc/13/05/90/619130590.db2.gz CGGDOIVDNFDVCW-CQSZACIVSA-N 1 1 305.422 3.162 20 5 DGBDMO CC(C)[N@@H+]1CCC[C@@H]1C(=O)O[C@@H](C)c1cccc([N+](=O)[O-])c1 ZINC000923891703 619259499 /nfs/dbraw/zinc/25/94/99/619259499.db2.gz AUUIERWOYXNHPW-SWLSCSKDSA-N 1 1 306.362 3.072 20 5 DGBDMO CC(C)[N@H+]1CCC[C@@H]1C(=O)O[C@@H](C)c1cccc([N+](=O)[O-])c1 ZINC000923891703 619259502 /nfs/dbraw/zinc/25/95/02/619259502.db2.gz AUUIERWOYXNHPW-SWLSCSKDSA-N 1 1 306.362 3.072 20 5 DGBDMO C[C@]12CSC[C@H]1C[N@@H+](Cc1ccc([N+](=O)[O-])c(Cl)c1)C2 ZINC000898423434 619274794 /nfs/dbraw/zinc/27/47/94/619274794.db2.gz UNPFUGWZKMBNHY-RISCZKNCSA-N 1 1 312.822 3.433 20 5 DGBDMO CCOc1ccc([C@@H]([NH2+]CC[N+](=O)[O-])c2ccccc2)cc1 ZINC000899869361 619379490 /nfs/dbraw/zinc/37/94/90/619379490.db2.gz DICBLJVNPYBBIB-KRWDZBQOSA-N 1 1 300.358 3.041 20 5 DGBDMO CCOc1ccc([N+](=O)[O-])cc1CNc1cc(C)[nH+]c(C)n1 ZINC000902170448 619598751 /nfs/dbraw/zinc/59/87/51/619598751.db2.gz VMVHSQALZUGDSS-UHFFFAOYSA-N 1 1 302.334 3.012 20 5 DGBDMO COc1cc([C@@H](C)[NH2+][C@@H](C)c2ccccn2)cc([N+](=O)[O-])c1 ZINC000903055452 619707042 /nfs/dbraw/zinc/70/70/42/619707042.db2.gz GMJOYEPSFHWPLN-NEPJUHHUSA-N 1 1 301.346 3.410 20 5 DGBDMO COc1cc([C@H](C)[NH2+][C@H](CO)c2ccsc2)cc([N+](=O)[O-])c1 ZINC000903153319 619725959 /nfs/dbraw/zinc/72/59/59/619725959.db2.gz REZFDWJYPJPVIG-ZUZCIYMTSA-N 1 1 322.386 3.049 20 5 DGBDMO COc1cc([N+](=O)[O-])ccc1[C@H](C)[NH2+][C@@H](C)c1cncs1 ZINC000903312132 619758024 /nfs/dbraw/zinc/75/80/24/619758024.db2.gz SOFMMOGVWNNMRH-UWVGGRQHSA-N 1 1 307.375 3.472 20 5 DGBDMO Cc1ccc([N+](=O)[O-])c(C)c1NC(=O)[C@@H]1CC[C@H]2CCCC[N@H+]21 ZINC000908268958 620197368 /nfs/dbraw/zinc/19/73/68/620197368.db2.gz RYPLFHNXGDAIMI-HIFRSBDPSA-N 1 1 317.389 3.167 20 5 DGBDMO C[N@@H+]1CCN(c2ccc([N+](=O)[O-])cc2F)[C@@H](c2ccccc2)C1 ZINC000915212251 620572724 /nfs/dbraw/zinc/57/27/24/620572724.db2.gz KNFRECDFLMZQJY-QGZVFWFLSA-N 1 1 315.348 3.227 20 5 DGBDMO C[N@H+]1CCN(c2ccc([N+](=O)[O-])cc2F)[C@@H](c2ccccc2)C1 ZINC000915212251 620572725 /nfs/dbraw/zinc/57/27/25/620572725.db2.gz KNFRECDFLMZQJY-QGZVFWFLSA-N 1 1 315.348 3.227 20 5 DGBDMO Cc1nn(C[N@@H+]2CC[C@H](C)[C@H]3CCCC[C@H]32)c(C)c1[N+](=O)[O-] ZINC000915207796 620573459 /nfs/dbraw/zinc/57/34/59/620573459.db2.gz CCMOHICJNZBNCT-NILFDRSVSA-N 1 1 306.410 3.266 20 5 DGBDMO O=[N+]([O-])c1ccc(CCCC[NH2+][C@H]2CCCc3c[nH]nc32)cc1 ZINC000857860296 621123966 /nfs/dbraw/zinc/12/39/66/621123966.db2.gz YKBXANQLVMISIL-INIZCTEOSA-N 1 1 314.389 3.308 20 5 DGBDMO O=[N+]([O-])c1ccc(Cl)cc1CNC[C@H]1CC[N@H+]1C1CCCC1 ZINC000858285129 621171451 /nfs/dbraw/zinc/17/14/51/621171451.db2.gz GYPXLGSZMHHHDD-OAHLLOKOSA-N 1 1 323.824 3.355 20 5 DGBDMO O=[N+]([O-])c1ccc(Cl)cc1C[NH2+]C[C@H]1CCN1C1CCCC1 ZINC000858285129 621171452 /nfs/dbraw/zinc/17/14/52/621171452.db2.gz GYPXLGSZMHHHDD-OAHLLOKOSA-N 1 1 323.824 3.355 20 5 DGBDMO C[C@@H]1C[N@@H+](Cc2cc(F)ccc2[N+](=O)[O-])C[C@H](C)C1(F)F ZINC000859412850 621275964 /nfs/dbraw/zinc/27/59/64/621275964.db2.gz ZENGBTPOJMHKTJ-AOOOYVTPSA-N 1 1 302.296 3.457 20 5 DGBDMO C[C@@H]1C[N@H+](Cc2cc(F)ccc2[N+](=O)[O-])C[C@H](C)C1(F)F ZINC000859412850 621275969 /nfs/dbraw/zinc/27/59/69/621275969.db2.gz ZENGBTPOJMHKTJ-AOOOYVTPSA-N 1 1 302.296 3.457 20 5 DGBDMO O=C(C[N@H+]1CCC[C@H]1C1CC1)Nc1cc(Cl)ccc1[N+](=O)[O-] ZINC000839479732 621379995 /nfs/dbraw/zinc/37/99/95/621379995.db2.gz GTUUMOBGUXSGNO-ZDUSSCGKSA-N 1 1 323.780 3.061 20 5 DGBDMO C[C@H]1CSCC[N@@H+](Cc2ccc([N+](=O)[O-])c(Cl)c2)C1 ZINC000754156728 621492512 /nfs/dbraw/zinc/49/25/12/621492512.db2.gz UBNFDESIUYDYFL-SNVBAGLBSA-N 1 1 300.811 3.433 20 5 DGBDMO O=[N+]([O-])c1ccc(Cl)cc1C[N@H+]1CCC[C@H]2COCC[C@@H]21 ZINC000756902438 621671490 /nfs/dbraw/zinc/67/14/90/621671490.db2.gz SNRLBVPWDFRDHH-FZMZJTMJSA-N 1 1 310.781 3.249 20 5 DGBDMO Cc1ccc(-c2noc([C@@H]([NH3+])CCC(C)C)n2)cc1[N+](=O)[O-] ZINC000863659054 621695683 /nfs/dbraw/zinc/69/56/83/621695683.db2.gz AATUAPOVCKQHBH-LBPRGKRZSA-N 1 1 304.350 3.389 20 5 DGBDMO Cn1cc(C(F)F)c(C[NH2+]C/C=C\c2ccccc2[N+](=O)[O-])n1 ZINC000865809549 621999378 /nfs/dbraw/zinc/99/93/78/621999378.db2.gz WTRVOXXRMREAON-XQRVVYSFSA-N 1 1 322.315 3.069 20 5 DGBDMO CC[C@@H]1CCC[N@@H+](Cn2nc(C)c3ccc([N+](=O)[O-])cc32)C1 ZINC000761287814 621999657 /nfs/dbraw/zinc/99/96/57/621999657.db2.gz HFMBQSHYMLIKTK-CYBMUJFWSA-N 1 1 302.378 3.332 20 5 DGBDMO CO[C@@H]1CC[C@@H](C)N(c2cc[nH+]c3ccc([N+](=O)[O-])cc32)C1 ZINC000866073610 622041866 /nfs/dbraw/zinc/04/18/66/622041866.db2.gz QPORGWSLXRKJQN-DGCLKSJQSA-N 1 1 301.346 3.147 20 5 DGBDMO O=[N+]([O-])c1ccc2[nH+]ccc(N3CC[C@@H]4CSC[C@H]4C3)c2c1 ZINC000866200916 622064759 /nfs/dbraw/zinc/06/47/59/622064759.db2.gz MNMQATFMVZKSER-VXGBXAGGSA-N 1 1 315.398 3.332 20 5 DGBDMO CC(C)(O)C1CCN(c2cc[nH+]c3ccc([N+](=O)[O-])cc32)CC1 ZINC000866229180 622071125 /nfs/dbraw/zinc/07/11/25/622071125.db2.gz OEFWRUCNTRNXOK-UHFFFAOYSA-N 1 1 315.373 3.130 20 5 DGBDMO CC[N@H+]1C[C@H](C)N(Cc2ccc(Cl)c([N+](=O)[O-])c2)C[C@@H]1C ZINC000766253197 622315063 /nfs/dbraw/zinc/31/50/63/622315063.db2.gz JRWHNLRSKJTUES-RYUDHWBXSA-N 1 1 311.813 3.163 20 5 DGBDMO Cc1cc(C[NH+]2CCN(c3cccc([N+](=O)[O-])c3)CC2)c(C)o1 ZINC000768902476 622484975 /nfs/dbraw/zinc/48/49/75/622484975.db2.gz TZXHAESXLPIAAB-UHFFFAOYSA-N 1 1 315.373 3.127 20 5 DGBDMO O=[N+]([O-])c1cc2c(cc1C[N@H+]1CCC3(CCCC3)C1)OCCO2 ZINC000769403420 622525333 /nfs/dbraw/zinc/52/53/33/622525333.db2.gz TWXJLQOLNNCFGW-UHFFFAOYSA-N 1 1 318.373 3.132 20 5 DGBDMO CCC[C@]1(CO)CCC[N@H+]1Cc1cc(Cl)ccc1[N+](=O)[O-] ZINC000769914172 622576388 /nfs/dbraw/zinc/57/63/88/622576388.db2.gz VVRUYPBDTCMXAG-OAHLLOKOSA-N 1 1 312.797 3.375 20 5 DGBDMO O=C(C[N@H+]1CCCC12CCC2)Nc1ccc(Cl)c([N+](=O)[O-])c1 ZINC000769984112 622585477 /nfs/dbraw/zinc/58/54/77/622585477.db2.gz KZTRVQSLWNIHQH-UHFFFAOYSA-N 1 1 323.780 3.205 20 5 DGBDMO Cc1ccc(CO[NH+]=C(N)CCC(F)(F)F)cc1[N+](=O)[O-] ZINC000871763698 622692721 /nfs/dbraw/zinc/69/27/21/622692721.db2.gz OXCKZDLTTASDMB-UHFFFAOYSA-N 1 1 305.256 3.244 20 5 DGBDMO CSc1ccc([N+](=O)[O-])cc1[C@H](C)[NH2+]C[C@H](C1CC1)N(C)C ZINC000872025624 622759392 /nfs/dbraw/zinc/75/93/92/622759392.db2.gz QENHOPVRSHPAJT-XHDPSFHLSA-N 1 1 323.462 3.308 20 5 DGBDMO CC[N@H+]1CC[C@@H](CN[C@H](C)c2cc([N+](=O)[O-])ccc2SC)C1 ZINC000872026166 622759914 /nfs/dbraw/zinc/75/99/14/622759914.db2.gz YKABPRKGIINMRS-OLZOCXBDSA-N 1 1 323.462 3.309 20 5 DGBDMO CSc1ccc([N+](=O)[O-])cc1[C@@H](C)[NH2+]Cc1cnn(C)c1C ZINC000872051712 622776583 /nfs/dbraw/zinc/77/65/83/622776583.db2.gz LZCDEUBPPJFSIW-SNVBAGLBSA-N 1 1 320.418 3.209 20 5 DGBDMO Cc1ccc([N+](=O)[O-])cc1[C@H](C)[NH2+][C@H](C)c1nccnc1C ZINC000872135873 622827260 /nfs/dbraw/zinc/82/72/60/622827260.db2.gz YLWZLHZTALBQGA-WCQYABFASA-N 1 1 300.362 3.413 20 5 DGBDMO O=[N+]([O-])c1ccc([C@@H](O)C[NH2+][C@H](CF)c2ccc(F)cc2)cc1 ZINC000872235852 622863734 /nfs/dbraw/zinc/86/37/34/622863734.db2.gz ANCVLLOFKDXOLR-CVEARBPZSA-N 1 1 322.311 3.068 20 5 DGBDMO CCOc1cccc(C[NH2+][C@@H](C)c2ccccc2[N+](=O)[O-])n1 ZINC000873183494 623065236 /nfs/dbraw/zinc/06/52/36/623065236.db2.gz SBCZHGLRRURWLP-LBPRGKRZSA-N 1 1 301.346 3.239 20 5 DGBDMO C[C@H]1CCC[N@@H+]1CCN[C@@H]1CCCc2ccc([N+](=O)[O-])cc21 ZINC000774206333 623120165 /nfs/dbraw/zinc/12/01/65/623120165.db2.gz AYEVTWOYHZTWKY-SUMWQHHRSA-N 1 1 303.406 3.046 20 5 DGBDMO C[C@H]1CCC[N@H+]1CCN[C@@H]1CCCc2ccc([N+](=O)[O-])cc21 ZINC000774206333 623120168 /nfs/dbraw/zinc/12/01/68/623120168.db2.gz AYEVTWOYHZTWKY-SUMWQHHRSA-N 1 1 303.406 3.046 20 5 DGBDMO C[C@@H]1CC[N@@H+](Cn2ncc3cc([N+](=O)[O-])cc(Cl)c32)[C@@H]1C ZINC000774637186 623168793 /nfs/dbraw/zinc/16/87/93/623168793.db2.gz MVOLMZUNUFYBLS-NXEZZACHSA-N 1 1 308.769 3.286 20 5 DGBDMO C[C@@H]1C[C@H](C)[N@@H+](Cn2ncc3cc([N+](=O)[O-])cc(Cl)c32)C1 ZINC000774639263 623169426 /nfs/dbraw/zinc/16/94/26/623169426.db2.gz UYHFMAYOFRIYOJ-ZJUUUORDSA-N 1 1 308.769 3.286 20 5 DGBDMO CC(C)[N@H+]1CC[C@H](N(C)Cc2cc([N+](=O)[O-])ccc2Cl)C1 ZINC000775644705 623302199 /nfs/dbraw/zinc/30/21/99/623302199.db2.gz OHQACNZPEUGBFZ-AWEZNQCLSA-N 1 1 311.813 3.163 20 5 DGBDMO C[C@H](c1ccccc1F)[N@@H+](C)C[C@@H](O)c1ccc([N+](=O)[O-])cc1 ZINC000776273776 623404919 /nfs/dbraw/zinc/40/49/19/623404919.db2.gz AJIJSNIZSJVZFQ-SJKOYZFVSA-N 1 1 318.348 3.460 20 5 DGBDMO CC(C)[N@H+](Cc1ccco1)C[C@@H](O)c1ccc([N+](=O)[O-])cc1 ZINC000776579590 623443000 /nfs/dbraw/zinc/44/30/00/623443000.db2.gz NTDSCCAKDXHLPQ-MRXNPFEDSA-N 1 1 304.346 3.132 20 5 DGBDMO CC(C)[C@H]1CCC[N@@H+](C[C@@H](O)c2ccc([N+](=O)[O-])cc2)CC1 ZINC000776584296 623443091 /nfs/dbraw/zinc/44/30/91/623443091.db2.gz KJMOSKXPLBIJJO-WMLDXEAASA-N 1 1 306.406 3.386 20 5 DGBDMO Cc1cc[nH+]c(NC2CCN(c3ccc([N+](=O)[O-])cc3)CC2)c1 ZINC000776769053 623461372 /nfs/dbraw/zinc/46/13/72/623461372.db2.gz AYTFXXXMKFDRSY-UHFFFAOYSA-N 1 1 312.373 3.379 20 5 DGBDMO CN1CCN(Cc2cc([N+](=O)[O-])ccc2Cl)c2ccc[nH+]c21 ZINC000777712297 623559430 /nfs/dbraw/zinc/55/94/30/623559430.db2.gz FUKHCQDTAIPMFH-UHFFFAOYSA-N 1 1 318.764 3.100 20 5 DGBDMO CCC[N@@H+](Cn1cc(-c2cccc([N+](=O)[O-])c2)cn1)C1CC1 ZINC000777956436 623589991 /nfs/dbraw/zinc/58/99/91/623589991.db2.gz LBHFDRIMLKVPAP-UHFFFAOYSA-N 1 1 300.362 3.290 20 5 DGBDMO O=[N+]([O-])c1cccc(-c2cnn(C[N@H+]3CCC[C@@H]3C3CC3)c2)c1 ZINC000777956226 623590124 /nfs/dbraw/zinc/59/01/24/623590124.db2.gz GHKZYHNBBHRTPK-QGZVFWFLSA-N 1 1 312.373 3.290 20 5 DGBDMO O=[N+]([O-])c1cccc(-c2cnn(C[N@H+]3CC[C@H](C4CC4)C3)c2)c1 ZINC000777957651 623591110 /nfs/dbraw/zinc/59/11/10/623591110.db2.gz IMTARHZLSLYBOF-HNNXBMFYSA-N 1 1 312.373 3.148 20 5 DGBDMO Cc1c[nH+]cn1CC(=O)Nc1cc([N+](=O)[O-])ccc1C(C)(C)C ZINC000876343560 623591336 /nfs/dbraw/zinc/59/13/36/623591336.db2.gz XHVZEPDTOHXNQX-UHFFFAOYSA-N 1 1 316.361 3.036 20 5 DGBDMO Cc1nn(C[N@@H+]2CC[C@@H](Cc3ccccc3)[C@@H]2C)cc1[N+](=O)[O-] ZINC000779864390 623824673 /nfs/dbraw/zinc/82/46/73/623824673.db2.gz AXNPETFBMGGDMT-HOCLYGCPSA-N 1 1 314.389 3.010 20 5 DGBDMO O=[N+]([O-])c1ccc(C[N@H+]2CC[C@H]3CSC[C@H]3C2)c(Cl)c1 ZINC000877737054 624010490 /nfs/dbraw/zinc/01/04/90/624010490.db2.gz GPZXPSXPGSWASN-NWDGAFQWSA-N 1 1 312.822 3.433 20 5 DGBDMO Cc1c(C[N@@H+]2CCO[C@H](C(F)(F)F)CC2)cccc1[N+](=O)[O-] ZINC000877820615 624051745 /nfs/dbraw/zinc/05/17/45/624051745.db2.gz HQNYURAUQBNEIG-ZDUSSCGKSA-N 1 1 318.295 3.056 20 5 DGBDMO Cc1c(C[N@H+]2CCO[C@H](C(F)(F)F)CC2)cccc1[N+](=O)[O-] ZINC000877820615 624051751 /nfs/dbraw/zinc/05/17/51/624051751.db2.gz HQNYURAUQBNEIG-ZDUSSCGKSA-N 1 1 318.295 3.056 20 5 DGBDMO CC[C@@H]1CC[C@H](C)[N@H+]1CCC(=O)Nc1cc([N+](=O)[O-])ccc1F ZINC000782532328 624261191 /nfs/dbraw/zinc/26/11/91/624261191.db2.gz SQPNWRVLSZWKFF-NWDGAFQWSA-N 1 1 323.368 3.325 20 5 DGBDMO O=[N+]([O-])c1ccc([C@@H](O)C[N@H+]2CCCC3(CCCC3)C2)cc1 ZINC000782636101 624269841 /nfs/dbraw/zinc/26/98/41/624269841.db2.gz DKDOOAHTROBFRN-INIZCTEOSA-N 1 1 304.390 3.284 20 5 DGBDMO O=[N+]([O-])c1ccc([C@H](O)C[N@H+]2CCCC3(CCCC3)C2)cc1 ZINC000782636102 624269863 /nfs/dbraw/zinc/26/98/63/624269863.db2.gz DKDOOAHTROBFRN-MRXNPFEDSA-N 1 1 304.390 3.284 20 5 DGBDMO O=[N+]([O-])c1ccccc1-c1nnc(C[N@@H+]2CCCC3(CC3)C2)o1 ZINC000878445043 624279680 /nfs/dbraw/zinc/27/96/80/624279680.db2.gz RERXKBKKNDGAOW-UHFFFAOYSA-N 1 1 314.345 3.021 20 5 DGBDMO O=[N+]([O-])c1ccccc1-c1nnc(C[N@H+]2CCCC3(CC3)C2)o1 ZINC000878445043 624279682 /nfs/dbraw/zinc/27/96/82/624279682.db2.gz RERXKBKKNDGAOW-UHFFFAOYSA-N 1 1 314.345 3.021 20 5 DGBDMO C[C@@H]1C[C@@H](C)[NH+]1Cc1nnc(-c2ccc(Cl)cc2[N+](=O)[O-])o1 ZINC000878532553 624300256 /nfs/dbraw/zinc/30/02/56/624300256.db2.gz FUFNPUHXSNJIOA-RKDXNWHRSA-N 1 1 322.752 3.281 20 5 DGBDMO CC[N@H+]1C[C@H](C)N(Cc2ccc([N+](=O)[O-])c(Cl)c2)C[C@H]1C ZINC000783569435 624367458 /nfs/dbraw/zinc/36/74/58/624367458.db2.gz GTLVXHHFLPQLBH-NEPJUHHUSA-N 1 1 311.813 3.163 20 5 DGBDMO C[C@@H](OC(=O)C[N@H+]1[C@H](C)CC[C@@H]1C)c1ccccc1[N+](=O)[O-] ZINC000785733202 624720308 /nfs/dbraw/zinc/72/03/08/624720308.db2.gz OJVDERSYUVDYDJ-FRRDWIJNSA-N 1 1 306.362 3.072 20 5 DGBDMO C[C@@H](OC(=O)C[N@@H+]1[C@H](C)CC[C@@H]1C)c1ccccc1[N+](=O)[O-] ZINC000785733202 624720310 /nfs/dbraw/zinc/72/03/10/624720310.db2.gz OJVDERSYUVDYDJ-FRRDWIJNSA-N 1 1 306.362 3.072 20 5 DGBDMO CO[C@@]1(C(F)(F)F)CC[N@H+](Cc2cccc([N+](=O)[O-])c2C)C1 ZINC000880303351 624904300 /nfs/dbraw/zinc/90/43/00/624904300.db2.gz NKNUGJJELFGYKD-ZDUSSCGKSA-N 1 1 318.295 3.056 20 5 DGBDMO CO[C@@]1(C(F)(F)F)CC[N@@H+](Cc2cccc([N+](=O)[O-])c2C)C1 ZINC000880303351 624904303 /nfs/dbraw/zinc/90/43/03/624904303.db2.gz NKNUGJJELFGYKD-ZDUSSCGKSA-N 1 1 318.295 3.056 20 5 DGBDMO CC[N@H+](Cc1ccc([N+](=O)[O-])cc1F)[C@@H](CO)c1ccccc1 ZINC000880462404 624961286 /nfs/dbraw/zinc/96/12/86/624961286.db2.gz SVRFXNQXEQJNAO-KRWDZBQOSA-N 1 1 318.348 3.289 20 5 DGBDMO CC[N@@H+](Cc1ccc([N+](=O)[O-])cc1F)[C@@H](CO)c1ccccc1 ZINC000880462404 624961288 /nfs/dbraw/zinc/96/12/88/624961288.db2.gz SVRFXNQXEQJNAO-KRWDZBQOSA-N 1 1 318.348 3.289 20 5 DGBDMO COC(C)(C)CC[N@@H+](C)Cc1cc([N+](=O)[O-])ccc1Cl ZINC000787260709 624992822 /nfs/dbraw/zinc/99/28/22/624992822.db2.gz IBIJZEZOLJDBSP-UHFFFAOYSA-N 1 1 300.786 3.495 20 5 DGBDMO C[N@@H+](C[C@@H](O)c1cccc([N+](=O)[O-])c1)C1CCC(F)(F)CC1 ZINC000805840597 625014754 /nfs/dbraw/zinc/01/47/54/625014754.db2.gz SYQQBZLVOIOQFP-CQSZACIVSA-N 1 1 314.332 3.138 20 5 DGBDMO CC[NH+](CC)CC1CCN(Cc2ccc([N+](=O)[O-])c(F)c2)CC1 ZINC000801510199 626406509 /nfs/dbraw/zinc/40/65/09/626406509.db2.gz INXIENJXCGIAJJ-UHFFFAOYSA-N 1 1 323.412 3.288 20 5 DGBDMO CO[C@]1(C)C[C@@H]([N@@H+](C)Cc2ccc([N+](=O)[O-])c(F)c2)C1(C)C ZINC000801519470 626407248 /nfs/dbraw/zinc/40/72/48/626407248.db2.gz OWIMEYUYAJTJGY-GDBMZVCRSA-N 1 1 310.369 3.369 20 5 DGBDMO CC[N@@H+](CCc1ccccn1)Cc1ccc([N+](=O)[O-])c(F)c1 ZINC000801522485 626407313 /nfs/dbraw/zinc/40/73/13/626407313.db2.gz SYJNRVRTGJWIMC-UHFFFAOYSA-N 1 1 303.337 3.194 20 5 DGBDMO C[C@H](CNc1c([N+](=O)[O-])cccc1[N+](=O)[O-])[N@H+]1CCCC[C@@H]1C ZINC000804349631 626672206 /nfs/dbraw/zinc/67/22/06/626672206.db2.gz PAEVRPLYROTXMD-NWDGAFQWSA-N 1 1 322.365 3.178 20 5 DGBDMO C[C@@H]1CC[C@H](C)[N@@H+]1[C@@H]1CCCN(c2ccc(N)cc2[N+](=O)[O-])C1 ZINC000804357225 626673087 /nfs/dbraw/zinc/67/30/87/626673087.db2.gz ADHHMQWSKRNPMT-VNHYZAJKSA-N 1 1 318.421 3.019 20 5 DGBDMO CC(=O)c1ccc([N+](=O)[O-])cc1NC[C@H](C)[N@H+]1CCC[C@H](C)C1 ZINC000807925233 626777949 /nfs/dbraw/zinc/77/79/49/626777949.db2.gz BREYCPWIGZAENZ-STQMWFEESA-N 1 1 319.405 3.330 20 5 DGBDMO CC[N@H+]1CCCC[C@H]1CNc1cc([N+](=O)[O-])ccc1C(C)=O ZINC000807972501 626781344 /nfs/dbraw/zinc/78/13/44/626781344.db2.gz LVLYVEGITVRFGK-AWEZNQCLSA-N 1 1 305.378 3.084 20 5 DGBDMO O=[N+]([O-])c1ccnn1C[N@H+]1C[C@H](c2ccccc2)C2(CCC2)C1 ZINC000840177193 626913682 /nfs/dbraw/zinc/91/36/82/626913682.db2.gz GZRZKOHCIVUXAL-OAHLLOKOSA-N 1 1 312.373 3.019 20 5 DGBDMO COc1ccc([C@H](C)[N@H+](C)Cc2cccnc2[N+](=O)[O-])cc1 ZINC000885931434 627063061 /nfs/dbraw/zinc/06/30/61/627063061.db2.gz UXVIJILENCEHCQ-LBPRGKRZSA-N 1 1 301.346 3.191 20 5 DGBDMO COc1ccc([C@H](C)[N@@H+](C)Cc2cccnc2[N+](=O)[O-])cc1 ZINC000885931434 627063064 /nfs/dbraw/zinc/06/30/64/627063064.db2.gz UXVIJILENCEHCQ-LBPRGKRZSA-N 1 1 301.346 3.191 20 5 DGBDMO CCOc1ccc([C@@H](C)[NH2+]Cc2cccnc2[N+](=O)[O-])cc1 ZINC000886104919 627105680 /nfs/dbraw/zinc/10/56/80/627105680.db2.gz NQFFNSOWZJTFHV-GFCCVEGCSA-N 1 1 301.346 3.239 20 5 DGBDMO C[N@@H+](CCc1ccccc1[N+](=O)[O-])C[C@H]1CC[C@@H](C2CC2)O1 ZINC000886201420 627120779 /nfs/dbraw/zinc/12/07/79/627120779.db2.gz DLJWKPKHRZQDSB-WBVHZDCISA-N 1 1 304.390 3.027 20 5 DGBDMO O=[N+]([O-])c1ccc([C@@H]2CCC[N@@H+](C[C@@H]3C[C@]34CCOC4)C2)cc1 ZINC000886231992 627124762 /nfs/dbraw/zinc/12/47/62/627124762.db2.gz NZWZSWFYPIXVPJ-RYRKJORJSA-N 1 1 316.401 3.201 20 5 DGBDMO O=[N+]([O-])c1ccc([C@@H]2CCC[N@@H+](C[C@H]3C[C@]34CCOC4)C2)cc1 ZINC000886231991 627124822 /nfs/dbraw/zinc/12/48/22/627124822.db2.gz NZWZSWFYPIXVPJ-NUJGCVRESA-N 1 1 316.401 3.201 20 5 DGBDMO C[C@]1(c2cccc(F)c2)CC[N@H+](Cc2cccnc2[N+](=O)[O-])C1 ZINC000886267143 627127747 /nfs/dbraw/zinc/12/77/47/627127747.db2.gz GYRDNCUSOLQIJI-KRWDZBQOSA-N 1 1 315.348 3.293 20 5 DGBDMO C[C@]1(c2cccc(F)c2)CC[N@@H+](Cc2cccnc2[N+](=O)[O-])C1 ZINC000886267143 627127748 /nfs/dbraw/zinc/12/77/48/627127748.db2.gz GYRDNCUSOLQIJI-KRWDZBQOSA-N 1 1 315.348 3.293 20 5 DGBDMO O=[N+]([O-])c1ncccc1C[N@H+]1C[C@@H]2C[C@@H](c3ccccc3)[C@@H]2C1 ZINC000886301042 627133404 /nfs/dbraw/zinc/13/34/04/627133404.db2.gz UVZKGCISYAPCSL-YESZJQIVSA-N 1 1 309.369 3.225 20 5 DGBDMO Cc1ccc(C[N@H+]2CCC[C@H](c3ncccn3)C2)cc1[N+](=O)[O-] ZINC000886689890 627190887 /nfs/dbraw/zinc/19/08/87/627190887.db2.gz JYOZNWMBQZJUCQ-HNNXBMFYSA-N 1 1 312.373 3.073 20 5 DGBDMO Cc1ccc([N+](=O)[O-])cc1[C@H](C)[N@H+]1CC[C@@H]([C@H]2CCCO2)C1 ZINC000886822201 627208812 /nfs/dbraw/zinc/20/88/12/627208812.db2.gz NPMNSCSUCOCLDV-JJRVBVJISA-N 1 1 304.390 3.465 20 5 DGBDMO CCC[N@@H+](CC)C[C@H](C)NC(=S)Nc1ccc([N+](=O)[O-])cc1 ZINC000811721676 627311989 /nfs/dbraw/zinc/31/19/89/627311989.db2.gz LAOSFTDTQZJZJD-LBPRGKRZSA-N 1 1 324.450 3.002 20 5 DGBDMO CCC[N@@H+](CC)C[C@H](C)Nc1cc(OC)cc(F)c1[N+](=O)[O-] ZINC000811869178 627331699 /nfs/dbraw/zinc/33/16/99/627331699.db2.gz GKELHIGLLJTJPV-NSHDSACASA-N 1 1 313.373 3.275 20 5 DGBDMO Cc1cc([N+](=O)[O-])cc(Cl)c1N1CC[C@]2(CC[N@H+](C)C2)C1 ZINC000813635851 627505085 /nfs/dbraw/zinc/50/50/85/627505085.db2.gz IRYLMBPUKDCCKF-HNNXBMFYSA-N 1 1 309.797 3.089 20 5 DGBDMO CCc1ccc([C@H]2CC[N@H+](Cn3cc([N+](=O)[O-])c(C)n3)C2)cc1 ZINC000814225224 627552596 /nfs/dbraw/zinc/55/25/96/627552596.db2.gz PRPHXWULHORDGZ-INIZCTEOSA-N 1 1 314.389 3.109 20 5 DGBDMO CCc1ccc([C@H]2CC[N@@H+](Cn3cc([N+](=O)[O-])c(C)n3)C2)cc1 ZINC000814225224 627552597 /nfs/dbraw/zinc/55/25/97/627552597.db2.gz PRPHXWULHORDGZ-INIZCTEOSA-N 1 1 314.389 3.109 20 5 DGBDMO Cc1c(C[NH2+][C@H](C)c2cn3c(n2)CCCC3)cccc1[N+](=O)[O-] ZINC000926267866 627872476 /nfs/dbraw/zinc/87/24/76/627872476.db2.gz BCRJQHYBWZBSES-CYBMUJFWSA-N 1 1 314.389 3.287 20 5 DGBDMO CO[C@H]1CC[N@H+](Cc2ccc([N+](=O)[O-])c(Cl)c2)CC1(C)C ZINC000824820536 628697590 /nfs/dbraw/zinc/69/75/90/628697590.db2.gz HJUZSRDYEYTYQF-AWEZNQCLSA-N 1 1 312.797 3.495 20 5 DGBDMO CO[C@H]1CC[N@@H+](Cc2ccc([N+](=O)[O-])c(Cl)c2)CC1(C)C ZINC000824820536 628697593 /nfs/dbraw/zinc/69/75/93/628697593.db2.gz HJUZSRDYEYTYQF-AWEZNQCLSA-N 1 1 312.797 3.495 20 5 DGBDMO C[N@@H+](Cc1ccc([N+](=O)[O-])c(Cl)c1)[C@@H](CO)CC(C)(C)C ZINC000825040450 628719706 /nfs/dbraw/zinc/71/97/06/628719706.db2.gz KQPLXLWKMUAVLC-GFCCVEGCSA-N 1 1 314.813 3.477 20 5 DGBDMO O=[N+]([O-])c1ccc(C[N@H+]2CC[C@@H](c3cccnc3)C2)cc1F ZINC000829522394 629165720 /nfs/dbraw/zinc/16/57/20/629165720.db2.gz GHSPKJGTLXEIRS-CQSZACIVSA-N 1 1 301.321 3.118 20 5 DGBDMO C[C@H]1CC2(C[N@H+]1Cc1ccc([N+](=O)[O-])c(F)c1)CCOCC2 ZINC000830603180 629287371 /nfs/dbraw/zinc/28/73/71/629287371.db2.gz KIKAOCXQQJSVNQ-LBPRGKRZSA-N 1 1 308.353 3.125 20 5 DGBDMO O=[N+]([O-])c1ccc([C@@H](O)C[N@H+]2CCCC[C@H]2C2CCC2)cc1 ZINC000830989209 629327372 /nfs/dbraw/zinc/32/73/72/629327372.db2.gz UMGFSXXFTAHBFP-IRXDYDNUSA-N 1 1 304.390 3.283 20 5 DGBDMO CC(C)[N@H+]1CCCC[C@H]1COC(=O)c1ccc([N+](=O)[O-])cc1F ZINC000837454142 630260422 /nfs/dbraw/zinc/26/04/22/630260422.db2.gz DQOUHOZYWJEPOL-ZDUSSCGKSA-N 1 1 324.352 3.154 20 5 DGBDMO C[C@@H]1[C@H](C)C[N@@H+](CCC(=O)Nc2cc([N+](=O)[O-])ccc2F)[C@H]1C ZINC000842165173 630501238 /nfs/dbraw/zinc/50/12/38/630501238.db2.gz AJYXRTQSSLGRTI-UTUOFQBUSA-N 1 1 323.368 3.039 20 5 DGBDMO CC(C)[C@@H]1[N@@H+](C[C@@H](O)c2ccc([N+](=O)[O-])cc2)CC12CC=CC2 ZINC000843297880 630643704 /nfs/dbraw/zinc/64/37/04/630643704.db2.gz WERIOEWXELYNNF-SJORKVTESA-N 1 1 316.401 3.305 20 5 DGBDMO CCCN(Cc1cc([N+](=O)[O-])ccc1Cl)[C@@H]1CC[N@@H+](C)C1 ZINC000843421691 630655496 /nfs/dbraw/zinc/65/54/96/630655496.db2.gz FOIQQBHCNDHOPV-CQSZACIVSA-N 1 1 311.813 3.164 20 5 DGBDMO O=[N+]([O-])c1ccc(F)cc1C[N@@H+]1CCC[C@]2(CC2(F)F)C1 ZINC000844437392 630729349 /nfs/dbraw/zinc/72/93/49/630729349.db2.gz KJSKDXBYJZBHOE-ZDUSSCGKSA-N 1 1 300.280 3.355 20 5 DGBDMO O=[N+]([O-])c1ccc(F)cc1C[N@H+]1CCC[C@]2(CC2(F)F)C1 ZINC000844437392 630729350 /nfs/dbraw/zinc/72/93/50/630729350.db2.gz KJSKDXBYJZBHOE-ZDUSSCGKSA-N 1 1 300.280 3.355 20 5 DGBDMO C[C@@H](CCO)[N@@H+](C)Cc1cc(Cl)cc(Cl)c1[N+](=O)[O-] ZINC000844445972 630730820 /nfs/dbraw/zinc/73/08/20/630730820.db2.gz ATAPTYRZZPDBTO-QMMMGPOBSA-N 1 1 307.177 3.104 20 5 DGBDMO C[C@@H]1C[N@H+](Cn2nccc2[N+](=O)[O-])CCc2ccc(Cl)cc21 ZINC000844729441 630815333 /nfs/dbraw/zinc/81/53/33/630815333.db2.gz MUYHKNHSBPZZCN-LLVKDONJSA-N 1 1 320.780 3.064 20 5 DGBDMO C[C@@H]1C[N@@H+](Cn2nccc2[N+](=O)[O-])CCc2ccc(Cl)cc21 ZINC000844729441 630815339 /nfs/dbraw/zinc/81/53/39/630815339.db2.gz MUYHKNHSBPZZCN-LLVKDONJSA-N 1 1 320.780 3.064 20 5 DGBDMO C[C@H](O)C[N@H+](Cc1cc(Cl)cc(Cl)c1[N+](=O)[O-])C1CC1 ZINC000847105871 631407868 /nfs/dbraw/zinc/40/78/68/631407868.db2.gz NRKNOQYAAJYOLO-QMMMGPOBSA-N 1 1 319.188 3.247 20 5 DGBDMO C[C@H](O)C[N@@H+](Cc1cc(Cl)cc(Cl)c1[N+](=O)[O-])C1CC1 ZINC000847105871 631407871 /nfs/dbraw/zinc/40/78/71/631407871.db2.gz NRKNOQYAAJYOLO-QMMMGPOBSA-N 1 1 319.188 3.247 20 5 DGBDMO O=[N+]([O-])c1cccc2c1CC[C@H]2[NH2+]Cc1ccccc1[N+](=O)[O-] ZINC000848533293 631681708 /nfs/dbraw/zinc/68/17/08/631681708.db2.gz QIJWAUAPDYHPRK-CQSZACIVSA-N 1 1 313.313 3.280 20 5 DGBDMO O=[N+]([O-])c1cccc([C@@H](O)C[N@@H+]2CC[C@H]2c2ccc(F)cc2)c1 ZINC000849326335 631892775 /nfs/dbraw/zinc/89/27/75/631892775.db2.gz HEHGDQPBXRRAFS-IRXDYDNUSA-N 1 1 316.332 3.214 20 5 DGBDMO O=[N+]([O-])c1cccc([C@@H](O)C[N@H+]2CC[C@H]2c2ccc(F)cc2)c1 ZINC000849326335 631892782 /nfs/dbraw/zinc/89/27/82/631892782.db2.gz HEHGDQPBXRRAFS-IRXDYDNUSA-N 1 1 316.332 3.214 20 5 DGBDMO C[C@@H](CO)[C@@H]1CCCC[N@H+]1Cc1cc(Cl)ccc1[N+](=O)[O-] ZINC000852422932 632602834 /nfs/dbraw/zinc/60/28/34/632602834.db2.gz NTVNJQGWCCSNGJ-FZMZJTMJSA-N 1 1 312.797 3.231 20 5 DGBDMO C[C@H]1CCC[N@@H+](Cc2cc(Cl)ccc2[N+](=O)[O-])[C@@H]1CCO ZINC000852455991 632605889 /nfs/dbraw/zinc/60/58/89/632605889.db2.gz HMTASBUPIVHJDC-SMDDNHRTSA-N 1 1 312.797 3.231 20 5 DGBDMO Cc1ccncc1[C@H](C)[NH2+]Cc1ccc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000792874566 660990445 /nfs/dbraw/zinc/99/04/45/660990445.db2.gz FPALMZDAYGHITK-NSHDSACASA-N 1 1 316.317 3.057 20 5 DGBDMO O=[N+]([O-])c1ccc(Cl)cc1C[N@@H+]1CCOC[C@H](C2CCC2)C1 ZINC000795288456 661138730 /nfs/dbraw/zinc/13/87/30/661138730.db2.gz ZGUMLCFWGLDKMO-CQSZACIVSA-N 1 1 324.808 3.497 20 5 DGBDMO O=[N+]([O-])c1ccc(Cl)cc1C[N@H+]1CCOC[C@H](C2CCC2)C1 ZINC000795288456 661138732 /nfs/dbraw/zinc/13/87/32/661138732.db2.gz ZGUMLCFWGLDKMO-CQSZACIVSA-N 1 1 324.808 3.497 20 5 DGBDMO C[C@@H](C[NH2+]Cc1ccc([N+](=O)[O-])cc1Cl)N1CCCCC1 ZINC000049963807 655628371 /nfs/dbraw/zinc/62/83/71/655628371.db2.gz JVBDZWVXHNVQNZ-LBPRGKRZSA-N 1 1 311.813 3.212 20 5 DGBDMO Cn1cc(C[N@H+]2C[C@H](c3ccccc3)CC2(C)C)c([N+](=O)[O-])n1 ZINC000932898753 655642799 /nfs/dbraw/zinc/64/27/99/655642799.db2.gz OONAZSQCAOWDFB-CQSZACIVSA-N 1 1 314.389 3.096 20 5 DGBDMO C[C@H]1CC[C@@H](c2ccccc2)[N@H+](Cn2nccc2[N+](=O)[O-])C1 ZINC000795706895 661169086 /nfs/dbraw/zinc/16/90/86/661169086.db2.gz UNSLVDWFSQLMTD-ZFWWWQNUSA-N 1 1 300.362 3.222 20 5 DGBDMO C[C@H]1CC[C@@H](c2ccccc2)[N@@H+](Cn2nccc2[N+](=O)[O-])C1 ZINC000795706895 661169088 /nfs/dbraw/zinc/16/90/88/661169088.db2.gz UNSLVDWFSQLMTD-ZFWWWQNUSA-N 1 1 300.362 3.222 20 5 DGBDMO Cc1cc(N[C@H](C)[C@H]2CCC[NH2+]C2)c2cc([N+](=O)[O-])ccc2n1 ZINC000261845783 655653984 /nfs/dbraw/zinc/65/39/84/655653984.db2.gz JAIRYLZFCABPNM-OLZOCXBDSA-N 1 1 314.389 3.251 20 5 DGBDMO CCc1ccc([C@@H]2CCC[N@H+](Cn3nccc3[N+](=O)[O-])C2)cc1 ZINC000795726853 661170029 /nfs/dbraw/zinc/17/00/29/661170029.db2.gz GXJBXBYGJPLCLX-MRXNPFEDSA-N 1 1 314.389 3.191 20 5 DGBDMO CCc1ccc([C@@H]2CCC[N@@H+](Cn3nccc3[N+](=O)[O-])C2)cc1 ZINC000795726853 661170030 /nfs/dbraw/zinc/17/00/30/661170030.db2.gz GXJBXBYGJPLCLX-MRXNPFEDSA-N 1 1 314.389 3.191 20 5 DGBDMO COc1ccc([C@H]2CCC[N@@H+]2Cc2ccc([N+](=O)[O-])cc2)nc1 ZINC000934350373 655770141 /nfs/dbraw/zinc/77/01/41/655770141.db2.gz YFDDFHLVWQDUCK-QGZVFWFLSA-N 1 1 313.357 3.336 20 5 DGBDMO COc1ccc([C@H]2CCC[N@H+]2Cc2ccc([N+](=O)[O-])cc2)nc1 ZINC000934350373 655770143 /nfs/dbraw/zinc/77/01/43/655770143.db2.gz YFDDFHLVWQDUCK-QGZVFWFLSA-N 1 1 313.357 3.336 20 5 DGBDMO C[C@H]1C[C@@H](Nc2cc(Cl)c(F)cc2[N+](=O)[O-])CC[N@H+]1C ZINC000235738768 655926245 /nfs/dbraw/zinc/92/62/45/655926245.db2.gz NXWHICIKQCDUNF-IUCAKERBSA-N 1 1 301.749 3.282 20 5 DGBDMO C[N@H+](CCCF)Cc1cccc([N+](=O)[O-])c1Br ZINC000716640789 661225937 /nfs/dbraw/zinc/22/59/37/661225937.db2.gz ZAOJTCZFJGQBJU-UHFFFAOYSA-N 1 1 305.147 3.149 20 5 DGBDMO C[N@@H+](CCCF)Cc1cccc([N+](=O)[O-])c1Br ZINC000716640789 661225939 /nfs/dbraw/zinc/22/59/39/661225939.db2.gz ZAOJTCZFJGQBJU-UHFFFAOYSA-N 1 1 305.147 3.149 20 5 DGBDMO C[N@@H+](Cc1ccccc1[N+](=O)[O-])C[C@H](O)c1ccc(F)cc1F ZINC000051322867 656142176 /nfs/dbraw/zinc/14/21/76/656142176.db2.gz YLEVLXHUJSXSMZ-INIZCTEOSA-N 1 1 322.311 3.038 20 5 DGBDMO C[N@H+](Cc1ccccc1[N+](=O)[O-])C[C@H](O)c1ccc(F)cc1F ZINC000051322867 656142178 /nfs/dbraw/zinc/14/21/78/656142178.db2.gz YLEVLXHUJSXSMZ-INIZCTEOSA-N 1 1 322.311 3.038 20 5 DGBDMO O=[N+]([O-])c1ccc(Cl)cc1C[N@H+](CCO)C1CCCCC1 ZINC000093097788 656266951 /nfs/dbraw/zinc/26/69/51/656266951.db2.gz UHIQQKHSEVYDRO-UHFFFAOYSA-N 1 1 312.797 3.375 20 5 DGBDMO O=[N+]([O-])c1ccc(CN2CCC([C@@H]3CCC[NH2+]3)CC2)c(Cl)c1 ZINC000261947882 657237295 /nfs/dbraw/zinc/23/72/95/657237295.db2.gz MOROEGJTLDIWQL-INIZCTEOSA-N 1 1 323.824 3.212 20 5 DGBDMO O=[N+]([O-])c1ccc(CN2CCC([C@H]3CCC[NH2+]3)CC2)cc1Cl ZINC000261962665 657265398 /nfs/dbraw/zinc/26/53/98/657265398.db2.gz PKYRXXQHDIGNEG-OAHLLOKOSA-N 1 1 323.824 3.212 20 5 DGBDMO C[N@H+]1CCC[C@H]2CN(Cc3cc([N+](=O)[O-])ccc3Cl)CC[C@H]21 ZINC000252644146 657603457 /nfs/dbraw/zinc/60/34/57/657603457.db2.gz NLGFTDGLEWHMDR-BLLLJJGKSA-N 1 1 323.824 3.164 20 5 DGBDMO CC[C@H](C)C[N@@H+](CC)Cn1cnc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000174947029 658847586 /nfs/dbraw/zinc/84/75/86/658847586.db2.gz YZRMRYHSUVTCSK-ZDUSSCGKSA-N 1 1 317.393 3.179 20 5 DGBDMO C[N@@H+](CCNCc1ccc([N+](=O)[O-])cc1Cl)C1CCCC1 ZINC000071377221 660119031 /nfs/dbraw/zinc/11/90/31/660119031.db2.gz ISTVNORCPJQLPL-UHFFFAOYSA-N 1 1 311.813 3.212 20 5 DGBDMO CC(C)n1c2ccccc2nc1[C@@H]1CCC[N@H+](CC[N+](=O)[O-])C1 ZINC000929978927 661354958 /nfs/dbraw/zinc/35/49/58/661354958.db2.gz UNNBCEPBFVTJAH-CQSZACIVSA-N 1 1 316.405 3.073 20 5 DGBDMO CC(C)n1c2ccccc2nc1[C@@H]1CCC[N@@H+](CC[N+](=O)[O-])C1 ZINC000929978927 661354962 /nfs/dbraw/zinc/35/49/62/661354962.db2.gz UNNBCEPBFVTJAH-CQSZACIVSA-N 1 1 316.405 3.073 20 5 DGBDMO COC/C(C)=C\C[N@H+]1CCC[C@@H](c2ccc([N+](=O)[O-])cc2)C1 ZINC000930636369 661417693 /nfs/dbraw/zinc/41/76/93/661417693.db2.gz GBNKLPDGXXFOKR-IHWMJMDHSA-N 1 1 304.390 3.367 20 5 DGBDMO CC(C)(C)[C@@H]1CSCC[N@H+]1C[C@H](O)c1cccc([N+](=O)[O-])c1 ZINC000931597882 661491781 /nfs/dbraw/zinc/49/17/81/661491781.db2.gz XUVICOVCGCLBRJ-GJZGRUSLSA-N 1 1 324.446 3.092 20 5 DGBDMO C[C@@H](c1cccc([N+](=O)[O-])c1)[N@H+]1CCC[C@H](c2ccn(C)n2)C1 ZINC000932140075 661541534 /nfs/dbraw/zinc/54/15/34/661541534.db2.gz VABMSCUUHFIUEI-ZFWWWQNUSA-N 1 1 314.389 3.269 20 5 DGBDMO COc1ccc([N+](=O)[O-])cc1C[NH2+][C@@H](c1ccccn1)C1CC1 ZINC000932374842 661562824 /nfs/dbraw/zinc/56/28/24/661562824.db2.gz FOBBGFJSJDTTSC-QGZVFWFLSA-N 1 1 313.357 3.239 20 5 DGBDMO O=[N+]([O-])c1cccc([C@H](O)C[N@H+]2C[C@H](C3CC3)C[C@@H]2C2CC2)c1 ZINC000932888631 661606473 /nfs/dbraw/zinc/60/64/73/661606473.db2.gz BERIZMNJQDWIOP-KBAYOESNSA-N 1 1 316.401 3.139 20 5 DGBDMO CC1(C)C[C@H](c2ccccc2)C[N@H+]1CCn1ccc([N+](=O)[O-])n1 ZINC000932905496 661607872 /nfs/dbraw/zinc/60/78/72/661607872.db2.gz XGQKCFZDILWUBS-HNNXBMFYSA-N 1 1 314.389 3.059 20 5 DGBDMO CO[C@@H]1CC[C@H]1[N@@H+](C)Cc1cc([N+](=O)[O-])ccc1C(F)(F)F ZINC000934112060 661680860 /nfs/dbraw/zinc/68/08/60/661680860.db2.gz QKZSVJBBYULFOP-CHWSQXEVSA-N 1 1 318.295 3.223 20 5 DGBDMO COc1ccc([C@@H]2CCC[N@@H+]2Cc2ccccc2[N+](=O)[O-])nc1 ZINC000934341634 661699947 /nfs/dbraw/zinc/69/99/47/661699947.db2.gz OODJTNUUHXVSOG-KRWDZBQOSA-N 1 1 313.357 3.336 20 5 DGBDMO COc1ccc([C@@H]2CCC[N@H+]2Cc2ccccc2[N+](=O)[O-])nc1 ZINC000934341634 661699948 /nfs/dbraw/zinc/69/99/48/661699948.db2.gz OODJTNUUHXVSOG-KRWDZBQOSA-N 1 1 313.357 3.336 20 5 DGBDMO C[C@@H]1C[C@@H]([N@H+]2CCC[C@H](c3ccc([N+](=O)[O-])cc3)C2)CCO1 ZINC000957131384 662352618 /nfs/dbraw/zinc/35/26/18/662352618.db2.gz RDAJKCOALTWWBT-KMFMINBZSA-N 1 1 304.390 3.342 20 5 DGBDMO C[C@@H]1CCCC[C@@]1(CN)[NH2+]Cc1ccc(Cl)c([N+](=O)[O-])c1 ZINC001576689975 1191862930 /nfs/dbraw/zinc/86/29/30/1191862930.db2.gz GGWOYFXZUHSXQY-ABAIWWIYSA-N 1 1 311.813 3.245 20 5 DGBDMO C[C@@H](c1ccccc1[N+](=O)[O-])[N@@H+]1Cc2c[nH]nc2C[C@@H](C)C1 ZINC001620582757 1192009799 /nfs/dbraw/zinc/00/97/99/1192009799.db2.gz QZZJHTVTEWCSOE-NEPJUHHUSA-N 1 1 300.362 3.073 20 5 DGBDMO CCCC1CC[NH+](CC(=O)Nc2c(C)cccc2[N+](=O)[O-])CC1 ZINC001334391313 1178758370 /nfs/dbraw/zinc/75/83/70/1178758370.db2.gz XELPMDYKAPERPO-UHFFFAOYSA-N 1 1 319.405 3.354 20 5 DGBDMO CN(C)[C@H]1CCCC[C@H]1[NH2+]Cc1ccc([N+](=O)[O-])cc1Cl ZINC001342323267 1179130389 /nfs/dbraw/zinc/13/03/89/1179130389.db2.gz APDDTMLFMLNHBN-CABCVRRESA-N 1 1 311.813 3.211 20 5 DGBDMO CC[N@@H+](CCC(=O)Nc1ccc(OC)cc1[N+](=O)[O-])C(C)(C)C ZINC001348459753 1179835618 /nfs/dbraw/zinc/83/56/18/1179835618.db2.gz PSWJGXSONSJJBL-UHFFFAOYSA-N 1 1 323.393 3.052 20 5 DGBDMO CC[N@H+]1CCC[C@@H]1CNc1ncc([N+](=O)[O-])c2ccccc21 ZINC001472637596 1180782209 /nfs/dbraw/zinc/78/22/09/1180782209.db2.gz ZXVVNUGTOBBMDJ-GFCCVEGCSA-N 1 1 300.362 3.039 20 5 DGBDMO C[C@@H]1CCC[C@H](C[N@H+]2CC[C@H](Nc3ccc([N+](=O)[O-])cn3)C2)C1 ZINC001459702347 1182606670 /nfs/dbraw/zinc/60/66/70/1182606670.db2.gz VUSCIECIHIHNAP-ILXRZTDVSA-N 1 1 318.421 3.302 20 5 DGBDMO Cn1cc(C[N@H+]2CCC[C@@H]2CCC2CCCC2)c([N+](=O)[O-])n1 ZINC001459769340 1182613213 /nfs/dbraw/zinc/61/32/13/1182613213.db2.gz GROWIQBLQWFVNU-OAHLLOKOSA-N 1 1 306.410 3.263 20 5 DGBDMO CC(C)C[C@H]1C[N@H+](C)CCN1c1ccc([N+](=O)[O-])cc1Cl ZINC001472885717 1183696088 /nfs/dbraw/zinc/69/60/88/1183696088.db2.gz GTFGSWVSIXVCMM-ZDUSSCGKSA-N 1 1 311.813 3.415 20 5 DGBDMO CC(C)C[C@H]1C[N@@H+](C)CCN1c1ccc([N+](=O)[O-])cc1Cl ZINC001472885717 1183696092 /nfs/dbraw/zinc/69/60/92/1183696092.db2.gz GTFGSWVSIXVCMM-ZDUSSCGKSA-N 1 1 311.813 3.415 20 5 DGBDMO C[C@H]1[C@H](c2ccccc2)c2ccccc2CC[N@H+]1CC[N+](=O)[O-] ZINC001473286817 1183739089 /nfs/dbraw/zinc/73/90/89/1183739089.db2.gz NUEYNAXXCBSNAO-HNAYVOBHSA-N 1 1 310.397 3.342 20 5 DGBDMO CC(C)(C)[C@H]1CSCC[N@H+]1CCOc1ccccc1[N+](=O)[O-] ZINC001473751374 1183797306 /nfs/dbraw/zinc/79/73/06/1183797306.db2.gz UFPIRODABOCHQM-OAHLLOKOSA-N 1 1 324.446 3.437 20 5 DGBDMO CC[C@@H]1CCCCC[N@H+]1Cc1ccc(O)c(OC)c1[N+](=O)[O-] ZINC001474321795 1183904231 /nfs/dbraw/zinc/90/42/31/1183904231.db2.gz SVYUPRYMAZKSCT-CYBMUJFWSA-N 1 1 308.378 3.464 20 5 DGBDMO C[N@H+]1CCC[C@@H](CNc2cc(C(F)(F)F)ccc2[N+](=O)[O-])C1 ZINC001559101543 1189170844 /nfs/dbraw/zinc/17/08/44/1189170844.db2.gz LSSIUPQFJBDZBG-JTQLQIEISA-N 1 1 317.311 3.367 20 5 DGBDMO C[N@H+]1CCCC[C@H]1CNc1nc2ccccc2cc1[N+](=O)[O-] ZINC001559295951 1189193793 /nfs/dbraw/zinc/19/37/93/1189193793.db2.gz VIRPQNCXLGXPHJ-ZDUSSCGKSA-N 1 1 300.362 3.039 20 5 DGBDMO C[C@H]1CCCC[C@@H]1[N@@H+](C)CCC(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC001559752076 1189238234 /nfs/dbraw/zinc/23/82/34/1189238234.db2.gz RNLOOUVIZJKRBW-BBRMVZONSA-N 1 1 319.405 3.434 20 5 DGBDMO C[C@@H]1CCCC[C@@H]1[N@@H+](C)CCC(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC001559752077 1189238506 /nfs/dbraw/zinc/23/85/06/1189238506.db2.gz RNLOOUVIZJKRBW-CJNGLKHVSA-N 1 1 319.405 3.434 20 5 DGBDMO CC[C@@H]1CC[N@@H+](Cc2cc(C(=O)OC)ccc2[N+](=O)[O-])[C@H]1C ZINC001559769758 1189240380 /nfs/dbraw/zinc/24/03/80/1189240380.db2.gz SEKDNZHKORNMRI-NWDGAFQWSA-N 1 1 306.362 3.002 20 5 DGBDMO CC[C@@H]1CC[C@H](C)[N@@H+](Cc2nc3cc([N+](=O)[O-])ccc3[nH]2)C1 ZINC001559836017 1189247146 /nfs/dbraw/zinc/24/71/46/1189247146.db2.gz DOXATALMVDZYAD-NWDGAFQWSA-N 1 1 302.378 3.482 20 5 DGBDMO Cc1ncc([N+](=O)[O-])n1CC[N@H+]1CCCC2(CCCC2)CC1 ZINC001559991934 1189266535 /nfs/dbraw/zinc/26/65/35/1189266535.db2.gz KXISJTBXQQFYLM-UHFFFAOYSA-N 1 1 306.410 3.146 20 5 DGBDMO O=[N+]([O-])c1ccc(C[N@@H+]2CC[C@@H](c3ncccn3)C2)c(Cl)c1 ZINC001560176970 1189287625 /nfs/dbraw/zinc/28/76/25/1189287625.db2.gz KSMWGQUYSBMZKJ-GFCCVEGCSA-N 1 1 318.764 3.028 20 5 DGBDMO O=[N+]([O-])c1ccc(C[N@H+]2CC[C@@H](c3ncccn3)C2)c(Cl)c1 ZINC001560176970 1189287629 /nfs/dbraw/zinc/28/76/29/1189287629.db2.gz KSMWGQUYSBMZKJ-GFCCVEGCSA-N 1 1 318.764 3.028 20 5 DGBDMO O=[N+]([O-])c1ccccc1OCC[N@H+]1CCCSC[C@@H]1C1CC1 ZINC001560188922 1189289268 /nfs/dbraw/zinc/28/92/68/1189289268.db2.gz YJABAFHWIWSZHU-OAHLLOKOSA-N 1 1 322.430 3.191 20 5 DGBDMO CCc1cc(C[NH2+]Cc2ccc(C(C)C)c([N+](=O)[O-])c2)[nH]n1 ZINC001560328987 1189312407 /nfs/dbraw/zinc/31/24/07/1189312407.db2.gz PMRRIKDYCHYONR-UHFFFAOYSA-N 1 1 302.378 3.294 20 5 DGBDMO C[C@H](c1ccccc1[N+](=O)[O-])N1C[C@@H]2CCCC[C@]2(C[NH3+])C1 ZINC001576315830 1191560479 /nfs/dbraw/zinc/56/04/79/1191560479.db2.gz MWJCPQVUPAKYSK-KEYYUXOJSA-N 1 1 303.406 3.107 20 5 DGBDMO CC(C)(C)[C@@H]1CSCC[N@H+]1CCOc1cccc([N+](=O)[O-])c1 ZINC001620533991 1193776989 /nfs/dbraw/zinc/77/69/89/1193776989.db2.gz DUJZSEJMTNFSAV-HNNXBMFYSA-N 1 1 324.446 3.437 20 5 DGBDMO C[C@H]([NH2+]Cc1nc2ccccc2n1C)c1ccc([N+](=O)[O-])cc1 ZINC001620570679 1193780088 /nfs/dbraw/zinc/78/00/88/1193780088.db2.gz DMHWEBKWEMJEAX-LBPRGKRZSA-N 1 1 310.357 3.332 20 5 DGBDMO O=[N+]([O-])c1cccc([C@@H](O)C[N@H+]2C[C@@H](C3CC3)C[C@H]2C2CC2)c1 ZINC001620629750 1193785235 /nfs/dbraw/zinc/78/52/35/1193785235.db2.gz BERIZMNJQDWIOP-SZMVWBNQSA-N 1 1 316.401 3.139 20 5 DGBDMO Cn1cc(C[N@H+]2CCCCC23CCCCCC3)c([N+](=O)[O-])n1 ZINC001620675815 1193789887 /nfs/dbraw/zinc/78/98/87/1193789887.db2.gz CZRMBTMLEZPAHT-UHFFFAOYSA-N 1 1 306.410 3.407 20 5 DGBDMO CC(C)c1ccc(CN[C@@H]2CC[C@H]3C[N@@H+](C)C[C@H]32)cc1[N+](=O)[O-] ZINC001621108430 1193803953 /nfs/dbraw/zinc/80/39/53/1193803953.db2.gz OUUBKJKDWAIGTH-USXIJHARSA-N 1 1 317.433 3.148 20 5 DGBDMO Cn1cc([N+](=O)[O-])c(Nc2ccc([NH+]3CCCCCC3)cc2)n1 ZINC001639198211 1194755119 /nfs/dbraw/zinc/75/51/19/1194755119.db2.gz YSAIBTJVLURGIB-UHFFFAOYSA-N 1 1 315.377 3.452 20 5 DGBDMO C[C@H](CNc1nc2cc([N+](=O)[O-])ccc2[nH]1)[N@H+]1CCCC[C@@H]1C ZINC001642072600 1194886760 /nfs/dbraw/zinc/88/67/60/1194886760.db2.gz JQXOLDCHKUWGIG-NWDGAFQWSA-N 1 1 317.393 3.146 20 5 DGBDMO CC[N@H+]1CCC[C@H](CNc2nc3c(cc2[N+](=O)[O-])CCCC3)C1 ZINC001642154349 1194890775 /nfs/dbraw/zinc/89/07/75/1194890775.db2.gz WPEIGNSPKSYCMS-CYBMUJFWSA-N 1 1 318.421 3.012 20 5 DGBDMO CCC[N@@H+](CC)C[C@H](C)Nc1c(F)cc([N+](=O)[O-])cc1F ZINC001642757866 1194935584 /nfs/dbraw/zinc/93/55/84/1194935584.db2.gz IHWBZHSSXDGEOJ-JTQLQIEISA-N 1 1 301.337 3.405 20 5 DGBDMO CC[C@@H]1CC[N@@H+](Cc2nc(-c3ccc([N+](=O)[O-])cc3)no2)[C@H]1C ZINC001642792004 1194939811 /nfs/dbraw/zinc/93/98/11/1194939811.db2.gz WMDALIXOWSNLCJ-NWDGAFQWSA-N 1 1 316.361 3.265 20 5 DGBDMO COCC[N@@H+](Cc1ccc(F)cc1[N+](=O)[O-])[C@@H]1CC[C@@H](C)C1 ZINC001642938216 1194955502 /nfs/dbraw/zinc/95/55/02/1194955502.db2.gz NUSKTSKFSNHKIC-IUODEOHRSA-N 1 1 310.369 3.371 20 5 DGBDMO C[N@H+]1CCC[C@@H]1CNc1cccc(C(F)(F)F)c1[N+](=O)[O-] ZINC001642947847 1194955814 /nfs/dbraw/zinc/95/58/14/1194955814.db2.gz QXSOMBWEIRUUGY-SECBINFHSA-N 1 1 303.284 3.120 20 5 DGBDMO C[N@H+]1CC[C@H]1CNc1cc(Cl)c(C(F)(F)F)cc1[N+](=O)[O-] ZINC001643213718 1195005377 /nfs/dbraw/zinc/00/53/77/1195005377.db2.gz KBBHNHABZCLRGL-ZETCQYMHSA-N 1 1 323.702 3.383 20 5 DGBDMO Cc1ccc([N+](=O)[O-])cc1[C@H](C)[N@@H+]1C[C@@H]2C[C@H](O)CC[C@@H]2C1 ZINC001643810958 1195056354 /nfs/dbraw/zinc/05/63/54/1195056354.db2.gz HOEBVSRXNFYQJE-KNCOVGOOSA-N 1 1 304.390 3.057 20 5 DGBDMO CC[N@@H+](CC[N+](=O)[O-])[C@@H](C)Cc1ccc(C(F)(F)F)cc1 ZINC001643905257 1195061886 /nfs/dbraw/zinc/06/18/86/1195061886.db2.gz OKTDMMJPYBEWPT-NSHDSACASA-N 1 1 304.312 3.235 20 5 DGBDMO O=[N+]([O-])c1ccc(Br)c(C[N@H+]2CC[C@@H]3C[C@@H]3C2)c1 ZINC001643923805 1195064386 /nfs/dbraw/zinc/06/43/86/1195064386.db2.gz UNMOWWNFCRWUNA-NXEZZACHSA-N 1 1 311.179 3.199 20 5 DGBDMO O=[N+]([O-])c1ccc(Br)c(C[N@@H+]2CC[C@@H]3C[C@@H]3C2)c1 ZINC001643923805 1195064383 /nfs/dbraw/zinc/06/43/83/1195064383.db2.gz UNMOWWNFCRWUNA-NXEZZACHSA-N 1 1 311.179 3.199 20 5 DGBDMO COc1ccc([N+](=O)[O-])cc1C[N@@H+](C)[C@@H]1C[C@@](C)(OC)C1(C)C ZINC001644690336 1195127494 /nfs/dbraw/zinc/12/74/94/1195127494.db2.gz BGCHBCBOHUTIQA-NVXWUHKLSA-N 1 1 322.405 3.239 20 5 DGBDMO CCCCO[C@@H]1C[C@H]([N@H+](C)Cc2cccnc2[N+](=O)[O-])C1(C)C ZINC001644890583 1195140712 /nfs/dbraw/zinc/14/07/12/1195140712.db2.gz JLBQEORXQREVRF-LSDHHAIUSA-N 1 1 321.421 3.405 20 5 DGBDMO CCCCO[C@@H]1C[C@H]([N@@H+](C)Cc2cccnc2[N+](=O)[O-])C1(C)C ZINC001644890583 1195140714 /nfs/dbraw/zinc/14/07/14/1195140714.db2.gz JLBQEORXQREVRF-LSDHHAIUSA-N 1 1 321.421 3.405 20 5 DGBDMO C[N@@H+](CCc1ccccc1[N+](=O)[O-])C[C@H]1CCCC(C)(C)O1 ZINC001645598483 1195194380 /nfs/dbraw/zinc/19/43/80/1195194380.db2.gz BDECKAOQUHFAKV-OAHLLOKOSA-N 1 1 306.406 3.417 20 5 DGBDMO C[N@H+]1CCN(Cc2ccc([N+](=O)[O-])c(F)c2)CC12CCCCC2 ZINC001645733517 1195199946 /nfs/dbraw/zinc/19/99/46/1195199946.db2.gz XDEMHNDPOMHMQV-UHFFFAOYSA-N 1 1 321.396 3.184 20 5 DGBDMO O=[N+]([O-])c1ccccc1C[N@@H+]1CCC[C@@]1(CO)c1ccccc1 ZINC001648635583 1195316369 /nfs/dbraw/zinc/31/63/69/1195316369.db2.gz RWBDPPDXMMHMIG-GOSISDBHSA-N 1 1 312.369 3.078 20 5 DGBDMO Cc1ccc(C[NH2+]Cc2cc3c(cc[nH]c3=O)o2)cc1[N+](=O)[O-] ZINC001651445322 1195462724 /nfs/dbraw/zinc/46/27/24/1195462724.db2.gz DDFQTOAOPUKFAN-UHFFFAOYSA-N 1 1 313.313 3.040 20 5 DGBDMO CC[C@H](C)[N@@H+](C)CCNc1ncc([N+](=O)[O-])c2ccccc21 ZINC001651475339 1195467983 /nfs/dbraw/zinc/46/79/83/1195467983.db2.gz ISDQZHVEMJUTGI-LBPRGKRZSA-N 1 1 302.378 3.285 20 5 DGBDMO CCC[N@H+]1CCCC[C@H]1C(=O)N[C@H](C)c1ccc([N+](=O)[O-])cc1 ZINC001651698919 1195499331 /nfs/dbraw/zinc/49/93/31/1195499331.db2.gz FBJJEHGWIUCJQO-CJNGLKHVSA-N 1 1 319.405 3.037 20 5 DGBDMO Cc1cc(N[C@@H]2CCC[N@H+]3CCCC[C@H]23)c(F)cc1[N+](=O)[O-] ZINC001651993358 1195533600 /nfs/dbraw/zinc/53/36/00/1195533600.db2.gz QCAAPMTWSCSFQC-UKRRQHHQSA-N 1 1 307.369 3.471 20 5 DGBDMO Cc1cc(C[NH+]2CCN(c3ccccc3[N+](=O)[O-])CC2)cs1 ZINC001652083222 1195544698 /nfs/dbraw/zinc/54/46/98/1195544698.db2.gz MHDFJACVSSPPON-UHFFFAOYSA-N 1 1 317.414 3.287 20 5 DGBDMO Cc1ncc([N+](=O)[O-])n1CC[N@H+]1CCC[C@@H](C(C)(C)C)CC1 ZINC001652508893 1195607861 /nfs/dbraw/zinc/60/78/61/1195607861.db2.gz YYRYWDMVHOUPDG-CQSZACIVSA-N 1 1 308.426 3.248 20 5 DGBDMO Cc1ncc([N+](=O)[O-])n1CC[N@H+]1CCC[C@H](C(C)(C)C)CC1 ZINC001652508892 1195608790 /nfs/dbraw/zinc/60/87/90/1195608790.db2.gz YYRYWDMVHOUPDG-AWEZNQCLSA-N 1 1 308.426 3.248 20 5 DGBDMO CC(C)c1ncc(CNC(=O)c2cc(Cl)cc([N+](=O)[O-])c2)[nH]1 ZINC001652743786 1195644417 /nfs/dbraw/zinc/64/44/17/1195644417.db2.gz WONPLECBKXAKKK-UHFFFAOYSA-N 1 1 322.752 3.025 20 5 DGBDMO CC[C@H]1CCC[N@H+]([C@H](C)C(=O)Nc2ccc([N+](=O)[O-])cc2)CC1 ZINC001653360580 1195714452 /nfs/dbraw/zinc/71/44/52/1195714452.db2.gz RWIUGIQGUSZOMH-KGLIPLIRSA-N 1 1 319.405 3.434 20 5 DGBDMO CCOC(=O)[C@@H](CC)[N@@H+]1CCC[C@H](c2ccc([N+](=O)[O-])cc2)C1 ZINC001653648695 1195740961 /nfs/dbraw/zinc/74/09/61/1195740961.db2.gz HLYICPUXGKSWFA-GOEBONIOSA-N 1 1 320.389 3.116 20 5 DGBDMO CCOC(=O)[C@@H](CC)[N@H+]1CCC[C@H](c2ccc([N+](=O)[O-])cc2)C1 ZINC001653648695 1195740963 /nfs/dbraw/zinc/74/09/63/1195740963.db2.gz HLYICPUXGKSWFA-GOEBONIOSA-N 1 1 320.389 3.116 20 5 DGBDMO Cc1c(CN2CC[N@H+](C)[C@H](C(C)(C)C)C2)cccc1[N+](=O)[O-] ZINC001654906922 1195853638 /nfs/dbraw/zinc/85/36/38/1195853638.db2.gz DIADUZYIYZBFGH-INIZCTEOSA-N 1 1 305.422 3.065 20 5 DGBDMO Cc1c(C[N@H+]2CCN(C)[C@H](C(C)(C)C)C2)cccc1[N+](=O)[O-] ZINC001654906922 1195853639 /nfs/dbraw/zinc/85/36/39/1195853639.db2.gz DIADUZYIYZBFGH-INIZCTEOSA-N 1 1 305.422 3.065 20 5 DGBDMO Cc1c(C[N@@H+]2CCN(C)[C@H](C(C)(C)C)C2)cccc1[N+](=O)[O-] ZINC001654906922 1195853644 /nfs/dbraw/zinc/85/36/44/1195853644.db2.gz DIADUZYIYZBFGH-INIZCTEOSA-N 1 1 305.422 3.065 20 5 DGBDMO C[C@@H]([NH2+]Cc1ccc([N+](=O)[O-])cc1F)c1ccc([N+](=O)[O-])cc1 ZINC001655548514 1195930479 /nfs/dbraw/zinc/93/04/79/1195930479.db2.gz OFLYZXUJRIRKEH-SNVBAGLBSA-N 1 1 319.292 3.493 20 5 DGBDMO C[N@H+]1CCN(c2ccc(C(F)(F)F)cc2[N+](=O)[O-])CC1(C)C ZINC001655624604 1195941683 /nfs/dbraw/zinc/94/16/83/1195941683.db2.gz XTOJLRACKHSLLJ-UHFFFAOYSA-N 1 1 317.311 3.144 20 5 DGBDMO CCC[C@@H]1CCC[N@H+]1CC(=O)Nc1c(C)cccc1[N+](=O)[O-] ZINC001655799802 1195964506 /nfs/dbraw/zinc/96/45/06/1195964506.db2.gz NGVLBDFMONFNSR-CYBMUJFWSA-N 1 1 305.378 3.106 20 5 DGBDMO O=[N+]([O-])c1ccc(Cl)c(Cl)c1N[C@@H]1C[NH+]2CCC1CC2 ZINC001655945032 1195980856 /nfs/dbraw/zinc/98/08/56/1195980856.db2.gz FRLWXBZMWAIEED-SNVBAGLBSA-N 1 1 316.188 3.408 20 5 DGBDMO CC(C)[N@@H+](C)CCNCc1ccc(-c2ccc([N+](=O)[O-])cc2)o1 ZINC001656275150 1196025371 /nfs/dbraw/zinc/02/53/71/1196025371.db2.gz GGIVVZBVDXELRT-UHFFFAOYSA-N 1 1 317.389 3.285 20 5 DGBDMO CC(C)N(C)CC[NH2+]Cc1ccc(-c2ccc([N+](=O)[O-])cc2)o1 ZINC001656275150 1196025375 /nfs/dbraw/zinc/02/53/75/1196025375.db2.gz GGIVVZBVDXELRT-UHFFFAOYSA-N 1 1 317.389 3.285 20 5 DGBDMO COc1ccc([N+](=O)[O-])cc1C[N@H+]1CCCSC[C@H]1C1CC1 ZINC001656314960 1196029120 /nfs/dbraw/zinc/02/91/20/1196029120.db2.gz HSTBJDZBLMRCSP-HNNXBMFYSA-N 1 1 322.430 3.321 20 5 DGBDMO CCC[C@H]1CCC[N@H+]1Cc1cc(C(=O)OC)ccc1[N+](=O)[O-] ZINC001656385126 1196035113 /nfs/dbraw/zinc/03/51/13/1196035113.db2.gz YWUCJQVMDHRZFT-AWEZNQCLSA-N 1 1 306.362 3.146 20 5 DGBDMO CC(C)c1ccc(CN[C@@H]2CC[N@H+]3CCCC[C@H]23)cc1[N+](=O)[O-] ZINC001656798420 1196071696 /nfs/dbraw/zinc/07/16/96/1196071696.db2.gz GWSLXNZZLHRDFQ-IAGOWNOFSA-N 1 1 317.433 3.435 20 5 DGBDMO CC(C)c1ccc(C[NH2+][C@@H]2CCN3CCCC[C@H]23)cc1[N+](=O)[O-] ZINC001656798420 1196071700 /nfs/dbraw/zinc/07/17/00/1196071700.db2.gz GWSLXNZZLHRDFQ-IAGOWNOFSA-N 1 1 317.433 3.435 20 5 DGBDMO CC(C)C[N@@H+](C)Cc1cc([N+](=O)[O-])ccc1Br ZINC001657099382 1196105818 /nfs/dbraw/zinc/10/58/18/1196105818.db2.gz XZNRTRXEIAMUHQ-UHFFFAOYSA-N 1 1 301.184 3.445 20 5 DGBDMO CC(C)C[N@H+](C)Cc1cc([N+](=O)[O-])ccc1Br ZINC001657099382 1196105816 /nfs/dbraw/zinc/10/58/16/1196105816.db2.gz XZNRTRXEIAMUHQ-UHFFFAOYSA-N 1 1 301.184 3.445 20 5 DGBDMO COC(=O)CC[N@H+](Cc1c(C)ccc([N+](=O)[O-])c1C)CC(C)C ZINC001657499436 1196148735 /nfs/dbraw/zinc/14/87/35/1196148735.db2.gz DOLCCPOWRKGPTQ-UHFFFAOYSA-N 1 1 322.405 3.233 20 5 DGBDMO CCC(CC)[N@@H+](CC)Cc1cc(C(=O)OC)ccc1[N+](=O)[O-] ZINC001658837115 1196307202 /nfs/dbraw/zinc/30/72/02/1196307202.db2.gz NRXPXMHGUCNVIS-UHFFFAOYSA-N 1 1 308.378 3.392 20 5 DGBDMO Cc1ccc([N+](=O)[O-])c(C)c1C[N@H+]1C[C@@H](C)O[C@@H](C2CC2)C1 ZINC001659061933 1196339095 /nfs/dbraw/zinc/33/90/95/1196339095.db2.gz OMRJDWWXSGGMJM-SJKOYZFVSA-N 1 1 304.390 3.211 20 5 DGBDMO Cc1ccc([N+](=O)[O-])c(C)c1C[N@@H+]1C[C@@H](C)O[C@@H](C2CC2)C1 ZINC001659061933 1196339099 /nfs/dbraw/zinc/33/90/99/1196339099.db2.gz OMRJDWWXSGGMJM-SJKOYZFVSA-N 1 1 304.390 3.211 20 5 DGBDMO Cc1ccc([N+](=O)[O-])c(C)c1C[N@H+]1C[C@H](C)O[C@@H](C2CC2)C1 ZINC001659061935 1196339667 /nfs/dbraw/zinc/33/96/67/1196339667.db2.gz OMRJDWWXSGGMJM-YVEFUNNKSA-N 1 1 304.390 3.211 20 5 DGBDMO Cc1ccc([N+](=O)[O-])c(C)c1C[N@@H+]1C[C@H](C)O[C@@H](C2CC2)C1 ZINC001659061935 1196339674 /nfs/dbraw/zinc/33/96/74/1196339674.db2.gz OMRJDWWXSGGMJM-YVEFUNNKSA-N 1 1 304.390 3.211 20 5 DGBDMO O=[N+]([O-])c1ccc(Cl)c(C[N@@H+]2CC[C@H](O)[C@@H]3CCCC[C@H]32)c1 ZINC001659889649 1196426191 /nfs/dbraw/zinc/42/61/91/1196426191.db2.gz QYGLQUDTZBWLFH-BMFZPTHFSA-N 1 1 324.808 3.374 20 5 DGBDMO O=[N+]([O-])c1cc(C[N@H+]2CCC[C@]2(CO)c2ccccc2)cs1 ZINC001660656893 1196509421 /nfs/dbraw/zinc/50/94/21/1196509421.db2.gz GKNKYXBWZGCZRX-INIZCTEOSA-N 1 1 318.398 3.140 20 5 DGBDMO O=[N+]([O-])c1cc(C[N@@H+]2CCC[C@]2(CO)c2ccccc2)cs1 ZINC001660656893 1196509424 /nfs/dbraw/zinc/50/94/24/1196509424.db2.gz GKNKYXBWZGCZRX-INIZCTEOSA-N 1 1 318.398 3.140 20 5 DGBDMO C/C=C/C[C@H]1CCC[N@H+](Cc2ccc(O)c(OC)c2[N+](=O)[O-])C1 ZINC001665377777 1197131023 /nfs/dbraw/zinc/13/10/23/1197131023.db2.gz GNFRXENRCJSWGX-OOPCZODUSA-N 1 1 320.389 3.487 20 5 DGBDMO Cc1ccc([N+](=O)[O-])c(N2CCC[C@@H](Cc3[nH+]ccn3C)C2)c1 ZINC000301705367 1199458120 /nfs/dbraw/zinc/45/81/20/1199458120.db2.gz ICVJEYSGJCWKRA-AWEZNQCLSA-N 1 1 314.389 3.096 20 5 DGBDMO O=[N+]([O-])c1ccccc1/C=C\C[N@H+]1CC[C@@H]2OCCC[C@@H]2C1 ZINC000255449029 1203844607 /nfs/dbraw/zinc/84/46/07/1203844607.db2.gz BOLWEYMMRHIGTO-CWPZSORWSA-N 1 1 302.374 3.109 20 5 DGBDMO C[NH+](C)/C=C/c1cc(N2CC3(C2)CCCCC3)ncc1[N+](=O)[O-] ZINC001167179631 1081789784 /nfs/dbraw/zinc/78/97/84/1081789784.db2.gz FVWGUYUEZJSDPG-RMKNXTFCSA-N 1 1 316.405 3.293 20 5 DGBDMO COc1ccc(C[C@H](C)[N@@H+]2CC[C@@H](OC)C[C@@H]2C)c([N+](=O)[O-])c1 ZINC001170355876 1082350385 /nfs/dbraw/zinc/35/03/85/1082350385.db2.gz RYTUIIASEWTMCG-HEHGZKQESA-N 1 1 322.405 3.034 20 5 DGBDMO COc1ccc(C[C@@H](C)[N@H+]2CCCOC(C)(C)C2)c([N+](=O)[O-])c1 ZINC001170344948 1082355488 /nfs/dbraw/zinc/35/54/88/1082355488.db2.gz FUAXASGGOCPGJJ-CYBMUJFWSA-N 1 1 322.405 3.035 20 5 DGBDMO C[C@H]1CCCC[N@H+]1CCCNc1cnc(Cl)cc1[N+](=O)[O-] ZINC001167751515 1083624621 /nfs/dbraw/zinc/62/46/21/1083624621.db2.gz JGNAPZLCBKENMQ-NSHDSACASA-N 1 1 312.801 3.320 20 5 DGBDMO C[C@@H]1CN(c2cc(C(F)(F)F)ccc2[N+](=O)[O-])C[C@H](C)[N@@H+]1C ZINC001186593832 1084677975 /nfs/dbraw/zinc/67/79/75/1084677975.db2.gz MPAGPQVHCQVFET-AOOOYVTPSA-N 1 1 317.311 3.142 20 5 DGBDMO CN(C[C@H]1CCC[N@H+]1C)c1cc(C(F)(F)F)ccc1[N+](=O)[O-] ZINC001186763869 1084699198 /nfs/dbraw/zinc/69/91/98/1084699198.db2.gz JSNJKJFDQBVOIY-LLVKDONJSA-N 1 1 317.311 3.144 20 5 DGBDMO CC[N@H+]1CC[C@@H]1CNc1ccc(C(F)(F)F)cc1[N+](=O)[O-] ZINC001187423145 1084799472 /nfs/dbraw/zinc/79/94/72/1084799472.db2.gz PGCZGKIABWFOHN-SNVBAGLBSA-N 1 1 303.284 3.120 20 5 DGBDMO CCCC[N@@H+](C)C[C@H](C)NC(=O)c1c(C)ccc([N+](=O)[O-])c1C ZINC001160478196 1088828557 /nfs/dbraw/zinc/82/85/57/1088828557.db2.gz ZESAQEAPSHNCDV-ZDUSSCGKSA-N 1 1 321.421 3.062 20 5 DGBDMO Cc1cc(NCC[C@H]2CCC[N@@H+]2C)nc2ccc([N+](=O)[O-])cc12 ZINC001160966344 1089047550 /nfs/dbraw/zinc/04/75/50/1089047550.db2.gz BXUAKJIHVHADDM-CYBMUJFWSA-N 1 1 314.389 3.348 20 5 DGBDMO C[N@H+]1CCC[C@H](CCNc2nccc3cc([N+](=O)[O-])ccc32)C1 ZINC001156386159 1089500248 /nfs/dbraw/zinc/50/02/48/1089500248.db2.gz POZZSWTWFPOVMA-CYBMUJFWSA-N 1 1 314.389 3.287 20 5 DGBDMO CC(C)(C)[NH+]1CC(Nc2nc(Cl)cc(Cl)c2[N+](=O)[O-])C1 ZINC001162221662 1089614483 /nfs/dbraw/zinc/61/44/83/1089614483.db2.gz PWBDTGOKQMAXGJ-UHFFFAOYSA-N 1 1 319.192 3.191 20 5 DGBDMO C[N@H+]1CCC[C@@](C)(Nc2ccc3ccc([N+](=O)[O-])cc3n2)C1 ZINC001162341840 1089683515 /nfs/dbraw/zinc/68/35/15/1089683515.db2.gz PFPLREWRDRQFMX-MRXNPFEDSA-N 1 1 300.362 3.039 20 5 DGBDMO C[N@H+]1CCC[C@@H]2CN(c3ccc4ccc5cccnc5c4n3)C[C@H]21 ZINC001157264559 1089894208 /nfs/dbraw/zinc/89/42/08/1089894208.db2.gz FIGKAIBYOPJEQV-IAGOWNOFSA-N 1 1 318.424 3.313 20 5 DGBDMO CC1(C)CCC[N@H+]1CCNc1ccc2ncccc2c1[N+](=O)[O-] ZINC001163480338 1090196589 /nfs/dbraw/zinc/19/65/89/1090196589.db2.gz GHZPXJONKULPEE-UHFFFAOYSA-N 1 1 314.389 3.429 20 5 DGBDMO COc1cc(NCC[C@H]2CCC[N@@H+](C)C2)cc([N+](=O)[O-])c1C ZINC001165290324 1090497850 /nfs/dbraw/zinc/49/78/50/1090497850.db2.gz SJOBBAPUVFOECM-CYBMUJFWSA-N 1 1 307.394 3.056 20 5 DGBDMO C[N@@H+](Cc1nc2ccccc2s1)[C@@H]1CC[C@H](C[N+](=O)[O-])C1 ZINC001169013395 1092487952 /nfs/dbraw/zinc/48/79/52/1092487952.db2.gz UUQGPIGGWINDJG-NWDGAFQWSA-N 1 1 305.403 3.174 20 5 DGBDMO COc1ccccc1[C@@H]1CCC[N@H+]1[C@@H]1CC[C@H](C[N+](=O)[O-])C1 ZINC001169038327 1092500787 /nfs/dbraw/zinc/50/07/87/1092500787.db2.gz YCZXWGJLALXMHQ-LZWOXQAQSA-N 1 1 304.390 3.278 20 5 DGBDMO CC(C)[N@@H+](CC(=O)c1ccccc1)[C@H]1CC[C@H](C[N+](=O)[O-])C1 ZINC001169039297 1092501140 /nfs/dbraw/zinc/50/11/40/1092501140.db2.gz PKRHNCWSPRRSNA-HOCLYGCPSA-N 1 1 304.390 3.025 20 5 DGBDMO COc1ccc([N+](=O)[O-])cc1Nc1c(C)[nH+]c2ccc(F)cn21 ZINC001210444161 1093167625 /nfs/dbraw/zinc/16/76/25/1093167625.db2.gz GBGJCNVMYOGEAJ-UHFFFAOYSA-N 1 1 316.292 3.442 20 5 DGBDMO O=[N+]([O-])c1cc(F)cc(Nc2cc[nH+]cc2C(F)(F)F)c1 ZINC001216480838 1094205854 /nfs/dbraw/zinc/20/58/54/1094205854.db2.gz MTQKEHNFARMABW-UHFFFAOYSA-N 1 1 301.199 3.313 20 5 DGBDMO O=C1C[NH2+]CC[C@H](Oc2nccc3c4ccccc4ccc32)C1 ZINC001218196413 1094652985 /nfs/dbraw/zinc/65/29/85/1094652985.db2.gz YHJVQZJZUNBQHW-HNNXBMFYSA-N 1 1 306.365 3.088 20 5 DGBDMO FC1(F)C[NH2+]C[C@@H]1Oc1cccc2ccc3cccnc3c21 ZINC001218232679 1094668328 /nfs/dbraw/zinc/66/83/28/1094668328.db2.gz FLADCVXMWPMETO-AWEZNQCLSA-N 1 1 300.308 3.374 20 5 DGBDMO COc1nccc(C[NH2+]C(C)(C)c2ccc([N+](=O)[O-])cc2)c1F ZINC001336751027 1094722291 /nfs/dbraw/zinc/72/22/91/1094722291.db2.gz NXEICSRMMBNQNY-UHFFFAOYSA-N 1 1 319.336 3.162 20 5 DGBDMO O=[N+]([O-])c1ccc2oc(=S)n(C[N@@H+]3CC[C@@H](CF)C3)c2c1 ZINC001337169193 1094884101 /nfs/dbraw/zinc/88/41/01/1094884101.db2.gz KFNYJSZMEJJJDO-VIFPVBQESA-N 1 1 311.338 3.121 20 5 DGBDMO O=[N+]([O-])c1ccc2oc(=S)n(C[N@H+]3CC[C@@H](CF)C3)c2c1 ZINC001337169193 1094884119 /nfs/dbraw/zinc/88/41/19/1094884119.db2.gz KFNYJSZMEJJJDO-VIFPVBQESA-N 1 1 311.338 3.121 20 5 DGBDMO C[C@@H]1C[C@H](Nc2ncc([N+](=O)[O-])c3ccccc32)CC[N@H+]1C ZINC001337340971 1094939602 /nfs/dbraw/zinc/93/96/02/1094939602.db2.gz ZGRWICNJBKQSLG-VXGBXAGGSA-N 1 1 300.362 3.038 20 5 DGBDMO O=[N+]([O-])c1cccc(OCC[N@H+]2CC[C@H]3CCCC[C@H]3C2)c1 ZINC001337406379 1094964547 /nfs/dbraw/zinc/96/45/47/1094964547.db2.gz BXMAUPJFQKIZSX-CABCVRRESA-N 1 1 304.390 3.486 20 5 DGBDMO C/C(=C\c1cccc([N+](=O)[O-])c1)C[N@H+]1CC[C@@H]2OCCC[C@@H]2C1 ZINC001116743380 1095646314 /nfs/dbraw/zinc/64/63/14/1095646314.db2.gz KCEJRYKDLCAHQW-NQKFPNJCSA-N 1 1 316.401 3.499 20 5 DGBDMO C[C@H](O[C@H]1[C@@H]2CCC[C@H]1C[N@H+](C)C2)c1cccc([N+](=O)[O-])c1 ZINC001223427110 1095966584 /nfs/dbraw/zinc/96/65/84/1095966584.db2.gz GVIOVDCWGLRWSY-MKVSYHDVSA-N 1 1 304.390 3.403 20 5 DGBDMO C[C@H](O[C@H]1[C@@H]2CCC[C@H]1C[N@H+](C)C2)c1ccc([N+](=O)[O-])cc1 ZINC001224023817 1096117707 /nfs/dbraw/zinc/11/77/07/1096117707.db2.gz ZXRQRZHZKWCONP-MKVSYHDVSA-N 1 1 304.390 3.403 20 5 DGBDMO CC(C)[N@H+]1CCC[C@@H](Oc2cc(F)c(F)cc2[N+](=O)[O-])C1 ZINC001225778003 1096528394 /nfs/dbraw/zinc/52/83/94/1096528394.db2.gz FVBWBDGTCJHDPN-SNVBAGLBSA-N 1 1 300.305 3.125 20 5 DGBDMO CC[N@H+]1CCC[C@@H](Oc2ccc(C(F)(F)F)cc2[N+](=O)[O-])C1 ZINC001225954361 1096572762 /nfs/dbraw/zinc/57/27/62/1096572762.db2.gz VMICRKFEJKRWTL-LLVKDONJSA-N 1 1 318.295 3.477 20 5 DGBDMO C[N@@H+]1[C@@H]2CC[C@H]1C[C@@H](Oc1cc([N+](=O)[O-])c(F)cc1Cl)C2 ZINC001226195443 1096634793 /nfs/dbraw/zinc/63/47/93/1096634793.db2.gz IFKLQRNJAYPINW-MYJAWHEDSA-N 1 1 314.744 3.391 20 5 DGBDMO C[N@H+]1CCC[C@@H](Oc2cc(C(F)(F)F)ccc2[N+](=O)[O-])C1 ZINC001226301652 1096656258 /nfs/dbraw/zinc/65/62/58/1096656258.db2.gz NIWSTUPJXZXDGV-SNVBAGLBSA-N 1 1 304.268 3.087 20 5 DGBDMO Cc1cc[nH+]c(N2CCC(Oc3cccc([N+](=O)[O-])c3)CC2)c1 ZINC001226763026 1096771018 /nfs/dbraw/zinc/77/10/18/1096771018.db2.gz HAIRFGQAJLHFJC-UHFFFAOYSA-N 1 1 313.357 3.346 20 5 DGBDMO CC(C)[N@H+]1CC[C@@H](Oc2ccc(C(F)(F)F)c([N+](=O)[O-])c2)C1 ZINC001226965420 1096830694 /nfs/dbraw/zinc/83/06/94/1096830694.db2.gz YUSVFIGCTPDRBZ-LLVKDONJSA-N 1 1 318.295 3.475 20 5 DGBDMO c1cn2c([nH+]1)CC[C@H](Oc1ccc3nc4ccccc4nc3c1)C2 ZINC001228740307 1097180791 /nfs/dbraw/zinc/18/07/91/1097180791.db2.gz JJCPDIQYDFGRIX-AWEZNQCLSA-N 1 1 316.364 3.373 20 5 DGBDMO CO[C@@H]1CC[N@H+]([C@H]2CCc3ccc([N+](=O)[O-])cc3CC2)[C@H](C)C1 ZINC001172913647 1097278245 /nfs/dbraw/zinc/27/82/45/1097278245.db2.gz SXPUSUFEESMAJZ-RPVQJOFSSA-N 1 1 318.417 3.342 20 5 DGBDMO C[N@@H+](C[C@@H]1CCCCO1)[C@H]1CCc2ccc([N+](=O)[O-])cc2CC1 ZINC001172914144 1097278995 /nfs/dbraw/zinc/27/89/95/1097278995.db2.gz CZGYDBZMOKUIHY-WMZOPIPTSA-N 1 1 318.417 3.343 20 5 DGBDMO C[C@@H](Cc1ccc([N+](=O)[O-])cc1)n1cc(CC[NH3+])c2cnccc21 ZINC001173221973 1097373204 /nfs/dbraw/zinc/37/32/04/1097373204.db2.gz RNNSYCIHAGNZQW-ZDUSSCGKSA-N 1 1 324.384 3.249 20 5 DGBDMO C[C@H](Cc1ccc([N+](=O)[O-])cc1)[N@@H+]1CC[C@@H](N2CCCCC2)C1 ZINC001173225496 1097374693 /nfs/dbraw/zinc/37/46/93/1097374693.db2.gz COKBSJVSRUOFRF-CRAIPNDOSA-N 1 1 317.433 3.086 20 5 DGBDMO C[C@H](Cc1ccc([N+](=O)[O-])cc1)[N@H+]1CC[C@@H](N2CCCCC2)C1 ZINC001173225496 1097374696 /nfs/dbraw/zinc/37/46/96/1097374696.db2.gz COKBSJVSRUOFRF-CRAIPNDOSA-N 1 1 317.433 3.086 20 5 DGBDMO COC(C)(C)[C@@H]1CCC[N@H+]1[C@H](C)Cc1ccc([N+](=O)[O-])cc1 ZINC001173227034 1097375085 /nfs/dbraw/zinc/37/50/85/1097375085.db2.gz MFQKQXYWWIJXOI-CJNGLKHVSA-N 1 1 306.406 3.415 20 5 DGBDMO C[C@H](Cc1ccc([N+](=O)[O-])cc1)[N@H+]1CC[C@H](C(F)(F)F)C1 ZINC001173225761 1097375396 /nfs/dbraw/zinc/37/53/96/1097375396.db2.gz GAEUSAFSGVSQIV-PWSUYJOCSA-N 1 1 302.296 3.410 20 5 DGBDMO C[C@@H](Cc1ccc([N+](=O)[O-])cc1)[N@H+]1CCC2(C1)CCOCC2 ZINC001173228357 1097375795 /nfs/dbraw/zinc/37/57/95/1097375795.db2.gz VIEBGCJFFKKNTM-AWEZNQCLSA-N 1 1 304.390 3.028 20 5 DGBDMO C[C@@H](Cc1ccc([N+](=O)[O-])cc1)[N@H+]1CCC[C@@H]1c1cnccn1 ZINC001173227869 1097376144 /nfs/dbraw/zinc/37/61/44/1097376144.db2.gz SEYZHOMCCWVYMY-SUMWQHHRSA-N 1 1 312.373 3.153 20 5 DGBDMO CCN(CC)CC[N@H+](CC)[C@@H](C)Cc1ccc([N+](=O)[O-])cc1 ZINC001173227540 1097376364 /nfs/dbraw/zinc/37/63/64/1097376364.db2.gz QKSUBEGAFDYMBB-HNNXBMFYSA-N 1 1 307.438 3.190 20 5 DGBDMO CCN(CC)CC[N@@H+](CC)[C@@H](C)Cc1ccc([N+](=O)[O-])cc1 ZINC001173227540 1097376371 /nfs/dbraw/zinc/37/63/71/1097376371.db2.gz QKSUBEGAFDYMBB-HNNXBMFYSA-N 1 1 307.438 3.190 20 5 DGBDMO Cc1noc([C@@H]2CCC[N@@H+]2[C@H](C)Cc2ccc([N+](=O)[O-])cc2)n1 ZINC001173233190 1097377834 /nfs/dbraw/zinc/37/78/34/1097377834.db2.gz JMNNKPLATJJXIV-ABAIWWIYSA-N 1 1 316.361 3.054 20 5 DGBDMO CC[N@H+]1CCC[C@@H](Oc2cc([N+](=O)[O-])cc(C(F)(F)F)c2)C1 ZINC001229831055 1097394759 /nfs/dbraw/zinc/39/47/59/1097394759.db2.gz KSWXXQOLUTVPGT-GFCCVEGCSA-N 1 1 318.295 3.477 20 5 DGBDMO Cc1ccc(C)c([N+](=O)[O-])c1O[C@H]1[C@@H]2CCC[C@H]1C[N@H+](C)C2 ZINC001231055239 1097657018 /nfs/dbraw/zinc/65/70/18/1097657018.db2.gz AKPUIDHMZPETMY-HALDLXJZSA-N 1 1 304.390 3.321 20 5 DGBDMO Cc1ccc([N+](=O)[O-])cc1[C@H](C)N1C[C@]2(C)C[N@@H+](C)C[C@]2(C)C1 ZINC001175070291 1097937421 /nfs/dbraw/zinc/93/74/21/1097937421.db2.gz PYOIDWKHIRSQJZ-JCGIZDLHSA-N 1 1 317.433 3.238 20 5 DGBDMO c1cnc2c(c1)ccc1ccc(C[N@H+]3CC[C@H]4OCC[C@H]4C3)nc12 ZINC001232225039 1097973719 /nfs/dbraw/zinc/97/37/19/1097973719.db2.gz MDZFWXPVXRREIG-FUHWJXTLSA-N 1 1 319.408 3.394 20 5 DGBDMO CC(=O)c1cc(O[C@@H]2CCC[N@H+](C(C)C)C2)ccc1[N+](=O)[O-] ZINC001233502405 1098354706 /nfs/dbraw/zinc/35/47/06/1098354706.db2.gz PJOSFWQFVXOVOZ-CQSZACIVSA-N 1 1 306.362 3.049 20 5 DGBDMO CC(C)[N@H+]1CCC[C@H](Oc2c3cccnc3ccc2[N+](=O)[O-])C1 ZINC001233787516 1098431383 /nfs/dbraw/zinc/43/13/83/1098431383.db2.gz YKDWPACTDJKTJK-ZDUSSCGKSA-N 1 1 315.373 3.395 20 5 DGBDMO Cc1cc(F)c(O[C@H]2[C@@H]3CCC[C@H]2C[N@H+](C)C3)cc1[N+](=O)[O-] ZINC001234059987 1098487272 /nfs/dbraw/zinc/48/72/72/1098487272.db2.gz MVBRCGGSVMUTPH-ATCWAGBWSA-N 1 1 308.353 3.151 20 5 DGBDMO CC[N@H+]1CCC[C@H](Oc2nccc3c2cccc3[N+](=O)[O-])C1 ZINC001234675970 1098642921 /nfs/dbraw/zinc/64/29/21/1098642921.db2.gz GWQDCMWTZCAUOY-LBPRGKRZSA-N 1 1 301.346 3.006 20 5 DGBDMO CC[C@@H](N[C@H]1CC[N@@H+]2CCC[C@H]2C1)c1cccc([N+](=O)[O-])c1 ZINC001178204624 1098745792 /nfs/dbraw/zinc/74/57/92/1098745792.db2.gz KUWSZCGKNSCPLJ-YQQAZPJKSA-N 1 1 303.406 3.262 20 5 DGBDMO CC[C@@H](N[C@H]1CC[N@H+]2CCC[C@H]2C1)c1cccc([N+](=O)[O-])c1 ZINC001178204624 1098745802 /nfs/dbraw/zinc/74/58/02/1098745802.db2.gz KUWSZCGKNSCPLJ-YQQAZPJKSA-N 1 1 303.406 3.262 20 5 DGBDMO COc1ccc([N+](=O)[O-])cc1C[NH2+]Cc1cc(F)ccc1C ZINC001178294945 1098778092 /nfs/dbraw/zinc/77/80/92/1098778092.db2.gz HAZORSXQHFSZOG-UHFFFAOYSA-N 1 1 304.321 3.341 20 5 DGBDMO CCC[N@@H+](CC(C)C)[C@H](C)C(=O)Nc1cccc([N+](=O)[O-])c1 ZINC001190643132 1100313271 /nfs/dbraw/zinc/31/32/71/1100313271.db2.gz JHZKYHCBZDDPLL-CYBMUJFWSA-N 1 1 307.394 3.290 20 5 DGBDMO CC[C@H]1CC[N@@H+](CCC(=O)Nc2cc([N+](=O)[O-])ccc2C)[C@H]1C ZINC001193607020 1100782670 /nfs/dbraw/zinc/78/26/70/1100782670.db2.gz RWUGGEZWVYBNHT-KBPBESRZSA-N 1 1 319.405 3.352 20 5 DGBDMO Cc1cccc([C@@H](O)C[N@@H+](C)CCc2cccc([N+](=O)[O-])c2)c1 ZINC001193743252 1100796472 /nfs/dbraw/zinc/79/64/72/1100796472.db2.gz LGOPSAMGDYLIEI-SFHVURJKSA-N 1 1 314.385 3.111 20 5 DGBDMO COc1cc([N+](=O)[O-])ccc1C[N@H+]1CCSC[C@@H]1C1CCC1 ZINC001195316305 1101121276 /nfs/dbraw/zinc/12/12/76/1101121276.db2.gz ZPRHLJRTVXSYCJ-OAHLLOKOSA-N 1 1 322.430 3.321 20 5 DGBDMO COc1ccc(OCC[N@H+]2CCCC3(CC3)CC2)c([N+](=O)[O-])c1 ZINC001196606742 1101345682 /nfs/dbraw/zinc/34/56/82/1101345682.db2.gz WNCNJMJNIIZKLL-UHFFFAOYSA-N 1 1 320.389 3.248 20 5 DGBDMO C[NH2+][C@@H](C)CCNCc1ccc(-c2ccc([N+](=O)[O-])cc2)s1 ZINC001325627235 1103085547 /nfs/dbraw/zinc/08/55/47/1103085547.db2.gz URGKJUIEKHSKNM-LBPRGKRZSA-N 1 1 319.430 3.411 20 5 DGBDMO CC(C)C[N@@H+](C)Cc1ccc([N+](=O)[O-])cc1Br ZINC001325786949 1103124055 /nfs/dbraw/zinc/12/40/55/1103124055.db2.gz ZAFPICKYDMRIPE-UHFFFAOYSA-N 1 1 301.184 3.445 20 5 DGBDMO O=[N+]([O-])c1ccc([C@H]2CCC[N@H+](CC3CCC(O)CC3)C2)cc1 ZINC001327561368 1103681922 /nfs/dbraw/zinc/68/19/22/1103681922.db2.gz DELNJIHEAUSOBL-HQVVEAJESA-N 1 1 318.417 3.325 20 5 DGBDMO CC[N@H+]1CCC[C@@H](CNc2ccnc3cc([N+](=O)[O-])ccc32)C1 ZINC001327615663 1103693300 /nfs/dbraw/zinc/69/33/00/1103693300.db2.gz HHGOPBQYORIZDC-ZDUSSCGKSA-N 1 1 314.389 3.287 20 5 DGBDMO CC[C@@H]1CC[N@H+](C2CCN(c3ccc([N+](=O)[O-])cc3)CC2)C1 ZINC001254483679 1106079008 /nfs/dbraw/zinc/07/90/08/1106079008.db2.gz WENSMARFARZFNQ-CQSZACIVSA-N 1 1 303.406 3.296 20 5 DGBDMO C[C@@H](Cc1ccccc1[N+](=O)[O-])[N@H+]1CC[C@]2(C1)CCCCO2 ZINC001254552265 1106102431 /nfs/dbraw/zinc/10/24/31/1106102431.db2.gz JRGAMSSDCBZPPK-YOEHRIQHSA-N 1 1 304.390 3.171 20 5 DGBDMO C[C@H](Cc1ccccc1[N+](=O)[O-])[N@H+]1CCC[C@@](C)(O)[C@@H](C)C1 ZINC001254552807 1106102630 /nfs/dbraw/zinc/10/26/30/1106102630.db2.gz PMLYCTPIEFEGQG-JJRVBVJISA-N 1 1 306.406 3.009 20 5 DGBDMO CC[N@H+](CCN1CCCCC1)[C@H](C)Cc1ccccc1[N+](=O)[O-] ZINC001254559575 1106103380 /nfs/dbraw/zinc/10/33/80/1106103380.db2.gz LAQFGAMGRRYWCP-MRXNPFEDSA-N 1 1 319.449 3.334 20 5 DGBDMO CC[N@@H+](CCN1CCCCC1)[C@H](C)Cc1ccccc1[N+](=O)[O-] ZINC001254559575 1106103384 /nfs/dbraw/zinc/10/33/84/1106103384.db2.gz LAQFGAMGRRYWCP-MRXNPFEDSA-N 1 1 319.449 3.334 20 5 DGBDMO C[C@@H](Cc1ccccc1[N+](=O)[O-])[N@@H+](CCO)Cc1cccs1 ZINC001254562349 1106103901 /nfs/dbraw/zinc/10/39/01/1106103901.db2.gz KTPMVASSIUXKRK-ZDUSSCGKSA-N 1 1 320.414 3.082 20 5 DGBDMO COC(C)(C)[C@@H]1CCC[N@H+]1[C@H](C)Cc1ccccc1[N+](=O)[O-] ZINC001254560867 1106104268 /nfs/dbraw/zinc/10/42/68/1106104268.db2.gz YQTKUDAHIBJACS-CJNGLKHVSA-N 1 1 306.406 3.415 20 5 DGBDMO C[C@H](Cc1ccccc1[N+](=O)[O-])N1CC[N@@H+](C)CC12CCCC2 ZINC001254567404 1106104887 /nfs/dbraw/zinc/10/48/87/1106104887.db2.gz CVEHIESPONNMLV-OAHLLOKOSA-N 1 1 317.433 3.086 20 5 DGBDMO C[C@H](Cc1ccccc1[N+](=O)[O-])[N@@H+]1CCN(C)CC12CCCC2 ZINC001254567404 1106104889 /nfs/dbraw/zinc/10/48/89/1106104889.db2.gz CVEHIESPONNMLV-OAHLLOKOSA-N 1 1 317.433 3.086 20 5 DGBDMO C[C@H](Cc1ccccc1[N+](=O)[O-])[N@H+]1CCN(C)CC12CCCC2 ZINC001254567404 1106104894 /nfs/dbraw/zinc/10/48/94/1106104894.db2.gz CVEHIESPONNMLV-OAHLLOKOSA-N 1 1 317.433 3.086 20 5 DGBDMO O=[N+]([O-])c1ccc2c(c1)C[C@H]([N@@H+]1CCO[C@@H](c3ccccc3)C1)C2 ZINC001254600505 1106110831 /nfs/dbraw/zinc/11/08/31/1106110831.db2.gz QEYDPQCCPXGARO-RTBURBONSA-N 1 1 324.380 3.136 20 5 DGBDMO O=[N+]([O-])c1ccc2c(c1)C[C@H]([N@H+]1CCO[C@@H](c3ccccc3)C1)C2 ZINC001254600505 1106110832 /nfs/dbraw/zinc/11/08/32/1106110832.db2.gz QEYDPQCCPXGARO-RTBURBONSA-N 1 1 324.380 3.136 20 5 DGBDMO Cc1ccc2c(c1)C[N@@H+]([C@H]1Cc3ccc([N+](=O)[O-])cc3C1)CC2 ZINC001254600625 1106110920 /nfs/dbraw/zinc/11/09/20/1106110920.db2.gz TWPMMQYBFAKANO-IBGZPJMESA-N 1 1 308.381 3.429 20 5 DGBDMO C[C@H]1CC[N@H+]([C@@H]2Cc3ccc([N+](=O)[O-])cc3C2)CCC1(F)F ZINC001254596714 1106110942 /nfs/dbraw/zinc/11/09/42/1106110942.db2.gz FLTRJKCXOOHOSM-XHDPSFHLSA-N 1 1 310.344 3.429 20 5 DGBDMO O=[N+]([O-])c1ccc2c(c1)C[C@@H]([N@H+]1CCc3c(F)cccc3C1)C2 ZINC001254609824 1106112605 /nfs/dbraw/zinc/11/26/05/1106112605.db2.gz YXUXTEBJGCCBPV-INIZCTEOSA-N 1 1 312.344 3.259 20 5 DGBDMO C/C(=C\c1cccc([N+](=O)[O-])c1)C[N@@H+]1C[C@H]2CCC[C@@H](C1)C2O ZINC001320643618 1107084227 /nfs/dbraw/zinc/08/42/27/1107084227.db2.gz QBLZSKZXARSSNM-IYOKYPSDSA-N 1 1 316.401 3.091 20 5 DGBDMO C[N@H+](Cc1cc(F)cc(F)c1)C[C@H](O)c1ccc([N+](=O)[O-])cc1 ZINC001320814110 1107147800 /nfs/dbraw/zinc/14/78/00/1107147800.db2.gz MFDYFVZUMVNSIW-INIZCTEOSA-N 1 1 322.311 3.038 20 5 DGBDMO O=[N+]([O-])c1ccccc1OCC[N@H+]1CC[C@@H]2CCCC[C@H]2C1 ZINC001321751964 1107425821 /nfs/dbraw/zinc/42/58/21/1107425821.db2.gz MWMYPYYJPREAGH-GJZGRUSLSA-N 1 1 304.390 3.486 20 5 DGBDMO Cc1c([C@H](C)N[C@@H]2CCCC[C@@H]2[NH+](C)C)cccc1[N+](=O)[O-] ZINC001319392917 1108444339 /nfs/dbraw/zinc/44/43/39/1108444339.db2.gz GPMYPXMGGPQYIQ-LXZKKBNFSA-N 1 1 305.422 3.427 20 5 DGBDMO CC(C)c1ccc(CN2CCC[N@H+]3CCC[C@@H]3C2)cc1[N+](=O)[O-] ZINC001319947739 1108708788 /nfs/dbraw/zinc/70/87/88/1108708788.db2.gz LLGCWUOZLSGWHP-MRXNPFEDSA-N 1 1 317.433 3.388 20 5 DGBDMO CCC[NH+]1CCN(c2c(Cl)c(Cl)ccc2[N+](=O)[O-])CC1 ZINC001306913211 1111249341 /nfs/dbraw/zinc/24/93/41/1111249341.db2.gz CKTMUFZBMJIZQV-UHFFFAOYSA-N 1 1 318.204 3.434 20 5 DGBDMO CC[C@@H]1CC[N@@H+]([C@H](C)C(=O)Nc2ccccc2[N+](=O)[O-])[C@H]1C ZINC001307703584 1111330141 /nfs/dbraw/zinc/33/01/41/1111330141.db2.gz VUTNWVXNXLGLBQ-YNEHKIRRSA-N 1 1 305.378 3.042 20 5 DGBDMO CC[N@@H+](CCC(=O)Nc1ccc([N+](=O)[O-])cc1)C1CC(C)(C)C1 ZINC001307836123 1111344409 /nfs/dbraw/zinc/34/44/09/1111344409.db2.gz HRKNCWJGFIQOFZ-UHFFFAOYSA-N 1 1 319.405 3.434 20 5 DGBDMO CCC[C@H]1CCC[N@H+]1CC(=O)Nc1cc([N+](=O)[O-])ccc1C ZINC001308134907 1111382315 /nfs/dbraw/zinc/38/23/15/1111382315.db2.gz QJMIFGMOPBLUCD-ZDUSSCGKSA-N 1 1 305.378 3.106 20 5 DGBDMO Cc1ccc(CNC[C@@H](C)[N@@H+]2CCCC[C@@H]2C)cc1[N+](=O)[O-] ZINC001308201921 1111396686 /nfs/dbraw/zinc/39/66/86/1111396686.db2.gz XEOMIROWSHDPDV-LSDHHAIUSA-N 1 1 305.422 3.256 20 5 DGBDMO Cc1ccc(CNC[C@@H](C)[N@H+]2CCCC[C@@H]2C)cc1[N+](=O)[O-] ZINC001308201921 1111396688 /nfs/dbraw/zinc/39/66/88/1111396688.db2.gz XEOMIROWSHDPDV-LSDHHAIUSA-N 1 1 305.422 3.256 20 5 DGBDMO COc1c(O)ccc(C[N@@H+](C)[C@H]2CCCC[C@H]2C)c1[N+](=O)[O-] ZINC001308754287 1111471136 /nfs/dbraw/zinc/47/11/36/1111471136.db2.gz JBRHDHRTKULZIC-YPMHNXCESA-N 1 1 308.378 3.320 20 5 DGBDMO COc1c(O)ccc(C[N@@H+](C)[C@@H]2CCCC[C@H]2C)c1[N+](=O)[O-] ZINC001308754284 1111471209 /nfs/dbraw/zinc/47/12/09/1111471209.db2.gz JBRHDHRTKULZIC-DGCLKSJQSA-N 1 1 308.378 3.320 20 5 DGBDMO CC[C@@]1(O)CCC[N@@H+](C/C(C)=C/c2cccc([N+](=O)[O-])c2)C1 ZINC001308898553 1111490499 /nfs/dbraw/zinc/49/04/99/1111490499.db2.gz VWUPQDDULDGCER-IDKBZEPQSA-N 1 1 304.390 3.235 20 5 DGBDMO CC[C@@]1(O)CCC[N@@H+](C/C(C)=C\c2cccc([N+](=O)[O-])c2)C1 ZINC001308898554 1111490518 /nfs/dbraw/zinc/49/05/18/1111490518.db2.gz VWUPQDDULDGCER-OOXMNIKJSA-N 1 1 304.390 3.235 20 5 DGBDMO O=[N+]([O-])c1cc(C[N@@H+]2CC[C@@H](Nc3ccccc3)C2)cs1 ZINC000076757708 185038842 /nfs/dbraw/zinc/03/88/42/185038842.db2.gz HPKZLKJKEGJXPU-CQSZACIVSA-N 1 1 303.387 3.343 20 5 DGBDMO O=[N+]([O-])c1cc(C[N@H+]2CC[C@@H](Nc3ccccc3)C2)cs1 ZINC000076757708 185038843 /nfs/dbraw/zinc/03/88/43/185038843.db2.gz HPKZLKJKEGJXPU-CQSZACIVSA-N 1 1 303.387 3.343 20 5 DGBDMO Cc1ncc(C[NH2+][C@@H]2CC(C)(C)c3ccc([N+](=O)[O-])cc32)o1 ZINC000414195558 282155049 /nfs/dbraw/zinc/15/50/49/282155049.db2.gz XISCTARKOOZVAA-OAHLLOKOSA-N 1 1 301.346 3.403 20 5 DGBDMO O=[N+]([O-])c1cccc2c(N[C@@H]3CC[N@H+]4CCC[C@@H]4C3)ccnc21 ZINC000322148666 231208759 /nfs/dbraw/zinc/20/87/59/231208759.db2.gz KUGBRCBTTLGTRT-CHWSQXEVSA-N 1 1 312.373 3.182 20 5 DGBDMO O=[N+]([O-])c1ccc(N[C@H]2CC[N@H+]3CCC[C@H]3C2)c2cccnc21 ZINC000322585933 231212453 /nfs/dbraw/zinc/21/24/53/231212453.db2.gz ITQOFOYGHXCUDL-STQMWFEESA-N 1 1 312.373 3.182 20 5 DGBDMO CC[C@@H](CSC)[N@@H+](C)Cc1nc2cc([N+](=O)[O-])ccc2[nH]1 ZINC000444690834 529527988 /nfs/dbraw/zinc/52/79/88/529527988.db2.gz VYWQTRNOAUOLPJ-JTQLQIEISA-N 1 1 308.407 3.045 20 5 DGBDMO Cc1cc(C[C@@H](C)[NH2+][C@@H](C)c2cccc([N+](=O)[O-])c2C)n[nH]1 ZINC000090529647 185300833 /nfs/dbraw/zinc/30/08/33/185300833.db2.gz PNSAYXWCRWNKRU-MFKMUULPSA-N 1 1 302.378 3.217 20 5 DGBDMO COc1ccc([N+](=O)[O-])cc1C[NH2+][C@H](C)c1cccc(O)c1 ZINC000181484259 199305048 /nfs/dbraw/zinc/30/50/48/199305048.db2.gz MCKUJZWOTPSIDS-LLVKDONJSA-N 1 1 302.330 3.160 20 5 DGBDMO COC[C@@H]([NH2+]Cc1cc([N+](=O)[O-])ccc1OC)c1ccccc1 ZINC000181644674 199331982 /nfs/dbraw/zinc/33/19/82/199331982.db2.gz NQPSNWKXSKDUNQ-MRXNPFEDSA-N 1 1 316.357 3.081 20 5 DGBDMO C[N@@H+](CCc1ccccc1[N+](=O)[O-])Cc1cc(O)cc(F)c1 ZINC000348674959 529935365 /nfs/dbraw/zinc/93/53/65/529935365.db2.gz PAGGAQJRCFROJV-UHFFFAOYSA-N 1 1 304.321 3.114 20 5 DGBDMO C[N@H+](Cc1cc([N+](=O)[O-])ccc1C(F)(F)F)C[C@@H]1CCOC1 ZINC000292821808 529980131 /nfs/dbraw/zinc/98/01/31/529980131.db2.gz OAQDNVHIVTYLLN-JTQLQIEISA-N 1 1 318.295 3.082 20 5 DGBDMO C[N@H+](Cc1cc([N+](=O)[O-])ccc1C(F)(F)F)C[C@H]1CCOC1 ZINC000292821815 529980175 /nfs/dbraw/zinc/98/01/75/529980175.db2.gz OAQDNVHIVTYLLN-SNVBAGLBSA-N 1 1 318.295 3.082 20 5 DGBDMO O=[N+]([O-])c1ccccc1/C=C/C[N@@H+](C[C@@H]1CCOC1)C1CC1 ZINC000129920993 432010946 /nfs/dbraw/zinc/01/09/46/432010946.db2.gz OEZMTDWKMVNHDH-KQIUPUNMSA-N 1 1 302.374 3.109 20 5 DGBDMO O=[N+]([O-])c1cc(Cl)ccc1C[NH+]1CCC(CCCO)CC1 ZINC000330816117 232089273 /nfs/dbraw/zinc/08/92/73/232089273.db2.gz QYQJUQLOJAGQMB-UHFFFAOYSA-N 1 1 312.797 3.233 20 5 DGBDMO CC[C@@H](c1ccncc1)[N@@H+](C)CCOc1cccc([N+](=O)[O-])c1 ZINC000130120905 432016500 /nfs/dbraw/zinc/01/65/00/432016500.db2.gz YORMHVFCOJUZLN-KRWDZBQOSA-N 1 1 315.373 3.452 20 5 DGBDMO CCOc1cc(C[N@H+]2CCCC[C@@H]2C[C@H](C)O)ccc1[N+](=O)[O-] ZINC000279959751 215272252 /nfs/dbraw/zinc/27/22/52/215272252.db2.gz YHRYVGDFHCBNJF-DZGCQCFKSA-N 1 1 322.405 3.119 20 5 DGBDMO Cc1n[nH]c(C)c1[C@@H]1CCC[N@H+]1Cc1cccc([N+](=O)[O-])c1 ZINC000130557912 432027776 /nfs/dbraw/zinc/02/77/76/432027776.db2.gz JJJIXXOLZZXXRR-HNNXBMFYSA-N 1 1 300.362 3.272 20 5 DGBDMO C[N@H+](Cc1ccccc1[N+](=O)[O-])C[C@H](O)c1cccc(Cl)c1 ZINC000174724920 198376237 /nfs/dbraw/zinc/37/62/37/198376237.db2.gz PTNQJBTXRZMWJZ-INIZCTEOSA-N 1 1 320.776 3.414 20 5 DGBDMO COc1cc(C[N@@H+](CC(C)C)C(C)C)c([N+](=O)[O-])cc1OC ZINC000179703036 432068137 /nfs/dbraw/zinc/06/81/37/432068137.db2.gz YKSSCPUWTVABBA-UHFFFAOYSA-N 1 1 310.394 3.478 20 5 DGBDMO C[C@@H]1C[N@@H+](Cc2ccc(-c3cccc([N+](=O)[O-])c3)o2)CCCO1 ZINC000179398562 199028242 /nfs/dbraw/zinc/02/82/42/199028242.db2.gz PKYTXIOWPRDTFN-CYBMUJFWSA-N 1 1 316.357 3.466 20 5 DGBDMO C[C@H](NCC1C[NH2+]C1)c1ccc(-c2ccccc2[N+](=O)[O-])s1 ZINC000423305295 237840326 /nfs/dbraw/zinc/84/03/26/237840326.db2.gz QLDYFIRKUVHKBF-NSHDSACASA-N 1 1 317.414 3.193 20 5 DGBDMO COc1cc([N+](=O)[O-])ccc1C[N@H+]1CCC[C@@H](CSC)C1 ZINC000429291650 238046638 /nfs/dbraw/zinc/04/66/38/238046638.db2.gz HFBUYXVFNKQTBV-GFCCVEGCSA-N 1 1 310.419 3.178 20 5 DGBDMO Cc1cc([N+](=O)[O-])ccc1CN1CC[N@H+]([C@@H]2C[C@H]2C)C[C@H](C)C1 ZINC000430129899 238068045 /nfs/dbraw/zinc/06/80/45/238068045.db2.gz VOUSUUWIWZZOMQ-DDUZABMNSA-N 1 1 317.433 3.065 20 5 DGBDMO COCC[N@@H+](Cc1ccc([N+](=O)[O-])cc1OC)[C@H]1CC[C@@H](C)C1 ZINC000430244333 238072687 /nfs/dbraw/zinc/07/26/87/238072687.db2.gz PBKKYTHMEFOIKK-HIFRSBDPSA-N 1 1 322.405 3.240 20 5 DGBDMO C[C@H]1C[C@H](Nc2ccnc3c2cccc3[N+](=O)[O-])C[N@H+]1C1CC1 ZINC000432320656 238125238 /nfs/dbraw/zinc/12/52/38/238125238.db2.gz ALSIVSJIPFKHST-RYUDHWBXSA-N 1 1 312.373 3.180 20 5 DGBDMO O=[N+]([O-])c1ccc(C[N@@H+]2CC[C@@H](O)C23CCCC3)c(Cl)c1 ZINC000292670412 223193793 /nfs/dbraw/zinc/19/37/93/223193793.db2.gz JCZLNCTYOMFMIW-CQSZACIVSA-N 1 1 310.781 3.128 20 5 DGBDMO O=[N+]([O-])c1ccc(Cl)c(C[N@@H+]2CC[C@H](O)C23CCCC3)c1 ZINC000292656535 223187397 /nfs/dbraw/zinc/18/73/97/223187397.db2.gz IHHNRLBITQKQMK-AWEZNQCLSA-N 1 1 310.781 3.128 20 5 DGBDMO C[C@H]1C[C@@H](O)CC[N@H+]1Cc1ccc(-c2ccc([N+](=O)[O-])cc2)o1 ZINC000292730372 223221253 /nfs/dbraw/zinc/22/12/53/223221253.db2.gz GFGGNMWSPRHKLS-WFASDCNBSA-N 1 1 316.357 3.200 20 5 DGBDMO O=[N+]([O-])c1ccc2c(c1)[C@@H]([NH2+][C@H](CCO)c1ccco1)CCC2 ZINC000193297194 201023237 /nfs/dbraw/zinc/02/32/37/201023237.db2.gz XTLZWOFYEQDINS-JKSUJKDBSA-N 1 1 316.357 3.279 20 5 DGBDMO C[C@@H]1CCC[N@@H+](CCCCNc2cc(N)ccc2[N+](=O)[O-])C1 ZINC000193386746 201043093 /nfs/dbraw/zinc/04/30/93/201043093.db2.gz RKMNOLVMXOADAR-CYBMUJFWSA-N 1 1 306.410 3.101 20 5 DGBDMO C[N@@H+](CCc1cccs1)Cc1ccc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000194009892 201161654 /nfs/dbraw/zinc/16/16/54/201161654.db2.gz MTJOGCHRRSRGFE-UHFFFAOYSA-N 1 1 321.358 3.239 20 5 DGBDMO CC(C)[C@H](C)[N@@H+](C)CCC(=O)Nc1cc([N+](=O)[O-])ccc1F ZINC000275479942 212360245 /nfs/dbraw/zinc/36/02/45/212360245.db2.gz NLPUPDLBJYCKAJ-NSHDSACASA-N 1 1 311.357 3.039 20 5 DGBDMO C[C@H]([NH2+]Cc1cc(C(F)(F)F)n[nH]1)c1ccc([N+](=O)[O-])cc1 ZINC000449347489 240150961 /nfs/dbraw/zinc/15/09/61/240150961.db2.gz IFAIKLWZNIYICD-QMMMGPOBSA-N 1 1 314.267 3.188 20 5 DGBDMO Cc1c(C[N@H+]2CCC[C@H](c3ccc([N+](=O)[O-])cc3)C2)cnn1C ZINC000449503558 240250283 /nfs/dbraw/zinc/25/02/83/240250283.db2.gz UHOJBIRDUIMSJN-HNNXBMFYSA-N 1 1 314.389 3.016 20 5 DGBDMO C[N@@H+](C/C=C\c1ccccc1[N+](=O)[O-])[C@H](CO)CC(C)(C)C ZINC000449581839 240304566 /nfs/dbraw/zinc/30/45/66/240304566.db2.gz CETNNYDBRFCAAS-VIHMKRCTSA-N 1 1 306.406 3.337 20 5 DGBDMO C/C(=C\c1cccc([N+](=O)[O-])c1)C[N@H+]1CC[C@H](O)CC(C)(C)C1 ZINC000449620129 240323204 /nfs/dbraw/zinc/32/32/04/240323204.db2.gz SNGWTGYEWSWITJ-ZGUWOUCSSA-N 1 1 318.417 3.481 20 5 DGBDMO CCOc1ccc([N+](=O)[O-])cc1C[NH2+]Cc1cnc(C)cc1C ZINC000449735981 240389381 /nfs/dbraw/zinc/38/93/81/240389381.db2.gz TZFLBLANAGOVLV-UHFFFAOYSA-N 1 1 315.373 3.295 20 5 DGBDMO C[C@H](c1ccccn1)[N@@H+](C)CCOc1ccc([N+](=O)[O-])cc1 ZINC000091703598 193094011 /nfs/dbraw/zinc/09/40/11/193094011.db2.gz KAPSOEKNAPGWFW-CYBMUJFWSA-N 1 1 301.346 3.062 20 5 DGBDMO CCO[C@@H]1CC[N@H+](Cc2c(Cl)cccc2[N+](=O)[O-])C[C@H]1C ZINC000451536778 241162852 /nfs/dbraw/zinc/16/28/52/241162852.db2.gz IALDEXFSWUDLAX-IAQYHMDHSA-N 1 1 312.797 3.495 20 5 DGBDMO CCO[C@@H]1CC[N@@H+](Cc2c(Cl)cccc2[N+](=O)[O-])C[C@H]1C ZINC000451536778 241162861 /nfs/dbraw/zinc/16/28/61/241162861.db2.gz IALDEXFSWUDLAX-IAQYHMDHSA-N 1 1 312.797 3.495 20 5 DGBDMO COc1cc([N+](=O)[O-])ccc1C[N@H+]1CCC[C@@]2(CCSC2)C1 ZINC000451964492 241285755 /nfs/dbraw/zinc/28/57/55/241285755.db2.gz JJYDZPZTSVHFOK-MRXNPFEDSA-N 1 1 322.430 3.323 20 5 DGBDMO CCC[C@@H](C)[C@H]1CCC[N@H+]1Cc1ccc(C(N)=O)cc1[N+](=O)[O-] ZINC000135328598 432112270 /nfs/dbraw/zinc/11/22/70/432112270.db2.gz GWMKRKJBBZIFNC-IUODEOHRSA-N 1 1 319.405 3.094 20 5 DGBDMO O=[N+]([O-])c1cccc2c1CC[N@H+](Cc1cccc3c[nH]nc31)C2 ZINC000093443705 284012584 /nfs/dbraw/zinc/01/25/84/284012584.db2.gz VYEYGSKTEWIGDK-UHFFFAOYSA-N 1 1 308.341 3.029 20 5 DGBDMO O=[N+]([O-])c1cccc2c1CC[N@@H+](Cc1cccc3c[nH]nc31)C2 ZINC000093443705 284012585 /nfs/dbraw/zinc/01/25/85/284012585.db2.gz VYEYGSKTEWIGDK-UHFFFAOYSA-N 1 1 308.341 3.029 20 5 DGBDMO O=[N+]([O-])c1ccccc1C[N@H+](CCn1cc(Cl)cn1)C1CC1 ZINC000459362126 243347817 /nfs/dbraw/zinc/34/78/17/243347817.db2.gz GWTURZXZPKPTPG-UHFFFAOYSA-N 1 1 320.780 3.109 20 5 DGBDMO O=[N+]([O-])c1ccccc1C[N@@H+](CCn1cc(Cl)cn1)C1CC1 ZINC000459362126 243347819 /nfs/dbraw/zinc/34/78/19/243347819.db2.gz GWTURZXZPKPTPG-UHFFFAOYSA-N 1 1 320.780 3.109 20 5 DGBDMO C[C@@H](C[N@H+](C)Cc1csc([N+](=O)[O-])c1)C(=O)OC(C)(C)C ZINC000459776145 243496234 /nfs/dbraw/zinc/49/62/34/243496234.db2.gz RAIFQLAEYXORAN-JTQLQIEISA-N 1 1 314.407 3.066 20 5 DGBDMO C[C@@H](C[N@@H+](C)Cc1csc([N+](=O)[O-])c1)C(=O)OC(C)(C)C ZINC000459776145 243496239 /nfs/dbraw/zinc/49/62/39/243496239.db2.gz RAIFQLAEYXORAN-JTQLQIEISA-N 1 1 314.407 3.066 20 5 DGBDMO CC[C@@H]1C[C@@H](C)C[N@H+]1CCOc1ccc(OC)cc1[N+](=O)[O-] ZINC000466931582 243957338 /nfs/dbraw/zinc/95/73/38/243957338.db2.gz XCKAUAWHMBJQKG-CHWSQXEVSA-N 1 1 308.378 3.103 20 5 DGBDMO CC[C@H](C)[N@H+](C)CCNC/C(C)=C/c1cccc([N+](=O)[O-])c1 ZINC000468647974 244059049 /nfs/dbraw/zinc/05/90/49/244059049.db2.gz IDNAVYREGIBAAE-GOFCXVBSSA-N 1 1 305.422 3.318 20 5 DGBDMO CC[C@H](C)[N@@H+](C)CCNC/C(C)=C/c1cccc([N+](=O)[O-])c1 ZINC000468647974 244059053 /nfs/dbraw/zinc/05/90/53/244059053.db2.gz IDNAVYREGIBAAE-GOFCXVBSSA-N 1 1 305.422 3.318 20 5 DGBDMO C/C(=C\c1cccc([N+](=O)[O-])c1)C[N@@H+]1CCO[C@@H]2CCC[C@H]21 ZINC000470179274 244156741 /nfs/dbraw/zinc/15/67/41/244156741.db2.gz VPBFVVVSTWEJFO-WCEBEWAISA-N 1 1 302.374 3.251 20 5 DGBDMO C/C(=C\c1cccc([N+](=O)[O-])c1)C[N@H+]1CCO[C@@H]2CCC[C@H]21 ZINC000470179274 244156746 /nfs/dbraw/zinc/15/67/46/244156746.db2.gz VPBFVVVSTWEJFO-WCEBEWAISA-N 1 1 302.374 3.251 20 5 DGBDMO COc1ccc(OCC[N@H+]2C[C@H](C)CC2(C)C)c([N+](=O)[O-])c1 ZINC000472299701 244296333 /nfs/dbraw/zinc/29/63/33/244296333.db2.gz VNJMLXNCQBPZRI-GFCCVEGCSA-N 1 1 308.378 3.103 20 5 DGBDMO COC(=O)CC[N@H+](Cc1c(Cl)cccc1[N+](=O)[O-])C(C)C ZINC000119117434 284134842 /nfs/dbraw/zinc/13/48/42/284134842.db2.gz QHVSKWFAWGODLJ-UHFFFAOYSA-N 1 1 314.769 3.022 20 5 DGBDMO COC(=O)CC[N@@H+](Cc1c(Cl)cccc1[N+](=O)[O-])C(C)C ZINC000119117434 284134845 /nfs/dbraw/zinc/13/48/45/284134845.db2.gz QHVSKWFAWGODLJ-UHFFFAOYSA-N 1 1 314.769 3.022 20 5 DGBDMO O=[N+]([O-])c1cccc(-c2cnc(CC[N@H+]3C[C@@H]4CCC[C@H]43)o2)c1 ZINC000472562113 244308497 /nfs/dbraw/zinc/30/84/97/244308497.db2.gz HBXZLDLABHURQY-DZGCQCFKSA-N 1 1 313.357 3.277 20 5 DGBDMO CC[N@@H+](C)C[C@@H]1CCN(Cc2c(Cl)cccc2[N+](=O)[O-])C1 ZINC000119289999 284139784 /nfs/dbraw/zinc/13/97/84/284139784.db2.gz GVVXTLABVORGLX-LBPRGKRZSA-N 1 1 311.813 3.022 20 5 DGBDMO CC[N@H+]1CC[C@H]2CC[C@@H](C1)N2Cc1c(Cl)cccc1[N+](=O)[O-] ZINC000119307772 284140115 /nfs/dbraw/zinc/14/01/15/284140115.db2.gz ASCAPSKIIBLBKX-OLZOCXBDSA-N 1 1 323.824 3.307 20 5 DGBDMO CC(C)CO[C@@H]1CC[N@H+](Cc2c(Cl)cccc2[N+](=O)[O-])C1 ZINC000119336525 284141047 /nfs/dbraw/zinc/14/10/47/284141047.db2.gz DYSFFDJRNXRJMX-GFCCVEGCSA-N 1 1 312.797 3.495 20 5 DGBDMO CC(C)CO[C@@H]1CC[N@@H+](Cc2c(Cl)cccc2[N+](=O)[O-])C1 ZINC000119336525 284141052 /nfs/dbraw/zinc/14/10/52/284141052.db2.gz DYSFFDJRNXRJMX-GFCCVEGCSA-N 1 1 312.797 3.495 20 5 DGBDMO C[N@H+]1CCC[C@@H]2CN(Cc3c(Cl)cccc3[N+](=O)[O-])CC[C@@H]21 ZINC000119359907 284141592 /nfs/dbraw/zinc/14/15/92/284141592.db2.gz NKUJGQYPMXWKQL-DOMZBBRYSA-N 1 1 323.824 3.164 20 5 DGBDMO CCOCC[N@@H+](C)Cc1cc(=O)oc2ccc3ccccc3c12 ZINC000093317120 193229993 /nfs/dbraw/zinc/22/99/93/193229993.db2.gz PTLWFILCZAJALC-UHFFFAOYSA-N 1 1 311.381 3.415 20 5 DGBDMO Cc1ccsc1C[N@H+]1CC[C@@H](Nc2ccc([N+](=O)[O-])cn2)C1 ZINC000093534406 193266872 /nfs/dbraw/zinc/26/68/72/193266872.db2.gz KHCBLMAYYFJDPB-GFCCVEGCSA-N 1 1 318.402 3.046 20 5 DGBDMO Cc1ccc(C[N@@H+](C)CCC(=O)OC(C)(C)C)cc1[N+](=O)[O-] ZINC000093686597 193289873 /nfs/dbraw/zinc/28/98/73/193289873.db2.gz FZXYYRIOLPKPSH-UHFFFAOYSA-N 1 1 308.378 3.067 20 5 DGBDMO COCC[N@H+](Cc1ccc(C)o1)Cc1ccc(C)c([N+](=O)[O-])c1 ZINC000093707179 193296168 /nfs/dbraw/zinc/29/61/68/193296168.db2.gz YMEMFJSQMQLULH-UHFFFAOYSA-N 1 1 318.373 3.453 20 5 DGBDMO COCC[N@@H+](Cc1ccc(C)o1)Cc1ccc(C)c([N+](=O)[O-])c1 ZINC000093707179 193296170 /nfs/dbraw/zinc/29/61/70/193296170.db2.gz YMEMFJSQMQLULH-UHFFFAOYSA-N 1 1 318.373 3.453 20 5 DGBDMO CCC[C@@H]1CCC[N@@H+](CCC(=O)Nc2ccccc2[N+](=O)[O-])C1 ZINC000120837647 284179691 /nfs/dbraw/zinc/17/96/91/284179691.db2.gz MCEOOPCCUDAAKH-CQSZACIVSA-N 1 1 319.405 3.436 20 5 DGBDMO CC(C)[C@H]1CN(Cc2ccc([N+](=O)[O-])cc2Cl)CC[N@H+]1C ZINC000487999135 245133865 /nfs/dbraw/zinc/13/38/65/245133865.db2.gz KUNWKGGNDXGAOZ-OAHLLOKOSA-N 1 1 311.813 3.020 20 5 DGBDMO COCC[N@@H+](Cc1ccc(OC)c([N+](=O)[O-])c1)[C@@H]1CCC[C@@H]1C ZINC000488062778 245140805 /nfs/dbraw/zinc/14/08/05/245140805.db2.gz OTCVHTXPPZYQFR-DZGCQCFKSA-N 1 1 322.405 3.240 20 5 DGBDMO COCC[N@H+](Cc1ccc(C)o1)Cc1cccc([N+](=O)[O-])c1C ZINC000125877273 284287136 /nfs/dbraw/zinc/28/71/36/284287136.db2.gz MYRYPSJIXANFJM-UHFFFAOYSA-N 1 1 318.373 3.453 20 5 DGBDMO COCC[N@@H+](Cc1ccc(C)o1)Cc1cccc([N+](=O)[O-])c1C ZINC000125877273 284287141 /nfs/dbraw/zinc/28/71/41/284287141.db2.gz MYRYPSJIXANFJM-UHFFFAOYSA-N 1 1 318.373 3.453 20 5 DGBDMO Cc1cc([N+](=O)[O-])ccc1NC(=O)C[N@@H+]1[C@H](C)CCC[C@@H]1C ZINC000015467195 182004018 /nfs/dbraw/zinc/00/40/18/182004018.db2.gz URBQVTXLUZTKRD-BETUJISGSA-N 1 1 305.378 3.105 20 5 DGBDMO COc1cc(NCCCCn2cc[nH+]c2C)ccc1[N+](=O)[O-] ZINC000266237592 205206468 /nfs/dbraw/zinc/20/64/68/205206468.db2.gz KQBJUISQSREXJD-UHFFFAOYSA-N 1 1 304.350 3.001 20 5 DGBDMO CCOCC[N@@H+](C)Cc1ccc(-c2ccc([N+](=O)[O-])cc2)o1 ZINC000181488546 432131819 /nfs/dbraw/zinc/13/18/19/432131819.db2.gz WMAQNGJCWXELHG-UHFFFAOYSA-N 1 1 304.346 3.323 20 5 DGBDMO CCCC[N@@H+](C)[C@H](C)C(=O)Nc1ccc([N+](=O)[O-])cc1Cl ZINC000023991630 182371380 /nfs/dbraw/zinc/37/13/80/182371380.db2.gz GEKAQNRADJBURB-SNVBAGLBSA-N 1 1 313.785 3.307 20 5 DGBDMO C[C@H]([N@@H+](C)CCC(=O)Nc1ccccc1[N+](=O)[O-])C1(C)CC1 ZINC000283344978 217570292 /nfs/dbraw/zinc/57/02/92/217570292.db2.gz QOHSNWQETXZCMK-LBPRGKRZSA-N 1 1 305.378 3.044 20 5 DGBDMO Cc1c(NC(=O)CC[N@H+](C)[C@@H](C)C2(C)CC2)cccc1[N+](=O)[O-] ZINC000267798265 206289559 /nfs/dbraw/zinc/28/95/59/206289559.db2.gz XOQLLPKVZWHUDU-ZDUSSCGKSA-N 1 1 319.405 3.352 20 5 DGBDMO C[C@H](c1cccc(O)c1)[N@@H+](C)CCOc1ccc([N+](=O)[O-])cc1 ZINC000109781047 194285524 /nfs/dbraw/zinc/28/55/24/194285524.db2.gz XRLJZUQKVAXZBE-CYBMUJFWSA-N 1 1 316.357 3.372 20 5 DGBDMO COc1cc(NCCCC[N@@H+](C)C2CC2)c(F)cc1[N+](=O)[O-] ZINC000413347198 533029452 /nfs/dbraw/zinc/02/94/52/533029452.db2.gz KNCPGESRGHAUEL-UHFFFAOYSA-N 1 1 311.357 3.029 20 5 DGBDMO C[C@H]1C[C@H](Nc2ccc([N+](=O)[O-])c3ncccc23)CC[N@H+]1C ZINC000336854808 253008520 /nfs/dbraw/zinc/00/85/20/253008520.db2.gz RTLFJRGMBOPLKN-NWDGAFQWSA-N 1 1 300.362 3.038 20 5 DGBDMO CC(C)(C)CCC[N@H+]1CC[C@H](Nc2ccc([N+](=O)[O-])cn2)C1 ZINC000337192364 253059812 /nfs/dbraw/zinc/05/98/12/253059812.db2.gz UQSKYAZGRRJQCY-ZDUSSCGKSA-N 1 1 306.410 3.302 20 5 DGBDMO CC(C)[N@@H+](CCC(=O)Nc1ccccc1[N+](=O)[O-])C1CCC1 ZINC000337321530 253086695 /nfs/dbraw/zinc/08/66/95/253086695.db2.gz QHDOKEVWELOVQO-UHFFFAOYSA-N 1 1 305.378 3.186 20 5 DGBDMO CCOc1cc(NCCCn2cc[nH+]c2C)ccc1[N+](=O)[O-] ZINC000337797236 253176542 /nfs/dbraw/zinc/17/65/42/253176542.db2.gz GPJGQGBTVNAEJW-UHFFFAOYSA-N 1 1 304.350 3.001 20 5 DGBDMO Cc1cnc(N[C@H](C)[C@H]2CCC[N@H+](C3CCC3)C2)c([N+](=O)[O-])c1 ZINC000273011028 210390588 /nfs/dbraw/zinc/39/05/88/210390588.db2.gz SDGISJILQFLEAM-KGLIPLIRSA-N 1 1 318.421 3.363 20 5 DGBDMO C[N@H+](C/C=C\c1ccccc1[N+](=O)[O-])CCC1CCOCC1 ZINC000254914004 285112647 /nfs/dbraw/zinc/11/26/47/285112647.db2.gz CDECEVAQLUYKRQ-XQRVVYSFSA-N 1 1 304.390 3.357 20 5 DGBDMO Cc1nc(N[C@@H](C)[C@@H]2CCC[N@H+](C3CCC3)C2)ccc1[N+](=O)[O-] ZINC000272904184 210290628 /nfs/dbraw/zinc/29/06/28/210290628.db2.gz IZXZSJPNLMQBHQ-GXTWGEPZSA-N 1 1 318.421 3.363 20 5 DGBDMO O=[N+]([O-])c1cccc(Cl)c1C[N@@H+]1CCC[C@@]2(CCOC2)C1 ZINC000451909990 285153402 /nfs/dbraw/zinc/15/34/02/285153402.db2.gz MFNIQHNPBJWDQO-OAHLLOKOSA-N 1 1 310.781 3.251 20 5 DGBDMO O=[N+]([O-])c1cccc(Cl)c1C[N@H+]1CCC[C@@]2(CCOC2)C1 ZINC000451909990 285153407 /nfs/dbraw/zinc/15/34/07/285153407.db2.gz MFNIQHNPBJWDQO-OAHLLOKOSA-N 1 1 310.781 3.251 20 5 DGBDMO O=[N+]([O-])c1cccc(Cl)c1C[N@@H+]1CCOC[C@@H](C2CCC2)C1 ZINC000429239591 285154403 /nfs/dbraw/zinc/15/44/03/285154403.db2.gz GTZGYYZWLSNMHK-ZDUSSCGKSA-N 1 1 324.808 3.497 20 5 DGBDMO O=[N+]([O-])c1cccc(Cl)c1C[N@H+]1CCOC[C@@H](C2CCC2)C1 ZINC000429239591 285154405 /nfs/dbraw/zinc/15/44/05/285154405.db2.gz GTZGYYZWLSNMHK-ZDUSSCGKSA-N 1 1 324.808 3.497 20 5 DGBDMO O=[N+]([O-])c1ccccc1C[N@H+](CCO[C@H]1CCCCO1)C1CC1 ZINC000193075620 285160005 /nfs/dbraw/zinc/16/00/05/285160005.db2.gz GOCUKLZNWKWHHJ-KRWDZBQOSA-N 1 1 320.389 3.102 20 5 DGBDMO O=[N+]([O-])c1ccccc1C[N@@H+](CCO[C@H]1CCCCO1)C1CC1 ZINC000193075620 285160010 /nfs/dbraw/zinc/16/00/10/285160010.db2.gz GOCUKLZNWKWHHJ-KRWDZBQOSA-N 1 1 320.389 3.102 20 5 DGBDMO CCCC[N@@H+](C)CCNc1ccc2ncccc2c1[N+](=O)[O-] ZINC000343288911 254124420 /nfs/dbraw/zinc/12/44/20/254124420.db2.gz YSSZEBYUXGLMHY-UHFFFAOYSA-N 1 1 302.378 3.287 20 5 DGBDMO Cc1cc(N(C)CCC[N@@H+](C)Cc2ccco2)ccc1[N+](=O)[O-] ZINC000343795077 254189610 /nfs/dbraw/zinc/18/96/10/254189610.db2.gz WOPSQUDFFZLMFE-UHFFFAOYSA-N 1 1 317.389 3.455 20 5 DGBDMO CC[C@]1(C)CC[N@H+]([C@@H](C)C(=O)Nc2cccc([N+](=O)[O-])c2)C1 ZINC000344214660 254240440 /nfs/dbraw/zinc/24/04/40/254240440.db2.gz CCNRKXOSPKTDGW-BLLLJJGKSA-N 1 1 305.378 3.044 20 5 DGBDMO CC[C@@]1(C)CC[N@@H+](Cc2nc(-c3ccc([N+](=O)[O-])cc3)no2)C1 ZINC000344275487 254249206 /nfs/dbraw/zinc/24/92/06/254249206.db2.gz SVZQGLRSLNGHJF-INIZCTEOSA-N 1 1 316.361 3.267 20 5 DGBDMO C/C(=C/c1cccc([N+](=O)[O-])c1)C[N@H+]1CC[C@H]([C@@H]2CCOC2)C1 ZINC000470178926 533382311 /nfs/dbraw/zinc/38/23/11/533382311.db2.gz PVYOXFYNAQKIOM-WGWXLZAMSA-N 1 1 316.401 3.357 20 5 DGBDMO COc1ccc(C[N@H+]2CCC[C@H](CSC)C2)cc1[N+](=O)[O-] ZINC000292426321 533558461 /nfs/dbraw/zinc/55/84/61/533558461.db2.gz NEEODXQSEOJLEH-ZDUSSCGKSA-N 1 1 310.419 3.178 20 5 DGBDMO C[C@@H]1C[C@@H](Nc2nccc3ccc([N+](=O)[O-])cc32)CC[N@H+]1C ZINC000413155929 533663734 /nfs/dbraw/zinc/66/37/34/533663734.db2.gz DGLSXEGIYUEDBE-YPMHNXCESA-N 1 1 300.362 3.038 20 5 DGBDMO CCn1cc([C@@H](C)[NH2+][C@H](C)c2ccc([N+](=O)[O-])cc2OC)cn1 ZINC000595051235 400090615 /nfs/dbraw/zinc/09/06/15/400090615.db2.gz LWOVMMPMJMUIDG-VXGBXAGGSA-N 1 1 318.377 3.232 20 5 DGBDMO Cc1ccc([C@@H](C)N[C@H]2CC[N@H+](C(C)(C)C)C2)cc1[N+](=O)[O-] ZINC000595056365 400093025 /nfs/dbraw/zinc/09/30/25/400093025.db2.gz FRPVHNOOGVFYKY-HIFRSBDPSA-N 1 1 305.422 3.427 20 5 DGBDMO Cc1ccc([C@@H](C)[NH2+][C@H]2CCN(C(C)(C)C)C2)cc1[N+](=O)[O-] ZINC000595056365 400093030 /nfs/dbraw/zinc/09/30/30/400093030.db2.gz FRPVHNOOGVFYKY-HIFRSBDPSA-N 1 1 305.422 3.427 20 5 DGBDMO C[C@H](C(=O)Nc1ccccc1[N+](=O)[O-])[N@H+](C)Cc1ccccc1 ZINC000007380835 400103031 /nfs/dbraw/zinc/10/30/31/400103031.db2.gz LUKHDHCUNLTRDS-CYBMUJFWSA-N 1 1 313.357 3.054 20 5 DGBDMO C[C@H](C(=O)Nc1ccccc1[N+](=O)[O-])[N@@H+](C)Cc1ccccc1 ZINC000007380835 400103036 /nfs/dbraw/zinc/10/30/36/400103036.db2.gz LUKHDHCUNLTRDS-CYBMUJFWSA-N 1 1 313.357 3.054 20 5 DGBDMO O=[N+]([O-])c1ncccc1N[C@@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000302885832 400103495 /nfs/dbraw/zinc/10/34/95/400103495.db2.gz YHZMBKMKMRAJMK-OAHLLOKOSA-N 1 1 312.373 3.066 20 5 DGBDMO Cn1ccnc1[C@H]([NH2+]C1CC(C)(C)C1)c1cccc([N+](=O)[O-])c1 ZINC000595107708 400109010 /nfs/dbraw/zinc/10/90/10/400109010.db2.gz HNQCSGAVJAARDI-OAHLLOKOSA-N 1 1 314.389 3.196 20 5 DGBDMO O=[N+]([O-])c1ccc(OCCC[N@H+]2CCC[C@H]2[C@@H]2CCCO2)cc1 ZINC000285027344 400079272 /nfs/dbraw/zinc/07/92/72/400079272.db2.gz ZWSHDBADIJOPCY-IRXDYDNUSA-N 1 1 320.389 3.007 20 5 DGBDMO CCCC[N@@H+](C)[C@H](C)c1nnc(-c2ccc([N+](=O)[O-])cc2)o1 ZINC000066861689 400125900 /nfs/dbraw/zinc/12/59/00/400125900.db2.gz YMLWTBHILXOICY-LLVKDONJSA-N 1 1 304.350 3.438 20 5 DGBDMO Cc1noc(C[N@H+]2CCC[C@@H]2Cc2ccc(C)cc2)c1[N+](=O)[O-] ZINC000595321027 400126330 /nfs/dbraw/zinc/12/63/30/400126330.db2.gz VTJMDAOUCSKFLA-OAHLLOKOSA-N 1 1 315.373 3.407 20 5 DGBDMO CC[N@H+]1CC[C@@H](N(C)Cc2ccc(F)cc2[N+](=O)[O-])C[C@@H]1C ZINC000595346474 400132768 /nfs/dbraw/zinc/13/27/68/400132768.db2.gz JJYHIXORTYOBPN-SWLSCSKDSA-N 1 1 309.385 3.039 20 5 DGBDMO Cn1cccc1[C@H]1CCC[N@@H+]1Cc1ccc(F)cc1[N+](=O)[O-] ZINC000595350770 400133966 /nfs/dbraw/zinc/13/39/66/400133966.db2.gz KPZMRSIKHZFKBH-OAHLLOKOSA-N 1 1 303.337 3.410 20 5 DGBDMO Cn1cccc1[C@H]1CCC[N@H+]1Cc1ccc(F)cc1[N+](=O)[O-] ZINC000595350770 400133971 /nfs/dbraw/zinc/13/39/71/400133971.db2.gz KPZMRSIKHZFKBH-OAHLLOKOSA-N 1 1 303.337 3.410 20 5 DGBDMO O=[N+]([O-])c1ccc(N[C@H]2CC[N@H+](C3CC3)C2)c(C(F)(F)F)c1 ZINC000314856686 400141559 /nfs/dbraw/zinc/14/15/59/400141559.db2.gz VEOADXASTMAAIF-VIFPVBQESA-N 1 1 315.295 3.262 20 5 DGBDMO COC[C@H]([NH2+]Cc1ccc(F)cc1[N+](=O)[O-])c1ccccc1 ZINC000595414328 400143098 /nfs/dbraw/zinc/14/30/98/400143098.db2.gz HQPOSNMHPCZJMU-HNNXBMFYSA-N 1 1 304.321 3.211 20 5 DGBDMO C[C@@H](C[N@@H+](C)Cc1ccc(F)cc1[N+](=O)[O-])c1nccs1 ZINC000595423633 400145517 /nfs/dbraw/zinc/14/55/17/400145517.db2.gz FHDJGPNOKTUYAQ-JTQLQIEISA-N 1 1 309.366 3.426 20 5 DGBDMO CC[N@H+](Cc1cc([N+](=O)[O-])ccc1OC(C)C)C[C@H]1CCOC1 ZINC000609203705 400149784 /nfs/dbraw/zinc/14/97/84/400149784.db2.gz OCPYNRVGNFNJFW-CQSZACIVSA-N 1 1 322.405 3.240 20 5 DGBDMO O=[N+]([O-])c1cc(Cl)ccc1C[N@@H+]1CCC[C@H](n2ccnc2)C1 ZINC000609705003 400187395 /nfs/dbraw/zinc/18/73/95/400187395.db2.gz DPEOKMIVQLCCCD-AWEZNQCLSA-N 1 1 320.780 3.282 20 5 DGBDMO O=[N+]([O-])c1cc(Cl)ccc1C[N@H+]1CCC[C@H](n2ccnc2)C1 ZINC000609705003 400187397 /nfs/dbraw/zinc/18/73/97/400187397.db2.gz DPEOKMIVQLCCCD-AWEZNQCLSA-N 1 1 320.780 3.282 20 5 DGBDMO Cc1noc(C[N@@H+]2CCC(C)=C(c3ccco3)C2)c1[N+](=O)[O-] ZINC000595474094 400161613 /nfs/dbraw/zinc/16/16/13/400161613.db2.gz CXBSXBVSFTVTAN-UHFFFAOYSA-N 1 1 303.318 3.164 20 5 DGBDMO Cc1noc(C[N@H+]2CCC(C)=C(c3ccco3)C2)c1[N+](=O)[O-] ZINC000595474094 400161615 /nfs/dbraw/zinc/16/16/15/400161615.db2.gz CXBSXBVSFTVTAN-UHFFFAOYSA-N 1 1 303.318 3.164 20 5 DGBDMO CCOc1cc(N2CCC[C@@H](c3[nH]cc[nH+]3)C2)ccc1[N+](=O)[O-] ZINC000092649365 400188288 /nfs/dbraw/zinc/18/82/88/400188288.db2.gz HLIBQFKUSUYJDU-GFCCVEGCSA-N 1 1 316.361 3.101 20 5 DGBDMO C[C@H](CO)[C@@H]1CCCC[N@H+]1Cc1ccc([N+](=O)[O-])cc1Cl ZINC000595677563 400224785 /nfs/dbraw/zinc/22/47/85/400224785.db2.gz PAXHNFYMNIYPRP-ABAIWWIYSA-N 1 1 312.797 3.231 20 5 DGBDMO CO[C@H]1CCN(c2cc[nH+]c3ccc([N+](=O)[O-])cc32)C[C@H]1C ZINC000601171858 400256057 /nfs/dbraw/zinc/25/60/57/400256057.db2.gz RRWJAZZFZLBGBY-BZNIZROVSA-N 1 1 301.346 3.004 20 5 DGBDMO C[C@H]1CCC[N@@H+](Cc2ccc(Cl)cc2[N+](=O)[O-])[C@H]1CCO ZINC000595706027 400237929 /nfs/dbraw/zinc/23/79/29/400237929.db2.gz WRGKYURGEMBWAT-FZMZJTMJSA-N 1 1 312.797 3.231 20 5 DGBDMO O=[N+]([O-])c1ccc2oc(C[N@H+]3CCC[C@@H](CCF)C3)nc2c1 ZINC000595755759 400251429 /nfs/dbraw/zinc/25/14/29/400251429.db2.gz PSXROCQXUQRRAJ-NSHDSACASA-N 1 1 307.325 3.308 20 5 DGBDMO C[C@@H]1C[C@@H](Nc2ccc([N+](=O)[O-])c3cccnc23)C[N@H+]1C1CC1 ZINC000092672340 400192568 /nfs/dbraw/zinc/19/25/68/400192568.db2.gz UUWOJZJFADDQJB-VXGBXAGGSA-N 1 1 312.373 3.180 20 5 DGBDMO Cc1cccc(C)c1[C@H]1CCC[N@H+]1CCn1ccc([N+](=O)[O-])n1 ZINC000595601113 400198387 /nfs/dbraw/zinc/19/83/87/400198387.db2.gz NBENRYSOWAGOAS-OAHLLOKOSA-N 1 1 314.389 3.245 20 5 DGBDMO O=[N+]([O-])c1ccccc1-c1ccc(C[N@@H+]2CC[C@@H](CO)C2)s1 ZINC000092763811 400203069 /nfs/dbraw/zinc/20/30/69/400203069.db2.gz KYBMRXTZEMLAKC-GFCCVEGCSA-N 1 1 318.398 3.138 20 5 DGBDMO CC(C)C[N@@H+](C)[C@@H](C)c1nnc(-c2ccc([N+](=O)[O-])cc2)o1 ZINC000068334879 400254236 /nfs/dbraw/zinc/25/42/36/400254236.db2.gz YGNUPFPFCKUONT-NSHDSACASA-N 1 1 304.350 3.294 20 5 DGBDMO C[C@H]1COC2(CCCC2)C[N@@H+]1CCOc1ccccc1[N+](=O)[O-] ZINC000595814330 400266640 /nfs/dbraw/zinc/26/66/40/400266640.db2.gz FMXJLAIJTKNXJG-AWEZNQCLSA-N 1 1 320.389 3.007 20 5 DGBDMO C[C@H]1COC2(CCCC2)C[N@H+]1CCOc1ccccc1[N+](=O)[O-] ZINC000595814330 400266644 /nfs/dbraw/zinc/26/66/44/400266644.db2.gz FMXJLAIJTKNXJG-AWEZNQCLSA-N 1 1 320.389 3.007 20 5 DGBDMO CN(c1ccccc1)[C@H]1CC[N@H+](Cc2csc([N+](=O)[O-])c2)C1 ZINC000595825245 400270895 /nfs/dbraw/zinc/27/08/95/400270895.db2.gz DHHWLYUTWKWGSQ-HNNXBMFYSA-N 1 1 317.414 3.367 20 5 DGBDMO CN(c1ccccc1)[C@H]1CC[N@@H+](Cc2csc([N+](=O)[O-])c2)C1 ZINC000595825245 400270901 /nfs/dbraw/zinc/27/09/01/400270901.db2.gz DHHWLYUTWKWGSQ-HNNXBMFYSA-N 1 1 317.414 3.367 20 5 DGBDMO C[C@H](C(=O)Nc1cccc([N+](=O)[O-])c1)[N@@H+]1[C@@H]2CC[C@H]1CC(C)C2 ZINC000595857625 400282559 /nfs/dbraw/zinc/28/25/59/400282559.db2.gz MGAHOJYMRSVEAT-YBVGDJDPSA-N 1 1 317.389 3.185 20 5 DGBDMO CC[C@@H]1CCC[C@H](C)[N@H+]1CC(=O)Nc1ccccc1[N+](=O)[O-] ZINC000595867455 400283035 /nfs/dbraw/zinc/28/30/35/400283035.db2.gz NQINBADOXYAENU-QWHCGFSZSA-N 1 1 305.378 3.186 20 5 DGBDMO CCC[N@@H+](CC)C[C@H](C)NCc1ccc([N+](=O)[O-])cc1Cl ZINC000589328724 400289902 /nfs/dbraw/zinc/28/99/02/400289902.db2.gz UMHHKVDFLUIRDF-LBPRGKRZSA-N 1 1 313.829 3.458 20 5 DGBDMO Cc1noc(CSCC[N@H+](C)Cc2ccccc2)c1[N+](=O)[O-] ZINC000596019588 400300396 /nfs/dbraw/zinc/30/03/96/400300396.db2.gz AVOWWEBPQYKKNS-UHFFFAOYSA-N 1 1 321.402 3.256 20 5 DGBDMO COC(=O)c1ccc([N+](=O)[O-])c(C[N@@H+](C)C2CCC(C)CC2)c1 ZINC000589495211 400301251 /nfs/dbraw/zinc/30/12/51/400301251.db2.gz IRDOMPCRZBQFRC-UHFFFAOYSA-N 1 1 320.389 3.392 20 5 DGBDMO Cc1cnn([C@H]2CC[N@@H+](C/C=C\c3ccccc3[N+](=O)[O-])C2)c1 ZINC000589521525 400304557 /nfs/dbraw/zinc/30/45/57/400304557.db2.gz DWUXUOXUFGJKNP-LEXSJLIMSA-N 1 1 312.373 3.060 20 5 DGBDMO COc1nc(C)cc(C)c1C[NH2+][C@H](C)c1ccc([N+](=O)[O-])cc1 ZINC000610809482 400310447 /nfs/dbraw/zinc/31/04/47/400310447.db2.gz CSMRWBFLGBGTSX-CYBMUJFWSA-N 1 1 315.373 3.466 20 5 DGBDMO COc1cc(N[C@@H]2CC[N@H+](C(C)C)C2)c(Cl)cc1[N+](=O)[O-] ZINC000596095104 400316904 /nfs/dbraw/zinc/31/69/04/400316904.db2.gz XZPCFDZUYPEGJO-SNVBAGLBSA-N 1 1 313.785 3.151 20 5 DGBDMO CC[C@@H]1CC[C@@H](C)[N@@H+](CC(=O)Nc2c(C)cccc2[N+](=O)[O-])C1 ZINC000595782337 400257972 /nfs/dbraw/zinc/25/79/72/400257972.db2.gz JGBCIQHNDCYYFR-ZIAGYGMSSA-N 1 1 319.405 3.352 20 5 DGBDMO O=[N+]([O-])c1cc(C[N@H+]2CCC[C@H]([C@H]3CCCCO3)C2)cs1 ZINC000595788282 400259133 /nfs/dbraw/zinc/25/91/33/400259133.db2.gz IFMSHZGVVBFVIC-UONOGXRCSA-N 1 1 310.419 3.437 20 5 DGBDMO O=[N+]([O-])c1cccc(C[N@H+]2CCC[C@H]([C@@H]3CCCCO3)C2)c1 ZINC000595787664 400259746 /nfs/dbraw/zinc/25/97/46/400259746.db2.gz FTURQROTMVNNIN-RDJZCZTQSA-N 1 1 304.390 3.376 20 5 DGBDMO O=[N+]([O-])c1cccc(C[N@H+]2CCC[C@@H]([C@@H]3CCCCO3)C2)c1 ZINC000595787665 400260067 /nfs/dbraw/zinc/26/00/67/400260067.db2.gz FTURQROTMVNNIN-WBVHZDCISA-N 1 1 304.390 3.376 20 5 DGBDMO O=[N+]([O-])c1ccc(C[N@H+]2CCC[C@@H]([C@@H]3CCCCO3)C2)cc1 ZINC000595789798 400260813 /nfs/dbraw/zinc/26/08/13/400260813.db2.gz OKQYKUFFVRSAKL-WBVHZDCISA-N 1 1 304.390 3.376 20 5 DGBDMO O=[N+]([O-])c1cc(C[NH+]2CCC([C@@H]3CCCCO3)CC2)cs1 ZINC000595790910 400261437 /nfs/dbraw/zinc/26/14/37/400261437.db2.gz ZMQOCYRLKPQYRS-AWEZNQCLSA-N 1 1 310.419 3.437 20 5 DGBDMO Cc1cc([N+](=O)[O-])ccc1NC(=O)C[N@H+]1CC[C@@H]2CCCC[C@@H]21 ZINC000072585597 400391060 /nfs/dbraw/zinc/39/10/60/400391060.db2.gz LEBFALYJCMYOMT-BBRMVZONSA-N 1 1 317.389 3.106 20 5 DGBDMO COc1cc([N+](=O)[O-])ccc1OC[C@@H]1CCCC[N@H+]1C(C)C ZINC000596254893 400362618 /nfs/dbraw/zinc/36/26/18/400362618.db2.gz UCHIQTBTCCRWLO-AWEZNQCLSA-N 1 1 308.378 3.245 20 5 DGBDMO COCC[N@@H+](C/C=C/c1ccccc1[N+](=O)[O-])C1CCCC1 ZINC000611257669 400367073 /nfs/dbraw/zinc/36/70/73/400367073.db2.gz BOKQZCWHYPPENR-SOFGYWHQSA-N 1 1 304.390 3.499 20 5 DGBDMO O=[N+]([O-])c1cc2c(cc1C[N@H+]1CCC[C@@H]3CCC[C@H]31)OCCO2 ZINC000611265440 400368618 /nfs/dbraw/zinc/36/86/18/400368618.db2.gz OOWUYECVGBKSLV-GXTWGEPZSA-N 1 1 318.373 3.131 20 5 DGBDMO O=[N+]([O-])c1c(N[C@@H]2CC[N@@H+](CC3CC3)C2)ccc2ncccc21 ZINC000112080869 400370765 /nfs/dbraw/zinc/37/07/65/400370765.db2.gz AZVUYXWIAZUYPO-CYBMUJFWSA-N 1 1 312.373 3.039 20 5 DGBDMO O=[N+]([O-])c1ccccc1/C=C\C[N@H+]1CC[C@H](C2CCOCC2)C1 ZINC000611274843 400370852 /nfs/dbraw/zinc/37/08/52/400370852.db2.gz PMZDUMOUVZCRLA-IVZVJUQRSA-N 1 1 316.401 3.357 20 5 DGBDMO CC1(C)C[N@H+](C/C=C\c2ccccc2[N+](=O)[O-])C(C)(C)CO1 ZINC000611272338 400370912 /nfs/dbraw/zinc/37/09/12/400370912.db2.gz YNYCSEBBLRCNHK-CLFYSBASSA-N 1 1 304.390 3.497 20 5 DGBDMO CC1(C)C[N@@H+](C/C=C\c2ccccc2[N+](=O)[O-])C(C)(C)CO1 ZINC000611272338 400370915 /nfs/dbraw/zinc/37/09/15/400370915.db2.gz YNYCSEBBLRCNHK-CLFYSBASSA-N 1 1 304.390 3.497 20 5 DGBDMO Cc1ccc([N+](=O)[O-])cc1[C@@H](C)[N@H+]1CCC[C@H](n2ccnc2)C1 ZINC000611516003 400414539 /nfs/dbraw/zinc/41/45/39/400414539.db2.gz YZTQXRBJHYUHIM-ZBFHGGJFSA-N 1 1 314.389 3.498 20 5 DGBDMO C[C@H]1C[N@@H+](CCc2ncc(-c3cccc([N+](=O)[O-])c3)o2)C[C@H]1C ZINC000072873032 400411150 /nfs/dbraw/zinc/41/11/50/400411150.db2.gz FLRCXAOHULHOSQ-BETUJISGSA-N 1 1 315.373 3.380 20 5 DGBDMO O=[N+]([O-])c1ccc(NC[C@@H]2CCC[N@@H+](CC3CC3)C2)c(F)c1 ZINC000596570366 400446568 /nfs/dbraw/zinc/44/65/68/400446568.db2.gz IPWACWGGMJGPEK-ZDUSSCGKSA-N 1 1 307.369 3.268 20 5 DGBDMO Cc1cc(NC[C@H]2CCC[N@@H+](CC3CC3)C2)ccc1[N+](=O)[O-] ZINC000596571264 400447400 /nfs/dbraw/zinc/44/74/00/400447400.db2.gz RRUCVZYXRZVCJP-OAHLLOKOSA-N 1 1 303.406 3.437 20 5 DGBDMO Cc1cc(NC[C@@H]2CCC[N@@H+](CC3CC3)C2)c([N+](=O)[O-])s1 ZINC000596571600 400447498 /nfs/dbraw/zinc/44/74/98/400447498.db2.gz XORUBBPJNWVWQM-ZDUSSCGKSA-N 1 1 309.435 3.499 20 5 DGBDMO CCC(C)(C)[N@@H+](C)CC(=O)Nc1ccc(Cl)cc1[N+](=O)[O-] ZINC000074320173 400504809 /nfs/dbraw/zinc/50/48/09/400504809.db2.gz GDZUEIHNQBWHCE-UHFFFAOYSA-N 1 1 313.785 3.307 20 5 DGBDMO C[C@@H](C(=O)Nc1ccccc1[N+](=O)[O-])[N@H+]1CC[C@H](C2CCC2)C1 ZINC000591061700 400481147 /nfs/dbraw/zinc/48/11/47/400481147.db2.gz DOVVIQZEFDSAJL-JSGCOSHPSA-N 1 1 317.389 3.044 20 5 DGBDMO C[N@H+](CC(=O)Nc1ccccc1[N+](=O)[O-])CC1CCCCC1 ZINC000074158582 400494921 /nfs/dbraw/zinc/49/49/21/400494921.db2.gz MZEMASZCYQCQNB-UHFFFAOYSA-N 1 1 305.378 3.045 20 5 DGBDMO C[N@H+](Cc1ccc(C(F)(F)F)cc1[N+](=O)[O-])[C@@H]1CCCOC1 ZINC000602661707 400528659 /nfs/dbraw/zinc/52/86/59/400528659.db2.gz KFKHPDCPNQWAOR-GFCCVEGCSA-N 1 1 318.295 3.224 20 5 DGBDMO C[N@@H+](Cc1ccc(C(F)(F)F)cc1[N+](=O)[O-])[C@@H]1CCCOC1 ZINC000602661707 400528663 /nfs/dbraw/zinc/52/86/63/400528663.db2.gz KFKHPDCPNQWAOR-GFCCVEGCSA-N 1 1 318.295 3.224 20 5 DGBDMO CC1(CC(F)(F)F)C[NH+](CCc2ccc([N+](=O)[O-])cc2)C1 ZINC000602689475 400539313 /nfs/dbraw/zinc/53/93/13/400539313.db2.gz VGOKXJSMQZVIFO-UHFFFAOYSA-N 1 1 302.296 3.412 20 5 DGBDMO CC[C@@H](CSc1ccccc1[N+](=O)[O-])[NH2+]C[C@@H]1CCCCN1 ZINC000591578079 400541600 /nfs/dbraw/zinc/54/16/00/400541600.db2.gz WFMMNBHJMVUHAO-KBPBESRZSA-N 1 1 323.462 3.197 20 5 DGBDMO Cc1ccncc1[C@@H](C)[NH2+]Cc1nc2cc([N+](=O)[O-])ccc2[nH]1 ZINC000618305182 400565540 /nfs/dbraw/zinc/56/55/40/400565540.db2.gz COYKHNHGBDVJCZ-LLVKDONJSA-N 1 1 311.345 3.025 20 5 DGBDMO Cc1ncc(C[N@H+]2CCC[C@H](c3ccc([N+](=O)[O-])cc3)C2)n1C ZINC000597138250 400569029 /nfs/dbraw/zinc/56/90/29/400569029.db2.gz NOWMAHCLYVJORN-HNNXBMFYSA-N 1 1 314.389 3.016 20 5 DGBDMO C[C@H](c1ccccc1[N+](=O)[O-])N(C)CC[C@@H]1CCCC[N@H+]1C ZINC000075861338 400615341 /nfs/dbraw/zinc/61/53/41/400615341.db2.gz MSOZICYDOJJXBM-CABCVRRESA-N 1 1 305.422 3.462 20 5 DGBDMO Cc1c(C[NH2+][C@@H](CCO)c2ccccc2F)cccc1[N+](=O)[O-] ZINC000592159760 400616595 /nfs/dbraw/zinc/61/65/95/400616595.db2.gz FVIIGOJLLQVYGA-INIZCTEOSA-N 1 1 318.348 3.256 20 5 DGBDMO C[C@H]1CC2(C[N@H+]1Cc1ccc([N+](=O)[O-])cc1F)CCOCC2 ZINC000592182708 400619445 /nfs/dbraw/zinc/61/94/45/400619445.db2.gz PQSDSGJPNUHKGI-LBPRGKRZSA-N 1 1 308.353 3.125 20 5 DGBDMO O=[N+]([O-])c1ccc(-c2ccc(C[N@H+]3CCC4(COC4)C3)o2)cc1 ZINC000597228555 400593226 /nfs/dbraw/zinc/59/32/26/400593226.db2.gz CVVWWXLWQJFGIV-UHFFFAOYSA-N 1 1 314.341 3.077 20 5 DGBDMO O=[N+]([O-])c1cccc(F)c1C[N@H+]1CC[C@H](c2cccnc2)C1 ZINC000592140110 400612359 /nfs/dbraw/zinc/61/23/59/400612359.db2.gz BZEAEBIPNIJMBG-ZDUSSCGKSA-N 1 1 301.321 3.118 20 5 DGBDMO COc1cc(C[N@@H+](C)CC2CC2)c([N+](=O)[O-])cc1OC(F)F ZINC000052128352 400718565 /nfs/dbraw/zinc/71/85/65/400718565.db2.gz VTGHCNYZTHNTGU-UHFFFAOYSA-N 1 1 316.304 3.047 20 5 DGBDMO Cc1ccc([C@H](C)N[C@H]2CC[N@H+](CC3CC3)C2)cc1[N+](=O)[O-] ZINC000157690230 400718807 /nfs/dbraw/zinc/71/88/07/400718807.db2.gz USRHMYBCZQTPBJ-BBRMVZONSA-N 1 1 303.406 3.038 20 5 DGBDMO Cc1ccc([C@H](C)N[C@H]2CC[N@@H+](CC3CC3)C2)cc1[N+](=O)[O-] ZINC000157690230 400718811 /nfs/dbraw/zinc/71/88/11/400718811.db2.gz USRHMYBCZQTPBJ-BBRMVZONSA-N 1 1 303.406 3.038 20 5 DGBDMO Cc1c([C@H](C)N[C@H]2CC[N@H+](CC3CC3)C2)cccc1[N+](=O)[O-] ZINC000157712097 400719960 /nfs/dbraw/zinc/71/99/60/400719960.db2.gz JVZFLSIZQPVQHG-ZFWWWQNUSA-N 1 1 303.406 3.038 20 5 DGBDMO Cc1c([C@H](C)N[C@H]2CC[N@@H+](CC3CC3)C2)cccc1[N+](=O)[O-] ZINC000157712097 400719962 /nfs/dbraw/zinc/71/99/62/400719962.db2.gz JVZFLSIZQPVQHG-ZFWWWQNUSA-N 1 1 303.406 3.038 20 5 DGBDMO O=C(C[NH+]1CCC2(CCCC2)CC1)Nc1ccccc1[N+](=O)[O-] ZINC000158428392 400723933 /nfs/dbraw/zinc/72/39/33/400723933.db2.gz UIWUIYGQHXKTOL-UHFFFAOYSA-N 1 1 317.389 3.190 20 5 DGBDMO COC[C@@H]1CCCC[N@@H+](C/C=C\c2ccccc2[N+](=O)[O-])C1 ZINC000613548310 400746861 /nfs/dbraw/zinc/74/68/61/400746861.db2.gz JHQJXCWZMSMKFV-WUKHSURWSA-N 1 1 304.390 3.357 20 5 DGBDMO CC(C)O[C@@H]1CCC[N@@H+](CCCOc2ccc([N+](=O)[O-])cc2)C1 ZINC000593055908 400747456 /nfs/dbraw/zinc/74/74/56/400747456.db2.gz UHMSOWHXGNDWPV-QGZVFWFLSA-N 1 1 322.405 3.253 20 5 DGBDMO Cc1c(C[NH+]2CCN(c3ccccc3)CC2)cccc1[N+](=O)[O-] ZINC000051129023 400696332 /nfs/dbraw/zinc/69/63/32/400696332.db2.gz HGFZOHOFIBKTPB-UHFFFAOYSA-N 1 1 311.385 3.225 20 5 DGBDMO C[N@@H+](CCOc1ccccc1[N+](=O)[O-])Cc1ccccc1F ZINC000051213470 400697124 /nfs/dbraw/zinc/69/71/24/400697124.db2.gz IGELSSQCYCCMMS-UHFFFAOYSA-N 1 1 304.321 3.245 20 5 DGBDMO CCC(CC)[N@@H+](CC(=O)Nc1ccccc1[N+](=O)[O-])C1CC1 ZINC000165334626 400752752 /nfs/dbraw/zinc/75/27/52/400752752.db2.gz KMNPCJCNKNASJG-UHFFFAOYSA-N 1 1 305.378 3.186 20 5 DGBDMO Cc1cc(N2CC[NH+](Cc3ccsc3)CC2)ccc1[N+](=O)[O-] ZINC000051455172 400702638 /nfs/dbraw/zinc/70/26/38/400702638.db2.gz USPOJZLKOBJUEP-UHFFFAOYSA-N 1 1 317.414 3.287 20 5 DGBDMO O=[N+]([O-])c1cc(F)ccc1N1CCC[N@H+](C2CCCC2)CC1 ZINC000077994938 400760309 /nfs/dbraw/zinc/76/03/09/400760309.db2.gz FHVOLELQOGYWSV-UHFFFAOYSA-N 1 1 307.369 3.189 20 5 DGBDMO C[N@@H+](CCOc1ccccc1F)Cc1cccc([N+](=O)[O-])c1 ZINC000053421772 400783024 /nfs/dbraw/zinc/78/30/24/400783024.db2.gz OFAPHGKBUPRNCC-UHFFFAOYSA-N 1 1 304.321 3.245 20 5 DGBDMO CC1(C)CC[C@@H](CO)[N@H+](Cc2ccc(Cl)cc2[N+](=O)[O-])C1 ZINC000598649325 400850284 /nfs/dbraw/zinc/85/02/84/400850284.db2.gz TZKSBUFPVMCKTP-ZDUSSCGKSA-N 1 1 312.797 3.231 20 5 DGBDMO CC1(C)CC[C@@H](CO)[N@@H+](Cc2ccc(Cl)cc2[N+](=O)[O-])C1 ZINC000598649325 400850287 /nfs/dbraw/zinc/85/02/87/400850287.db2.gz TZKSBUFPVMCKTP-ZDUSSCGKSA-N 1 1 312.797 3.231 20 5 DGBDMO COc1cc([N+](=O)[O-])ccc1C[NH2+][C@@H](C)c1cnccc1C ZINC000619532004 400863281 /nfs/dbraw/zinc/86/32/81/400863281.db2.gz UHGPBIUTJNSHAB-LBPRGKRZSA-N 1 1 301.346 3.158 20 5 DGBDMO Cc1ccc(C[N@H+]2CCOCC3(CCCC3)C2)cc1[N+](=O)[O-] ZINC000614253508 400864328 /nfs/dbraw/zinc/86/43/28/400864328.db2.gz BTWDMDDMBNWGMV-UHFFFAOYSA-N 1 1 304.390 3.296 20 5 DGBDMO C[C@@H]1C[C@H](C)C[N@H+](CCCCNc2ncccc2[N+](=O)[O-])C1 ZINC000079927307 400907388 /nfs/dbraw/zinc/90/73/88/400907388.db2.gz LIKNUSDRCJUJQG-OKILXGFUSA-N 1 1 306.410 3.160 20 5 DGBDMO C[N@H+](CCc1cccc([N+](=O)[O-])c1)Cc1nc2c(s1)CCC2 ZINC000619847388 400910068 /nfs/dbraw/zinc/91/00/68/400910068.db2.gz WNYRSNRLZITHOT-UHFFFAOYSA-N 1 1 317.414 3.215 20 5 DGBDMO C[N@@H+](CCc1cccc([N+](=O)[O-])c1)Cc1nc2c(s1)CCC2 ZINC000619847388 400910073 /nfs/dbraw/zinc/91/00/73/400910073.db2.gz WNYRSNRLZITHOT-UHFFFAOYSA-N 1 1 317.414 3.215 20 5 DGBDMO Cc1cc([N+](=O)[O-])ccc1CNC[C@H]1CC[N@@H+]1C1CCCC1 ZINC000598997449 400924016 /nfs/dbraw/zinc/92/40/16/400924016.db2.gz BOLHVBRTHHNINT-QGZVFWFLSA-N 1 1 303.406 3.010 20 5 DGBDMO Cc1cc([N+](=O)[O-])ccc1CNC[C@H]1CC[N@H+]1C1CCCC1 ZINC000598997449 400924022 /nfs/dbraw/zinc/92/40/22/400924022.db2.gz BOLHVBRTHHNINT-QGZVFWFLSA-N 1 1 303.406 3.010 20 5 DGBDMO C[C@@H]([NH2+][C@@H](CO)c1cccc(F)c1)c1cccc([N+](=O)[O-])c1 ZINC000358157534 285985863 /nfs/dbraw/zinc/98/58/63/285985863.db2.gz MJJLNKVTUFRJTA-BZNIZROVSA-N 1 1 304.321 3.118 20 5 DGBDMO COc1ccc([C@H]([NH2+]Cc2csc([N+](=O)[O-])c2)C2CC2)cn1 ZINC000599020064 400928694 /nfs/dbraw/zinc/92/86/94/400928694.db2.gz MXHUPOVGZOCJHJ-OAHLLOKOSA-N 1 1 319.386 3.301 20 5 DGBDMO COc1cc(NC[C@H]2CC[N@H+]2C2CCCC2)c(F)cc1[N+](=O)[O-] ZINC000599164722 400982547 /nfs/dbraw/zinc/98/25/47/400982547.db2.gz KIXGLQVTFZFUEX-GFCCVEGCSA-N 1 1 323.368 3.171 20 5 DGBDMO C[C@@H]1C[N@@H+](Cc2ccc([N+](=O)[O-])cc2F)C[C@H](C)C1(F)F ZINC000599513367 401064099 /nfs/dbraw/zinc/06/40/99/401064099.db2.gz SSDWBFAFZWFGRS-AOOOYVTPSA-N 1 1 302.296 3.457 20 5 DGBDMO C[C@@H]1C[N@H+](Cc2ccc([N+](=O)[O-])cc2F)C[C@H](C)C1(F)F ZINC000599513367 401064104 /nfs/dbraw/zinc/06/41/04/401064104.db2.gz SSDWBFAFZWFGRS-AOOOYVTPSA-N 1 1 302.296 3.457 20 5 DGBDMO O=[N+]([O-])c1ccc(OCCC[N@H+]2Cc3ccc(O)cc3C2)cc1 ZINC000599536895 401071222 /nfs/dbraw/zinc/07/12/22/401071222.db2.gz WIGCAUPBTQXPMI-UHFFFAOYSA-N 1 1 314.341 3.085 20 5 DGBDMO O=[N+]([O-])c1ccc(OCCC[N@@H+]2Cc3ccc(O)cc3C2)cc1 ZINC000599536895 401071230 /nfs/dbraw/zinc/07/12/30/401071230.db2.gz WIGCAUPBTQXPMI-UHFFFAOYSA-N 1 1 314.341 3.085 20 5 DGBDMO CCO[C@H](C[N@@H+](Cc1ccccc1[N+](=O)[O-])C1CC1)C1CC1 ZINC000599333876 401025104 /nfs/dbraw/zinc/02/51/04/401025104.db2.gz AZUYBCWSJPBXSS-QGZVFWFLSA-N 1 1 304.390 3.374 20 5 DGBDMO C[N@@H+](CCOc1cccc([N+](=O)[O-])c1)Cc1ccccc1F ZINC000058932741 401082344 /nfs/dbraw/zinc/08/23/44/401082344.db2.gz LWXCVLCGKXKONK-UHFFFAOYSA-N 1 1 304.321 3.245 20 5 DGBDMO C[C@H](C(=O)Nc1cccc([N+](=O)[O-])c1)[N@H+]1CCCC2(CC2)CC1 ZINC000599673790 401108509 /nfs/dbraw/zinc/10/85/09/401108509.db2.gz ZBQPAEADELEIAU-CYBMUJFWSA-N 1 1 317.389 3.188 20 5 DGBDMO O=[N+]([O-])c1ccc(CC[N@H+]2CC[C@@H](Nc3ccccc3)C2)cc1 ZINC000060369942 401110786 /nfs/dbraw/zinc/11/07/86/401110786.db2.gz JTYLVORXZXTBGE-QGZVFWFLSA-N 1 1 311.385 3.324 20 5 DGBDMO C[C@@H]1C[NH+](Cc2nc3cc([N+](=O)[O-])ccc3o2)C[C@@H](C)S1 ZINC000083213910 401114552 /nfs/dbraw/zinc/11/45/52/401114552.db2.gz YPPQOOWPUPHLEQ-NXEZZACHSA-N 1 1 307.375 3.062 20 5 DGBDMO O=[N+]([O-])c1cnc(N[C@@H]2CCC[N@H+]3CCCC[C@H]23)c(Cl)c1 ZINC000594598797 401123888 /nfs/dbraw/zinc/12/38/88/401123888.db2.gz HYGUITHLQQKKFY-CHWSQXEVSA-N 1 1 310.785 3.072 20 5 DGBDMO CCOc1cc(N[C@H]2CCC[N@H+]3CCCC[C@H]23)ccc1[N+](=O)[O-] ZINC000594600013 401125843 /nfs/dbraw/zinc/12/58/43/401125843.db2.gz LBNBCUGBBONJEM-LSDHHAIUSA-N 1 1 319.405 3.422 20 5 DGBDMO COCc1cc([N+](=O)[O-])ccc1N[C@H]1CCC[N@H+]2CCCC[C@H]12 ZINC000594603335 401127082 /nfs/dbraw/zinc/12/70/82/401127082.db2.gz UHZGFPZGZAXXFB-DLBZAZTESA-N 1 1 319.405 3.170 20 5 DGBDMO COc1cc(N[C@@H]2CCC[N@H+]3CCCC[C@H]23)c(F)cc1[N+](=O)[O-] ZINC000594601891 401127342 /nfs/dbraw/zinc/12/73/42/401127342.db2.gz PJEAWTDARIKTGQ-TZMCWYRMSA-N 1 1 323.368 3.171 20 5 DGBDMO C/C(=C\c1cccc([N+](=O)[O-])c1)CN[C@H]1CC[N@H+](CC2CC2)C1 ZINC000615724271 401143985 /nfs/dbraw/zinc/14/39/85/401143985.db2.gz WPKAIMXUDWBJEF-ZGUWOUCSSA-N 1 1 315.417 3.072 20 5 DGBDMO C/C(=C\c1cccc([N+](=O)[O-])c1)CN[C@H]1CC[N@@H+](CC2CC2)C1 ZINC000615724271 401143991 /nfs/dbraw/zinc/14/39/91/401143991.db2.gz WPKAIMXUDWBJEF-ZGUWOUCSSA-N 1 1 315.417 3.072 20 5 DGBDMO CCC1CCC([N@@H+](CCn2ccc([N+](=O)[O-])n2)C2CC2)CC1 ZINC000358260169 286013702 /nfs/dbraw/zinc/01/37/02/286013702.db2.gz CDCWIQZNALKSQH-UHFFFAOYSA-N 1 1 306.410 3.225 20 5 DGBDMO CC[C@H](C)[N@@H+](CCO)Cc1ccc(-c2ccccc2[N+](=O)[O-])o1 ZINC000600168201 401205393 /nfs/dbraw/zinc/20/53/93/401205393.db2.gz GWPPBMJABMSAPT-ZDUSSCGKSA-N 1 1 318.373 3.448 20 5 DGBDMO O=[N+]([O-])c1cccc(CN[C@H]2CC[N@H+](C3CCCCC3)C2)c1 ZINC000594977266 401216458 /nfs/dbraw/zinc/21/64/58/401216458.db2.gz ITNDPQCMKOAXOK-HNNXBMFYSA-N 1 1 303.406 3.091 20 5 DGBDMO O=[N+]([O-])c1cccc(C[NH2+][C@H]2CCN(C3CCCCC3)C2)c1 ZINC000594977266 401216460 /nfs/dbraw/zinc/21/64/60/401216460.db2.gz ITNDPQCMKOAXOK-HNNXBMFYSA-N 1 1 303.406 3.091 20 5 DGBDMO O=[N+]([O-])c1ccccc1CN[C@H]1CC[N@H+](C2CCCCC2)C1 ZINC000594977319 401216612 /nfs/dbraw/zinc/21/66/12/401216612.db2.gz KBHBOIUHBTZYQV-HNNXBMFYSA-N 1 1 303.406 3.091 20 5 DGBDMO CC[C@@H](O)[C@H]1CCCC[N@H+]1Cc1ccc([N+](=O)[O-])cc1Cl ZINC000182182848 164931839 /nfs/dbraw/zinc/93/18/39/164931839.db2.gz OIOFAYZYUZDPFP-HUUCEWRRSA-N 1 1 312.797 3.374 20 5 DGBDMO CC[C@@H]1[C@@H](C)CC[N@H+]1CCC(=O)Nc1cccc([N+](=O)[O-])c1C ZINC000185653087 165011206 /nfs/dbraw/zinc/01/12/06/165011206.db2.gz SLLBQBYFTLBIMZ-SWLSCSKDSA-N 1 1 319.405 3.352 20 5 DGBDMO O=[N+]([O-])c1ccc(-c2noc(C[N@@H+]3CCCC4(CC4)C3)n2)cc1 ZINC000186998866 165071631 /nfs/dbraw/zinc/07/16/31/165071631.db2.gz CHMOBRUVCQLYBY-UHFFFAOYSA-N 1 1 314.345 3.021 20 5 DGBDMO O=[N+]([O-])c1ccc(-c2noc(C[N@H+]3CCCC4(CC4)C3)n2)cc1 ZINC000186998866 165071634 /nfs/dbraw/zinc/07/16/34/165071634.db2.gz CHMOBRUVCQLYBY-UHFFFAOYSA-N 1 1 314.345 3.021 20 5 DGBDMO CC(C)Oc1ccc([N+](=O)[O-])cc1C[N@H+]1CCC[C@H]1C(C)(C)O ZINC000136246925 432150870 /nfs/dbraw/zinc/15/08/70/432150870.db2.gz CCVSFJGXUHUOHG-INIZCTEOSA-N 1 1 322.405 3.117 20 5 DGBDMO C[C@@H]1CCC[N@@H+](Cc2nc(-c3ccc([N+](=O)[O-])cc3)no2)[C@H]1C ZINC000246667575 432154130 /nfs/dbraw/zinc/15/41/30/432154130.db2.gz JGLAHVJWYZKMHZ-NEPJUHHUSA-N 1 1 316.361 3.265 20 5 DGBDMO C[C@@H]1CCC[N@@H+](Cc2nnc(-c3ccc([N+](=O)[O-])cc3)o2)[C@H]1C ZINC000246947280 432183587 /nfs/dbraw/zinc/18/35/87/432183587.db2.gz QZWUJVGIROXAEE-NEPJUHHUSA-N 1 1 316.361 3.265 20 5 DGBDMO O=[N+]([O-])c1cccc([C@@H](O)C[N@H+]2CCC[C@@H]2c2ccccc2)c1 ZINC000269687150 432197764 /nfs/dbraw/zinc/19/77/64/432197764.db2.gz SXSHSGUAKRZKKY-MSOLQXFVSA-N 1 1 312.369 3.465 20 5 DGBDMO Cc1cc(C2CC[NH+](CCc3ccc([N+](=O)[O-])cc3)CC2)n[nH]1 ZINC000271630705 209074704 /nfs/dbraw/zinc/07/47/04/209074704.db2.gz PBMWFDXYWYTRQL-UHFFFAOYSA-N 1 1 314.389 3.048 20 5 DGBDMO Cc1n[nH]c(C)c1[C@H]1CCC[N@H+]1Cc1cccc([N+](=O)[O-])c1 ZINC000130558124 196090328 /nfs/dbraw/zinc/09/03/28/196090328.db2.gz JJJIXXOLZZXXRR-OAHLLOKOSA-N 1 1 300.362 3.272 20 5 DGBDMO C[C@@H](O)C[N@@H+](C)Cc1ccc(-c2ccc([N+](=O)[O-])cc2)s1 ZINC000130676912 196101084 /nfs/dbraw/zinc/10/10/84/196101084.db2.gz YHMHXIMQCSIEQH-LLVKDONJSA-N 1 1 306.387 3.136 20 5 DGBDMO CC(C)(C)[N@@H+](CCn1ccc([N+](=O)[O-])n1)Cc1ccc(F)cc1 ZINC000132822903 196286988 /nfs/dbraw/zinc/28/69/88/196286988.db2.gz SIGUAIOVQBPEDQ-UHFFFAOYSA-N 1 1 320.368 3.231 20 5 DGBDMO C[C@H]1C[C@H](Nc2nccc3ccc([N+](=O)[O-])cc32)CC[N@H+]1C ZINC000413155926 230141389 /nfs/dbraw/zinc/14/13/89/230141389.db2.gz DGLSXEGIYUEDBE-WCQYABFASA-N 1 1 300.362 3.038 20 5 DGBDMO CCc1ccc([C@@H]([NH2+][C@H]2CCOC2)c2ccc([N+](=O)[O-])cc2)o1 ZINC000346618275 264066864 /nfs/dbraw/zinc/06/68/64/264066864.db2.gz FLOPWKBRDLDFSB-GUYCJALGSA-N 1 1 316.357 3.218 20 5 DGBDMO C[C@H]([NH3+])[C@H]1CCN(Cc2ccc(-c3ccccc3[N+](=O)[O-])o2)C1 ZINC000346665667 264076761 /nfs/dbraw/zinc/07/67/61/264076761.db2.gz DGDVSDZDPSOOOE-STQMWFEESA-N 1 1 315.373 3.024 20 5 DGBDMO C[C@H]([NH3+])[C@@H]1CCN(Cc2ccc(-c3ccc([N+](=O)[O-])cc3)o2)C1 ZINC000346692952 264080424 /nfs/dbraw/zinc/08/04/24/264080424.db2.gz KACPPNIGXFBDAO-GXTWGEPZSA-N 1 1 315.373 3.024 20 5 DGBDMO C[C@H]1C[C@H](C[NH3+])CN1Cc1ccc(-c2cccc([N+](=O)[O-])c2)o1 ZINC000346693036 264080454 /nfs/dbraw/zinc/08/04/54/264080454.db2.gz KMGIFNUEYPWQTO-QWHCGFSZSA-N 1 1 315.373 3.024 20 5 DGBDMO C[C@@H]1C[C@H](C[NH3+])CN1Cc1ccc(-c2cccc([N+](=O)[O-])c2)o1 ZINC000346693034 264080577 /nfs/dbraw/zinc/08/05/77/264080577.db2.gz KMGIFNUEYPWQTO-CHWSQXEVSA-N 1 1 315.373 3.024 20 5 DGBDMO COc1ccc([N+](=O)[O-])cc1C[N@@H+]1CCC[C@@H]1c1cccnc1 ZINC000346977017 264132159 /nfs/dbraw/zinc/13/21/59/264132159.db2.gz HQCGRILOSGEXQT-MRXNPFEDSA-N 1 1 313.357 3.336 20 5 DGBDMO COc1ccc([N+](=O)[O-])cc1C[N@H+]1CCC[C@@H]1c1cccnc1 ZINC000346977017 264132161 /nfs/dbraw/zinc/13/21/61/264132161.db2.gz HQCGRILOSGEXQT-MRXNPFEDSA-N 1 1 313.357 3.336 20 5 DGBDMO COc1ccc(C[N@@H+]2CCC[C@H]2c2cccnc2)cc1[N+](=O)[O-] ZINC000346983930 264133447 /nfs/dbraw/zinc/13/34/47/264133447.db2.gz NVRHXWZYYFWJAX-HNNXBMFYSA-N 1 1 313.357 3.336 20 5 DGBDMO COc1ccc(C[N@H+]2CCC[C@H]2c2cccnc2)cc1[N+](=O)[O-] ZINC000346983930 264133449 /nfs/dbraw/zinc/13/34/49/264133449.db2.gz NVRHXWZYYFWJAX-HNNXBMFYSA-N 1 1 313.357 3.336 20 5 DGBDMO [NH3+]C[C@H]1CCCN(Cc2ccc(-c3cccc([N+](=O)[O-])c3)o2)C1 ZINC000347113227 264158912 /nfs/dbraw/zinc/15/89/12/264158912.db2.gz QZPMPJGLYFBQCK-CYBMUJFWSA-N 1 1 315.373 3.026 20 5 DGBDMO O=[N+]([O-])c1cccc(OCC[N@@H+]2CCc3cccc(F)c3C2)c1 ZINC000347953853 264313247 /nfs/dbraw/zinc/31/32/47/264313247.db2.gz GOMWKGOPASLVGO-UHFFFAOYSA-N 1 1 316.332 3.171 20 5 DGBDMO O=[N+]([O-])c1cccc(OCC[N@H+]2CCc3cccc(F)c3C2)c1 ZINC000347953853 264313248 /nfs/dbraw/zinc/31/32/48/264313248.db2.gz GOMWKGOPASLVGO-UHFFFAOYSA-N 1 1 316.332 3.171 20 5 DGBDMO COc1ccc([N+](=O)[O-])cc1C[N@@H+]1CC[C@H](C(F)(F)F)[C@@H]1C ZINC000348246607 264373593 /nfs/dbraw/zinc/37/35/93/264373593.db2.gz RGWKNMLEBLWFDV-CABZTGNLSA-N 1 1 318.295 3.376 20 5 DGBDMO COc1ccc([N+](=O)[O-])cc1C[N@H+]1CC[C@H](C(F)(F)F)[C@@H]1C ZINC000348246607 264373594 /nfs/dbraw/zinc/37/35/94/264373594.db2.gz RGWKNMLEBLWFDV-CABZTGNLSA-N 1 1 318.295 3.376 20 5 DGBDMO CCOc1ccc([C@@H](C)NCCC[N@@H+](C)C(C)C)cc1[N+](=O)[O-] ZINC000349245972 264502987 /nfs/dbraw/zinc/50/29/87/264502987.db2.gz JDAZABBMOJCBNX-CQSZACIVSA-N 1 1 323.437 3.374 20 5 DGBDMO Cc1cc(C)c([N+](=O)[O-])cc1NC(=O)N[C@@H](C)C[N@H+](C)C(C)C ZINC000350457978 264620319 /nfs/dbraw/zinc/62/03/19/264620319.db2.gz JAJLARDJNGTEMD-ZDUSSCGKSA-N 1 1 322.409 3.062 20 5 DGBDMO CC(C)[C@H](c1ccccc1)[N@H+](C)Cc1c([N+](=O)[O-])ncn1C ZINC000355344751 266046301 /nfs/dbraw/zinc/04/63/01/266046301.db2.gz QEJXQSULDJDVEN-OAHLLOKOSA-N 1 1 302.378 3.157 20 5 DGBDMO CC(C)[C@H](c1ccccc1)[N@@H+](C)Cc1c([N+](=O)[O-])ncn1C ZINC000355344751 266046304 /nfs/dbraw/zinc/04/63/04/266046304.db2.gz QEJXQSULDJDVEN-OAHLLOKOSA-N 1 1 302.378 3.157 20 5 DGBDMO C[N@@H+](Cc1cc([N+](=O)[O-])cc2c1OCOC2)[C@H]1CCC(C)(C)C1 ZINC000355583567 266122381 /nfs/dbraw/zinc/12/23/81/266122381.db2.gz NLWKQXHBKHNTLZ-AWEZNQCLSA-N 1 1 320.389 3.472 20 5 DGBDMO C[C@@H]1CC[C@@H]([N@H+](C/C=C/c2ccccc2[N+](=O)[O-])CCO)C1 ZINC000356359939 266366181 /nfs/dbraw/zinc/36/61/81/266366181.db2.gz HUOGQXCCFILLLD-UKWDMRDTSA-N 1 1 304.390 3.091 20 5 DGBDMO C[C@@H]1CCCC[C@H]1[N@@H+](C)Cc1cc([N+](=O)[O-])cc2c1OCOC2 ZINC000192624804 274287363 /nfs/dbraw/zinc/28/73/63/274287363.db2.gz GMKNFFBMVXXKHB-MLGOLLRUSA-N 1 1 320.389 3.472 20 5 DGBDMO C[N@H+]1CCC[C@H]2CN(Cc3ccc(Cl)cc3[N+](=O)[O-])CC[C@H]21 ZINC000247983792 432258790 /nfs/dbraw/zinc/25/87/90/432258790.db2.gz IPYBFIVIMJFHHI-SWLSCSKDSA-N 1 1 323.824 3.164 20 5 DGBDMO O=[N+]([O-])c1ccc(C[N@H+]2CCC[C@H]3CCC[C@@H]32)c([N+](=O)[O-])c1 ZINC000193800045 275035390 /nfs/dbraw/zinc/03/53/90/275035390.db2.gz ISNNNAIDJJRCBA-RISCZKNCSA-N 1 1 305.334 3.268 20 5 DGBDMO O=[N+]([O-])c1ccc2c(c1)[C@@H]([NH2+]Cc1cn3ccccc3n1)CCC2 ZINC000278209355 275037821 /nfs/dbraw/zinc/03/78/21/275037821.db2.gz HQLNSHPVZFJOCC-KRWDZBQOSA-N 1 1 322.368 3.410 20 5 DGBDMO CCC[N@H+](CC)C[C@@H](C)N[C@@H](C)Cc1ccccc1[N+](=O)[O-] ZINC000449337289 276251306 /nfs/dbraw/zinc/25/13/06/276251306.db2.gz PIGHKEJIWOWOEL-LSDHHAIUSA-N 1 1 307.438 3.236 20 5 DGBDMO CCC[N@@H+](CC)C[C@@H](C)N[C@@H](C)Cc1ccccc1[N+](=O)[O-] ZINC000449337289 276251308 /nfs/dbraw/zinc/25/13/08/276251308.db2.gz PIGHKEJIWOWOEL-LSDHHAIUSA-N 1 1 307.438 3.236 20 5 DGBDMO CC[N@H+]1C[C@H](C)N(c2nccc3cc([N+](=O)[O-])ccc32)C[C@@H]1C ZINC000450411868 276251519 /nfs/dbraw/zinc/25/15/19/276251519.db2.gz OGYUJIIBPUULBU-STQMWFEESA-N 1 1 314.389 3.062 20 5 DGBDMO CCCO[C@H]1CCC[N@@H+](CCOc2ccccc2[N+](=O)[O-])CC1 ZINC000108395955 431138125 /nfs/dbraw/zinc/13/81/25/431138125.db2.gz SAKNCQMMXZDESI-HNNXBMFYSA-N 1 1 322.405 3.255 20 5 DGBDMO C[C@@H]1CCC[N@@H+](CCC(=O)Nc2ccccc2[N+](=O)[O-])CC1 ZINC000068838189 431144641 /nfs/dbraw/zinc/14/46/41/431144641.db2.gz UJTYRDRZUGVIBO-CYBMUJFWSA-N 1 1 305.378 3.045 20 5 DGBDMO CCC[C@@]1(C)CCC[N@@H+](Cc2ccc(C(N)=O)cc2[N+](=O)[O-])C1 ZINC000072896162 431354121 /nfs/dbraw/zinc/35/41/21/431354121.db2.gz XSHVHSQSVAIRLN-KRWDZBQOSA-N 1 1 319.405 3.096 20 5 DGBDMO O=[N+]([O-])c1cccc(C[N@H+](CCO)[C@@H]2CCc3ccccc32)c1 ZINC000114467784 431389860 /nfs/dbraw/zinc/38/98/60/431389860.db2.gz YLUXODMMXYKEPC-GOSISDBHSA-N 1 1 312.369 3.077 20 5 DGBDMO CCC[N@H+](Cc1nc(-c2ccc([N+](=O)[O-])cc2)no1)CC1CC1 ZINC000114724045 431406521 /nfs/dbraw/zinc/40/65/21/431406521.db2.gz AWBQBSZLNXQTBW-UHFFFAOYSA-N 1 1 316.361 3.267 20 5 DGBDMO CC[C@H](O)[C@@H]1CCCC[N@H+]1Cc1ccc(Cl)cc1[N+](=O)[O-] ZINC000116280287 431501118 /nfs/dbraw/zinc/50/11/18/431501118.db2.gz QRKUXKCYNUUVDF-ZFWWWQNUSA-N 1 1 312.797 3.374 20 5 DGBDMO CCC(CC)[N@@H+](CCOC)Cc1ccc(OC)c([N+](=O)[O-])c1 ZINC000077377756 431591220 /nfs/dbraw/zinc/59/12/20/431591220.db2.gz HCHHSHXNGVAUSO-UHFFFAOYSA-N 1 1 310.394 3.240 20 5 DGBDMO CC(C)Oc1ccc([N+](=O)[O-])cc1C[N@@H+](CCCCO)C1CC1 ZINC000118844233 431622148 /nfs/dbraw/zinc/62/21/48/431622148.db2.gz WMNFPSGTPUUMHJ-UHFFFAOYSA-N 1 1 322.405 3.119 20 5 DGBDMO CCCC[N@@H+](CC)CC(=O)Nc1ccc([N+](=O)[O-])cc1Cl ZINC000027272373 431687786 /nfs/dbraw/zinc/68/77/86/431687786.db2.gz SCNODWNUAGBKQH-UHFFFAOYSA-N 1 1 313.785 3.309 20 5 DGBDMO CC(C)C[C@H]1CC[N@H+]([C@@H](C)C(=O)Nc2ccccc2[N+](=O)[O-])C1 ZINC000080746447 431776457 /nfs/dbraw/zinc/77/64/57/431776457.db2.gz MAYYXNFPFDTYKU-UONOGXRCSA-N 1 1 319.405 3.290 20 5 DGBDMO C[NH+](C)[C@@H](CNCc1csc([N+](=O)[O-])c1)c1ccccc1 ZINC000037562537 431847607 /nfs/dbraw/zinc/84/76/07/431847607.db2.gz OUXGYUOXNCLRMN-AWEZNQCLSA-N 1 1 305.403 3.049 20 5 DGBDMO C[C@@H]1C[N@H+](Cc2ccc(-c3cccc([N+](=O)[O-])c3)o2)[C@H](C)CO1 ZINC000122601562 431839556 /nfs/dbraw/zinc/83/95/56/431839556.db2.gz IUWVHTSIBAIYEF-CHWSQXEVSA-N 1 1 316.357 3.464 20 5 DGBDMO C[C@@H]1C[N@@H+](Cc2ccc(-c3cccc([N+](=O)[O-])c3)o2)[C@H](C)CO1 ZINC000122601562 431839558 /nfs/dbraw/zinc/83/95/58/431839558.db2.gz IUWVHTSIBAIYEF-CHWSQXEVSA-N 1 1 316.357 3.464 20 5 DGBDMO Cc1ccc([C@H](C)NC[C@H]2CC[N@@H+](C3CC3)C2)cc1[N+](=O)[O-] ZINC000124362617 431892242 /nfs/dbraw/zinc/89/22/42/431892242.db2.gz LPVRNZOOMZMZJX-UONOGXRCSA-N 1 1 303.406 3.038 20 5 DGBDMO Cc1ccc([C@H](C)NC[C@H]2CC[N@H+](C3CC3)C2)cc1[N+](=O)[O-] ZINC000124362617 431892246 /nfs/dbraw/zinc/89/22/46/431892246.db2.gz LPVRNZOOMZMZJX-UONOGXRCSA-N 1 1 303.406 3.038 20 5 DGBDMO C[C@@]1(O)CCC[N@@H+](Cc2cc(=O)oc3ccc4ccccc4c23)C1 ZINC000124760406 431903595 /nfs/dbraw/zinc/90/35/95/431903595.db2.gz NBNGWYQOIVFGMK-HXUWFJFHSA-N 1 1 323.392 3.293 20 5 DGBDMO COc1ccc(C[N@@H+](C)Cc2ccc(OC)c([N+](=O)[O-])c2)cc1 ZINC000051316130 431951173 /nfs/dbraw/zinc/95/11/73/431951173.db2.gz LXBUGTTWFATMCI-UHFFFAOYSA-N 1 1 316.357 3.244 20 5 DGBDMO Cc1ccc([N+](=O)[O-])cc1[C@H](C)[N@H+]1CCC2(C1)CCOCC2 ZINC000272335191 281021139 /nfs/dbraw/zinc/02/11/39/281021139.db2.gz NLIQBIFREWFPTB-AWEZNQCLSA-N 1 1 304.390 3.467 20 5 DGBDMO C[C@H](c1ccccn1)[N@@H+](C)CCOc1ccccc1[N+](=O)[O-] ZINC000127984908 431985172 /nfs/dbraw/zinc/98/51/72/431985172.db2.gz WEIALMGCYAOANQ-CYBMUJFWSA-N 1 1 301.346 3.062 20 5 DGBDMO C[N@@H+](CCOc1ccc(F)cc1)Cc1ccc([N+](=O)[O-])cc1 ZINC000248070550 432266038 /nfs/dbraw/zinc/26/60/38/432266038.db2.gz SHCBKBJVTODLHM-UHFFFAOYSA-N 1 1 304.321 3.245 20 5 DGBDMO CC[C@H](CN[C@@H](C)c1cc([N+](=O)[O-])ccc1C)[NH+]1CCCC1 ZINC000151686573 432267208 /nfs/dbraw/zinc/26/72/08/432267208.db2.gz AYAXTBXKZNGBMY-LSDHHAIUSA-N 1 1 305.422 3.428 20 5 DGBDMO CC[N@H+](CCOC)Cc1csc(-c2cccc([N+](=O)[O-])c2)n1 ZINC000271045215 432320112 /nfs/dbraw/zinc/32/01/12/432320112.db2.gz LLOGQSJAVDFCTJ-UHFFFAOYSA-N 1 1 321.402 3.187 20 5 DGBDMO CC[N@@H+](CCOC)Cc1csc(-c2cccc([N+](=O)[O-])c2)n1 ZINC000271045215 432320118 /nfs/dbraw/zinc/32/01/18/432320118.db2.gz LLOGQSJAVDFCTJ-UHFFFAOYSA-N 1 1 321.402 3.187 20 5 DGBDMO CC(C)[C@@H](C)[N@@H+](C)Cc1cn(C)nc1-c1ccc([N+](=O)[O-])cc1 ZINC000271048051 432321363 /nfs/dbraw/zinc/32/13/63/432321363.db2.gz NKJBQWPDBYSKTE-CYBMUJFWSA-N 1 1 316.405 3.472 20 5 DGBDMO CC[C@@H]1CCC[N@H+]([C@H](C)C(=O)Nc2cccc([N+](=O)[O-])c2C)C1 ZINC000248899439 432327499 /nfs/dbraw/zinc/32/74/99/432327499.db2.gz PIEYCNWWGWLZIQ-ZIAGYGMSSA-N 1 1 319.405 3.352 20 5 DGBDMO CCOc1ccc([N+](=O)[O-])cc1C[N@H+]1CCS[C@H](C)CC1 ZINC000192184100 432342796 /nfs/dbraw/zinc/34/27/96/432342796.db2.gz KNDIOTLZYTXZSO-GFCCVEGCSA-N 1 1 310.419 3.321 20 5 DGBDMO O=[N+]([O-])c1cc(Cl)ccc1C[N@H+]1CC[C@@H]2OCCC[C@@H]2C1 ZINC000152751325 432352045 /nfs/dbraw/zinc/35/20/45/432352045.db2.gz PAVFIQWESXXNSX-DOMZBBRYSA-N 1 1 310.781 3.249 20 5 DGBDMO CC[N@@H+](CCO)Cc1ccc(-c2ccccc2[N+](=O)[O-])s1 ZINC000270988333 432310423 /nfs/dbraw/zinc/31/04/23/432310423.db2.gz GSDWVGFDNFRJJZ-UHFFFAOYSA-N 1 1 306.387 3.138 20 5 DGBDMO CC[C@H]1C[N@@H+](Cc2ccc(-c3ccc([N+](=O)[O-])cc3)o2)C[C@H]1O ZINC000271332189 432375888 /nfs/dbraw/zinc/37/58/88/432375888.db2.gz NDOIQPLCYYJKSP-BLLLJJGKSA-N 1 1 316.357 3.058 20 5 DGBDMO C[C@@H]1C[C@H](c2ccccc2F)[N@@H+](CCn2cc([N+](=O)[O-])cn2)C1 ZINC000174878226 432376409 /nfs/dbraw/zinc/37/64/09/432376409.db2.gz ATFGGHQBXOGDNK-MLGOLLRUSA-N 1 1 318.352 3.014 20 5 DGBDMO C[N@@H+](CCc1ccccn1)Cc1ccc(Cl)c([N+](=O)[O-])c1 ZINC000153094255 432383388 /nfs/dbraw/zinc/38/33/88/432383388.db2.gz ZXLQSCDZORNRDV-UHFFFAOYSA-N 1 1 305.765 3.318 20 5 DGBDMO C[C@@H]1CC[N@@H+](C[C@H](O)c2cccc([N+](=O)[O-])c2)CC12CCC2 ZINC000271406858 432388481 /nfs/dbraw/zinc/38/84/81/432388481.db2.gz YDKMUWVOWYTWNK-CJNGLKHVSA-N 1 1 304.390 3.140 20 5 DGBDMO COc1ccc(C[N@H+](Cc2cccc([N+](=O)[O-])c2)C2CC2)cn1 ZINC000153224358 432393699 /nfs/dbraw/zinc/39/36/99/432393699.db2.gz OVEYTZTWMRVPSY-UHFFFAOYSA-N 1 1 313.357 3.163 20 5 DGBDMO COc1ccc(C[N@@H+](Cc2cccc([N+](=O)[O-])c2)C2CC2)cn1 ZINC000153224358 432393702 /nfs/dbraw/zinc/39/37/02/432393702.db2.gz OVEYTZTWMRVPSY-UHFFFAOYSA-N 1 1 313.357 3.163 20 5 DGBDMO C[C@H]1CCCC[C@H]1[N@@H+](C)Cc1cc([N+](=O)[O-])cc2c1OCOC2 ZINC000192624819 432395176 /nfs/dbraw/zinc/39/51/76/432395176.db2.gz GMKNFFBMVXXKHB-BLLLJJGKSA-N 1 1 320.389 3.472 20 5 DGBDMO C[NH+](C)[C@@H]1CCC[C@H](N[C@@H]2CCCc3ccc([N+](=O)[O-])cc32)C1 ZINC000192932801 432429874 /nfs/dbraw/zinc/42/98/74/432429874.db2.gz LFZVMUDPNBYCSS-HDMKZQKVSA-N 1 1 317.433 3.435 20 5 DGBDMO C[C@]1(C[NH3+])CCN(Cc2ccc(-c3cccc([N+](=O)[O-])c3)o2)C1 ZINC000261609928 432433826 /nfs/dbraw/zinc/43/38/26/432433826.db2.gz BUWNJOAISCJANF-QGZVFWFLSA-N 1 1 315.373 3.026 20 5 DGBDMO O=[N+]([O-])c1cc(C[NH+]2CCC(n3cccn3)CC2)ccc1Cl ZINC000153885727 432452718 /nfs/dbraw/zinc/45/27/18/432452718.db2.gz JJOBTLHBDIAKTR-UHFFFAOYSA-N 1 1 320.780 3.282 20 5 DGBDMO CC[C@@H]([NH2+][C@@H]1CCCc2c[nH]nc21)c1cccc([N+](=O)[O-])c1 ZINC000271495411 432408306 /nfs/dbraw/zinc/40/83/06/432408306.db2.gz LBVZDKSKRNOZFD-HUUCEWRRSA-N 1 1 300.362 3.436 20 5 DGBDMO COC[C@H]([NH2+]C/C=C\c1ccccc1[N+](=O)[O-])c1ccc(C)o1 ZINC000255572269 432411230 /nfs/dbraw/zinc/41/12/30/432411230.db2.gz LHPYNJAPMQFQIC-PKYBCLHXSA-N 1 1 316.357 3.487 20 5 DGBDMO C[C@@H]1C[N@@H+](C)[C@@H](C)C[C@H]1NCc1cc([N+](=O)[O-])ccc1Cl ZINC000271525454 432415062 /nfs/dbraw/zinc/41/50/62/432415062.db2.gz RCHAAZAQDUSULM-JRPNMDOOSA-N 1 1 311.813 3.067 20 5 DGBDMO C[C@H](CN[C@H]1CCCc2ccc([N+](=O)[O-])cc21)[N@H+](C)C1CC1 ZINC000192833231 432418185 /nfs/dbraw/zinc/41/81/85/432418185.db2.gz ORSGQPGQOKAELZ-PXAZEXFGSA-N 1 1 303.406 3.045 20 5 DGBDMO C[C@H](CN[C@H]1CCCc2ccc([N+](=O)[O-])cc21)[N@@H+](C)C1CC1 ZINC000192833231 432418190 /nfs/dbraw/zinc/41/81/90/432418190.db2.gz ORSGQPGQOKAELZ-PXAZEXFGSA-N 1 1 303.406 3.045 20 5 DGBDMO COc1cccc(NCCCCn2cc[nH+]c2C)c1[N+](=O)[O-] ZINC000185474048 432503845 /nfs/dbraw/zinc/50/38/45/432503845.db2.gz CUTIXRGHZMJDRI-UHFFFAOYSA-N 1 1 304.350 3.001 20 5 DGBDMO Cc1ccc(C(C)(C)C[N@@H+](C)CCn2ccc([N+](=O)[O-])n2)cc1 ZINC000176269693 432505104 /nfs/dbraw/zinc/50/51/04/432505104.db2.gz HBQLKJSXLXDIDT-UHFFFAOYSA-N 1 1 316.405 3.009 20 5 DGBDMO CCCCC[NH2+][C@@H](c1nccn1C)c1ccc([N+](=O)[O-])cc1 ZINC000272484961 432510887 /nfs/dbraw/zinc/51/08/87/432510887.db2.gz CTHNZODNGZIEKE-OAHLLOKOSA-N 1 1 302.378 3.198 20 5 DGBDMO Cn1ccnc1[C@@H]([NH2+][C@H]1CC=CCC1)c1ccc([N+](=O)[O-])cc1 ZINC000272536198 432519851 /nfs/dbraw/zinc/51/98/51/432519851.db2.gz OCSZEBRUVSNFMG-HOCLYGCPSA-N 1 1 312.373 3.116 20 5 DGBDMO C[C@@H](O)[C@H]1CC[N@@H+](Cc2ccc(-c3ccccc3[N+](=O)[O-])o2)C1 ZINC000272578022 432528579 /nfs/dbraw/zinc/52/85/79/432528579.db2.gz XMEDHKOGQUWENR-OLZOCXBDSA-N 1 1 316.357 3.058 20 5 DGBDMO O=[N+]([O-])c1cccc(C[N@H+](Cc2cnc3ccccn23)C2CC2)c1 ZINC000155708349 432569830 /nfs/dbraw/zinc/56/98/30/432569830.db2.gz AOVJVUBMMDHLGW-UHFFFAOYSA-N 1 1 322.368 3.407 20 5 DGBDMO O=[N+]([O-])c1cccc(C[N@@H+](Cc2cnc3ccccn23)C2CC2)c1 ZINC000155708349 432569834 /nfs/dbraw/zinc/56/98/34/432569834.db2.gz AOVJVUBMMDHLGW-UHFFFAOYSA-N 1 1 322.368 3.407 20 5 DGBDMO C[N@H+](Cc1cccc([N+](=O)[O-])c1)C[C@H]1OCCc2ccccc21 ZINC000263753636 432572456 /nfs/dbraw/zinc/57/24/56/432572456.db2.gz SYCLRSODXZDHKY-GOSISDBHSA-N 1 1 312.369 3.341 20 5 DGBDMO Cc1c([C@H](C)[NH2+]Cc2cc(Cl)ccc2[N+](=O)[O-])cnn1C ZINC000273265280 432575579 /nfs/dbraw/zinc/57/55/79/432575579.db2.gz AIFOSKYQGWROHQ-VIFPVBQESA-N 1 1 308.769 3.141 20 5 DGBDMO C[C@@H]1C[C@H](C)C[N@H+](CCCCNc2ncc([N+](=O)[O-])s2)C1 ZINC000195509137 432624799 /nfs/dbraw/zinc/62/47/99/432624799.db2.gz YOSUSOMVZXRMPE-TXEJJXNPSA-N 1 1 312.439 3.221 20 5 DGBDMO COc1cnccc1[C@@H](C)[NH2+][C@H](C)c1cccc([N+](=O)[O-])c1 ZINC000187067761 432644922 /nfs/dbraw/zinc/64/49/22/432644922.db2.gz TXGJUZMZIYAULR-VXGBXAGGSA-N 1 1 301.346 3.410 20 5 DGBDMO Cc1ccc([C@H](C)NCC[N@@H+]2CCC[C@H](C)C2)cc1[N+](=O)[O-] ZINC000178066975 432691152 /nfs/dbraw/zinc/69/11/52/432691152.db2.gz GXKKBCPCLNANBN-ZFWWWQNUSA-N 1 1 305.422 3.286 20 5 DGBDMO Cc1ccc([C@H](C)NCC[N@H+]2CCC[C@H](C)C2)cc1[N+](=O)[O-] ZINC000178066975 432691155 /nfs/dbraw/zinc/69/11/55/432691155.db2.gz GXKKBCPCLNANBN-ZFWWWQNUSA-N 1 1 305.422 3.286 20 5 DGBDMO C[C@@H](NC[C@H](C)[N@@H+]1CCC[C@@H](C)C1)c1cccc([N+](=O)[O-])c1 ZINC000245471680 432836347 /nfs/dbraw/zinc/83/63/47/432836347.db2.gz XYFOMOLFKPPLBW-QLFBSQMISA-N 1 1 305.422 3.366 20 5 DGBDMO C[C@@H](NC[C@H](C)[N@H+]1CCC[C@@H](C)C1)c1cccc([N+](=O)[O-])c1 ZINC000245471680 432836350 /nfs/dbraw/zinc/83/63/50/432836350.db2.gz XYFOMOLFKPPLBW-QLFBSQMISA-N 1 1 305.422 3.366 20 5 DGBDMO CS[C@H]1CC[N@@H+](Cc2coc(-c3ccc([N+](=O)[O-])cc3)n2)C1 ZINC000296259572 432889741 /nfs/dbraw/zinc/88/97/41/432889741.db2.gz LUBMBQIYKRUFLR-AWEZNQCLSA-N 1 1 319.386 3.187 20 5 DGBDMO C[C@@]1(CCCO)CCC[N@H+]1Cc1ccc(Cl)cc1[N+](=O)[O-] ZINC000330677226 432923856 /nfs/dbraw/zinc/92/38/56/432923856.db2.gz KYOWVXVBCZBEGF-HNNXBMFYSA-N 1 1 312.797 3.375 20 5 DGBDMO O=[N+]([O-])c1ccc(CC[N@H+]2CCC[C@@H](c3ccncc3)C2)cc1 ZINC000289280806 432941148 /nfs/dbraw/zinc/94/11/48/432941148.db2.gz GCQDBNBJPGWVLE-QGZVFWFLSA-N 1 1 311.385 3.412 20 5 DGBDMO COc1nc(C)cc(C)c1C[NH2+][C@@H](C)c1ccc([N+](=O)[O-])cc1 ZINC000296528338 432919227 /nfs/dbraw/zinc/91/92/27/432919227.db2.gz CSMRWBFLGBGTSX-ZDUSSCGKSA-N 1 1 315.373 3.466 20 5 DGBDMO Cc1cnn([C@H]2CC[N@H+](Cc3ccc(Cl)c([N+](=O)[O-])c3)C2)c1 ZINC000289874630 432978649 /nfs/dbraw/zinc/97/86/49/432978649.db2.gz LZDVEERNUHOIQG-ZDUSSCGKSA-N 1 1 320.780 3.200 20 5 DGBDMO Cc1cnn([C@H]2CC[N@@H+](Cc3ccc(Cl)c([N+](=O)[O-])c3)C2)c1 ZINC000289874630 432978653 /nfs/dbraw/zinc/97/86/53/432978653.db2.gz LZDVEERNUHOIQG-ZDUSSCGKSA-N 1 1 320.780 3.200 20 5 DGBDMO CCOc1cc(C[N@H+]2CCSC[C@H](C)C2)ccc1[N+](=O)[O-] ZINC000332221266 432987435 /nfs/dbraw/zinc/98/74/35/432987435.db2.gz KHAHFOIHWHMODI-GFCCVEGCSA-N 1 1 310.419 3.178 20 5 DGBDMO O=[N+]([O-])c1cc(Cl)ccc1C[NH2+][C@@H](CCO)c1ccccc1 ZINC000341221015 432997004 /nfs/dbraw/zinc/99/70/04/432997004.db2.gz OPLRKIVTEKUHDI-HNNXBMFYSA-N 1 1 320.776 3.462 20 5 DGBDMO CC[N@@H+](CCOC)Cc1ccc(-c2ccccc2[N+](=O)[O-])o1 ZINC000349856001 433024322 /nfs/dbraw/zinc/02/43/22/433024322.db2.gz UXDRLEKZSKHGQQ-UHFFFAOYSA-N 1 1 304.346 3.323 20 5 DGBDMO CC(=O)c1cc(NCCC[N@@H+]2CCCC[C@@H]2C)ccc1[N+](=O)[O-] ZINC000341356777 433036781 /nfs/dbraw/zinc/03/67/81/433036781.db2.gz YCDASMFNBVFITD-ZDUSSCGKSA-N 1 1 319.405 3.474 20 5 DGBDMO CC(C)[N@H+]1CCCN(Cc2ccc(Cl)cc2[N+](=O)[O-])CC1 ZINC000341484675 433086201 /nfs/dbraw/zinc/08/62/01/433086201.db2.gz IMTXCRILRZDFDU-UHFFFAOYSA-N 1 1 311.813 3.164 20 5 DGBDMO CCO[C@H]1C[C@@H]([N@@H+](C)Cc2cc([N+](=O)[O-])ccc2OC)C1(C)C ZINC000354458609 433095733 /nfs/dbraw/zinc/09/57/33/433095733.db2.gz QGYWFENSUBZDBX-CVEARBPZSA-N 1 1 322.405 3.239 20 5 DGBDMO Cc1ccc([C@H](C)[N@H+]2CCC[C@@]3(CCOC3)C2)cc1[N+](=O)[O-] ZINC000453381075 433134556 /nfs/dbraw/zinc/13/45/56/433134556.db2.gz RDYBBYWOAHQBPQ-WMLDXEAASA-N 1 1 304.390 3.467 20 5 DGBDMO Cc1ccc([C@@H](C)[N@H+]2CCC[C@]3(CCOC3)C2)cc1[N+](=O)[O-] ZINC000453381066 433135808 /nfs/dbraw/zinc/13/58/08/433135808.db2.gz RDYBBYWOAHQBPQ-PBHICJAKSA-N 1 1 304.390 3.467 20 5 DGBDMO Cc1ccc(C[N@@H+]2CCC[C@@](CO)(C(C)C)C2)cc1[N+](=O)[O-] ZINC000354562224 433152798 /nfs/dbraw/zinc/15/27/98/433152798.db2.gz ILXWYUIECJFWRA-QGZVFWFLSA-N 1 1 306.406 3.134 20 5 DGBDMO CC1(C)C[N@@H+](Cc2ccc(-c3ccccc3[N+](=O)[O-])o2)C[C@H]1O ZINC000280593342 433100987 /nfs/dbraw/zinc/10/09/87/433100987.db2.gz XPILNGDDMGDGNX-MRXNPFEDSA-N 1 1 316.357 3.058 20 5 DGBDMO O=[N+]([O-])c1ccc2[nH]c(C[NH2+]Cc3ccc(F)c(F)c3)nc2c1 ZINC000446849159 433118392 /nfs/dbraw/zinc/11/83/92/433118392.db2.gz WHGXYSTUDAUWIW-UHFFFAOYSA-N 1 1 318.283 3.039 20 5 DGBDMO Cc1ccc(C[N@H+](Cc2cnn(C)c2)CC(C)C)cc1[N+](=O)[O-] ZINC000453612331 433234068 /nfs/dbraw/zinc/23/40/68/433234068.db2.gz AXILFHHKJLSTAX-UHFFFAOYSA-N 1 1 316.405 3.295 20 5 DGBDMO CO[C@@H](C[N@H+]1CCC[C@@H](c2ccc([N+](=O)[O-])cc2)C1)C1CC1 ZINC000425466652 433253013 /nfs/dbraw/zinc/25/30/13/433253013.db2.gz BDOCTYBLOWPMGH-WBVHZDCISA-N 1 1 304.390 3.199 20 5 DGBDMO Cc1ccc([N+](=O)[O-])cc1NC(=O)C[N@@H+](CC1CC1)C1CCC1 ZINC000361583361 433262471 /nfs/dbraw/zinc/26/24/71/433262471.db2.gz LGLUXTPUNWRKBD-UHFFFAOYSA-N 1 1 317.389 3.106 20 5 DGBDMO C[N@@H+](CCCO)Cc1ccc(-c2ccccc2[N+](=O)[O-])s1 ZINC000281737836 433361642 /nfs/dbraw/zinc/36/16/42/433361642.db2.gz JSFKJABXXQSXBP-UHFFFAOYSA-N 1 1 306.387 3.138 20 5 DGBDMO CCOc1ccc([C@H](C)[NH2+][C@@H](C)c2ccn(C)n2)cc1[N+](=O)[O-] ZINC000414168927 433437384 /nfs/dbraw/zinc/43/73/84/433437384.db2.gz ARNINARIBKBIOS-RYUDHWBXSA-N 1 1 318.377 3.139 20 5 DGBDMO CC[N@@H+](CCC1CC1)[C@@H](C)C(=O)Nc1ccccc1[N+](=O)[O-] ZINC000355053938 433438495 /nfs/dbraw/zinc/43/84/95/433438495.db2.gz BPFPXBAYMXXYOJ-LBPRGKRZSA-N 1 1 305.378 3.044 20 5 DGBDMO CC[N@H+]1CCCN(c2ccc(C(F)(F)F)cc2[N+](=O)[O-])CC1 ZINC000301168421 433440981 /nfs/dbraw/zinc/44/09/81/433440981.db2.gz FMWHBHWVEJVRNB-UHFFFAOYSA-N 1 1 317.311 3.146 20 5 DGBDMO CC[N@H+](CCC(=O)Nc1cc([N+](=O)[O-])ccc1C)CCC1CC1 ZINC000355064910 433443971 /nfs/dbraw/zinc/44/39/71/433443971.db2.gz RPMCNYNOPURGJX-UHFFFAOYSA-N 1 1 319.405 3.354 20 5 DGBDMO CC(C)Oc1ccc([N+](=O)[O-])cc1C[N@@H+](C)[C@@H]1CCCC[C@H]1O ZINC000426237402 433445410 /nfs/dbraw/zinc/44/54/10/433445410.db2.gz IKVFAICBNYHAPH-HZPDHXFCSA-N 1 1 322.405 3.117 20 5 DGBDMO Cc1cc([N+](=O)[O-])cnc1NCCCC[N@@H+]1C[C@H](C)C[C@H](C)C1 ZINC000301201368 433450500 /nfs/dbraw/zinc/45/05/00/433450500.db2.gz QIQSKNKEXCGWHI-OKILXGFUSA-N 1 1 320.437 3.468 20 5 DGBDMO Cc1cc([N+](=O)[O-])cnc1N[C@H](C)C[N@@H+]1C[C@H](C)C[C@H](C)C1 ZINC000301228721 433460733 /nfs/dbraw/zinc/46/07/33/433460733.db2.gz IDIRADMZGMYSFP-MBNYWOFBSA-N 1 1 306.410 3.077 20 5 DGBDMO O=[N+]([O-])c1cccc([C@@H](O)C[N@H+]2CCC=C(c3ccco3)C2)c1 ZINC000375691176 433530868 /nfs/dbraw/zinc/53/08/68/433530868.db2.gz WFTBLMWXMFJGGF-INIZCTEOSA-N 1 1 314.341 3.011 20 5 DGBDMO Cc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@H+]1CC[C@H]2CCC[C@@H]21 ZINC000426456224 433500954 /nfs/dbraw/zinc/50/09/54/433500954.db2.gz DBLNPKJHOYLXJO-CJNGLKHVSA-N 1 1 317.389 3.106 20 5 DGBDMO O=C(C[N@@H+]1CC[C@H]2CCC[C@H]21)Nc1ccc([N+](=O)[O-])cc1Cl ZINC000426473113 433506016 /nfs/dbraw/zinc/50/60/16/433506016.db2.gz QMAZJXVCIBAGBP-QMTHXVAHSA-N 1 1 323.780 3.061 20 5 DGBDMO O=C(C[N@H+]1CC[C@H]2CCC[C@H]21)Nc1ccc([N+](=O)[O-])cc1Cl ZINC000426473113 433506021 /nfs/dbraw/zinc/50/60/21/433506021.db2.gz QMAZJXVCIBAGBP-QMTHXVAHSA-N 1 1 323.780 3.061 20 5 DGBDMO COCC[N@@H+](CCc1ccc([N+](=O)[O-])cc1)[C@H]1CC[C@H](C)C1 ZINC000362153917 433551350 /nfs/dbraw/zinc/55/13/50/433551350.db2.gz YVKORNWWPBKISL-YOEHRIQHSA-N 1 1 306.406 3.274 20 5 DGBDMO C[C@@H]1CC[C@@H](c2ccccc2)[N@H+](Cc2c([N+](=O)[O-])ncn2C)C1 ZINC000375760754 433554171 /nfs/dbraw/zinc/55/41/71/433554171.db2.gz UDSWOLURNOLIEN-HIFRSBDPSA-N 1 1 314.389 3.302 20 5 DGBDMO C[C@@H]1CC[C@@H](c2ccccc2)[N@@H+](Cc2c([N+](=O)[O-])ncn2C)C1 ZINC000375760754 433554179 /nfs/dbraw/zinc/55/41/79/433554179.db2.gz UDSWOLURNOLIEN-HIFRSBDPSA-N 1 1 314.389 3.302 20 5 DGBDMO C[N@@H+](CCNc1ccc([N+](=O)[O-])cc1)Cc1ccc(F)cc1 ZINC000301490379 433575854 /nfs/dbraw/zinc/57/58/54/433575854.db2.gz AQYPPKVGEHFGCP-UHFFFAOYSA-N 1 1 303.337 3.278 20 5 DGBDMO Cc1cnc(NCC(C)(C)[N@H+]2CCC[C@@H](C)C2)c([N+](=O)[O-])c1 ZINC000301414179 433542466 /nfs/dbraw/zinc/54/24/66/433542466.db2.gz BIUXWWASZAKPAZ-GFCCVEGCSA-N 1 1 306.410 3.221 20 5 DGBDMO Cc1ccc([N+](=O)[O-])cc1[C@@H](C)N1CC[C@@]2(C1)CCC[N@@H+](C)C2 ZINC000292846621 433600316 /nfs/dbraw/zinc/60/03/16/433600316.db2.gz BNPHMHWQIHRJRJ-QAPCUYQASA-N 1 1 317.433 3.382 20 5 DGBDMO Cc1ccc([N+](=O)[O-])cc1[C@@H](C)[N@@H+]1CC[C@@]2(C1)CCCN(C)C2 ZINC000292846621 433600326 /nfs/dbraw/zinc/60/03/26/433600326.db2.gz BNPHMHWQIHRJRJ-QAPCUYQASA-N 1 1 317.433 3.382 20 5 DGBDMO Cc1ccc([N+](=O)[O-])cc1[C@@H](C)[N@H+]1CC[C@@]2(C1)CCCN(C)C2 ZINC000292846621 433600342 /nfs/dbraw/zinc/60/03/42/433600342.db2.gz BNPHMHWQIHRJRJ-QAPCUYQASA-N 1 1 317.433 3.382 20 5 DGBDMO CC[N@H+]1CCCC[C@H]1CNc1ccc([N+](=O)[O-])c2cccnc12 ZINC000301559373 433611903 /nfs/dbraw/zinc/61/19/03/433611903.db2.gz UDOKEZHPGMIWLA-ZDUSSCGKSA-N 1 1 314.389 3.429 20 5 DGBDMO C[C@H]1CC[C@H]([N@H+](CCO)Cc2c(Cl)cccc2[N+](=O)[O-])C1 ZINC000351628138 433624930 /nfs/dbraw/zinc/62/49/30/433624930.db2.gz LMYWGKCGZJWMLQ-RYUDHWBXSA-N 1 1 312.797 3.231 20 5 DGBDMO C[C@H]1CC[C@H]([N@@H+](CCO)Cc2c(Cl)cccc2[N+](=O)[O-])C1 ZINC000351628138 433624936 /nfs/dbraw/zinc/62/49/36/433624936.db2.gz LMYWGKCGZJWMLQ-RYUDHWBXSA-N 1 1 312.797 3.231 20 5 DGBDMO CC[C@]1(C)CCC[N@@H+]([C@@H](C)C(=O)Nc2ccccc2[N+](=O)[O-])C1 ZINC000362384445 433677031 /nfs/dbraw/zinc/67/70/31/433677031.db2.gz FRYMOGRQGOOXFN-SUMWQHHRSA-N 1 1 319.405 3.434 20 5 DGBDMO CC[C@]1(C)CCC[N@H+]([C@@H](C)C(=O)Nc2ccccc2[N+](=O)[O-])C1 ZINC000362384445 433677040 /nfs/dbraw/zinc/67/70/40/433677040.db2.gz FRYMOGRQGOOXFN-SUMWQHHRSA-N 1 1 319.405 3.434 20 5 DGBDMO CC(C)[C@H]1[N@@H+](Cc2ccc([N+](=O)[O-])cc2)CC12CCOCC2 ZINC000414525352 433687435 /nfs/dbraw/zinc/68/74/35/433687435.db2.gz JKNWMLUQXPVYHT-MRXNPFEDSA-N 1 1 304.390 3.232 20 5 DGBDMO O=[N+]([O-])c1cnn(CCNc2cc[nH+]c3cc(Cl)ccc23)c1 ZINC000301709839 433688339 /nfs/dbraw/zinc/68/83/39/433688339.db2.gz HJCPLNQSCXSPHU-UHFFFAOYSA-N 1 1 317.736 3.105 20 5 DGBDMO CC(C)c1ccc(C(=O)N[C@@H](C)C[N@H+](C)C(C)C)cc1[N+](=O)[O-] ZINC000356771836 433688575 /nfs/dbraw/zinc/68/85/75/433688575.db2.gz NWQCODCGSPYXAE-ZDUSSCGKSA-N 1 1 321.421 3.177 20 5 DGBDMO C[C@@H]1C[C@@H](c2ccccc2)CC[N@H+]1CCn1cc([N+](=O)[O-])cn1 ZINC000366883447 293000184 /nfs/dbraw/zinc/00/01/84/293000184.db2.gz MCLJOORHKLECGY-ZBFHGGJFSA-N 1 1 314.389 3.059 20 5 DGBDMO O=[N+]([O-])c1ccc(C[N@@H+]2CCOCC3(CCCC3)C2)cc1F ZINC000367273701 293046905 /nfs/dbraw/zinc/04/69/05/293046905.db2.gz GKYYFUDUBBUJBV-UHFFFAOYSA-N 1 1 308.353 3.127 20 5 DGBDMO O=[N+]([O-])c1ccc(C[N@H+]2CCOCC3(CCCC3)C2)cc1F ZINC000367273701 293046907 /nfs/dbraw/zinc/04/69/07/293046907.db2.gz GKYYFUDUBBUJBV-UHFFFAOYSA-N 1 1 308.353 3.127 20 5 DGBDMO Cc1ccc(N2CCC[C@H](Cc3[nH+]ccn3C)C2)c([N+](=O)[O-])c1 ZINC000301721351 433695524 /nfs/dbraw/zinc/69/55/24/433695524.db2.gz QOEHHRSJDSBJPW-CQSZACIVSA-N 1 1 314.389 3.096 20 5 DGBDMO O=[N+]([O-])c1cc(Cl)cnc1N[C@H]1CC[N@H+](C2CCCC2)C1 ZINC000301736531 433699516 /nfs/dbraw/zinc/69/95/16/433699516.db2.gz HTKVEVCANKWJHN-NSHDSACASA-N 1 1 310.785 3.072 20 5 DGBDMO CC(C)[N@H+]1CCC[C@H](CNc2c(F)cc([N+](=O)[O-])cc2F)C1 ZINC000301760551 433711495 /nfs/dbraw/zinc/71/14/95/433711495.db2.gz BBNKMJALPQLZEW-LLVKDONJSA-N 1 1 313.348 3.405 20 5 DGBDMO COc1cc([N+](=O)[O-])ccc1C[N@@H+]1CCC[C@@H]1c1ccncc1 ZINC000373788825 293316220 /nfs/dbraw/zinc/31/62/20/293316220.db2.gz LGDFQUHCUSCKNI-MRXNPFEDSA-N 1 1 313.357 3.336 20 5 DGBDMO COc1cc([N+](=O)[O-])ccc1C[N@H+]1CCC[C@@H]1c1ccncc1 ZINC000373788825 293316224 /nfs/dbraw/zinc/31/62/24/293316224.db2.gz LGDFQUHCUSCKNI-MRXNPFEDSA-N 1 1 313.357 3.336 20 5 DGBDMO C[C@@H]1C[N@@H+](CCc2ncc(-c3cccc([N+](=O)[O-])c3)o2)[C@@H]1C ZINC000293503234 433763686 /nfs/dbraw/zinc/76/36/86/433763686.db2.gz UPKFFBUWEVHGBO-VXGBXAGGSA-N 1 1 301.346 3.133 20 5 DGBDMO Cc1ccc(C[N@H+]2CC3(CCOCC3)[C@H]2C2CC2)cc1[N+](=O)[O-] ZINC000293516898 433764633 /nfs/dbraw/zinc/76/46/33/433764633.db2.gz ARMPJLGTVKHFKL-QGZVFWFLSA-N 1 1 316.401 3.294 20 5 DGBDMO CC[C@@H]1[C@H](C)CC[N@H+]1CCC(=O)Nc1ccccc1[N+](=O)[O-] ZINC000283427367 433722959 /nfs/dbraw/zinc/72/29/59/433722959.db2.gz WQCDPFIBJIZNHK-TZMCWYRMSA-N 1 1 305.378 3.044 20 5 DGBDMO COc1cc([N+](=O)[O-])ccc1C[N@H+]1CCS[C@@H]2CCCC[C@H]21 ZINC000430204620 433787261 /nfs/dbraw/zinc/78/72/61/433787261.db2.gz RWKHAHVDPAJZMP-GDBMZVCRSA-N 1 1 322.430 3.463 20 5 DGBDMO CC[N@H+]1CCCC[C@H]1CNc1ccc([N+](=O)[O-])c(C(C)=O)c1 ZINC000283848998 433787417 /nfs/dbraw/zinc/78/74/17/433787417.db2.gz UAFZWGQWYKKZHN-AWEZNQCLSA-N 1 1 305.378 3.084 20 5 DGBDMO CC[N@H+]1CCN(c2ccc(C(F)(F)F)cc2[N+](=O)[O-])[C@H](C)C1 ZINC000343262368 433789831 /nfs/dbraw/zinc/78/98/31/433789831.db2.gz HDVSMZKBTMXYOC-SNVBAGLBSA-N 1 1 317.311 3.144 20 5 DGBDMO CSC[C@@H]1CCC[N@@H+]1Cc1c(F)cc([N+](=O)[O-])cc1F ZINC000283988526 433812460 /nfs/dbraw/zinc/81/24/60/433812460.db2.gz JLPWRMPTWSJISH-VIFPVBQESA-N 1 1 302.346 3.200 20 5 DGBDMO CSC[C@@H]1CCC[N@H+]1Cc1c(F)cc([N+](=O)[O-])cc1F ZINC000283988526 433812476 /nfs/dbraw/zinc/81/24/76/433812476.db2.gz JLPWRMPTWSJISH-VIFPVBQESA-N 1 1 302.346 3.200 20 5 DGBDMO CCC(CC)[N@@H+](CC)CC(=O)N(C)c1ccc([N+](=O)[O-])cc1 ZINC000344028265 433846165 /nfs/dbraw/zinc/84/61/65/433846165.db2.gz MRNYRJOZKKVRBH-UHFFFAOYSA-N 1 1 307.394 3.068 20 5 DGBDMO CCc1noc(CC)c1C[NH2+][C@@H](C)c1ccc(N)c([N+](=O)[O-])c1 ZINC000284151593 433847818 /nfs/dbraw/zinc/84/78/18/433847818.db2.gz PIGXLYRZKVVEPI-JTQLQIEISA-N 1 1 318.377 3.141 20 5 DGBDMO C[C@H]1Oc2cc(F)ccc2[C@H]1[NH2+]Cc1ccc([N+](=O)[O-])cc1 ZINC000377394811 433868462 /nfs/dbraw/zinc/86/84/62/433868462.db2.gz AEUIQPSUNOFJFC-HWPZZCPQSA-N 1 1 302.305 3.346 20 5 DGBDMO CCOc1ccc([C@@H](C)[NH2+]Cc2snnc2C)cc1[N+](=O)[O-] ZINC000293845380 433892404 /nfs/dbraw/zinc/89/24/04/433892404.db2.gz XAWWOYOQNJPXQQ-SECBINFHSA-N 1 1 322.390 3.004 20 5 DGBDMO Cc1nc(CC[N@H+](C)CCc2ccccc2[N+](=O)[O-])cs1 ZINC000285403017 433938626 /nfs/dbraw/zinc/93/86/26/433938626.db2.gz UDVJMKFFSFCIMU-UHFFFAOYSA-N 1 1 305.403 3.077 20 5 DGBDMO CC[C@H]1CC[C@H](C)[N@H+]1CCC(=O)Nc1ccc([N+](=O)[O-])cc1C ZINC000357552074 434074571 /nfs/dbraw/zinc/07/45/71/434074571.db2.gz JZYWHUZWROYFPM-KBPBESRZSA-N 1 1 319.405 3.495 20 5 DGBDMO CCCc1nc(C)c(C[NH2+][C@H](C)c2ccc(N)c([N+](=O)[O-])c2)o1 ZINC000294316873 434082231 /nfs/dbraw/zinc/08/22/31/434082231.db2.gz OCLXREUCKOYOGN-SNVBAGLBSA-N 1 1 318.377 3.277 20 5 DGBDMO Cc1[nH+]ccn1CCCN(C)c1c(Cl)cccc1[N+](=O)[O-] ZINC000432343166 293925678 /nfs/dbraw/zinc/92/56/78/293925678.db2.gz RYBHVSCAJAXVLF-UHFFFAOYSA-N 1 1 308.769 3.280 20 5 DGBDMO O=[N+]([O-])c1cccc2c1ccnc2N[C@@H]1CC[N@H+]2CCCC[C@@H]12 ZINC000450257969 434060513 /nfs/dbraw/zinc/06/05/13/434060513.db2.gz YJOCRMYECBBMGR-ZBFHGGJFSA-N 1 1 312.373 3.182 20 5 DGBDMO CC[C@@H]1C[C@@H](C)C[N@H+]1CCC(=O)Nc1ccccc1[N+](=O)[O-] ZINC000500125951 294104919 /nfs/dbraw/zinc/10/49/19/294104919.db2.gz QLVUJBGHSSXIBX-CHWSQXEVSA-N 1 1 305.378 3.044 20 5 DGBDMO CCOc1cc(NC[C@H]2CC[N@H+](C(C)C)C2)ccc1[N+](=O)[O-] ZINC000316239213 434183778 /nfs/dbraw/zinc/18/37/78/434183778.db2.gz PXAAWZNCFOANDY-CYBMUJFWSA-N 1 1 307.394 3.136 20 5 DGBDMO CO[C@@H]1CC[N@H+](Cc2ccc(Cl)c([N+](=O)[O-])c2)CC1(C)C ZINC000295127797 434220898 /nfs/dbraw/zinc/22/08/98/434220898.db2.gz YCIYJZWKABCKAH-CQSZACIVSA-N 1 1 312.797 3.495 20 5 DGBDMO CO[C@@H]1CC[N@@H+](Cc2ccc(Cl)c([N+](=O)[O-])c2)CC1(C)C ZINC000295127797 434220906 /nfs/dbraw/zinc/22/09/06/434220906.db2.gz YCIYJZWKABCKAH-CQSZACIVSA-N 1 1 312.797 3.495 20 5 DGBDMO COC(=O)c1csc([C@@H](C)[NH2+]Cc2ccccc2[N+](=O)[O-])c1 ZINC000286214957 434201358 /nfs/dbraw/zinc/20/13/58/434201358.db2.gz SDYHPUPMHUCYRV-SNVBAGLBSA-N 1 1 320.370 3.294 20 5 DGBDMO COC[C@H]1CCCC[N@@H+](Cc2ccc(Cl)cc2[N+](=O)[O-])C1 ZINC000364175614 434255425 /nfs/dbraw/zinc/25/54/25/434255425.db2.gz NRXNKJVOPVABDT-LBPRGKRZSA-N 1 1 312.797 3.497 20 5 DGBDMO O=[N+]([O-])c1ccc(-c2nc(Cn3c[nH+]c4c3CCCC4)co2)cc1 ZINC000295159621 434233589 /nfs/dbraw/zinc/23/35/89/434233589.db2.gz GPQINYGJAFPSDX-UHFFFAOYSA-N 1 1 324.340 3.373 20 5 DGBDMO CC(C)[N@H+]1CC[C@H](CNc2ccc([N+](=O)[O-])c3cccnc23)C1 ZINC000320402862 434236773 /nfs/dbraw/zinc/23/67/73/434236773.db2.gz WAVRNMBJMMGFAV-CYBMUJFWSA-N 1 1 314.389 3.285 20 5 DGBDMO Cn1cc(C[N@H+]2CCC23CCC3)c(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000353666127 434318156 /nfs/dbraw/zinc/31/81/56/434318156.db2.gz NHOPBEGNQXSIKK-UHFFFAOYSA-N 1 1 312.373 3.124 20 5 DGBDMO CC[C@@H](CSc1ccccc1[N+](=O)[O-])NC[C@H]([NH3+])C(C)C ZINC000423279212 434334794 /nfs/dbraw/zinc/33/47/94/434334794.db2.gz RUCVKHSNOHUTAX-STQMWFEESA-N 1 1 311.451 3.038 20 5 DGBDMO C[C@@H](NCC1C[NH2+]C1)c1ccc(-c2ccccc2[N+](=O)[O-])s1 ZINC000423305294 434354622 /nfs/dbraw/zinc/35/46/22/434354622.db2.gz QLDYFIRKUVHKBF-LLVKDONJSA-N 1 1 317.414 3.193 20 5 DGBDMO Cn1cc[nH+]c1[C@H]1CCCN(c2c(Cl)cccc2[N+](=O)[O-])C1 ZINC000366610992 434462817 /nfs/dbraw/zinc/46/28/17/434462817.db2.gz KKKGQFRUWWVUHR-NSHDSACASA-N 1 1 320.780 3.366 20 5 DGBDMO CC1(C)CCCC[N@@H+](Cc2cc([N+](=O)[O-])cc3c2OCOC3)C1 ZINC000438370942 434468547 /nfs/dbraw/zinc/46/85/47/434468547.db2.gz KSUBEQFPFJSWEO-UHFFFAOYSA-N 1 1 320.389 3.473 20 5 DGBDMO COc1cc([N+](=O)[O-])ccc1Cn1c[nH+]c2c1C[C@@H](C)[C@@H](C)C2 ZINC000450997497 434525690 /nfs/dbraw/zinc/52/56/90/434525690.db2.gz IRKRRWUDCLUXBM-NWDGAFQWSA-N 1 1 315.373 3.219 20 5 DGBDMO C[C@@H]1Cc2c([nH+]cn2CCOc2cccc([N+](=O)[O-])c2)C[C@@H]1C ZINC000451005786 434529322 /nfs/dbraw/zinc/52/93/22/434529322.db2.gz YXOIFAXAPFQUPR-QWHCGFSZSA-N 1 1 315.373 3.241 20 5 DGBDMO O=[N+]([O-])c1ccc(CC[N@H+]2CCC[C@H]2C2CCOCC2)cc1 ZINC000348946364 434561036 /nfs/dbraw/zinc/56/10/36/434561036.db2.gz FIWXAKYPGVOOBW-KRWDZBQOSA-N 1 1 304.390 3.028 20 5 DGBDMO Cc1cc(C[N@H+]2CCC[C@@H](c3ccc([N+](=O)[O-])cc3)C2)n(C)n1 ZINC000418067660 434576797 /nfs/dbraw/zinc/57/67/97/434576797.db2.gz BTCGQMXTCMPVKY-OAHLLOKOSA-N 1 1 314.389 3.016 20 5 DGBDMO Cc1c(C[N@H+](Cc2cnn(C)c2)CC(C)C)cccc1[N+](=O)[O-] ZINC000459597411 434624415 /nfs/dbraw/zinc/62/44/15/434624415.db2.gz UMMBQJFCUFGYTE-UHFFFAOYSA-N 1 1 316.405 3.295 20 5 DGBDMO CN(C)CC(C)(C)[NH2+]Cc1cc([N+](=O)[O-])ccc1C(F)(F)F ZINC000459557938 434606459 /nfs/dbraw/zinc/60/64/59/434606459.db2.gz KGHCNMUCUIOILT-UHFFFAOYSA-N 1 1 319.327 3.043 20 5 DGBDMO C[C@H]1CC[N@@H+](Cc2ccc(-c3ccccc3[N+](=O)[O-])o2)C[C@H]1O ZINC000349341329 434680236 /nfs/dbraw/zinc/68/02/36/434680236.db2.gz AUXJEGYZGFBMDZ-BLLLJJGKSA-N 1 1 316.357 3.058 20 5 DGBDMO O=[N+]([O-])c1ccc(CC[N@@H+]2CC[C@@H](O)[C@H](C3CCCC3)C2)cc1 ZINC000459786235 434719084 /nfs/dbraw/zinc/71/90/84/434719084.db2.gz DDWHXVDVHVDCSM-ZWKOTPCHSA-N 1 1 318.417 3.010 20 5 DGBDMO C[C@@H](c1ccccc1[N+](=O)[O-])[N@H+]1CCC[C@H](n2cccn2)C1 ZINC000441481437 434764516 /nfs/dbraw/zinc/76/45/16/434764516.db2.gz NRBXMNSQDKYBPC-KBPBESRZSA-N 1 1 300.362 3.189 20 5 DGBDMO Cc1c(NC(=O)CC[N@@H+]2C[C@H](C)[C@H](C)[C@@H]2C)cccc1[N+](=O)[O-] ZINC000419373861 434781943 /nfs/dbraw/zinc/78/19/43/434781943.db2.gz OUQHZWWJCDRUIN-OBJOEFQTSA-N 1 1 319.405 3.208 20 5 DGBDMO Cc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@@H+]1C[C@H](C)[C@@H](C)[C@H]1C ZINC000419372727 434782069 /nfs/dbraw/zinc/78/20/69/434782069.db2.gz MWPZYELLZMMWPM-BFHYXJOUSA-N 1 1 319.405 3.208 20 5 DGBDMO Cc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@@H+]1C[C@H](C)[C@@H](C)[C@@H]1C ZINC000419377985 434782258 /nfs/dbraw/zinc/78/22/58/434782258.db2.gz VGABVIHVSHLAQV-MJBXVCDLSA-N 1 1 319.405 3.208 20 5 DGBDMO COC[C@H]1CCCC[N@@H+](CCCOc2ccc([N+](=O)[O-])cc2)C1 ZINC000372095373 434797003 /nfs/dbraw/zinc/79/70/03/434797003.db2.gz NYAONGACLDFDDG-HNNXBMFYSA-N 1 1 322.405 3.112 20 5 DGBDMO Cc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@@H+]1CC(C)(C)C[C@@H]1C ZINC000412048941 434862762 /nfs/dbraw/zinc/86/27/62/434862762.db2.gz VNZOLEWWHPSHPM-ZDUSSCGKSA-N 1 1 319.405 3.352 20 5 DGBDMO O=[N+]([O-])c1ccc(C[N@@H+]2C[C@@H](O)C[C@@H]2c2ccccc2)c(F)c1 ZINC000411959554 434847614 /nfs/dbraw/zinc/84/76/14/434847614.db2.gz YHRYZHOHAMPRTB-DOTOQJQBSA-N 1 1 316.332 3.042 20 5 DGBDMO O=[N+]([O-])c1ccc(C[N@H+]2C[C@@H](O)C[C@@H]2c2ccccc2)c(F)c1 ZINC000411959554 434847618 /nfs/dbraw/zinc/84/76/18/434847618.db2.gz YHRYZHOHAMPRTB-DOTOQJQBSA-N 1 1 316.332 3.042 20 5 DGBDMO Cc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@@H+]1CC(C)(C)C[C@H]1C ZINC000412037478 434858494 /nfs/dbraw/zinc/85/84/94/434858494.db2.gz HTMKGPITFUUNEU-CYBMUJFWSA-N 1 1 319.405 3.352 20 5 DGBDMO Cc1cc(NC[C@@H]2CC[N@H+](CC(C)C)C2)c(F)cc1[N+](=O)[O-] ZINC000461959521 434894718 /nfs/dbraw/zinc/89/47/18/434894718.db2.gz SXXPFZDRUASPIA-ZDUSSCGKSA-N 1 1 309.385 3.432 20 5 DGBDMO O=[N+]([O-])c1ccccc1-c1ccc(C[NH2+]Cc2cc[nH]n2)s1 ZINC000522254738 434917821 /nfs/dbraw/zinc/91/78/21/434917821.db2.gz MXBGOQPKSBTQFY-UHFFFAOYSA-N 1 1 314.370 3.336 20 5 DGBDMO O=[N+]([O-])c1cccc(C[N@@H+]2CCC[C@H](OCC(F)(F)F)C2)c1 ZINC000524251486 434973477 /nfs/dbraw/zinc/97/34/77/434973477.db2.gz DZPLHOPYNOHNBV-ZDUSSCGKSA-N 1 1 318.295 3.138 20 5 DGBDMO O=[N+]([O-])c1cccc(C[N@H+]2CCC[C@H](OCC(F)(F)F)C2)c1 ZINC000524251486 434973481 /nfs/dbraw/zinc/97/34/81/434973481.db2.gz DZPLHOPYNOHNBV-ZDUSSCGKSA-N 1 1 318.295 3.138 20 5 DGBDMO CCCC[N@H+]1CCCC[C@H]1CNc1nccc(C)c1[N+](=O)[O-] ZINC000522417774 434922979 /nfs/dbraw/zinc/92/29/79/434922979.db2.gz PENULMWGYZKRIP-AWEZNQCLSA-N 1 1 306.410 3.365 20 5 DGBDMO C[C@]1(CCCO)CCC[N@H+]1Cc1c(Cl)cccc1[N+](=O)[O-] ZINC000492414614 434977816 /nfs/dbraw/zinc/97/78/16/434977816.db2.gz BQVZZZCWLBNWCK-OAHLLOKOSA-N 1 1 312.797 3.375 20 5 DGBDMO CC1(C)C[N@@H+](CC(=O)Nc2ccccc2[N+](=O)[O-])[C@H]2CCC[C@@H]21 ZINC000555721865 434984854 /nfs/dbraw/zinc/98/48/54/434984854.db2.gz XOXBRHINEMFUHC-JSGCOSHPSA-N 1 1 317.389 3.044 20 5 DGBDMO CCC[N@@H+](CCn1ccc([N+](=O)[O-])n1)Cc1ccc(C)cc1 ZINC000530905014 435058843 /nfs/dbraw/zinc/05/88/43/435058843.db2.gz GQQVEFQAHVQIJN-UHFFFAOYSA-N 1 1 302.378 3.012 20 5 DGBDMO C[N@@H+](CCn1cc([N+](=O)[O-])cn1)Cc1ccc(C(C)(C)C)cc1 ZINC000531342470 435086827 /nfs/dbraw/zinc/08/68/27/435086827.db2.gz AGINZPWKHFLPAV-UHFFFAOYSA-N 1 1 316.405 3.221 20 5 DGBDMO CC(C)OCCC[N@H+](C)Cc1c(Cl)cccc1[N+](=O)[O-] ZINC000493239924 435131748 /nfs/dbraw/zinc/13/17/48/435131748.db2.gz TYAZFNGCEGNCCB-UHFFFAOYSA-N 1 1 300.786 3.495 20 5 DGBDMO CC(C)OCCC[N@@H+](C)Cc1c(Cl)cccc1[N+](=O)[O-] ZINC000493239924 435131750 /nfs/dbraw/zinc/13/17/50/435131750.db2.gz TYAZFNGCEGNCCB-UHFFFAOYSA-N 1 1 300.786 3.495 20 5 DGBDMO CC(C)[N@H+](Cc1nc(-c2cccc([N+](=O)[O-])c2)no1)CC1CC1 ZINC000532664971 435186017 /nfs/dbraw/zinc/18/60/17/435186017.db2.gz OLUCZFQGEFPAQB-UHFFFAOYSA-N 1 1 316.361 3.265 20 5 DGBDMO CCc1cnc(C[NH2+][C@@H]2CCc3c2cccc3[N+](=O)[O-])s1 ZINC000579852528 435188702 /nfs/dbraw/zinc/18/87/02/435188702.db2.gz PASZVUFCSDSDIZ-CYBMUJFWSA-N 1 1 303.387 3.391 20 5 DGBDMO CCC[N@@H+](CC)C[C@H](C)NC/C=C/c1ccccc1[N+](=O)[O-] ZINC000579533215 435161146 /nfs/dbraw/zinc/16/11/46/435161146.db2.gz LTOAXVNEVSNIQY-HQPKTYMTSA-N 1 1 305.422 3.318 20 5 DGBDMO CCCN(CC)C[C@H](C)[NH2+]C/C=C/c1ccccc1[N+](=O)[O-] ZINC000579533215 435161149 /nfs/dbraw/zinc/16/11/49/435161149.db2.gz LTOAXVNEVSNIQY-HQPKTYMTSA-N 1 1 305.422 3.318 20 5 DGBDMO COc1ccc(OCC[N@@H+](C)[C@@H](C)C(C)(C)C)c([N+](=O)[O-])c1 ZINC000532490837 435170443 /nfs/dbraw/zinc/17/04/43/435170443.db2.gz VTADPLJBHBLFLE-LBPRGKRZSA-N 1 1 310.394 3.349 20 5 DGBDMO CC[C@@H](C)[C@@H]1CCCC[N@H+]1Cc1ccc(C(N)=O)cc1[N+](=O)[O-] ZINC000532584664 435178351 /nfs/dbraw/zinc/17/83/51/435178351.db2.gz RIJGLUCFGAOTFQ-DOMZBBRYSA-N 1 1 319.405 3.094 20 5 DGBDMO CC[C@H]1CCC[N@@H+](CC(=O)Nc2ccc([N+](=O)[O-])cc2C)CC1 ZINC000533435449 435234658 /nfs/dbraw/zinc/23/46/58/435234658.db2.gz BIPNGNNRWZXUAT-AWEZNQCLSA-N 1 1 319.405 3.354 20 5 DGBDMO CC(C)(C)C[N@@H+](CCn1ccc([N+](=O)[O-])n1)Cc1ccccc1 ZINC000478052038 435289444 /nfs/dbraw/zinc/28/94/44/435289444.db2.gz FGCICJUDJYNYLS-UHFFFAOYSA-N 1 1 316.405 3.340 20 5 DGBDMO Cc1ccc([N+](=O)[O-])cc1[C@H](C)[N@@H+]1CCO[C@](C)(C2CC2)C1 ZINC000595625859 435309766 /nfs/dbraw/zinc/30/97/66/435309766.db2.gz PKZPCAZRRQCPOY-GUYCJALGSA-N 1 1 304.390 3.465 20 5 DGBDMO Cc1ccc([N+](=O)[O-])cc1[C@H](C)[N@H+]1CCO[C@](C)(C2CC2)C1 ZINC000595625859 435309770 /nfs/dbraw/zinc/30/97/70/435309770.db2.gz PKZPCAZRRQCPOY-GUYCJALGSA-N 1 1 304.390 3.465 20 5 DGBDMO CCC(=O)c1ccc(N[C@H]2CC[N@@H+](C)[C@@H](C)C2)c([N+](=O)[O-])c1 ZINC000480005088 435360702 /nfs/dbraw/zinc/36/07/02/435360702.db2.gz FYOMBFVCYXPWGO-AAEUAGOBSA-N 1 1 305.378 3.082 20 5 DGBDMO O=[N+]([O-])c1ccccc1/C=C/C[N@H+]1CCC[C@@H]1[C@@H]1CCCOC1 ZINC000567887389 435364148 /nfs/dbraw/zinc/36/41/48/435364148.db2.gz JJDQHORSBZNHHU-KSXVNBEGSA-N 1 1 316.401 3.499 20 5 DGBDMO C[N@@H+](CCOc1cccc(F)c1)CCc1ccccc1[N+](=O)[O-] ZINC000511071228 435313054 /nfs/dbraw/zinc/31/30/54/435313054.db2.gz BBSHLIHDVSBSDW-UHFFFAOYSA-N 1 1 318.348 3.287 20 5 DGBDMO CC[C@H]1[C@@H](C)CC[N@H+]1CCOc1ccc(OC)cc1[N+](=O)[O-] ZINC000481411849 435425936 /nfs/dbraw/zinc/42/59/36/435425936.db2.gz KWVSBVWBTFLQLI-JSGCOSHPSA-N 1 1 308.378 3.103 20 5 DGBDMO C[C@H](CN[C@@H]1CCc2c1cccc2[N+](=O)[O-])[N@@H+]1CCC[C@@H](C)C1 ZINC000514827399 435440732 /nfs/dbraw/zinc/44/07/32/435440732.db2.gz WZTBYQZBPWFSNE-CKEIUWERSA-N 1 1 317.433 3.292 20 5 DGBDMO C[C@H](CN[C@@H]1CCc2c1cccc2[N+](=O)[O-])[N@H+]1CCC[C@@H](C)C1 ZINC000514827399 435440737 /nfs/dbraw/zinc/44/07/37/435440737.db2.gz WZTBYQZBPWFSNE-CKEIUWERSA-N 1 1 317.433 3.292 20 5 DGBDMO C[N@H+]1CCC[C@@H](C[NH2+][C@H]2CCCCc3ccc([N+](=O)[O-])cc32)C1 ZINC000516023787 435511079 /nfs/dbraw/zinc/51/10/79/435511079.db2.gz AHCRXIFDEIKCGJ-KSSFIOAISA-N 1 1 317.433 3.294 20 5 DGBDMO CN1CCC[C@@H](C[NH2+][C@H]2CCCCc3ccc([N+](=O)[O-])cc32)C1 ZINC000516023787 435511082 /nfs/dbraw/zinc/51/10/82/435511082.db2.gz AHCRXIFDEIKCGJ-KSSFIOAISA-N 1 1 317.433 3.294 20 5 DGBDMO CC[C@H]1C[C@@H](C)C[N@H+]1Cc1cc(OC)c(OC)cc1[N+](=O)[O-] ZINC000538725760 435516765 /nfs/dbraw/zinc/51/67/65/435516765.db2.gz VKUQJYFVYRRINF-YPMHNXCESA-N 1 1 308.378 3.232 20 5 DGBDMO O=[N+]([O-])c1ccc(C[N@H+]2CCCN3c4ccccc4C[C@H]3C2)cc1 ZINC000515444415 435483150 /nfs/dbraw/zinc/48/31/50/435483150.db2.gz DKMOLSDZPCSDLQ-SFHVURJKSA-N 1 1 323.396 3.232 20 5 DGBDMO Cc1ccc([C@@H](C)[NH2+]CC[C@H]2CCCC[N@@H+]2C)cc1[N+](=O)[O-] ZINC000538278048 435490767 /nfs/dbraw/zinc/49/07/67/435490767.db2.gz JGEWMASVDSHLAB-GDBMZVCRSA-N 1 1 305.422 3.428 20 5 DGBDMO O=[N+]([O-])c1ccccc1/C=C\C[N@@H+]1CCOC[C@@H]1C1CCC1 ZINC000516927873 435562030 /nfs/dbraw/zinc/56/20/30/435562030.db2.gz PJGCBKWXEBIASD-RLXIPRIJSA-N 1 1 302.374 3.109 20 5 DGBDMO O=[N+]([O-])c1ccccc1/C=C\C[N@H+]1CCOC[C@@H]1C1CCC1 ZINC000516927873 435562034 /nfs/dbraw/zinc/56/20/34/435562034.db2.gz PJGCBKWXEBIASD-RLXIPRIJSA-N 1 1 302.374 3.109 20 5 DGBDMO CC(C)[N@@H+](C)CCN[C@@H](c1ccc([N+](=O)[O-])cc1)C(F)(F)F ZINC000517948203 435619352 /nfs/dbraw/zinc/61/93/52/435619352.db2.gz RDFRWBAFHOCKJI-ZDUSSCGKSA-N 1 1 319.327 3.128 20 5 DGBDMO C[C@H]1CSCC[N@H+](Cc2c(Cl)cccc2[N+](=O)[O-])C1 ZINC000488257152 435635408 /nfs/dbraw/zinc/63/54/08/435635408.db2.gz WFUFNUCPUPTMIK-SNVBAGLBSA-N 1 1 300.811 3.433 20 5 DGBDMO C[C@H]1CSCC[N@@H+](Cc2c(Cl)cccc2[N+](=O)[O-])C1 ZINC000488257152 435635411 /nfs/dbraw/zinc/63/54/11/435635411.db2.gz WFUFNUCPUPTMIK-SNVBAGLBSA-N 1 1 300.811 3.433 20 5 DGBDMO C[C@H]1Cc2[nH+]cn(Cc3ccc(F)cc3[N+](=O)[O-])c2C[C@@H]1C ZINC000570176309 435596252 /nfs/dbraw/zinc/59/62/52/435596252.db2.gz LVOYMSVSMHJDES-QWRGUYRKSA-N 1 1 303.337 3.350 20 5 DGBDMO O=[N+]([O-])c1ccc([C@@H]2CCC[N@H+]([C@H]3CCCC[C@H]3O)C2)cc1 ZINC000570670066 435640964 /nfs/dbraw/zinc/64/09/64/435640964.db2.gz DTGWJVHCJIPKHQ-HYVNUMGLSA-N 1 1 304.390 3.078 20 5 DGBDMO Cc1cc(N2CC[N@H+](C3CCC3)C[C@H](C)C2)ccc1[N+](=O)[O-] ZINC000488747841 435642498 /nfs/dbraw/zinc/64/24/98/435642498.db2.gz OPTRBRCGUFZZET-ZDUSSCGKSA-N 1 1 303.406 3.214 20 5 DGBDMO C[C@@H]([NH3+])C[C@H](C)NCc1ccc(-c2ccc([N+](=O)[O-])cc2)o1 ZINC000519155154 435670802 /nfs/dbraw/zinc/67/08/02/435670802.db2.gz AICLJCRQGBNUMJ-NEPJUHHUSA-N 1 1 303.362 3.070 20 5 DGBDMO CC[N@@H+](CCNc1ccccc1[N+](=O)[O-])CCC(F)(F)F ZINC000491599205 435778514 /nfs/dbraw/zinc/77/85/14/435778514.db2.gz PAQRNAQSDAUEOJ-UHFFFAOYSA-N 1 1 305.300 3.281 20 5 DGBDMO Cc1ccnc(N2CCC[C@H]([N@@H+]3[C@H](C)CC[C@@H]3C)C2)c1[N+](=O)[O-] ZINC000408174052 302271525 /nfs/dbraw/zinc/27/15/25/302271525.db2.gz FZNAEFYELVQXGL-ZNMIVQPWSA-N 1 1 318.421 3.140 20 5 DGBDMO Cc1cnc(N2CCC[C@H]([N@@H+]3[C@H](C)CC[C@@H]3C)C2)c([N+](=O)[O-])c1 ZINC000408241121 302350127 /nfs/dbraw/zinc/35/01/27/302350127.db2.gz SQWHBIIZNBAHQX-ZNMIVQPWSA-N 1 1 318.421 3.140 20 5 DGBDMO C/C(=C/c1cccc([N+](=O)[O-])c1)C[N@@H+]1CCC[C@H]([C@@H](C)O)C1 ZINC000530340414 313359814 /nfs/dbraw/zinc/35/98/14/313359814.db2.gz IMJPMZCKGPWZKD-NTWITZMVSA-N 1 1 304.390 3.091 20 5 DGBDMO C[C@@H]1C[N@@H+](CCOc2ccccc2[N+](=O)[O-])[C@@H]2CCCC[C@H]21 ZINC000542977366 314109420 /nfs/dbraw/zinc/10/94/20/314109420.db2.gz FRULKGSHWKNCMR-QLFBSQMISA-N 1 1 304.390 3.484 20 5 DGBDMO CCCC[N@@H+](CCCO)C/C(C)=C/c1cccc([N+](=O)[O-])c1 ZINC000562902105 315060264 /nfs/dbraw/zinc/06/02/64/315060264.db2.gz NEFXRYZKKYRMBT-NTCAYCPXSA-N 1 1 306.406 3.483 20 5 DGBDMO COc1cc(C)nc(C[NH2+][C@@H](C)c2cccc([N+](=O)[O-])c2)c1 ZINC000299716112 533701906 /nfs/dbraw/zinc/70/19/06/533701906.db2.gz RKHGQBORZOFMPU-LBPRGKRZSA-N 1 1 301.346 3.158 20 5 DGBDMO CCc1noc(CC)c1C[NH2+][C@@H]1CCc2c1cccc2[N+](=O)[O-] ZINC000575881202 316072392 /nfs/dbraw/zinc/07/23/92/316072392.db2.gz JQSYULKRMXUEOZ-OAHLLOKOSA-N 1 1 315.373 3.485 20 5 DGBDMO O=[N+]([O-])c1ccc(C[N@@H+]2CCOC[C@@H](C3CCC3)C2)c(Cl)c1 ZINC000576972118 316188457 /nfs/dbraw/zinc/18/84/57/316188457.db2.gz VLYOZWAHIOSHEU-AWEZNQCLSA-N 1 1 324.808 3.497 20 5 DGBDMO O=[N+]([O-])c1ccc(C[N@H+]2CCOC[C@@H](C3CCC3)C2)c(Cl)c1 ZINC000576972118 316188459 /nfs/dbraw/zinc/18/84/59/316188459.db2.gz VLYOZWAHIOSHEU-AWEZNQCLSA-N 1 1 324.808 3.497 20 5 DGBDMO CC(C)(CN[C@H]1CCc2c1cccc2[N+](=O)[O-])[NH+]1CCCCC1 ZINC000580843968 324046103 /nfs/dbraw/zinc/04/61/03/324046103.db2.gz KLXFZKPQDSRONK-INIZCTEOSA-N 1 1 317.433 3.436 20 5 DGBDMO O=[N+]([O-])c1ccc([C@@H]2CCC[N@H+](C[C@H]3CCCC[C@@H]3O)C2)cc1 ZINC000582847906 324283859 /nfs/dbraw/zinc/28/38/59/324283859.db2.gz CEGMSBUWYCDXGX-NUJGCVRESA-N 1 1 318.417 3.325 20 5 DGBDMO C[C@H]1CC[C@H]([N@@H+](C)Cc2nnc(-c3ccc([N+](=O)[O-])cc3)o2)C1 ZINC000429573765 533749941 /nfs/dbraw/zinc/74/99/41/533749941.db2.gz BWDHZGKQMUOCLQ-FZMZJTMJSA-N 1 1 316.361 3.265 20 5 DGBDMO Cc1ccc(C[N@H+](C)CC2(O)CCCCCC2)cc1[N+](=O)[O-] ZINC000428459831 533873264 /nfs/dbraw/zinc/87/32/64/533873264.db2.gz JWCIYIQSWSGFMN-UHFFFAOYSA-N 1 1 306.406 3.420 20 5 DGBDMO Cc1ccc(CN2CC[N@H+]([C@@H]3C[C@@H]3C)C[C@H](C)C2)cc1[N+](=O)[O-] ZINC000430119376 533932330 /nfs/dbraw/zinc/93/23/30/533932330.db2.gz GFVBRQYYOMIYPK-UKPHBRMFSA-N 1 1 317.433 3.065 20 5 DGBDMO COc1ccc(F)cc1C[NH2+]Cc1cccc([N+](=O)[O-])c1C ZINC000320415646 533945993 /nfs/dbraw/zinc/94/59/93/533945993.db2.gz SODKNKUZXMHMKY-UHFFFAOYSA-N 1 1 304.321 3.341 20 5 DGBDMO C[C@@H]1Cc2[nH+]cn(Cc3ccc([N+](=O)[O-])c(F)c3)c2C[C@@H]1C ZINC000295672057 534090435 /nfs/dbraw/zinc/09/04/35/534090435.db2.gz BJZQXOFKCKVPGD-MNOVXSKESA-N 1 1 303.337 3.350 20 5 DGBDMO C[C@@H](c1ccccc1)[N@H+]1CC[C@H](Nc2ncc([N+](=O)[O-])s2)C1 ZINC000443507647 534111731 /nfs/dbraw/zinc/11/17/31/534111731.db2.gz GVOWQKPBPFEVPC-AAEUAGOBSA-N 1 1 318.402 3.299 20 5 DGBDMO C[C@H](C(=O)Nc1ccccc1[N+](=O)[O-])[N@@H+]1C[C@@H]2CCCC[C@@H]2C1 ZINC000177578473 534298554 /nfs/dbraw/zinc/29/85/54/534298554.db2.gz BSSTXXCNNUZDIF-MCIONIFRSA-N 1 1 317.389 3.044 20 5 DGBDMO CC(C)CC[N@@H+](Cc1nc2cc([N+](=O)[O-])ccc2[nH]1)C1CC1 ZINC000444580558 527719637 /nfs/dbraw/zinc/71/96/37/527719637.db2.gz DEQVNVCDVBYQQF-UHFFFAOYSA-N 1 1 302.378 3.482 20 5 DGBDMO CCC[C@]1(C(=O)OCC)CCC[N@@H+]1Cc1ccc([N+](=O)[O-])cc1 ZINC000444779477 528488185 /nfs/dbraw/zinc/48/81/85/528488185.db2.gz YPWRZMIXDXCYSM-QGZVFWFLSA-N 1 1 320.389 3.293 20 5 DGBDMO CCC[C@]1(C(=O)OCC)CCC[N@H+]1Cc1ccc([N+](=O)[O-])cc1 ZINC000444779477 528488193 /nfs/dbraw/zinc/48/81/93/528488193.db2.gz YPWRZMIXDXCYSM-QGZVFWFLSA-N 1 1 320.389 3.293 20 5 DGBDMO CC(C)[C@@H]1CCC[N@@H+](CCC(=O)Nc2ccc([N+](=O)[O-])cc2)C1 ZINC000444750014 528667516 /nfs/dbraw/zinc/66/75/16/528667516.db2.gz XCBDCZIHORGXLZ-CQSZACIVSA-N 1 1 319.405 3.291 20 5 DGBDMO CC(C)[C@@H]1CCC[N@H+]1CCC(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000411185588 528674946 /nfs/dbraw/zinc/67/49/46/528674946.db2.gz NSQPAOYOXFDWRI-HNNXBMFYSA-N 1 1 305.378 3.044 20 5 DGBDMO CC1(C)CCC[N@H+](CCNC/C=C\c2ccccc2[N+](=O)[O-])C1 ZINC000444010950 528936437 /nfs/dbraw/zinc/93/64/37/528936437.db2.gz QSJUUWOZACWGBF-YVMONPNESA-N 1 1 317.433 3.320 20 5 DGBDMO CC1(C)CCC[N@@H+](CCNC/C=C\c2ccccc2[N+](=O)[O-])C1 ZINC000444010950 528936446 /nfs/dbraw/zinc/93/64/46/528936446.db2.gz QSJUUWOZACWGBF-YVMONPNESA-N 1 1 317.433 3.320 20 5 DGBDMO CC[C@H]1CCCC[N@H+]1CCOc1ccc(OC)cc1[N+](=O)[O-] ZINC000441184648 529202159 /nfs/dbraw/zinc/20/21/59/529202159.db2.gz PSXHQVLDMCZYOR-ZDUSSCGKSA-N 1 1 308.378 3.247 20 5 DGBDMO CC[C@H]1CCCC[C@@H]1[N@@H+](C)CC(=O)Nc1ccccc1[N+](=O)[O-] ZINC000444658818 529205585 /nfs/dbraw/zinc/20/55/85/529205585.db2.gz BUQDTUIHZSOTCK-ZFWWWQNUSA-N 1 1 319.405 3.434 20 5 DGBDMO CC[C@@H](C)[N@@H+](C)CCNc1ccc2cc([N+](=O)[O-])ccc2n1 ZINC000318642993 529343767 /nfs/dbraw/zinc/34/37/67/529343767.db2.gz DNGHGNHTJCHLGP-GFCCVEGCSA-N 1 1 302.378 3.285 20 5 DGBDMO COC[C@]1(C)CC[N@@H+](C/C(C)=C/c2cccc([N+](=O)[O-])c2)C1 ZINC000449393265 536673947 /nfs/dbraw/zinc/67/39/47/536673947.db2.gz LYBGGWHJIGWYBJ-RKCSUWQLSA-N 1 1 304.390 3.357 20 5 DGBDMO O=[N+]([O-])c1ccc(-c2cnn(C[N@H+]3CCC[C@H]3C3CC3)c2)cc1 ZINC000728900974 575192902 /nfs/dbraw/zinc/19/29/02/575192902.db2.gz ZRTNTXXWEHKXLV-KRWDZBQOSA-N 1 1 312.373 3.290 20 5 DGBDMO COc1ccc(OCC[N@H+]2CCC3(CCCC3)C2)c([N+](=O)[O-])c1 ZINC000743865105 575066744 /nfs/dbraw/zinc/06/67/44/575066744.db2.gz UOFZKBXHMRTIDK-UHFFFAOYSA-N 1 1 320.389 3.248 20 5 DGBDMO O=[N+]([O-])c1cc(C[N@H+]2CCC[C@@H]([C@H]3CCOC3)C2)ccc1Cl ZINC000749556659 575664441 /nfs/dbraw/zinc/66/44/41/575664441.db2.gz CFTZWGYKYMVEOH-KGLIPLIRSA-N 1 1 324.808 3.497 20 5 DGBDMO Cc1nn(C[N@H+](C)[C@@H]2CCC[C@H](C)C2)c2ncc([N+](=O)[O-])cc12 ZINC000749940943 575690707 /nfs/dbraw/zinc/69/07/07/575690707.db2.gz MFIHECVJFCVCHK-WCQYABFASA-N 1 1 317.393 3.116 20 5 DGBDMO O=[N+]([O-])c1cccc([C@H](O)C[N@@H+]2CC[C@H]2c2cccc(F)c2)c1 ZINC000750072774 575702273 /nfs/dbraw/zinc/70/22/73/575702273.db2.gz QYMSIMSAFFKGNB-DLBZAZTESA-N 1 1 316.332 3.214 20 5 DGBDMO O=[N+]([O-])c1cccc([C@H](O)C[N@H+]2CC[C@H]2c2cccc(F)c2)c1 ZINC000750072774 575702277 /nfs/dbraw/zinc/70/22/77/575702277.db2.gz QYMSIMSAFFKGNB-DLBZAZTESA-N 1 1 316.332 3.214 20 5 DGBDMO CC[C@H]1CCC[N@H+]1CC(=O)Nc1ccc(Cl)c([N+](=O)[O-])c1 ZINC000727833645 576148074 /nfs/dbraw/zinc/14/80/74/576148074.db2.gz XFZMFTGZIYPTFB-NSHDSACASA-N 1 1 311.769 3.061 20 5 DGBDMO O=[N+]([O-])c1ccc(F)cc1C[NH+]1CCC(c2ccon2)CC1 ZINC000852673254 620639198 /nfs/dbraw/zinc/63/91/98/620639198.db2.gz NYSDZPNYOQHADW-UHFFFAOYSA-N 1 1 305.309 3.102 20 5 DGBDMO O=[N+]([O-])c1cccc([C@H](O)C[N@H+]2CCC[C@@H](C3CCC3)C2)c1 ZINC000852673369 620639587 /nfs/dbraw/zinc/63/95/87/620639587.db2.gz HVIFCUIZYOQOAT-NVXWUHKLSA-N 1 1 304.390 3.140 20 5 DGBDMO O=[N+]([O-])c1ccc([C@H](O)C[N@H+]2CCC[C@H](C3CCC3)C2)cc1 ZINC000852674149 620639801 /nfs/dbraw/zinc/63/98/01/620639801.db2.gz XWXQDPHORJFCIW-DOTOQJQBSA-N 1 1 304.390 3.140 20 5 DGBDMO CC[N@@H+](Cn1cc([N+](=O)[O-])c(-c2ccccn2)n1)[C@@H](C)C(C)C ZINC000853492738 620701829 /nfs/dbraw/zinc/70/18/29/620701829.db2.gz ZYCWQUQIQNIOCX-ZDUSSCGKSA-N 1 1 317.393 3.177 20 5 DGBDMO CC[N@@H+](Cn1cc([N+](=O)[O-])c(-c2ccccn2)n1)[C@H](C)C(C)C ZINC000853492737 620701851 /nfs/dbraw/zinc/70/18/51/620701851.db2.gz ZYCWQUQIQNIOCX-CYBMUJFWSA-N 1 1 317.393 3.177 20 5 DGBDMO COc1cc(F)c([N+](=O)[O-])c(NC[C@@H]2CC[N@H+]2C(C)(C)C)c1 ZINC000853747943 620732607 /nfs/dbraw/zinc/73/26/07/620732607.db2.gz DCNDHJLHBWBPQG-JTQLQIEISA-N 1 1 311.357 3.027 20 5 DGBDMO C[N@@H+](Cc1ccccc1)C1CN(c2cccc(F)c2[N+](=O)[O-])C1 ZINC000804812360 617674915 /nfs/dbraw/zinc/67/49/15/617674915.db2.gz MVQXSBPPXNCIRU-UHFFFAOYSA-N 1 1 315.348 3.055 20 5 DGBDMO COc1ccnc([C@H](C)[NH2+][C@@H](C)c2ccccc2[N+](=O)[O-])c1 ZINC000925693577 618532480 /nfs/dbraw/zinc/53/24/80/618532480.db2.gz PONSEIKCWDHWQL-RYUDHWBXSA-N 1 1 301.346 3.410 20 5 DGBDMO CC(C)c1[nH+]ccn1Cc1nc(-c2ccc([N+](=O)[O-])s2)no1 ZINC000896224069 618886182 /nfs/dbraw/zinc/88/61/82/618886182.db2.gz ZVHVVQOONUOQPK-UHFFFAOYSA-N 1 1 319.346 3.075 20 5 DGBDMO C[C@H]1CC[N@@H+](Cc2ccc(-c3cccc([N+](=O)[O-])c3)o2)CCO1 ZINC000896583785 618930197 /nfs/dbraw/zinc/93/01/97/618930197.db2.gz GSZOGLIJQJSKBW-ZDUSSCGKSA-N 1 1 316.357 3.466 20 5 DGBDMO C[C@H]1CC[N@@H+](Cc2ccc(-c3ccc([N+](=O)[O-])cc3)o2)CCO1 ZINC000896584371 618930528 /nfs/dbraw/zinc/93/05/28/618930528.db2.gz OBTZELOXHMJGDS-ZDUSSCGKSA-N 1 1 316.357 3.466 20 5 DGBDMO Cc1c([C@@H](C)[NH2+][C@H](c2nncn2C)C(C)C)cccc1[N+](=O)[O-] ZINC000903060537 619708306 /nfs/dbraw/zinc/70/83/06/619708306.db2.gz BBVSYUXFXHZIHA-DOMZBBRYSA-N 1 1 317.393 3.080 20 5 DGBDMO CSc1ccc([N+](=O)[O-])cc1[C@H](C)N[C@H]1CC[N@H+](C)[C@@H]1C ZINC000903301630 619753947 /nfs/dbraw/zinc/75/39/47/619753947.db2.gz SCXUVNVYJVKBCX-WDMOLILDSA-N 1 1 309.435 3.060 20 5 DGBDMO CSc1ccc([N+](=O)[O-])cc1[C@H](C)N[C@H]1CC[N@@H+](C)[C@@H]1C ZINC000903301630 619753948 /nfs/dbraw/zinc/75/39/48/619753948.db2.gz SCXUVNVYJVKBCX-WDMOLILDSA-N 1 1 309.435 3.060 20 5 DGBDMO C[C@@H]([NH2+]Cc1cc(C(F)(F)F)n[nH]1)c1ccc([N+](=O)[O-])cc1 ZINC000922537557 621052072 /nfs/dbraw/zinc/05/20/72/621052072.db2.gz IFAIKLWZNIYICD-MRVPVSSYSA-N 1 1 314.267 3.188 20 5 DGBDMO C[C@]1([NH2+]Cc2csc([N+](=O)[O-])c2)CCOc2ccccc21 ZINC000923026233 621148567 /nfs/dbraw/zinc/14/85/67/621148567.db2.gz SLYKUFRPROIXEE-HNNXBMFYSA-N 1 1 304.371 3.444 20 5 DGBDMO C[C@@]1([NH2+]Cc2csc([N+](=O)[O-])c2)CCOc2ccccc21 ZINC000923026234 621148816 /nfs/dbraw/zinc/14/88/16/621148816.db2.gz SLYKUFRPROIXEE-OAHLLOKOSA-N 1 1 304.371 3.444 20 5 DGBDMO O=[N+]([O-])c1cc(C[N@@H+]2CCCC[C@H]2C2(O)CC2)ccc1Cl ZINC000839140103 621340319 /nfs/dbraw/zinc/34/03/19/621340319.db2.gz NTFDBFMQDVXKPF-AWEZNQCLSA-N 1 1 310.781 3.128 20 5 DGBDMO CC[N@H+](Cc1occc1C)C[C@H](O)c1cccc([N+](=O)[O-])c1 ZINC000839663233 621705797 /nfs/dbraw/zinc/70/57/97/621705797.db2.gz OSJHYHXCQRFTHE-HNNXBMFYSA-N 1 1 304.346 3.052 20 5 DGBDMO Cc1nn(C[N@@H+]2CC[C@@H](C(C)C)C2)c2cc([N+](=O)[O-])ccc12 ZINC000761291579 621999546 /nfs/dbraw/zinc/99/95/46/621999546.db2.gz IQRQRNUVBHAEIE-CYBMUJFWSA-N 1 1 302.378 3.188 20 5 DGBDMO O=[N+]([O-])c1ccc(N[C@H]2CCC[N@H+](CCF)C2)c(C(F)F)c1 ZINC000865928063 622021692 /nfs/dbraw/zinc/02/16/92/622021692.db2.gz PHAOLVZUOCHHNM-JTQLQIEISA-N 1 1 317.311 3.378 20 5 DGBDMO O=[N+]([O-])c1ccc(N[C@H]2CCC[N@@H+](CCF)C2)c(C(F)F)c1 ZINC000865928063 622021694 /nfs/dbraw/zinc/02/16/94/622021694.db2.gz PHAOLVZUOCHHNM-JTQLQIEISA-N 1 1 317.311 3.378 20 5 DGBDMO C[N@H+]1CC[C@@H]2CN(c3ccc(C(F)F)cc3[N+](=O)[O-])CC[C@@H]21 ZINC000866206235 622066023 /nfs/dbraw/zinc/06/60/23/622066023.db2.gz CSQIRPRLJAKIEP-NEPJUHHUSA-N 1 1 311.332 3.063 20 5 DGBDMO O=[N+]([O-])c1ccccc1CC[NH2+][C@H]1c2ccccc2OC[C@@H]1F ZINC000866274759 622082910 /nfs/dbraw/zinc/08/29/10/622082910.db2.gz SNRZUCMGAZRHCK-YOEHRIQHSA-N 1 1 316.332 3.199 20 5 DGBDMO C[C@@H](Cc1ccc(F)cc1[N+](=O)[O-])[NH2+][C@@H]1CCCc2c[nH]nc21 ZINC000866305285 622089634 /nfs/dbraw/zinc/08/96/34/622089634.db2.gz GCGQYUMQMKFFST-IINYFYTJSA-N 1 1 318.352 3.055 20 5 DGBDMO Cc1nn(C[N@@H+](C)CC2CCCC2)c2cc([N+](=O)[O-])ccc12 ZINC000121137574 622145491 /nfs/dbraw/zinc/14/54/91/622145491.db2.gz VOJMRMREVCDUAT-UHFFFAOYSA-N 1 1 302.378 3.332 20 5 DGBDMO Cc1ccc(CN2CC[C@@](C[NH3+])(C(C)(C)C)C2)cc1[N+](=O)[O-] ZINC000866710034 622158472 /nfs/dbraw/zinc/15/84/72/622158472.db2.gz WIYGGNNRXINLNS-KRWDZBQOSA-N 1 1 305.422 3.100 20 5 DGBDMO C[C@H](c1ccccc1[N+](=O)[O-])N1CC[C@](C[NH3+])(C(C)(C)C)C1 ZINC000866705554 622158556 /nfs/dbraw/zinc/15/85/56/622158556.db2.gz CMBGDASQZFUYAM-CXAGYDPISA-N 1 1 305.422 3.353 20 5 DGBDMO Cc1nn(C[N@H+]2CCS[C@H](C)[C@@H]2C)c2cc([N+](=O)[O-])ccc12 ZINC000121199720 622158738 /nfs/dbraw/zinc/15/87/38/622158738.db2.gz QQBYCGXRJYUVTA-NWDGAFQWSA-N 1 1 320.418 3.036 20 5 DGBDMO Cc1nn(C[N@@H+]2CCS[C@H](C)[C@@H]2C)c2cc([N+](=O)[O-])ccc12 ZINC000121199720 622158742 /nfs/dbraw/zinc/15/87/42/622158742.db2.gz QQBYCGXRJYUVTA-NWDGAFQWSA-N 1 1 320.418 3.036 20 5 DGBDMO C[C@@H]1C[C@H](N(C)c2ccc3ncccc3c2[N+](=O)[O-])CC[N@H+]1C ZINC000764157274 622182149 /nfs/dbraw/zinc/18/21/49/622182149.db2.gz LZXANJUBMLWYKH-CHWSQXEVSA-N 1 1 314.389 3.062 20 5 DGBDMO Cc1nn(C[NH+]2C[C@@H](C)S[C@H](C)C2)c2ccc([N+](=O)[O-])cc12 ZINC000765040199 622241496 /nfs/dbraw/zinc/24/14/96/622241496.db2.gz HAXPKTXLBAVIQM-GHMZBOCLSA-N 1 1 320.418 3.036 20 5 DGBDMO Cc1c([C@H](C)NC[C@@H](C)[NH+]2CCCCC2)cccc1[N+](=O)[O-] ZINC000765253078 622253894 /nfs/dbraw/zinc/25/38/94/622253894.db2.gz KXKFHSPRKJUYNE-HIFRSBDPSA-N 1 1 305.422 3.428 20 5 DGBDMO C[C@H]1CCC[N@@H+](CCCCNc2ccnc(F)c2[N+](=O)[O-])C1 ZINC000881810481 625568361 /nfs/dbraw/zinc/56/83/61/625568361.db2.gz XFYRQSUENXVDDN-LBPRGKRZSA-N 1 1 310.373 3.053 20 5 DGBDMO COCCc1cc[nH+]c(NCc2cccc([N+](=O)[O-])c2C)c1 ZINC000871864396 622722002 /nfs/dbraw/zinc/72/20/02/622722002.db2.gz CWPJGFVCAYTVDX-UHFFFAOYSA-N 1 1 301.346 3.099 20 5 DGBDMO CC[N@H+]1CC[C@H](CN[C@H](C)c2cc([N+](=O)[O-])ccc2SC)C1 ZINC000872026165 622760254 /nfs/dbraw/zinc/76/02/54/622760254.db2.gz YKABPRKGIINMRS-CHWSQXEVSA-N 1 1 323.462 3.309 20 5 DGBDMO CSc1ccc([N+](=O)[O-])cc1[C@@H](C)NC[C@H]1CCC[N@@H+]1C ZINC000872028732 622760609 /nfs/dbraw/zinc/76/06/09/622760609.db2.gz SNEVAKBSZZPWRK-DGCLKSJQSA-N 1 1 309.435 3.062 20 5 DGBDMO CSc1ccc([N+](=O)[O-])cc1[C@@H](C)NC[C@H]1CCC[N@H+]1C ZINC000872028732 622760616 /nfs/dbraw/zinc/76/06/16/622760616.db2.gz SNEVAKBSZZPWRK-DGCLKSJQSA-N 1 1 309.435 3.062 20 5 DGBDMO C[C@H](NCC1CC[NH+](C2CC2)CC1)c1c(F)cccc1[N+](=O)[O-] ZINC000872068626 622787794 /nfs/dbraw/zinc/78/77/94/622787794.db2.gz YAZOMJLHYFVQDU-LBPRGKRZSA-N 1 1 321.396 3.259 20 5 DGBDMO CC1(F)CC[NH+](Cn2cc(-c3ccc([N+](=O)[O-])cc3)cn2)CC1 ZINC000872692048 622954279 /nfs/dbraw/zinc/95/42/79/622954279.db2.gz VVYPJJKLHRUSLI-UHFFFAOYSA-N 1 1 318.352 3.240 20 5 DGBDMO Cc1ccn2cc(C[NH2+]Cc3c(C)ccc([N+](=O)[O-])c3C)nc2c1 ZINC000873043661 623023824 /nfs/dbraw/zinc/02/38/24/623023824.db2.gz QBGAXCZSGKDKFP-UHFFFAOYSA-N 1 1 324.384 3.458 20 5 DGBDMO O=[N+]([O-])c1ccc2c(c1)[C@@H]([NH2+]Cc1cccc(F)n1)CCC2 ZINC000774273400 623127039 /nfs/dbraw/zinc/12/70/39/623127039.db2.gz YTRNIBDBKKMZQV-HNNXBMFYSA-N 1 1 301.321 3.296 20 5 DGBDMO CN(CC[C@H]1CCC[N@H+]1C)Cc1cc([N+](=O)[O-])ccc1Cl ZINC000124842802 623244704 /nfs/dbraw/zinc/24/47/04/623244704.db2.gz KTOKZFCRACNJHB-CYBMUJFWSA-N 1 1 311.813 3.164 20 5 DGBDMO CCCC[N@@H+](CCCO)Cc1cc(Cl)ccc1[N+](=O)[O-] ZINC000775561833 623289714 /nfs/dbraw/zinc/28/97/14/623289714.db2.gz XQSMZCXCKKDJIW-UHFFFAOYSA-N 1 1 300.786 3.233 20 5 DGBDMO C[N@@H+](C[C@H](O)c1ccc([N+](=O)[O-])cc1)[C@@H]1CCc2ccccc21 ZINC000776276567 623406130 /nfs/dbraw/zinc/40/61/30/623406130.db2.gz NZYIOFZOVYIEHZ-MSOLQXFVSA-N 1 1 312.369 3.248 20 5 DGBDMO C[N@H+](Cc1ccc(F)c(F)c1)C[C@H](O)c1ccc([N+](=O)[O-])cc1 ZINC000776277743 623406218 /nfs/dbraw/zinc/40/62/18/623406218.db2.gz RVLZQWIEMVHTNV-INIZCTEOSA-N 1 1 322.311 3.038 20 5 DGBDMO CC[N@H+](Cc1ccc(C)cc1)C[C@@H](O)c1ccc([N+](=O)[O-])cc1 ZINC000776578694 623442088 /nfs/dbraw/zinc/44/20/88/623442088.db2.gz HTKPIHVIIRZYLD-GOSISDBHSA-N 1 1 314.385 3.459 20 5 DGBDMO C[C@@H]1C[C@@H]2CCCC[C@@H]2[N@H+]1C[C@@H](O)c1ccc([N+](=O)[O-])cc1 ZINC000776587482 623443765 /nfs/dbraw/zinc/44/37/65/623443765.db2.gz IBJNYTJLQMATCB-NQZOLGFYSA-N 1 1 304.390 3.281 20 5 DGBDMO O=[N+]([O-])c1ccc([C@H](O)C[N@H+]2CCC3(C2)CCCCC3)cc1 ZINC000776588732 623444395 /nfs/dbraw/zinc/44/43/95/623444395.db2.gz OFJNCNRMJLPKLE-MRXNPFEDSA-N 1 1 304.390 3.284 20 5 DGBDMO O=[N+]([O-])c1ccc([C@H](O)C[N@H+]2CC[C@@H]2c2cccc(F)c2)cc1 ZINC000776590740 623444877 /nfs/dbraw/zinc/44/48/77/623444877.db2.gz FWENHYWPZFONFB-IAGOWNOFSA-N 1 1 316.332 3.214 20 5 DGBDMO C[C@@H]1C[C@@H](C)[N@@H+](Cn2cc(-c3cccc([N+](=O)[O-])c3)cn2)C1 ZINC000777956370 623589838 /nfs/dbraw/zinc/58/98/38/623589838.db2.gz GVTSPYLFLOPOFT-CHWSQXEVSA-N 1 1 300.362 3.146 20 5 DGBDMO CC[C@@H]1CC[N@@H+](Cn2cc(-c3cccc([N+](=O)[O-])c3)cn2)C1 ZINC000777964380 623592609 /nfs/dbraw/zinc/59/26/09/623592609.db2.gz ORGMZQRSYZUDMS-CYBMUJFWSA-N 1 1 300.362 3.148 20 5 DGBDMO O=[N+]([O-])c1ccnn1C[N@@H+]1CCC[C@@H](c2ccc(F)cc2)CC1 ZINC000777968504 623593319 /nfs/dbraw/zinc/59/33/19/623593319.db2.gz CKGWCBAQSGPRGK-CYBMUJFWSA-N 1 1 318.352 3.158 20 5 DGBDMO O=[N+]([O-])c1ccnn1C[N@H+]1CCC[C@@H](c2ccc(F)cc2)CC1 ZINC000777968504 623593321 /nfs/dbraw/zinc/59/33/21/623593321.db2.gz CKGWCBAQSGPRGK-CYBMUJFWSA-N 1 1 318.352 3.158 20 5 DGBDMO C[C@@H]1CC[C@@](CO)([N@@H+](C)Cc2ccc(Cl)c([N+](=O)[O-])c2)C1 ZINC000778426783 623655966 /nfs/dbraw/zinc/65/59/66/623655966.db2.gz BQBLEDCVTXGQHF-IAQYHMDHSA-N 1 1 312.797 3.231 20 5 DGBDMO Cc1ccc([N+](=O)[O-])c(C)c1CN(C)[C@H]1CC[N@@H+](C)[C@H](C)C1 ZINC000876765947 623701406 /nfs/dbraw/zinc/70/14/06/623701406.db2.gz XMRDOEWFIAXMQF-HIFRSBDPSA-N 1 1 305.422 3.126 20 5 DGBDMO Cc1ccc([N+](=O)[O-])c(C)c1C[N@@H+](C)[C@H]1CCN(C)[C@H](C)C1 ZINC000876765947 623701410 /nfs/dbraw/zinc/70/14/10/623701410.db2.gz XMRDOEWFIAXMQF-HIFRSBDPSA-N 1 1 305.422 3.126 20 5 DGBDMO Cc1ccc([N+](=O)[O-])c(C)c1C[N@H+](C)[C@H]1CCN(C)[C@H](C)C1 ZINC000876765947 623701413 /nfs/dbraw/zinc/70/14/13/623701413.db2.gz XMRDOEWFIAXMQF-HIFRSBDPSA-N 1 1 305.422 3.126 20 5 DGBDMO Cc1ccc([C@H](C)[NH2+]Cc2ccc(Cl)nn2)cc1[N+](=O)[O-] ZINC000877073692 623784221 /nfs/dbraw/zinc/78/42/21/623784221.db2.gz QMKJKCBMAHCIHO-JTQLQIEISA-N 1 1 306.753 3.197 20 5 DGBDMO Cc1nn(C[N@H+]2CCCC[C@H]2Cc2ccccc2)cc1[N+](=O)[O-] ZINC000779858579 623822058 /nfs/dbraw/zinc/82/20/58/623822058.db2.gz AMVNGWCJWSKONY-INIZCTEOSA-N 1 1 314.389 3.154 20 5 DGBDMO Cc1ccc([N+](=O)[O-])c(C)c1C[N@H+]1CCC[C@@]1(C)CCCO ZINC000877528608 623926013 /nfs/dbraw/zinc/92/60/13/623926013.db2.gz FRGDBYDMPXRTOK-KRWDZBQOSA-N 1 1 306.406 3.339 20 5 DGBDMO CC(C)(O)[C@@H]1CCC[N@@H+](Cc2ccc(Cl)c([N+](=O)[O-])c2)C1 ZINC000877796080 624037152 /nfs/dbraw/zinc/03/71/52/624037152.db2.gz HCSMYBRLZPNLDI-GFCCVEGCSA-N 1 1 312.797 3.231 20 5 DGBDMO C/C(=C/c1cccc([N+](=O)[O-])c1)C[N@H+]1CC[C@H](C(C)(C)O)C1 ZINC000877836089 624064808 /nfs/dbraw/zinc/06/48/08/624064808.db2.gz MOXHAWMPFJGHGS-CTXBLAANSA-N 1 1 304.390 3.091 20 5 DGBDMO C/C(=C\c1cccc([N+](=O)[O-])c1)C[N@H+]1CC[C@@H](C(C)(C)O)C1 ZINC000877836088 624065064 /nfs/dbraw/zinc/06/50/64/624065064.db2.gz MOXHAWMPFJGHGS-BMQCOBNYSA-N 1 1 304.390 3.091 20 5 DGBDMO CC[C@H](C)C[N@@H+](C)Cc1nnc(-c2ccccc2[N+](=O)[O-])o1 ZINC000878093837 624164531 /nfs/dbraw/zinc/16/45/31/624164531.db2.gz NUPMOTOBWKUTAE-NSHDSACASA-N 1 1 304.350 3.123 20 5 DGBDMO CC[C@H]1CC[C@@H](C)[N@H+]1Cc1nnc(-c2ccccc2[N+](=O)[O-])o1 ZINC000878341026 624249672 /nfs/dbraw/zinc/24/96/72/624249672.db2.gz RGUSUMGFFTXKHZ-NEPJUHHUSA-N 1 1 316.361 3.408 20 5 DGBDMO Cc1ccc([C@@H](C)[NH2+]Cc2nccn2CC(F)F)cc1[N+](=O)[O-] ZINC000878370798 624259849 /nfs/dbraw/zinc/25/98/49/624259849.db2.gz BOSOZLVZQSNKLE-LLVKDONJSA-N 1 1 324.331 3.216 20 5 DGBDMO O=[N+]([O-])c1ccc(C[N@@H+]2CCC[C@H]2c2cccnc2)cc1F ZINC000805746615 624357471 /nfs/dbraw/zinc/35/74/71/624357471.db2.gz CRGVAVXWHWOFRA-HNNXBMFYSA-N 1 1 301.321 3.466 20 5 DGBDMO O=[N+]([O-])c1ccc(C[N@H+]2CCC[C@H]2c2cccnc2)cc1F ZINC000805746615 624357477 /nfs/dbraw/zinc/35/74/77/624357477.db2.gz CRGVAVXWHWOFRA-HNNXBMFYSA-N 1 1 301.321 3.466 20 5 DGBDMO O=[N+]([O-])c1ccc(Cl)cc1C[NH+]1CCC([C@H]2CCOC2)CC1 ZINC000784344277 624507783 /nfs/dbraw/zinc/50/77/83/624507783.db2.gz UKQNSQFBVMZKQS-ZDUSSCGKSA-N 1 1 324.808 3.497 20 5 DGBDMO C[C@H](O)[C@@H]1C[C@H](C)CC[N@H+]1Cc1cc(Cl)ccc1[N+](=O)[O-] ZINC000785546033 624684174 /nfs/dbraw/zinc/68/41/74/624684174.db2.gz KEQQIFRJNLPCJG-ZETOZRRWSA-N 1 1 312.797 3.230 20 5 DGBDMO COc1cc([N+](=O)[O-])ccc1C[N@@H+]1CC[C@](C)(C(F)(F)F)C1 ZINC000880004806 624750102 /nfs/dbraw/zinc/75/01/02/624750102.db2.gz YALQLGOHJRMUGN-ZDUSSCGKSA-N 1 1 318.295 3.378 20 5 DGBDMO COc1cc([N+](=O)[O-])ccc1C[N@H+]1CC[C@](C)(C(F)(F)F)C1 ZINC000880004806 624750107 /nfs/dbraw/zinc/75/01/07/624750107.db2.gz YALQLGOHJRMUGN-ZDUSSCGKSA-N 1 1 318.295 3.378 20 5 DGBDMO O=[N+]([O-])c1ccc(C[N@H+]2C[C@@H]3C[C@H]2CN3c2ccccc2)cc1 ZINC000880189348 624827633 /nfs/dbraw/zinc/82/76/33/624827633.db2.gz JKHCBHJHUXHUNH-ROUUACIJSA-N 1 1 309.369 3.058 20 5 DGBDMO CO[C@]1(C(F)(F)F)CC[N@@H+]([C@@H](C)c2ccccc2[N+](=O)[O-])C1 ZINC000880302357 624904085 /nfs/dbraw/zinc/90/40/85/624904085.db2.gz FMKQVQCBAYWZRN-GXFFZTMASA-N 1 1 318.295 3.309 20 5 DGBDMO CO[C@]1(C(F)(F)F)CC[N@H+]([C@@H](C)c2ccccc2[N+](=O)[O-])C1 ZINC000880302357 624904088 /nfs/dbraw/zinc/90/40/88/624904088.db2.gz FMKQVQCBAYWZRN-GXFFZTMASA-N 1 1 318.295 3.309 20 5 DGBDMO O=[N+]([O-])c1ccc(CC[N@H+]2CC[C@H](c3nccs3)C2)cc1 ZINC000880316526 624912499 /nfs/dbraw/zinc/91/24/99/624912499.db2.gz HAVVYCDWINEXES-ZDUSSCGKSA-N 1 1 303.387 3.083 20 5 DGBDMO C[C@@H]1c2sccc2CC[N@@H+]1C[C@@H](O)c1cccc([N+](=O)[O-])c1 ZINC000880377120 624943388 /nfs/dbraw/zinc/94/33/88/624943388.db2.gz OQGAJLWRFIQVMF-IAQYHMDHSA-N 1 1 318.398 3.309 20 5 DGBDMO CC[N@H+]1CCCC[C@H]1CNc1ccc([N+](=O)[O-])cc1C(C)=O ZINC000786804747 624954835 /nfs/dbraw/zinc/95/48/35/624954835.db2.gz LYJROIPZSCBSTJ-AWEZNQCLSA-N 1 1 305.378 3.084 20 5 DGBDMO CC[N@H+](Cc1ccc([N+](=O)[O-])cc1F)[C@H](CO)c1ccccc1 ZINC000880462405 624960804 /nfs/dbraw/zinc/96/08/04/624960804.db2.gz SVRFXNQXEQJNAO-QGZVFWFLSA-N 1 1 318.348 3.289 20 5 DGBDMO CC[N@@H+](Cc1ccc([N+](=O)[O-])cc1F)[C@H](CO)c1ccccc1 ZINC000880462405 624960809 /nfs/dbraw/zinc/96/08/09/624960809.db2.gz SVRFXNQXEQJNAO-QGZVFWFLSA-N 1 1 318.348 3.289 20 5 DGBDMO CC[N@@H+](Cc1ccc([N+](=O)[O-])cc1)[C@@H](CO)c1ccccc1 ZINC000880459610 624960941 /nfs/dbraw/zinc/96/09/41/624960941.db2.gz IDIMRSXBKFPBIN-KRWDZBQOSA-N 1 1 300.358 3.150 20 5 DGBDMO Cc1ccc([C@H](C)[NH2+]Cc2cnc(Cl)cn2)cc1[N+](=O)[O-] ZINC000788490274 625196043 /nfs/dbraw/zinc/19/60/43/625196043.db2.gz ZTVSPXQFMFUAFY-JTQLQIEISA-N 1 1 306.753 3.197 20 5 DGBDMO CCC(CC)[C@H](CN[C@@H](C)c1ccc(N)c([N+](=O)[O-])c1)[NH+](C)C ZINC000788521655 625205341 /nfs/dbraw/zinc/20/53/41/625205341.db2.gz WBJHHLVCHHWJPO-SJCJKPOMSA-N 1 1 322.453 3.194 20 5 DGBDMO Cc1nn(C[N@H+]2CC(C)=C[C@H](C)C2)c2cc([N+](=O)[O-])ccc12 ZINC000797417304 626141250 /nfs/dbraw/zinc/14/12/50/626141250.db2.gz NGBMVYOFOKSSPW-NSHDSACASA-N 1 1 300.362 3.108 20 5 DGBDMO CC1=C[C@H](C)C[N@H+](CC(=O)Nc2ccc(Cl)c([N+](=O)[O-])c2)C1 ZINC000797526521 626150695 /nfs/dbraw/zinc/15/06/95/626150695.db2.gz SLUUGPFJDJLWER-JTQLQIEISA-N 1 1 323.780 3.085 20 5 DGBDMO CC1=C[C@H](C)C[N@@H+](CC(=O)Nc2ccc(Cl)c([N+](=O)[O-])c2)C1 ZINC000797526521 626150697 /nfs/dbraw/zinc/15/06/97/626150697.db2.gz SLUUGPFJDJLWER-JTQLQIEISA-N 1 1 323.780 3.085 20 5 DGBDMO COc1cc([N+](=O)[O-])ccc1C[N@@H+](C)CCc1ccccc1F ZINC000797518458 626150856 /nfs/dbraw/zinc/15/08/56/626150856.db2.gz AMJCJUGXTNOKNH-UHFFFAOYSA-N 1 1 318.348 3.417 20 5 DGBDMO O=[N+]([O-])c1ccc(F)cc1C[N@H+]1CC[C@@H](c2ccccn2)C1 ZINC000799196810 626280735 /nfs/dbraw/zinc/28/07/35/626280735.db2.gz XMKVHXBWVTUHQJ-GFCCVEGCSA-N 1 1 301.321 3.118 20 5 DGBDMO C[N@@H+](CCOCCO)Cc1c2ccccc2cc2ccccc21 ZINC000800545409 626367243 /nfs/dbraw/zinc/36/72/43/626367243.db2.gz QHQDZMBJCSLEPA-UHFFFAOYSA-N 1 1 309.409 3.434 20 5 DGBDMO CC[N@H+]1CC[C@@H](N(C)Cc2ccc([N+](=O)[O-])c(F)c2)C[C@H]1C ZINC000801519397 626407356 /nfs/dbraw/zinc/40/73/56/626407356.db2.gz NDTYGDYVWNHLSV-TZMCWYRMSA-N 1 1 309.385 3.039 20 5 DGBDMO C[C@@H]1CC[C@H](C)[N@@H+]1[C@H]1CCCN(c2ccc(N)cc2[N+](=O)[O-])C1 ZINC000804357222 626673062 /nfs/dbraw/zinc/67/30/62/626673062.db2.gz ADHHMQWSKRNPMT-GUTXKFCHSA-N 1 1 318.421 3.019 20 5 DGBDMO C[C@@H](CNc1ccc(N)cc1[N+](=O)[O-])[N@@H+](C)Cc1ccccc1 ZINC000804445871 626680158 /nfs/dbraw/zinc/68/01/58/626680158.db2.gz RUYWZYCCHLKTQO-ZDUSSCGKSA-N 1 1 314.389 3.109 20 5 DGBDMO CCCC[N@@H+](CC)CC(=O)Nc1cc(Cl)ccc1[N+](=O)[O-] ZINC000131910456 626688322 /nfs/dbraw/zinc/68/83/22/626688322.db2.gz XLUYVZUHCRZWCU-UHFFFAOYSA-N 1 1 313.785 3.309 20 5 DGBDMO CC(=O)c1ccc([N+](=O)[O-])cc1NCC[N@@H+]1CCCC[C@@H]1C ZINC000807926042 626778243 /nfs/dbraw/zinc/77/82/43/626778243.db2.gz FEQPWJXSSWLJSN-LBPRGKRZSA-N 1 1 305.378 3.084 20 5 DGBDMO C[N@@H+](Cn1nccc1[N+](=O)[O-])[C@@H]1CCCC[C@H]1c1ccccc1 ZINC000840182105 626923218 /nfs/dbraw/zinc/92/32/18/626923218.db2.gz NQXRFJLJDZTHFG-JKSUJKDBSA-N 1 1 314.389 3.407 20 5 DGBDMO C[C@H]1CN(Cc2cc(Cl)cc(Cl)c2[N+](=O)[O-])CC[N@H+]1C ZINC000809968233 626963723 /nfs/dbraw/zinc/96/37/23/626963723.db2.gz RMXMJDIPOMEKJU-VIFPVBQESA-N 1 1 318.204 3.038 20 5 DGBDMO O=C(O[C@@H]1CC[N@H+]2CCC[C@@H]2C1)c1cc(Cl)cc([N+](=O)[O-])c1 ZINC000810852007 627055961 /nfs/dbraw/zinc/05/59/61/627055961.db2.gz OLOBPDBNHGFFAU-TZMCWYRMSA-N 1 1 324.764 3.032 20 5 DGBDMO O=[N+]([O-])c1ncccc1C[N@H+]1CC[C@H](c2cccc(F)c2)C1 ZINC000885989209 627077342 /nfs/dbraw/zinc/07/73/42/627077342.db2.gz YLFATUFYKXSPEZ-ZDUSSCGKSA-N 1 1 301.321 3.118 20 5 DGBDMO O=[N+]([O-])c1ncccc1C[N@H+]1CCC[C@@H](Cc2ccccc2)C1 ZINC000886000064 627080155 /nfs/dbraw/zinc/08/01/55/627080155.db2.gz UJAIWQCOLJZPRU-INIZCTEOSA-N 1 1 311.385 3.445 20 5 DGBDMO O=[N+]([O-])c1ncccc1C[N@@H+](CCc1ccc(F)cc1)C1CC1 ZINC000886014281 627083414 /nfs/dbraw/zinc/08/34/14/627083414.db2.gz DFSGIQFQDNIQRI-UHFFFAOYSA-N 1 1 315.348 3.336 20 5 DGBDMO O=[N+]([O-])c1ncccc1C[N@@H+]1CCC[C@@H](Nc2ccccc2)C1 ZINC000886075006 627099202 /nfs/dbraw/zinc/09/92/02/627099202.db2.gz AWFYFFJQPSCSSA-MRXNPFEDSA-N 1 1 312.373 3.066 20 5 DGBDMO O=[N+]([O-])c1ncccc1C[N@H+]1CCC[C@@H](Nc2ccccc2)C1 ZINC000886075006 627099203 /nfs/dbraw/zinc/09/92/03/627099203.db2.gz AWFYFFJQPSCSSA-MRXNPFEDSA-N 1 1 312.373 3.066 20 5 DGBDMO CC1(C)[C@@H](C(F)(F)F)CC[N@@H+]1Cc1cccnc1[N+](=O)[O-] ZINC000886164252 627115800 /nfs/dbraw/zinc/11/58/00/627115800.db2.gz GENZCFHXXXSBIT-JTQLQIEISA-N 1 1 303.284 3.153 20 5 DGBDMO CC1(C)[C@@H](C(F)(F)F)CC[N@H+]1Cc1cccnc1[N+](=O)[O-] ZINC000886164252 627115802 /nfs/dbraw/zinc/11/58/02/627115802.db2.gz GENZCFHXXXSBIT-JTQLQIEISA-N 1 1 303.284 3.153 20 5 DGBDMO O=[N+]([O-])c1ncccc1C[N@H+]1CCC[C@H]1COc1ccccc1 ZINC000886226789 627123923 /nfs/dbraw/zinc/12/39/23/627123923.db2.gz RONORDPORRBBLR-HNNXBMFYSA-N 1 1 313.357 3.033 20 5 DGBDMO O=[N+]([O-])c1ncccc1C[NH2+]C1(c2ccccc2F)CCC1 ZINC000886265856 627127848 /nfs/dbraw/zinc/12/78/48/627127848.db2.gz SZQGKDDIHZGPCR-UHFFFAOYSA-N 1 1 301.321 3.298 20 5 DGBDMO C[C@H]1C[N@@H+](Cc2cccnc2[N+](=O)[O-])CCc2ccc(F)cc21 ZINC000886268988 627128404 /nfs/dbraw/zinc/12/84/04/627128404.db2.gz HQARANPUEZBYMC-LBPRGKRZSA-N 1 1 315.348 3.291 20 5 DGBDMO C[C@@H](c1cccc([N+](=O)[O-])c1)[N@H+]1CCC[C@H](c2ncccn2)C1 ZINC000886676744 627187363 /nfs/dbraw/zinc/18/73/63/627187363.db2.gz LIVLCHFUUNKDLG-ZFWWWQNUSA-N 1 1 312.373 3.325 20 5 DGBDMO O=[N+]([O-])c1ccc(C[N@H+]2CC[C@@H]([C@H]3CCCO3)C2)c(Cl)c1 ZINC000886822697 627208736 /nfs/dbraw/zinc/20/87/36/627208736.db2.gz UETOBWBIMFZEGD-IUODEOHRSA-N 1 1 310.781 3.249 20 5 DGBDMO CC(C)[C@H](C)C(=O)O[C@H]1CC[N@H+](Cc2cccc([N+](=O)[O-])c2)C1 ZINC000813171633 627461540 /nfs/dbraw/zinc/46/15/40/627461540.db2.gz OECLILJBGTWMBO-BBRMVZONSA-N 1 1 320.389 3.004 20 5 DGBDMO CC(C)[C@H](C)C(=O)O[C@H]1CC[N@@H+](Cc2cccc([N+](=O)[O-])c2)C1 ZINC000813171633 627461541 /nfs/dbraw/zinc/46/15/41/627461541.db2.gz OECLILJBGTWMBO-BBRMVZONSA-N 1 1 320.389 3.004 20 5 DGBDMO CC/C=C(\C)C(=O)O[C@H]1CC[N@H+](Cc2cccc([N+](=O)[O-])c2)C1 ZINC000813173860 627461642 /nfs/dbraw/zinc/46/16/42/627461642.db2.gz LMXFDAJDWOORJE-RBBXRFMQSA-N 1 1 318.373 3.069 20 5 DGBDMO CC/C=C(\C)C(=O)O[C@H]1CC[N@@H+](Cc2cccc([N+](=O)[O-])c2)C1 ZINC000813173860 627461643 /nfs/dbraw/zinc/46/16/43/627461643.db2.gz LMXFDAJDWOORJE-RBBXRFMQSA-N 1 1 318.373 3.069 20 5 DGBDMO Cc1ccc(N2CC[N@H+](C3CCC3)C[C@H](C)C2)c([N+](=O)[O-])c1 ZINC000813630709 627504508 /nfs/dbraw/zinc/50/45/08/627504508.db2.gz OZXRVFPMALDZHS-AWEZNQCLSA-N 1 1 303.406 3.214 20 5 DGBDMO C[C@@H]1CN(c2ccc([N+](=O)[O-])cc2C(F)(F)F)C[C@H](C)[N@@H+]1C ZINC000814929202 627609152 /nfs/dbraw/zinc/60/91/52/627609152.db2.gz OFPKENGVJVKVDR-AOOOYVTPSA-N 1 1 317.311 3.142 20 5 DGBDMO C[C@@H]([NH2+]CC1(N(C)C)CCCCC1)c1ccc(N)c([N+](=O)[O-])c1 ZINC000815553546 627684109 /nfs/dbraw/zinc/68/41/09/627684109.db2.gz CNQPQTJJYFZLLU-CYBMUJFWSA-N 1 1 320.437 3.092 20 5 DGBDMO C[C@H](c1ccc([N+](=O)[O-])cc1)[N@@H+]1CCOc2ccc(N)cc2C1 ZINC000925751246 627787715 /nfs/dbraw/zinc/78/77/15/627787715.db2.gz XTGKSQVWMKNDRN-GFCCVEGCSA-N 1 1 313.357 3.133 20 5 DGBDMO C[C@H](c1ccc([N+](=O)[O-])cc1)[N@H+]1CCOc2ccc(N)cc2C1 ZINC000925751246 627787716 /nfs/dbraw/zinc/78/77/16/627787716.db2.gz XTGKSQVWMKNDRN-GFCCVEGCSA-N 1 1 313.357 3.133 20 5 DGBDMO O=[N+]([O-])c1ccc(Cl)cc1C[N@H+]1CC[C@H](O)CC12CCC2 ZINC000817293265 627878807 /nfs/dbraw/zinc/87/88/07/627878807.db2.gz YRWMPMIVKOBHGP-ZDUSSCGKSA-N 1 1 310.781 3.128 20 5 DGBDMO O=[N+]([O-])c1ccc(Cl)cc1C[N@@H+]1CC[C@H](O)CC12CCC2 ZINC000817293265 627878812 /nfs/dbraw/zinc/87/88/12/627878812.db2.gz YRWMPMIVKOBHGP-ZDUSSCGKSA-N 1 1 310.781 3.128 20 5 DGBDMO C[C@H]([NH2+]Cc1cc(C2CC2)n(C)n1)c1ccc([N+](=O)[O-])cc1 ZINC000927112097 628018232 /nfs/dbraw/zinc/01/82/32/628018232.db2.gz GEXMNRKQBHVDME-NSHDSACASA-N 1 1 300.362 3.057 20 5 DGBDMO C[N@@H+](Cc1ccccc1[N+](=O)[O-])C[C@@H]1CC[C@@H](C(F)(F)F)O1 ZINC000929165998 628218858 /nfs/dbraw/zinc/21/88/58/628218858.db2.gz YWRHAHUZMPPIGR-AAEUAGOBSA-N 1 1 318.295 3.137 20 5 DGBDMO C[N@H+](Cc1ccccc1[N+](=O)[O-])C[C@@H]1CC[C@@H](C(F)(F)F)O1 ZINC000929165998 628218861 /nfs/dbraw/zinc/21/88/61/628218861.db2.gz YWRHAHUZMPPIGR-AAEUAGOBSA-N 1 1 318.295 3.137 20 5 DGBDMO O=[N+]([O-])c1ccc(Cl)c(C[N@@H+]2CCC[C@@H]2[C@H]2CCC[C@H]2O)c1 ZINC000824716699 628687134 /nfs/dbraw/zinc/68/71/34/628687134.db2.gz XVMGKJYVUYVNQU-FVQBIDKESA-N 1 1 324.808 3.374 20 5 DGBDMO O=[N+]([O-])c1ccc(C[NH2+][C@@H](CCO)c2ccccc2F)cc1F ZINC000830355315 629257516 /nfs/dbraw/zinc/25/75/16/629257516.db2.gz GJLAHDYEUVUGKP-HNNXBMFYSA-N 1 1 322.311 3.086 20 5 DGBDMO CC(C)(C)C[C@H]1CC[N@@H+](C[C@H](O)c2ccc([N+](=O)[O-])cc2)C1 ZINC000832727675 629508327 /nfs/dbraw/zinc/50/83/27/629508327.db2.gz WLGVTWNPVSWRDB-CJNGLKHVSA-N 1 1 306.406 3.386 20 5 DGBDMO CCC[C@H]([NH2+][C@H]1CCn2ccnc21)c1cccc([N+](=O)[O-])c1 ZINC000834834979 629787952 /nfs/dbraw/zinc/78/79/52/629787952.db2.gz GYDSEWOLBGJVTC-GJZGRUSLSA-N 1 1 300.362 3.367 20 5 DGBDMO OC[C@H]1C[N@@H+](Cc2c3ccccc3cc3ccccc32)CC[C@H]1O ZINC000840976483 630390450 /nfs/dbraw/zinc/39/04/50/630390450.db2.gz WWKZMHVBMSZUAQ-DYESRHJHSA-N 1 1 321.420 3.168 20 5 DGBDMO C[C@H](C(=O)OC[C@@H]1CC[N@H+]1C(C)(C)C)c1cccc([N+](=O)[O-])c1 ZINC000845734520 631193014 /nfs/dbraw/zinc/19/30/14/631193014.db2.gz GBCZZEQEGWQUSY-WFASDCNBSA-N 1 1 320.389 3.114 20 5 DGBDMO O=[N+]([O-])c1ccc(F)cc1C[N@@H+]1CCC[C@@H](OC2CCC2)C1 ZINC000847038295 631387482 /nfs/dbraw/zinc/38/74/82/631387482.db2.gz SYCFQHGSQMISKR-OAHLLOKOSA-N 1 1 308.353 3.267 20 5 DGBDMO O=[N+]([O-])c1ccc(F)cc1C[N@H+]1CCC[C@@H](OC2CCC2)C1 ZINC000847038295 631387488 /nfs/dbraw/zinc/38/74/88/631387488.db2.gz SYCFQHGSQMISKR-OAHLLOKOSA-N 1 1 308.353 3.267 20 5 DGBDMO O=[N+]([O-])c1ccccc1-c1cnn(C[N@H+]2CCC[C@H]2C2CC2)c1 ZINC000848477168 631667973 /nfs/dbraw/zinc/66/79/73/631667973.db2.gz QGPDFEPBKOVUEC-INIZCTEOSA-N 1 1 312.373 3.290 20 5 DGBDMO C[C@@H]1C[C@@H]1C(N)=[NH+]OCc1cc([N+](=O)[O-])ccc1C(F)(F)F ZINC000848516952 631672998 /nfs/dbraw/zinc/67/29/98/631672998.db2.gz BTDNAWUROUEWBG-XCBNKYQSSA-N 1 1 317.267 3.268 20 5 DGBDMO O=[N+]([O-])c1ccc(CN[C@@H]2CCC[N@@H+]3CCCC[C@@H]23)cc1Cl ZINC000848927636 631791183 /nfs/dbraw/zinc/79/11/83/631791183.db2.gz JLCUUYVTQHAGNQ-ZBFHGGJFSA-N 1 1 323.824 3.355 20 5 DGBDMO O=[N+]([O-])c1ccc(CN[C@@H]2CCC[N@H+]3CCCC[C@@H]23)cc1Cl ZINC000848927636 631791186 /nfs/dbraw/zinc/79/11/86/631791186.db2.gz JLCUUYVTQHAGNQ-ZBFHGGJFSA-N 1 1 323.824 3.355 20 5 DGBDMO O=[N+]([O-])c1ccc(C[NH2+][C@H]2C[C@@H](O)c3ccccc32)c(F)c1 ZINC000850372344 632130119 /nfs/dbraw/zinc/13/01/19/632130119.db2.gz TUPOGWGCUZMZDE-JKSUJKDBSA-N 1 1 302.305 3.002 20 5 DGBDMO C[C@H]1CCC[N@@H+](Cc2ccc(Cl)c([N+](=O)[O-])c2)[C@@H]1CCO ZINC000852458146 632606024 /nfs/dbraw/zinc/60/60/24/632606024.db2.gz BMYDAVKIWORVBH-SMDDNHRTSA-N 1 1 312.797 3.231 20 5 DGBDMO O=[N+]([O-])c1cccc([C@@H](O)C[N@H+]2CCC=C(c3ccccc3)C2)c1 ZINC000792941200 660995649 /nfs/dbraw/zinc/99/56/49/660995649.db2.gz SVBIZUJFQXZFGY-IBGZPJMESA-N 1 1 324.380 3.418 20 5 DGBDMO CC(C)[C@H]1[N@@H+](C[C@H](O)c2ccc([N+](=O)[O-])cc2)CC12CCC2 ZINC000793004378 661000171 /nfs/dbraw/zinc/00/01/71/661000171.db2.gz LJBZJJMALIORIB-JKSUJKDBSA-N 1 1 304.390 3.139 20 5 DGBDMO C[C@]1(c2ccccc2)CCC[N@@H+](Cn2cc([N+](=O)[O-])cn2)CC1 ZINC000795670499 661166874 /nfs/dbraw/zinc/16/68/74/661166874.db2.gz IOZLXKOPMSIANB-KRWDZBQOSA-N 1 1 314.389 3.193 20 5 DGBDMO C[C@H](CN1CCCCC1)[NH2+]Cc1ccc([N+](=O)[O-])cc1Cl ZINC000049963650 655628358 /nfs/dbraw/zinc/62/83/58/655628358.db2.gz UUMJZXJIBYLBHU-GFCCVEGCSA-N 1 1 311.813 3.212 20 5 DGBDMO O=[N+]([O-])c1cnn(C[N@H+]2C[C@H](c3ccccc3)[C@@H]3CCC[C@H]32)c1 ZINC000795686695 661167646 /nfs/dbraw/zinc/16/76/46/661167646.db2.gz HXXFMOFEQSQCAF-GVDBMIGSSA-N 1 1 312.373 3.017 20 5 DGBDMO O=[N+]([O-])c1ccc2cnn(C[N@@H+]3C[C@@H]4CCCC[C@@H]4C3)c2c1 ZINC000176194052 655742912 /nfs/dbraw/zinc/74/29/12/655742912.db2.gz WRMTZOYAJTVBGC-OKILXGFUSA-N 1 1 300.362 3.024 20 5 DGBDMO C[N@H+](CCOCc1ccccc1)Cc1cc(F)ccc1[N+](=O)[O-] ZINC000176326783 655748140 /nfs/dbraw/zinc/74/81/40/655748140.db2.gz JPTZAOKIDSSAJW-UHFFFAOYSA-N 1 1 318.348 3.383 20 5 DGBDMO C[N@@H+](CCOCc1ccccc1)Cc1cc(F)ccc1[N+](=O)[O-] ZINC000176326783 655748142 /nfs/dbraw/zinc/74/81/42/655748142.db2.gz JPTZAOKIDSSAJW-UHFFFAOYSA-N 1 1 318.348 3.383 20 5 DGBDMO O=[N+]([O-])c1ccccc1C[N@H+]1CCCC[C@H]([C@@H]2CCOC2)C1 ZINC000934834322 655807957 /nfs/dbraw/zinc/80/79/57/655807957.db2.gz QAJFYGIIKTUQFX-GOEBONIOSA-N 1 1 304.390 3.233 20 5 DGBDMO C[C@H]1C[C@H](Nc2cc(Cl)c(F)cc2[N+](=O)[O-])CC[N@H+]1C ZINC000235690946 655923092 /nfs/dbraw/zinc/92/30/92/655923092.db2.gz NXWHICIKQCDUNF-DTWKUNHWSA-N 1 1 301.749 3.282 20 5 DGBDMO CC(C)CO[C@@H]1CC[N@H+](Cc2cc([N+](=O)[O-])ccc2Cl)C1 ZINC000177415142 655924034 /nfs/dbraw/zinc/92/40/34/655924034.db2.gz SIMGRWCNGKNXLC-CQSZACIVSA-N 1 1 312.797 3.495 20 5 DGBDMO CC(C)CO[C@@H]1CC[N@@H+](Cc2cc([N+](=O)[O-])ccc2Cl)C1 ZINC000177415142 655924035 /nfs/dbraw/zinc/92/40/35/655924035.db2.gz SIMGRWCNGKNXLC-CQSZACIVSA-N 1 1 312.797 3.495 20 5 DGBDMO Cc1cc(C)c([N+](=O)[O-])cc1NC(=O)[C@@H]1CCC[N@@H+]1C(C)C ZINC000929230958 661289970 /nfs/dbraw/zinc/28/99/70/661289970.db2.gz DVODFJIJSMEWOA-AWEZNQCLSA-N 1 1 305.378 3.023 20 5 DGBDMO C[C@@]1(C[NH3+])CCN(Cc2ccc(-c3ccccc3[N+](=O)[O-])o2)C1 ZINC000261678282 656962024 /nfs/dbraw/zinc/96/20/24/656962024.db2.gz GTMVYLHTMUXEAH-KRWDZBQOSA-N 1 1 315.373 3.026 20 5 DGBDMO Cc1cccc([N+](=O)[O-])c1NC(=O)C[NH+]1CCCCCCC1 ZINC000007486846 657552044 /nfs/dbraw/zinc/55/20/44/657552044.db2.gz OHBHLMLUQIDUFB-UHFFFAOYSA-N 1 1 305.378 3.108 20 5 DGBDMO C[C@H]1C[N@@H+](Cc2ccc(-c3ccc([N+](=O)[O-])cc3)s2)C[C@H]1O ZINC000897683620 658483155 /nfs/dbraw/zinc/48/31/55/658483155.db2.gz FQDSMPXFPXCDET-XHDPSFHLSA-N 1 1 318.398 3.136 20 5 DGBDMO C[C@@H]1C[N@@H+](Cc2ccc(-c3ccccc3[N+](=O)[O-])s2)C[C@H]1O ZINC000897684592 658483983 /nfs/dbraw/zinc/48/39/83/658483983.db2.gz SDHZUFZIHIAGMS-IAQYHMDHSA-N 1 1 318.398 3.136 20 5 DGBDMO CC[C@H]1C[N@@H+](Cn2nccc2[N+](=O)[O-])CC[C@@H]1c1ccccc1 ZINC000173900896 659404743 /nfs/dbraw/zinc/40/47/43/659404743.db2.gz VJVCTLDKRUYDQR-HOCLYGCPSA-N 1 1 314.389 3.265 20 5 DGBDMO CC[N@@H+](Cn1cnc(-c2ccc([N+](=O)[O-])cc2)n1)[C@@H](C)C(C)C ZINC000064111862 659442381 /nfs/dbraw/zinc/44/23/81/659442381.db2.gz UKRZHMLCPMMMNS-ZDUSSCGKSA-N 1 1 317.393 3.177 20 5 DGBDMO CC12CC(C1)C[N@@H+]2Cc1c(Br)cccc1[N+](=O)[O-] ZINC000931081398 661450559 /nfs/dbraw/zinc/45/05/59/661450559.db2.gz ZYSLUXNHZJOREC-UHFFFAOYSA-N 1 1 311.179 3.342 20 5 DGBDMO CC12CC(C1)C[N@H+]2Cc1c(Br)cccc1[N+](=O)[O-] ZINC000931081398 661450560 /nfs/dbraw/zinc/45/05/60/661450560.db2.gz ZYSLUXNHZJOREC-UHFFFAOYSA-N 1 1 311.179 3.342 20 5 DGBDMO CC12CC(C1)C[N@@H+]2Cc1cc([N+](=O)[O-])ccc1Br ZINC000931080063 661450571 /nfs/dbraw/zinc/45/05/71/661450571.db2.gz PILDOMTWDCJIQH-UHFFFAOYSA-N 1 1 311.179 3.342 20 5 DGBDMO CC12CC(C1)C[N@H+]2Cc1cc([N+](=O)[O-])ccc1Br ZINC000931080063 661450572 /nfs/dbraw/zinc/45/05/72/661450572.db2.gz PILDOMTWDCJIQH-UHFFFAOYSA-N 1 1 311.179 3.342 20 5 DGBDMO O=[N+]([O-])c1ccc(Br)c(C[N@@H+]2CC[C@H](CF)C2)c1 ZINC000931688716 661498566 /nfs/dbraw/zinc/49/85/66/661498566.db2.gz LAXKUNJPFDAEJM-SECBINFHSA-N 1 1 317.158 3.149 20 5 DGBDMO O=[N+]([O-])c1ccc(Br)c(C[N@H+]2CC[C@H](CF)C2)c1 ZINC000931688716 661498567 /nfs/dbraw/zinc/49/85/67/661498567.db2.gz LAXKUNJPFDAEJM-SECBINFHSA-N 1 1 317.158 3.149 20 5 DGBDMO Cc1ccc(C[N@@H+]2CCC[C@H](c3ccn(C)n3)C2)cc1[N+](=O)[O-] ZINC000932133849 661540632 /nfs/dbraw/zinc/54/06/32/661540632.db2.gz XYWGBEIFPPFSHL-HNNXBMFYSA-N 1 1 314.389 3.016 20 5 DGBDMO C[C@@H](c1ccccc1)[C@H]1CCC[N@H+]1Cc1cn(C)nc1[N+](=O)[O-] ZINC000932275375 661555819 /nfs/dbraw/zinc/55/58/19/661555819.db2.gz OXOFTKJHZBHBOP-XJKSGUPXSA-N 1 1 314.389 3.096 20 5 DGBDMO COc1cc([N+](=O)[O-])ccc1C[NH2+][C@H](c1ccccn1)C1CC1 ZINC000932382883 661564776 /nfs/dbraw/zinc/56/47/76/661564776.db2.gz CVYBESUDEMWFCE-KRWDZBQOSA-N 1 1 313.357 3.239 20 5 DGBDMO O=[N+]([O-])c1ccc(C[NH+]2CCC(F)(C3CC3)CC2)c([N+](=O)[O-])c1 ZINC000932626803 661587664 /nfs/dbraw/zinc/58/76/64/661587664.db2.gz MHAMSYQRKUGSMG-UHFFFAOYSA-N 1 1 323.324 3.217 20 5 DGBDMO O=[N+]([O-])c1ccc(C[NH+]2CCC(O)(C3CCC3)CC2)c(Cl)c1 ZINC000932820745 661599548 /nfs/dbraw/zinc/59/95/48/661599548.db2.gz VUAQTEPRKBILNN-UHFFFAOYSA-N 1 1 324.808 3.375 20 5 DGBDMO CC[C@H](NC(=O)[C@@H]1CCC[N@H+]1C(C)C)c1cccc([N+](=O)[O-])c1 ZINC000934208965 661688152 /nfs/dbraw/zinc/68/81/52/661688152.db2.gz HKUNWHLGPOFZAG-HOTGVXAUSA-N 1 1 319.405 3.035 20 5 DGBDMO O=[N+]([O-])c1ccc(CC[N@H+]2CC[C@H](Cc3nccs3)C2)cc1 ZINC000934333899 661698771 /nfs/dbraw/zinc/69/87/71/661698771.db2.gz RNCHCSVMOLDPCR-CQSZACIVSA-N 1 1 317.414 3.158 20 5 DGBDMO O=[N+]([O-])c1cc(F)ccc1C[N@H+]1CCCC[C@H]([C@@H]2CCOC2)C1 ZINC000934834747 661739038 /nfs/dbraw/zinc/73/90/38/661739038.db2.gz RXVDLPIPQFGGJF-DZGCQCFKSA-N 1 1 322.380 3.373 20 5 DGBDMO CCC(=O)c1ccc(N[C@H]2C[N@H+](C3CC3)C[C@@H]2C)c([N+](=O)[O-])c1 ZINC000480064336 1178061532 /nfs/dbraw/zinc/06/15/32/1178061532.db2.gz STOQBAGMULCFRU-NHYWBVRUSA-N 1 1 317.389 3.082 20 5 DGBDMO O=[N+]([O-])c1ccc(Cl)cc1C[NH+]1CC(CC2CCOCC2)C1 ZINC001331567725 1178248415 /nfs/dbraw/zinc/24/84/15/1178248415.db2.gz YJNFZVPLQJMAFI-UHFFFAOYSA-N 1 1 324.808 3.497 20 5 DGBDMO Cc1ccc([C@H](C)N[C@H]2CCCC[C@@H]2[NH+](C)C)cc1[N+](=O)[O-] ZINC001333478266 1178611768 /nfs/dbraw/zinc/61/17/68/1178611768.db2.gz LCPAARJNDXDRKT-BPUTZDHNSA-N 1 1 305.422 3.427 20 5 DGBDMO C[C@@H](C(=O)Nc1cccc([N+](=O)[O-])c1)[N@@H+]1CC(C)(C)C1(C)C ZINC001334726153 1178786685 /nfs/dbraw/zinc/78/66/85/1178786685.db2.gz AJIMZWFHSBBTHX-NSHDSACASA-N 1 1 305.378 3.042 20 5 DGBDMO C[C@@H](C(=O)Nc1cccc([N+](=O)[O-])c1)[N@H+]1CC(C)(C)C1(C)C ZINC001334726153 1178786688 /nfs/dbraw/zinc/78/66/88/1178786688.db2.gz AJIMZWFHSBBTHX-NSHDSACASA-N 1 1 305.378 3.042 20 5 DGBDMO CC[N@@H+](CC[N+](=O)[O-])[C@H](C)Cc1ccc(C(F)(F)F)cc1 ZINC001643905256 1195062166 /nfs/dbraw/zinc/06/21/66/1195062166.db2.gz OKTDMMJPYBEWPT-LLVKDONJSA-N 1 1 304.312 3.235 20 5 DGBDMO O=[N+]([O-])c1ccc(CN2CCCC3(CC[NH2+]CC3)C2)c(Cl)c1 ZINC001345955112 1179629326 /nfs/dbraw/zinc/62/93/26/1179629326.db2.gz BJTQZEKWBNIICQ-UHFFFAOYSA-N 1 1 323.824 3.214 20 5 DGBDMO O=[N+]([O-])c1ccc(C[N@@H+]2CC[C@H](CF)C2)c(Br)c1 ZINC001352943524 1180427905 /nfs/dbraw/zinc/42/79/05/1180427905.db2.gz ARSIDHAIHOSVJT-SECBINFHSA-N 1 1 317.158 3.149 20 5 DGBDMO O=[N+]([O-])c1ccc(C[N@H+]2CC[C@H](CF)C2)c(Br)c1 ZINC001352943524 1180427908 /nfs/dbraw/zinc/42/79/08/1180427908.db2.gz ARSIDHAIHOSVJT-SECBINFHSA-N 1 1 317.158 3.149 20 5 DGBDMO CC[N@H+]1CCC[C@H]1CNc1ncc([N+](=O)[O-])c2ccccc21 ZINC001472637597 1180781528 /nfs/dbraw/zinc/78/15/28/1180781528.db2.gz ZXVVNUGTOBBMDJ-LBPRGKRZSA-N 1 1 300.362 3.039 20 5 DGBDMO CC1(C)CC[C@@H](C[N@@H+]2CCc3ccc([N+](=O)[O-])cc3C2)OC1 ZINC001459648189 1182601972 /nfs/dbraw/zinc/60/19/72/1182601972.db2.gz DGEKOKGPGRUUFC-INIZCTEOSA-N 1 1 304.390 3.158 20 5 DGBDMO CC1(C)CC[C@@H](C[N@H+]2CCc3ccc([N+](=O)[O-])cc3C2)OC1 ZINC001459648189 1182601975 /nfs/dbraw/zinc/60/19/75/1182601975.db2.gz DGEKOKGPGRUUFC-INIZCTEOSA-N 1 1 304.390 3.158 20 5 DGBDMO Cn1cc(C[N@H+]2CCC[C@H]2CCC2CCCC2)c([N+](=O)[O-])n1 ZINC001459769337 1182613229 /nfs/dbraw/zinc/61/32/29/1182613229.db2.gz GROWIQBLQWFVNU-HNNXBMFYSA-N 1 1 306.410 3.263 20 5 DGBDMO CCOc1cc(C[N@@H+]2CC[C@H]3[C@@H](C2)C3(F)F)ccc1[N+](=O)[O-] ZINC001459799498 1182618161 /nfs/dbraw/zinc/61/81/61/1182618161.db2.gz QUQIMDIGIPOEKK-NWDGAFQWSA-N 1 1 312.316 3.081 20 5 DGBDMO CCOc1cc(C[N@H+]2CC[C@H]3[C@@H](C2)C3(F)F)ccc1[N+](=O)[O-] ZINC001459799498 1182618166 /nfs/dbraw/zinc/61/81/66/1182618166.db2.gz QUQIMDIGIPOEKK-NWDGAFQWSA-N 1 1 312.316 3.081 20 5 DGBDMO O=[N+]([O-])c1cccc(OCC[N@H+]2C[C@@H](C3CC3)C[C@H]2C2CC2)c1 ZINC001460860878 1182732507 /nfs/dbraw/zinc/73/25/07/1182732507.db2.gz PDDPBGZNQVBLCQ-YJBOKZPZSA-N 1 1 316.401 3.484 20 5 DGBDMO O=[N+]([O-])c1ccc(OCC[N@H+]2CCCC[C@@H]2[C@H]2CCCO2)cc1 ZINC001460957402 1182745588 /nfs/dbraw/zinc/74/55/88/1182745588.db2.gz ZQEHLDGJGZMQEN-IAGOWNOFSA-N 1 1 320.389 3.007 20 5 DGBDMO O=[N+]([O-])c1ccc(OCC[N@H+]2CCCC[C@@H]2[C@@H]2CCCO2)cc1 ZINC001460957406 1182745641 /nfs/dbraw/zinc/74/56/41/1182745641.db2.gz ZQEHLDGJGZMQEN-SJORKVTESA-N 1 1 320.389 3.007 20 5 DGBDMO Cc1ccc([N+](=O)[O-])c(C)c1CNCC[NH+]1CCC(C)CC1 ZINC001461046048 1182761038 /nfs/dbraw/zinc/76/10/38/1182761038.db2.gz VXXNHTCPCSSZOI-UHFFFAOYSA-N 1 1 305.422 3.033 20 5 DGBDMO O=[N+]([O-])c1cc(C[NH2+]Cc2cnsc2)cc(C(F)(F)F)c1 ZINC001461487022 1182819361 /nfs/dbraw/zinc/81/93/61/1182819361.db2.gz TWMZSMLELXEYFG-UHFFFAOYSA-N 1 1 317.292 3.360 20 5 DGBDMO CCC[C@@H]1CCC[N@@H+](Cc2ccc(O)c(OC)c2[N+](=O)[O-])C1 ZINC001461914807 1182875680 /nfs/dbraw/zinc/87/56/80/1182875680.db2.gz QXWFTLMEMKMWSX-GFCCVEGCSA-N 1 1 308.378 3.321 20 5 DGBDMO CC[C@H]1C[N@@H+](CC)CCN1Cc1ccc([N+](=O)[O-])c(Cl)c1 ZINC001621334598 1193201381 /nfs/dbraw/zinc/20/13/81/1193201381.db2.gz QLCPTEQVYNLQNK-ZDUSSCGKSA-N 1 1 311.813 3.164 20 5 DGBDMO C[C@H](C[N@H+]1CCC[C@H](C)C1)Nc1nc2cc([N+](=O)[O-])ccc2[nH]1 ZINC001472668753 1183663614 /nfs/dbraw/zinc/66/36/14/1183663614.db2.gz XJBOZKKATWSJSK-NWDGAFQWSA-N 1 1 317.393 3.003 20 5 DGBDMO C[N@H+]1CCCC(C)(C)[C@H]1CNc1ccc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC001472776468 1183679994 /nfs/dbraw/zinc/67/99/94/1183679994.db2.gz VHHCESHBUITPKV-CQSZACIVSA-N 1 1 322.365 3.035 20 5 DGBDMO Cc1cc(NC[C@H]2CC[N@H+]2C2CCCC2)c(F)cc1[N+](=O)[O-] ZINC001472848310 1183689520 /nfs/dbraw/zinc/68/95/20/1183689520.db2.gz ZNCDUECKBWCOCR-CYBMUJFWSA-N 1 1 307.369 3.471 20 5 DGBDMO C[C@@H](C(=O)Nc1ccc([N+](=O)[O-])cc1)[N@H+]1CC[C@H](C)C(C)(C)C1 ZINC001473365346 1183749237 /nfs/dbraw/zinc/74/92/37/1183749237.db2.gz NDXVIMZBEAXSKC-STQMWFEESA-N 1 1 319.405 3.290 20 5 DGBDMO COC(=O)c1ccc([N+](=O)[O-])c(C[N@@H+](C)[C@H]2CCCC[C@@H]2C)c1 ZINC001473383004 1183750316 /nfs/dbraw/zinc/75/03/16/1183750316.db2.gz BWCFKZKNDKALHP-WFASDCNBSA-N 1 1 320.389 3.392 20 5 DGBDMO C[C@]1(c2ccc(C(F)(F)F)cc2)CCC[N@H+]1CC[N+](=O)[O-] ZINC001473722880 1183793092 /nfs/dbraw/zinc/79/30/92/1183793092.db2.gz RFRWSCOQVUJBLZ-CYBMUJFWSA-N 1 1 302.296 3.293 20 5 DGBDMO O=[N+]([O-])c1ccc(CC[N@H+]2CCCSC[C@@H]2C2CC2)cc1 ZINC001473843809 1183810430 /nfs/dbraw/zinc/81/04/30/1183810430.db2.gz MADQMPLFZGIDQT-MRXNPFEDSA-N 1 1 306.431 3.355 20 5 DGBDMO COc1c(O)ccc(C[N@H+]2CC[C@@H](C)C[C@@H](C)C2)c1[N+](=O)[O-] ZINC001474713024 1183966703 /nfs/dbraw/zinc/96/67/03/1183966703.db2.gz PICGYLFNYFMVIS-VXGBXAGGSA-N 1 1 308.378 3.177 20 5 DGBDMO O=[N+]([O-])c1ccc(N2C[C@H]3CC[N@@H+](Cc4ccccc4)[C@H]3C2)cc1 ZINC001612513352 1193453314 /nfs/dbraw/zinc/45/33/14/1193453314.db2.gz PHCXZIXMSMNRST-APWZRJJASA-N 1 1 323.396 3.306 20 5 DGBDMO CC[N@H+]1CC[C@@H]1CNc1cccc(C(F)(F)F)c1[N+](=O)[O-] ZINC001612809723 1193461487 /nfs/dbraw/zinc/46/14/87/1193461487.db2.gz CIEWVCAAFFNSGN-SECBINFHSA-N 1 1 303.284 3.120 20 5 DGBDMO C[N@@H+]1CCN(c2ccc([N+](=O)[O-])cc2Cl)C[C@H]1C(C)(C)C ZINC001612819821 1193461937 /nfs/dbraw/zinc/46/19/37/1193461937.db2.gz DQBMDIVOGXTAPR-AWEZNQCLSA-N 1 1 311.813 3.415 20 5 DGBDMO C[N@H+]1CCN(c2ccc([N+](=O)[O-])cc2Cl)C[C@H]1C(C)(C)C ZINC001612819821 1193461939 /nfs/dbraw/zinc/46/19/39/1193461939.db2.gz DQBMDIVOGXTAPR-AWEZNQCLSA-N 1 1 311.813 3.415 20 5 DGBDMO CC[C@@H]1CC[N@@H+](CCC(=O)Nc2ccccc2[N+](=O)[O-])[C@@H]1C ZINC001617359234 1193566525 /nfs/dbraw/zinc/56/65/25/1193566525.db2.gz FEVDTEWSCULCKM-CHWSQXEVSA-N 1 1 305.378 3.044 20 5 DGBDMO CC(C)Oc1nc(Nc2ccc3[nH+]ccn3c2)ccc1[N+](=O)[O-] ZINC001559243229 1189186104 /nfs/dbraw/zinc/18/61/04/1189186104.db2.gz VDPGNBZJCRBGGW-UHFFFAOYSA-N 1 1 313.317 3.168 20 5 DGBDMO Cc1ccc(NCCNc2ccc(Cl)cc2[N+](=O)[O-])[nH+]c1 ZINC001559286879 1189193152 /nfs/dbraw/zinc/19/31/52/1189193152.db2.gz UACQVXAIVLPDEZ-UHFFFAOYSA-N 1 1 306.753 3.476 20 5 DGBDMO O=[N+]([O-])CC[N@H+]1CCC[C@@H](c2cccc(C(F)(F)F)c2)C1 ZINC001559830721 1189247692 /nfs/dbraw/zinc/24/76/92/1189247692.db2.gz KZFGEOANEMMOEW-GFCCVEGCSA-N 1 1 302.296 3.162 20 5 DGBDMO CC(C)(C)C[C@H]1CC[N@@H+](CCn2cc([N+](=O)[O-])cn2)C1(C)C ZINC001559902645 1189255180 /nfs/dbraw/zinc/25/51/80/1189255180.db2.gz BZVNMLOHZZIOOF-CYBMUJFWSA-N 1 1 308.426 3.328 20 5 DGBDMO CCOc1cc(C[N@@H+]2C[C@@H]3CC=CC[C@@H]3C2)ccc1[N+](=O)[O-] ZINC001560076224 1189275314 /nfs/dbraw/zinc/27/53/14/1189275314.db2.gz YMIAHWUKEYUWSR-GASCZTMLSA-N 1 1 302.374 3.392 20 5 DGBDMO COc1ccc(C[N@@H+]2CCO[C@@H](C(C)(C)C)CC2)cc1[N+](=O)[O-] ZINC001560235237 1189295923 /nfs/dbraw/zinc/29/59/23/1189295923.db2.gz DQOISROQRVYYEU-MRXNPFEDSA-N 1 1 322.405 3.240 20 5 DGBDMO COc1ccc(C[N@H+]2CCO[C@@H](C(C)(C)C)CC2)cc1[N+](=O)[O-] ZINC001560235237 1189295926 /nfs/dbraw/zinc/29/59/26/1189295926.db2.gz DQOISROQRVYYEU-MRXNPFEDSA-N 1 1 322.405 3.240 20 5 DGBDMO Cc1ccc([N+](=O)[O-])c(C)c1CNCC1([NH+](C)C)CCCC1 ZINC001560251948 1189298944 /nfs/dbraw/zinc/29/89/44/1189298944.db2.gz LQFFCVYFUOVQRC-UHFFFAOYSA-N 1 1 305.422 3.176 20 5 DGBDMO Cc1ccc([N+](=O)[O-])c(C)c1CN[C@@H](C)C[NH+]1CCCCC1 ZINC001620715151 1193794412 /nfs/dbraw/zinc/79/44/12/1193794412.db2.gz JWDTZPPAFUCEJI-AWEZNQCLSA-N 1 1 305.422 3.176 20 5 DGBDMO CCC[N@@H+](C)C[C@@H]1CCN(Cc2c(C)ccc([N+](=O)[O-])c2C)C1 ZINC001621113283 1193804857 /nfs/dbraw/zinc/80/48/57/1193804857.db2.gz CPXZOZSSFFBOTI-INIZCTEOSA-N 1 1 319.449 3.375 20 5 DGBDMO C[C@H]1CCCC[N@H+]1CCCNc1nc(Cl)ccc1[N+](=O)[O-] ZINC000036925911 1193923490 /nfs/dbraw/zinc/92/34/90/1193923490.db2.gz DUOQHIDEBCDNAE-NSHDSACASA-N 1 1 312.801 3.320 20 5 DGBDMO COc1cc(NCC[N@H+]2CCC[C@@H]2C)c(Cl)cc1[N+](=O)[O-] ZINC001639551444 1194771315 /nfs/dbraw/zinc/77/13/15/1194771315.db2.gz PARIKOBZNHAPJK-JTQLQIEISA-N 1 1 313.785 3.153 20 5 DGBDMO Cc1cc(NC(=O)CC[N@H+](C)C2CCCCC2)cc([N+](=O)[O-])c1 ZINC001640647012 1194823188 /nfs/dbraw/zinc/82/31/88/1194823188.db2.gz OMOYGDXELXMPCE-UHFFFAOYSA-N 1 1 319.405 3.496 20 5 DGBDMO CCC[N@@H+](Cc1cccnc1[N+](=O)[O-])[C@@H]1C[C@@H](OCC)C1(C)C ZINC001641817401 1194872890 /nfs/dbraw/zinc/87/28/90/1194872890.db2.gz UILYUTNDQZMFQJ-HUUCEWRRSA-N 1 1 321.421 3.405 20 5 DGBDMO C[C@H]1CC[N@@H+](CCOc2cccc([N+](=O)[O-])c2)CC12CCC2 ZINC001642419287 1194909843 /nfs/dbraw/zinc/90/98/43/1194909843.db2.gz DSJRNWZKFZECNN-AWEZNQCLSA-N 1 1 304.390 3.486 20 5 DGBDMO CC[C@@H]1CC[C@H](C)[N@@H+](CC(=O)Nc2cc([N+](=O)[O-])ccc2C)C1 ZINC001643090745 1194969849 /nfs/dbraw/zinc/96/98/49/1194969849.db2.gz XZNJGKNHXDPETM-UONOGXRCSA-N 1 1 319.405 3.352 20 5 DGBDMO O=[N+]([O-])c1ccccc1OCC[N@H+]1C[C@H]2C[C@@]2(c2ccccc2)C1 ZINC001644481758 1195112023 /nfs/dbraw/zinc/11/20/23/1195112023.db2.gz ZGEQOJSYIDZUJY-APWZRJJASA-N 1 1 324.380 3.247 20 5 DGBDMO COc1ccc([N+](=O)[O-])cc1C[N@@H+](C)[C@H]1C[C@](C)(OC)C1(C)C ZINC001644690337 1195127088 /nfs/dbraw/zinc/12/70/88/1195127088.db2.gz BGCHBCBOHUTIQA-RDJZCZTQSA-N 1 1 322.405 3.239 20 5 DGBDMO COc1ccc([N+](=O)[O-])cc1C[N@@H+](C)[C@H]1C[C@@](C)(OC)C1(C)C ZINC001644690335 1195127407 /nfs/dbraw/zinc/12/74/07/1195127407.db2.gz BGCHBCBOHUTIQA-DOTOQJQBSA-N 1 1 322.405 3.239 20 5 DGBDMO C[N@H+]1CCN(Cc2ccc(F)cc2[N+](=O)[O-])CC12CCCCC2 ZINC001645733291 1195199852 /nfs/dbraw/zinc/19/98/52/1195199852.db2.gz WICVRBPUQGYYIC-UHFFFAOYSA-N 1 1 321.396 3.184 20 5 DGBDMO CC[N@@H+](CCOc1ccc(OC)cc1[N+](=O)[O-])C1CC(C)(C)C1 ZINC001646147290 1195215453 /nfs/dbraw/zinc/21/54/53/1195215453.db2.gz MZBPUIPEGCKDCC-UHFFFAOYSA-N 1 1 322.405 3.493 20 5 DGBDMO O=[N+]([O-])c1ccc(Cl)cc1C[N@@H+]1CCCC[C@@]12CCOC2 ZINC001648641638 1195316704 /nfs/dbraw/zinc/31/67/04/1195316704.db2.gz GUOTVVCABIHQHY-HNNXBMFYSA-N 1 1 310.781 3.393 20 5 DGBDMO O=[N+]([O-])c1ccc(Cl)cc1C[N@H+]1CCCC[C@@]12CCOC2 ZINC001648641638 1195316706 /nfs/dbraw/zinc/31/67/06/1195316706.db2.gz GUOTVVCABIHQHY-HNNXBMFYSA-N 1 1 310.781 3.393 20 5 DGBDMO C[C@@H]1CCC[N@@H+](CCNc2nc3c(cc2[N+](=O)[O-])CCCC3)C1 ZINC001650627437 1195366132 /nfs/dbraw/zinc/36/61/32/1195366132.db2.gz NHRAXMFKHGZPHK-CYBMUJFWSA-N 1 1 318.421 3.012 20 5 DGBDMO CC(C)[N@H+](C)C[C@@H](C)Nc1nc2c(cc1[N+](=O)[O-])CCCC2 ZINC001651827663 1195513719 /nfs/dbraw/zinc/51/37/19/1195513719.db2.gz YLLTWBPJULWJNK-GFCCVEGCSA-N 1 1 306.410 3.009 20 5 DGBDMO Cc1cc(NC[C@@H]2CCC[N@@H+]2C)c([N+](=O)[O-])cc1C(F)(F)F ZINC001652095233 1195546688 /nfs/dbraw/zinc/54/66/88/1195546688.db2.gz HHNOIPXLCBGPIU-JTQLQIEISA-N 1 1 317.311 3.428 20 5 DGBDMO C[C@@H]1[C@@H](Nc2ccc([N+](=O)[O-])c(C(F)(F)F)c2)CC[N@H+]1C ZINC001652248935 1195568711 /nfs/dbraw/zinc/56/87/11/1195568711.db2.gz XSJRQEBJLHADJX-KCJUWKMLSA-N 1 1 303.284 3.118 20 5 DGBDMO C[C@@H]1[C@H](Nc2ccc([N+](=O)[O-])c(C(F)(F)F)c2)CC[N@H+]1C ZINC001652248937 1195568745 /nfs/dbraw/zinc/56/87/45/1195568745.db2.gz XSJRQEBJLHADJX-LDYMZIIASA-N 1 1 303.284 3.118 20 5 DGBDMO COc1ccc(CC[N@@H+](CC[N+](=O)[O-])Cc2ccccc2)cc1 ZINC001652437593 1195596975 /nfs/dbraw/zinc/59/69/75/1195596975.db2.gz LJFURUBVYXVHPB-UHFFFAOYSA-N 1 1 314.385 3.017 20 5 DGBDMO C[C@H]([NH2+]CC(=O)c1ccccc1F)c1cccc([N+](=O)[O-])c1 ZINC001653056589 1195685289 /nfs/dbraw/zinc/68/52/89/1195685289.db2.gz RGGRSQHUUANHQA-NSHDSACASA-N 1 1 302.305 3.267 20 5 DGBDMO CO[C@]1(C)C[C@H]([N@@H+](C)CCOc2ccc([N+](=O)[O-])cc2)C1(C)C ZINC001653446315 1195723291 /nfs/dbraw/zinc/72/32/91/1195723291.db2.gz YORDVECJWGJTRD-DOTOQJQBSA-N 1 1 322.405 3.109 20 5 DGBDMO O=[N+]([O-])c1ncccc1C[N@@H+]1C[C@H]2[C@H](C[C@@H]2c2ccccc2)C1 ZINC001654500875 1195810084 /nfs/dbraw/zinc/81/00/84/1195810084.db2.gz UVZKGCISYAPCSL-ZACQAIPSSA-N 1 1 309.369 3.225 20 5 DGBDMO CC[N@@H+](Cc1cccc([N+](=O)[O-])c1C)[C@H](CO)c1ccccc1 ZINC001654616852 1195822681 /nfs/dbraw/zinc/82/26/81/1195822681.db2.gz PQRYUIKTYMJKCQ-GOSISDBHSA-N 1 1 314.385 3.459 20 5 DGBDMO C[C@H]([NH2+]CCN1C[C@H](C)C[C@@H](C)C1)c1ccc([N+](=O)[O-])cc1 ZINC001655554346 1195931020 /nfs/dbraw/zinc/93/10/20/1195931020.db2.gz DWZZDNWGEQUUIN-KFWWJZLASA-N 1 1 305.422 3.223 20 5 DGBDMO C[C@]12C[N@@H+](CCOc3ccccc3[N+](=O)[O-])C[C@H]1[C@H]1C=C[C@@H]2C1 ZINC001655743804 1195958725 /nfs/dbraw/zinc/95/87/25/1195958725.db2.gz JIQQYJFBSHPKHK-JTOWHCCKSA-N 1 1 314.385 3.118 20 5 DGBDMO CCC[C@@H]1CCC[N@H+]1Cc1cc(C(=O)OC)ccc1[N+](=O)[O-] ZINC001656385127 1196034671 /nfs/dbraw/zinc/03/46/71/1196034671.db2.gz YWUCJQVMDHRZFT-CQSZACIVSA-N 1 1 306.362 3.146 20 5 DGBDMO COC(=O)c1ccc([N+](=O)[O-])c(C[N@H+]2CCCC[C@H]2C(C)C)c1 ZINC001657330837 1196131298 /nfs/dbraw/zinc/13/12/98/1196131298.db2.gz AJDUPTDBEQRNLK-HNNXBMFYSA-N 1 1 320.389 3.392 20 5 DGBDMO O=[N+]([O-])c1ccc2c(c1)C[N@@H+](CCOC1CCCCC1)CC2 ZINC001657538903 1196153419 /nfs/dbraw/zinc/15/34/19/1196153419.db2.gz FXSZYQBRWOZCGJ-UHFFFAOYSA-N 1 1 304.390 3.302 20 5 DGBDMO O=[N+]([O-])c1ccc2c(c1)C[N@H+](CCOC1CCCCC1)CC2 ZINC001657538903 1196153421 /nfs/dbraw/zinc/15/34/21/1196153421.db2.gz FXSZYQBRWOZCGJ-UHFFFAOYSA-N 1 1 304.390 3.302 20 5 DGBDMO O=[N+]([O-])c1cc(Cl)ccc1CNC[C@H]1CCCC[N@@H+]1C1CC1 ZINC001659106409 1196345816 /nfs/dbraw/zinc/34/58/16/1196345816.db2.gz LDDYZKYGHFOCEF-OAHLLOKOSA-N 1 1 323.824 3.355 20 5 DGBDMO O=[N+]([O-])c1cc(Cl)ccc1CNC[C@H]1CCCC[N@H+]1C1CC1 ZINC001659106409 1196345818 /nfs/dbraw/zinc/34/58/18/1196345818.db2.gz LDDYZKYGHFOCEF-OAHLLOKOSA-N 1 1 323.824 3.355 20 5 DGBDMO Cc1ccc([N+](=O)[O-])c(C)c1C[N@H+]1CCCO[C@@H](C(C)C)C1 ZINC001659324299 1196371073 /nfs/dbraw/zinc/37/10/73/1196371073.db2.gz CUNGUHKWFVUCHI-QGZVFWFLSA-N 1 1 306.406 3.459 20 5 DGBDMO O=[N+]([O-])c1ccc(Cl)c(C[N@@H+]2CC[C@H](O)[C@H]3CCCC[C@@H]32)c1 ZINC001659889650 1196426255 /nfs/dbraw/zinc/42/62/55/1196426255.db2.gz QYGLQUDTZBWLFH-BPUTZDHNSA-N 1 1 324.808 3.374 20 5 DGBDMO O=[N+]([O-])c1ccc(OCC[N@H+]2C[C@@H](C3CC3)C[C@H]2C2CC2)cc1 ZINC001660417227 1196480987 /nfs/dbraw/zinc/48/09/87/1196480987.db2.gz XFFAOHKPFONKRF-YJBOKZPZSA-N 1 1 316.401 3.484 20 5 DGBDMO CCC[C@@H]1CCC[N@H+]1CC(=O)Nc1ccc([N+](=O)[O-])cc1C ZINC001660495162 1196491130 /nfs/dbraw/zinc/49/11/30/1196491130.db2.gz SNHVRWFGCGHJPA-CYBMUJFWSA-N 1 1 305.378 3.106 20 5 DGBDMO COc1c(O)ccc(C[N@@H+]2CC(C)(C)[C@H]2C(C)C)c1[N+](=O)[O-] ZINC001664867710 1197072321 /nfs/dbraw/zinc/07/23/21/1197072321.db2.gz JDNYKYRMGKIQML-OAHLLOKOSA-N 1 1 308.378 3.175 20 5 DGBDMO COc1c(O)ccc(C[N@H+]2CC(C)(C)[C@H]2C(C)C)c1[N+](=O)[O-] ZINC001664867710 1197072326 /nfs/dbraw/zinc/07/23/26/1197072326.db2.gz JDNYKYRMGKIQML-OAHLLOKOSA-N 1 1 308.378 3.175 20 5 DGBDMO CCC[N@@H+](CC)C[C@@H](C)NC(=O)Nc1cc(C)cc([N+](=O)[O-])c1 ZINC001673757543 1197688977 /nfs/dbraw/zinc/68/89/77/1197688977.db2.gz AXMHPIYGCFSKOM-CYBMUJFWSA-N 1 1 322.409 3.145 20 5 DGBDMO COc1ccc(C[C@@H](C)[N@@H+]2CCC[C@@](C)(F)C2)c([N+](=O)[O-])c1 ZINC001170334382 1082349244 /nfs/dbraw/zinc/34/92/44/1082349244.db2.gz CTWPIURTZLUBMT-MLGOLLRUSA-N 1 1 310.369 3.358 20 5 DGBDMO COc1ccc(C[C@@H](C)[N@H+]2CCC[C@@](C)(F)C2)c([N+](=O)[O-])c1 ZINC001170334382 1082349248 /nfs/dbraw/zinc/34/92/48/1082349248.db2.gz CTWPIURTZLUBMT-MLGOLLRUSA-N 1 1 310.369 3.358 20 5 DGBDMO Cc1ccc(NCC(C)(C)[N@@H+]2C[C@@H](C)O[C@@H](C)C2)c([N+](=O)[O-])c1 ZINC001184710460 1084245030 /nfs/dbraw/zinc/24/50/30/1084245030.db2.gz HHRNYQYPDAAYIA-OKILXGFUSA-N 1 1 321.421 3.203 20 5 DGBDMO C[NH+](C)/C=C/c1cc(NCCc2ccsc2)ncc1[N+](=O)[O-] ZINC001156521888 1089560709 /nfs/dbraw/zinc/56/07/09/1089560709.db2.gz PYPSQMNQDDYOIL-QPJJXVBHSA-N 1 1 318.402 3.238 20 5 DGBDMO C[N@H+]1CCC[C@@](C)(Nc2nc3ccccc3cc2[N+](=O)[O-])C1 ZINC001162336804 1089678106 /nfs/dbraw/zinc/67/81/06/1089678106.db2.gz HCNAUMVLPHDDTB-MRXNPFEDSA-N 1 1 300.362 3.039 20 5 DGBDMO C[C@H]1CCCC[N@H+]1CCCNc1cc([N+](=O)[O-])c2cc[nH]c2n1 ZINC001156927459 1089749984 /nfs/dbraw/zinc/74/99/84/1089749984.db2.gz DQOAGVYXPWPLNW-LBPRGKRZSA-N 1 1 317.393 3.148 20 5 DGBDMO C[C@H]1CCCC[N@H+]1CCCNc1cc(Cl)ncc1[N+](=O)[O-] ZINC001156928308 1089750608 /nfs/dbraw/zinc/75/06/08/1089750608.db2.gz INZYXEDQVVQULD-NSHDSACASA-N 1 1 312.801 3.320 20 5 DGBDMO CC(C)[N@@H+](C)[C@@H]1CCN(c2ccc3c(cccc3[N+](=O)[O-])n2)C1 ZINC001157011358 1089785647 /nfs/dbraw/zinc/78/56/47/1089785647.db2.gz ZNNXMUYWFDDHRV-CYBMUJFWSA-N 1 1 314.389 3.062 20 5 DGBDMO CC(C)[N@H+]1CC[C@@H](Nc2ccc3[nH]cc([N+](=O)[O-])c3n2)[C@@H](C)C1 ZINC001163365447 1090165149 /nfs/dbraw/zinc/16/51/49/1090165149.db2.gz JBWDQPAOBAXTHG-NWDGAFQWSA-N 1 1 317.393 3.002 20 5 DGBDMO CCOC(=O)CC(=[NH2+])Nc1cc2cccnc2c2ncccc12 ZINC001163446283 1090187158 /nfs/dbraw/zinc/18/71/58/1090187158.db2.gz ASLGGQMWRPIMTM-UHFFFAOYSA-N 1 1 308.341 3.125 20 5 DGBDMO CC(C)(C)[N@H+]1CC[C@H]1CNc1ncc([N+](=O)[O-])c2ccccc21 ZINC001163712402 1090240166 /nfs/dbraw/zinc/24/01/66/1090240166.db2.gz XXSJSNHNPVHVRO-LBPRGKRZSA-N 1 1 314.389 3.428 20 5 DGBDMO C[N@H+]1CCC[C@@H](CCNc2cc3cccnc3c([N+](=O)[O-])c2)C1 ZINC001165290181 1090497606 /nfs/dbraw/zinc/49/76/06/1090497606.db2.gz PUJAOZVWDSVTLE-ZDUSSCGKSA-N 1 1 314.389 3.287 20 5 DGBDMO C[N@@H+]1CCc2c(NCCc3ccsc3)ccc([N+](=O)[O-])c2C1 ZINC001166850594 1090668135 /nfs/dbraw/zinc/66/81/35/1090668135.db2.gz PGZORRPFFVUVLQ-UHFFFAOYSA-N 1 1 317.414 3.299 20 5 DGBDMO C[N@H+]1CCc2c(NCCc3ccsc3)ccc([N+](=O)[O-])c2C1 ZINC001166850594 1090668138 /nfs/dbraw/zinc/66/81/38/1090668138.db2.gz PGZORRPFFVUVLQ-UHFFFAOYSA-N 1 1 317.414 3.299 20 5 DGBDMO CCCN(C(=O)[C@@H]1CCC[N@H+]1C(C)C)c1cccc([N+](=O)[O-])c1 ZINC001128450170 1090965505 /nfs/dbraw/zinc/96/55/05/1090965505.db2.gz GGCYVBQDOBPCBI-INIZCTEOSA-N 1 1 319.405 3.211 20 5 DGBDMO C[C@@]1([NH3+])CCCN(Cc2ccc3ccc4cccnc4c3n2)CC1 ZINC001205281358 1091164353 /nfs/dbraw/zinc/16/43/53/1091164353.db2.gz SZLAANWWSYMQLR-HXUWFJFHSA-N 1 1 320.440 3.486 20 5 DGBDMO C[C@H]1C(=O)NCC[N@@H+]1Cc1c2ccccc2cc2ccccc21 ZINC001141728602 1092323746 /nfs/dbraw/zinc/32/37/46/1092323746.db2.gz ZFBZOCRTXPIZEM-AWEZNQCLSA-N 1 1 304.393 3.313 20 5 DGBDMO Cn1cc[nH+]c1CCNc1cccc(C(F)(F)F)c1[N+](=O)[O-] ZINC001120786710 1094523845 /nfs/dbraw/zinc/52/38/45/1094523845.db2.gz RXPBGWVDWZSZBL-UHFFFAOYSA-N 1 1 314.267 3.002 20 5 DGBDMO O=C1C[NH2+]CC[C@@H](Oc2nc3ccccc3c3ccccc32)C1 ZINC001218192015 1094651289 /nfs/dbraw/zinc/65/12/89/1094651289.db2.gz UHTWYNFDERORDU-CQSZACIVSA-N 1 1 306.365 3.088 20 5 DGBDMO FC1(F)C[NH2+]C[C@H]1Oc1cccc2cc3ccccc3nc21 ZINC001218232566 1094667436 /nfs/dbraw/zinc/66/74/36/1094667436.db2.gz DHNJJCWGDRSEIS-OAHLLOKOSA-N 1 1 300.308 3.374 20 5 DGBDMO O=[N+]([O-])c1ccc2oc(=S)n(C[N@@H+]3CC[C@H](CF)C3)c2c1 ZINC001337169192 1094883081 /nfs/dbraw/zinc/88/30/81/1094883081.db2.gz KFNYJSZMEJJJDO-SECBINFHSA-N 1 1 311.338 3.121 20 5 DGBDMO O=[N+]([O-])c1ccc2oc(=S)n(C[N@H+]3CC[C@H](CF)C3)c2c1 ZINC001337169192 1094883088 /nfs/dbraw/zinc/88/30/88/1094883088.db2.gz KFNYJSZMEJJJDO-SECBINFHSA-N 1 1 311.338 3.121 20 5 DGBDMO C[C@H](Nc1ccc(N)cc1[N+](=O)[O-])[C@H]1CCC[N@H+](C2CCC2)C1 ZINC001337914514 1095138155 /nfs/dbraw/zinc/13/81/55/1095138155.db2.gz MWVSSVSIAFFFTD-STQMWFEESA-N 1 1 318.421 3.242 20 5 DGBDMO COC(=O)C[N@@H+](C/C(C)=C\c1cccc([N+](=O)[O-])c1)CC(C)C ZINC001338769378 1095384305 /nfs/dbraw/zinc/38/43/05/1095384305.db2.gz LDTITUIGZOAOAL-ZSOIEALJSA-N 1 1 320.389 3.129 20 5 DGBDMO COC(=O)C[N@H+](C/C(C)=C\c1cccc([N+](=O)[O-])c1)CC(C)C ZINC001338769378 1095384314 /nfs/dbraw/zinc/38/43/14/1095384314.db2.gz LDTITUIGZOAOAL-ZSOIEALJSA-N 1 1 320.389 3.129 20 5 DGBDMO O=[N+]([O-])c1ccc2c(c1)C[N@H+](C[C@@H]1CC1(Cl)Cl)CC2 ZINC001116245897 1095493345 /nfs/dbraw/zinc/49/33/45/1095493345.db2.gz NHLGPJSSPNUQGF-NSHDSACASA-N 1 1 301.173 3.147 20 5 DGBDMO O=[N+]([O-])c1ccc2c(c1)C[N@@H+](C[C@@H]1CC1(Cl)Cl)CC2 ZINC001116245897 1095493338 /nfs/dbraw/zinc/49/33/38/1095493338.db2.gz NHLGPJSSPNUQGF-NSHDSACASA-N 1 1 301.173 3.147 20 5 DGBDMO CCCC1CC[NH+](CC(=O)Nc2ccc([N+](=O)[O-])cc2C)CC1 ZINC001116328478 1095517702 /nfs/dbraw/zinc/51/77/02/1095517702.db2.gz UROKQPOJLJFICM-UHFFFAOYSA-N 1 1 319.405 3.354 20 5 DGBDMO CCc1[nH+]ccn1[C@@H](C)CC(=O)Nc1cc(C)cc([N+](=O)[O-])c1 ZINC001124126262 1095545384 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ZINC001229139360 1097262597 /nfs/dbraw/zinc/26/25/97/1097262597.db2.gz XVVPOHWNKWIORH-ZDUSSCGKSA-N 1 1 306.362 3.049 20 5 DGBDMO COC[C@@H]1CCCC[N@H+]1[C@H]1CCc2ccc([N+](=O)[O-])cc2CC1 ZINC001172906263 1097269121 /nfs/dbraw/zinc/26/91/21/1097269121.db2.gz WRXQHCUKNNJCLY-WMZOPIPTSA-N 1 1 318.417 3.343 20 5 DGBDMO O=[N+]([O-])c1ccc2c(c1)CC[C@H]([N@@H+]1C[C@H]3[C@H](CC3(F)F)C1)CC2 ZINC001172903984 1097269127 /nfs/dbraw/zinc/26/91/27/1097269127.db2.gz KSDSWPACPAQGRO-FMKPAKJESA-N 1 1 322.355 3.429 20 5 DGBDMO C[N@@H+]([C@H]1CC[C@H](O)CC1)[C@@H]1CCc2ccc([N+](=O)[O-])cc2CC1 ZINC001172906127 1097269402 /nfs/dbraw/zinc/26/94/02/1097269402.db2.gz WKUSTNQMXXUYJR-JFIYKMOQSA-N 1 1 318.417 3.078 20 5 DGBDMO C[N@@H+]([C@H]1CC[C@H](O)CC1)[C@H]1CCc2ccc([N+](=O)[O-])cc2CC1 ZINC001172906124 1097269429 /nfs/dbraw/zinc/26/94/29/1097269429.db2.gz WKUSTNQMXXUYJR-BQFCYCMXSA-N 1 1 318.417 3.078 20 5 DGBDMO CCCO[C@@H]1CC[N@H+]([C@H]2CCc3ccc([N+](=O)[O-])cc3CC2)C1 ZINC001172914016 1097278442 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3.079 20 5 DGBDMO C[C@H](Cc1ccc([N+](=O)[O-])cc1)[N@H+]1CC[C@]2(C1)CCCCO2 ZINC001173221680 1097372040 /nfs/dbraw/zinc/37/20/40/1097372040.db2.gz LGYRWFYXXRPWFI-PBHICJAKSA-N 1 1 304.390 3.171 20 5 DGBDMO C[C@@H](Cc1ccc([N+](=O)[O-])cc1)[N@H+]1CC[C@H](c2cccnc2)C1 ZINC001173225744 1097375280 /nfs/dbraw/zinc/37/52/80/1097375280.db2.gz FSLGCJYKQWPJMC-YOEHRIQHSA-N 1 1 311.385 3.410 20 5 DGBDMO COCC[C@H]1CCCC[N@H+]1[C@@H](C)Cc1ccc([N+](=O)[O-])cc1 ZINC001173225713 1097375437 /nfs/dbraw/zinc/37/54/37/1097375437.db2.gz FNZXMTHCGGVIBN-GOEBONIOSA-N 1 1 306.406 3.417 20 5 DGBDMO CC(C)N1CC[C@H]([NH2+][C@H](C)Cc2ccc([N+](=O)[O-])cc2)[C@H](C)C1 ZINC001173228913 1097376307 /nfs/dbraw/zinc/37/63/07/1097376307.db2.gz NNCFITSFAZLLBD-RKVPGOIHSA-N 1 1 319.449 3.234 20 5 DGBDMO Cc1cc(O[C@H]2CCc3[nH+]ccn3C2)c([N+](=O)[O-])cc1Cl ZINC001229976337 1097421581 /nfs/dbraw/zinc/42/15/81/1097421581.db2.gz XRUXSEDHKNFWQQ-JTQLQIEISA-N 1 1 307.737 3.147 20 5 DGBDMO CO[C@@H]1CC[N@@H+](CCOc2nccc3c4ccccc4ccc32)C1 ZINC001230202598 1097457491 /nfs/dbraw/zinc/45/74/91/1097457491.db2.gz AFLWZTIYTPIQNF-MRXNPFEDSA-N 1 1 322.408 3.488 20 5 DGBDMO Cc1cc(O[C@@H]2[C@@H]3CCC[C@H]2C[N@H+](C)C3)cc([N+](=O)[O-])c1C ZINC001230478103 1097495205 /nfs/dbraw/zinc/49/52/05/1097495205.db2.gz SSLBUYKNIGZLCI-XOIINTDNSA-N 1 1 304.390 3.321 20 5 DGBDMO Cc1ccc(O[C@@H]2CCC[N@H+](C(C)C)C2)c([N+](=O)[O-])c1[N+](=O)[O-] ZINC001230492493 1097498100 /nfs/dbraw/zinc/49/81/00/1097498100.db2.gz PUDGOJICFQJRKX-GFCCVEGCSA-N 1 1 323.349 3.063 20 5 DGBDMO CC[N@@H+]1CC[C@@H](Oc2c(Cl)cc(Cl)cc2[N+](=O)[O-])C1 ZINC001230768232 1097578979 /nfs/dbraw/zinc/57/89/79/1097578979.db2.gz INQCGKKSBXJSIQ-SECBINFHSA-N 1 1 305.161 3.375 20 5 DGBDMO CC[N@H+]1CC[C@@H](Oc2c(Cl)cc(Cl)cc2[N+](=O)[O-])C1 ZINC001230768232 1097578985 /nfs/dbraw/zinc/57/89/85/1097578985.db2.gz INQCGKKSBXJSIQ-SECBINFHSA-N 1 1 305.161 3.375 20 5 DGBDMO O=[N+]([O-])c1ccc(Nc2ccc(C[NH+]3CCOCC3)cc2)cc1 ZINC001174478334 1097739951 /nfs/dbraw/zinc/73/99/51/1097739951.db2.gz VOHXMMBTUBVGDL-UHFFFAOYSA-N 1 1 313.357 3.171 20 5 DGBDMO O=[N+]([O-])c1ccc([C@H](O)C[N@H+]2C[C@@H](C3CC3)C[C@H]2C2CC2)cc1 ZINC001176649766 1098409183 /nfs/dbraw/zinc/40/91/83/1098409183.db2.gz LITUVUWJUOMWLH-RYQLBKOJSA-N 1 1 316.401 3.139 20 5 DGBDMO C[N@@H+]1[C@@H]2CC[C@H]1C[C@H](Oc1ccc3cccc([N+](=O)[O-])c3n1)C2 ZINC001233837556 1098440233 /nfs/dbraw/zinc/44/02/33/1098440233.db2.gz ZQTRDFBWPFWRMV-BTTYYORXSA-N 1 1 313.357 3.147 20 5 DGBDMO O=[N+]([O-])c1ccc(Cl)c(C[N@@H+]2CCCC[C@@]23CCOC3)c1 ZINC001176971350 1098457526 /nfs/dbraw/zinc/45/75/26/1098457526.db2.gz OSQAOJSSJDNSGS-HNNXBMFYSA-N 1 1 310.781 3.393 20 5 DGBDMO O=[N+]([O-])c1ccc(Cl)c(C[N@H+]2CCCC[C@@]23CCOC3)c1 ZINC001176971350 1098457529 /nfs/dbraw/zinc/45/75/29/1098457529.db2.gz OSQAOJSSJDNSGS-HNNXBMFYSA-N 1 1 310.781 3.393 20 5 DGBDMO C[N@H+]1CCc2c(cccc2O[C@@H]2Cc3ccc([N+](=O)[O-])cc3C2)C1 ZINC001234420282 1098552118 /nfs/dbraw/zinc/55/21/18/1098552118.db2.gz PGRPQWZINDZEHT-QGZVFWFLSA-N 1 1 324.380 3.129 20 5 DGBDMO CCC[N@@H+](CC(C)C)[C@@H]1CCN(c2cccc([N+](=O)[O-])c2)C1=O ZINC001190650370 1100315363 /nfs/dbraw/zinc/31/53/63/1100315363.db2.gz CBVSJXSKUIAQSH-MRXNPFEDSA-N 1 1 319.405 3.068 20 5 DGBDMO C[C@@H]([NH2+]Cc1cccnc1[N+](=O)[O-])c1ccc2ncsc2c1 ZINC001193591924 1100769011 /nfs/dbraw/zinc/76/90/11/1100769011.db2.gz CFPUPVGDKCINLR-SNVBAGLBSA-N 1 1 314.370 3.450 20 5 DGBDMO CC[N@H+](Cc1ccc(C(F)(F)F)cc1[N+](=O)[O-])C[C@H](C)OC ZINC001205923541 1102663745 /nfs/dbraw/zinc/66/37/45/1102663745.db2.gz CBGVYQOKYDWGQC-JTQLQIEISA-N 1 1 320.311 3.470 20 5 DGBDMO CC[N@H+]1CCC[C@H](CNc2cc(OC)c(C)cc2[N+](=O)[O-])C1 ZINC001328492246 1103966946 /nfs/dbraw/zinc/96/69/46/1103966946.db2.gz QPNXLGCYPKIVBK-CYBMUJFWSA-N 1 1 307.394 3.056 20 5 DGBDMO COc1cccc([C@H]2CCC[N@@H+]2Cc2onc(C)c2[N+](=O)[O-])c1 ZINC001329861675 1104400921 /nfs/dbraw/zinc/40/09/21/1104400921.db2.gz FPMKHPONPNSRLY-CQSZACIVSA-N 1 1 317.345 3.237 20 5 DGBDMO COc1cccc([C@H]2CCC[N@H+]2Cc2onc(C)c2[N+](=O)[O-])c1 ZINC001329861675 1104400926 /nfs/dbraw/zinc/40/09/26/1104400926.db2.gz FPMKHPONPNSRLY-CQSZACIVSA-N 1 1 317.345 3.237 20 5 DGBDMO CC(C)([NH3+])c1nc(-c2ccc3ccc4cccnc4c3n2)no1 ZINC001247490050 1104911883 /nfs/dbraw/zinc/91/18/83/1104911883.db2.gz NZOYNYRRSFDAOI-UHFFFAOYSA-N 1 1 305.341 3.027 20 5 DGBDMO Cc1cccc(-c2noc([C@@H]([NH3+])Cc3ccccc3[N+](=O)[O-])n2)c1 ZINC001247667450 1104955446 /nfs/dbraw/zinc/95/54/46/1104955446.db2.gz WJNFFASRTWEWOB-AWEZNQCLSA-N 1 1 324.340 3.196 20 5 DGBDMO [NH3+]C1(c2nc(-c3ccc4ccc5cccnc5c4n3)no2)CCC1 ZINC001247720232 1104964399 /nfs/dbraw/zinc/96/43/99/1104964399.db2.gz HTJKHVXHMXJCOZ-UHFFFAOYSA-N 1 1 317.352 3.171 20 5 DGBDMO C[N@H+]1CCc2ncc(Nc3ccc([N+](=O)[O-])cc3Cl)cc2C1 ZINC001248594657 1105133446 /nfs/dbraw/zinc/13/34/46/1105133446.db2.gz OKFXIWIHICFDMV-UHFFFAOYSA-N 1 1 318.764 3.375 20 5 DGBDMO C[NH2+][C@@H](CO)c1nc(-c2cc3ccccc3c3ccccc23)no1 ZINC001249123677 1105229793 /nfs/dbraw/zinc/22/97/93/1105229793.db2.gz QFBHZKCXKWNFGN-KRWDZBQOSA-N 1 1 319.364 3.296 20 5 DGBDMO C[C@H](Cc1ccccc1[N+](=O)[O-])[N@H+]1CC(C)(C)C[C@]1(C)CO ZINC001254551468 1106101367 /nfs/dbraw/zinc/10/13/67/1106101367.db2.gz BOYDKJWKOAKTDC-CXAGYDPISA-N 1 1 306.406 3.009 20 5 DGBDMO C[C@@H](Cc1ccccc1[N+](=O)[O-])[N@@H+](C)Cc1cccc(O)c1 ZINC001254551804 1106101877 /nfs/dbraw/zinc/10/18/77/1106101877.db2.gz FXJSQLQPZBRNQZ-ZDUSSCGKSA-N 1 1 300.358 3.363 20 5 DGBDMO C[C@H](Cc1ccccc1[N+](=O)[O-])[N@H+]1CCC[C@](C)(O)[C@H](C)C1 ZINC001254552806 1106102583 /nfs/dbraw/zinc/10/25/83/1106102583.db2.gz PMLYCTPIEFEGQG-CPUCHLNUSA-N 1 1 306.406 3.009 20 5 DGBDMO C[C@@H](Cc1ccccc1[N+](=O)[O-])[N@H+]1CC[C@H](C(F)(F)F)C1 ZINC001254559772 1106103046 /nfs/dbraw/zinc/10/30/46/1106103046.db2.gz MOJATHJNQAGXME-JQWIXIFHSA-N 1 1 302.296 3.410 20 5 DGBDMO CCCC[N@H+](CC(=O)OCC)[C@H](C)Cc1ccccc1[N+](=O)[O-] ZINC001254563872 1106104538 /nfs/dbraw/zinc/10/45/38/1106104538.db2.gz FOPOJPNAEMTLQI-CQSZACIVSA-N 1 1 322.405 3.191 20 5 DGBDMO CCCC[N@@H+](CC(=O)OCC)[C@H](C)Cc1ccccc1[N+](=O)[O-] ZINC001254563872 1106104539 /nfs/dbraw/zinc/10/45/39/1106104539.db2.gz FOPOJPNAEMTLQI-CQSZACIVSA-N 1 1 322.405 3.191 20 5 DGBDMO CC[C@H](C)[C@@H](C(=O)OC)[N@H+](C)[C@H](C)Cc1ccccc1[N+](=O)[O-] ZINC001254567577 1106105023 /nfs/dbraw/zinc/10/50/23/1106105023.db2.gz XDQUVAXVRLPROQ-ZENOOKHLSA-N 1 1 322.405 3.045 20 5 DGBDMO CC[C@H](C)[C@@H](C(=O)OC)[N@@H+](C)[C@H](C)Cc1ccccc1[N+](=O)[O-] ZINC001254567577 1106105025 /nfs/dbraw/zinc/10/50/25/1106105025.db2.gz XDQUVAXVRLPROQ-ZENOOKHLSA-N 1 1 322.405 3.045 20 5 DGBDMO CC[C@H](C)[C@@H](C(=O)OC)[N@H+](C)[C@@H](C)Cc1ccccc1[N+](=O)[O-] ZINC001254567576 1106105356 /nfs/dbraw/zinc/10/53/56/1106105356.db2.gz XDQUVAXVRLPROQ-XEZPLFJOSA-N 1 1 322.405 3.045 20 5 DGBDMO CC[C@H](C)[C@@H](C(=O)OC)[N@@H+](C)[C@@H](C)Cc1ccccc1[N+](=O)[O-] ZINC001254567576 1106105359 /nfs/dbraw/zinc/10/53/59/1106105359.db2.gz XDQUVAXVRLPROQ-XEZPLFJOSA-N 1 1 322.405 3.045 20 5 DGBDMO COc1cccc2c1CC[N@H+]([C@@H]1Cc3ccc([N+](=O)[O-])cc3C1)C2 ZINC001254607274 1106112233 /nfs/dbraw/zinc/11/22/33/1106112233.db2.gz KOTGXFLQTNAORA-QGZVFWFLSA-N 1 1 324.380 3.129 20 5 DGBDMO CC[C@H](C)[N@@H+](C)C1CCN(c2ccc([N+](=O)[O-])c(OC)c2)CC1 ZINC001256097208 1106369139 /nfs/dbraw/zinc/36/91/39/1106369139.db2.gz XERMWJMFCUWXQM-ZDUSSCGKSA-N 1 1 321.421 3.303 20 5 DGBDMO O=[N+]([O-])c1ccc2c(c1)C[N@@H+](CCc1ccc(F)cc1F)CC2 ZINC001320264396 1106943189 /nfs/dbraw/zinc/94/31/89/1106943189.db2.gz XNYUMHUXJNRWOK-UHFFFAOYSA-N 1 1 318.323 3.474 20 5 DGBDMO O=[N+]([O-])c1ccc2c(c1)C[N@H+](CCc1ccc(F)cc1F)CC2 ZINC001320264396 1106943199 /nfs/dbraw/zinc/94/31/99/1106943199.db2.gz XNYUMHUXJNRWOK-UHFFFAOYSA-N 1 1 318.323 3.474 20 5 DGBDMO CS[C@@H]1CC[C@H]([N@@H+](C)Cc2nc3cc([N+](=O)[O-])ccc3[nH]2)C1 ZINC001320814034 1107146780 /nfs/dbraw/zinc/14/67/80/1107146780.db2.gz JLSOJNQIQAAZMM-CMPLNLGQSA-N 1 1 320.418 3.187 20 5 DGBDMO CCC[N@@H+]1CCCC[C@H]1C(=O)O[C@@H](C)c1ccccc1[N+](=O)[O-] ZINC001322153599 1107545200 /nfs/dbraw/zinc/54/52/00/1107545200.db2.gz MHIDKKDFLVSNEX-BBRMVZONSA-N 1 1 320.389 3.464 20 5 DGBDMO CCC[N@H+]1CCCC[C@H]1C(=O)O[C@@H](C)c1ccccc1[N+](=O)[O-] ZINC001322153599 1107545209 /nfs/dbraw/zinc/54/52/09/1107545209.db2.gz MHIDKKDFLVSNEX-BBRMVZONSA-N 1 1 320.389 3.464 20 5 DGBDMO O=[N+]([O-])c1cnc(N2CCC[C@@H](c3[nH]cc[nH+]3)C2)c2ccccc21 ZINC001262058814 1107599194 /nfs/dbraw/zinc/59/91/94/1107599194.db2.gz ILBYSKPEWLMLPT-GFCCVEGCSA-N 1 1 323.356 3.250 20 5 DGBDMO CC[N@@H+](CCCn1c(=O)oc2ccc([N+](=O)[O-])cc21)C(C)(C)C ZINC001324503936 1108318350 /nfs/dbraw/zinc/31/83/50/1108318350.db2.gz ZTJPUZSABZEHEW-UHFFFAOYSA-N 1 1 321.377 3.013 20 5 DGBDMO Cc1c(NC(=O)CC[N@H+]2CC(C)(C)C2(C)C)cccc1[N+](=O)[O-] ZINC001319371190 1108433757 /nfs/dbraw/zinc/43/37/57/1108433757.db2.gz UQXIDTPDHGJUMK-UHFFFAOYSA-N 1 1 319.405 3.352 20 5 DGBDMO CC[C@H](NC[C@@H]1CCC[N@H+](CC)C1)c1cccc([N+](=O)[O-])c1 ZINC001319382648 1108438243 /nfs/dbraw/zinc/43/82/43/1108438243.db2.gz HYMHNUGTKQKADK-YOEHRIQHSA-N 1 1 305.422 3.367 20 5 DGBDMO CC[C@H](NC[C@@H]1CCC[N@@H+](CC)C1)c1cccc([N+](=O)[O-])c1 ZINC001319382648 1108438250 /nfs/dbraw/zinc/43/82/50/1108438250.db2.gz HYMHNUGTKQKADK-YOEHRIQHSA-N 1 1 305.422 3.367 20 5 DGBDMO CCCC(=O)N(CC[N@H+](C)Cc1ccccc1[N+](=O)[O-])C(C)C ZINC001284526506 1109802844 /nfs/dbraw/zinc/80/28/44/1109802844.db2.gz FKWPRGZWNYCDDX-UHFFFAOYSA-N 1 1 321.421 3.064 20 5 DGBDMO CCCC(=O)N(CC[N@@H+](C)Cc1ccccc1[N+](=O)[O-])C(C)C ZINC001284526506 1109802849 /nfs/dbraw/zinc/80/28/49/1109802849.db2.gz FKWPRGZWNYCDDX-UHFFFAOYSA-N 1 1 321.421 3.064 20 5 DGBDMO C[N@H+]1CC[C@@H]1CNC(=O)c1c2ccccc2cc2ccccc21 ZINC001289119976 1110205664 /nfs/dbraw/zinc/20/56/64/1110205664.db2.gz TVMHEXJDVDSAST-MRXNPFEDSA-N 1 1 304.393 3.427 20 5 DGBDMO CC[N@@H+](CCNc1nc2c(cc1[N+](=O)[O-])CCCC2)C(C)C ZINC001306956961 1111254589 /nfs/dbraw/zinc/25/45/89/1111254589.db2.gz LTOCXNDHLPLMSG-UHFFFAOYSA-N 1 1 306.410 3.011 20 5 DGBDMO O=[N+]([O-])CC[N@@H+]1CCC[C@@H](Oc2ccc(Cl)c(Cl)c2)C1 ZINC001307515088 1111309131 /nfs/dbraw/zinc/30/91/31/1111309131.db2.gz WYELNHYZKZQMBF-LLVKDONJSA-N 1 1 319.188 3.113 20 5 DGBDMO O=[N+]([O-])CC[N@H+]1CCC[C@@H](Oc2ccc(Cl)c(Cl)c2)C1 ZINC001307515088 1111309135 /nfs/dbraw/zinc/30/91/35/1111309135.db2.gz WYELNHYZKZQMBF-LLVKDONJSA-N 1 1 319.188 3.113 20 5 DGBDMO CC[C@H](C[N@@H+](CC)Cc1cn(C)nc1[N+](=O)[O-])c1ccccc1 ZINC001307703495 1111328960 /nfs/dbraw/zinc/32/89/60/1111328960.db2.gz UVFZMEUOQCJQOO-CQSZACIVSA-N 1 1 316.405 3.344 20 5 DGBDMO Cc1ncc([N+](=O)[O-])n1CC[N@H+]1CCC(C)(C)CC(C)(C)C1 ZINC001307919968 1111355958 /nfs/dbraw/zinc/35/59/58/1111355958.db2.gz FRDZHELNFALMPX-UHFFFAOYSA-N 1 1 308.426 3.248 20 5 DGBDMO C[C@]1(Cc2ccccc2C(F)(F)F)CCC[N@@H+]1CC[N+](=O)[O-] ZINC001307949382 1111358981 /nfs/dbraw/zinc/35/89/81/1111358981.db2.gz UHSYFYBIDSPPTD-CQSZACIVSA-N 1 1 316.323 3.379 20 5 DGBDMO C[C@]1(Cc2ccccc2C(F)(F)F)CCC[N@H+]1CC[N+](=O)[O-] ZINC001307949382 1111358982 /nfs/dbraw/zinc/35/89/82/1111358982.db2.gz UHSYFYBIDSPPTD-CQSZACIVSA-N 1 1 316.323 3.379 20 5 DGBDMO CO[C@H]1CC[C@@H](C)[N@H+](Cc2cc([N+](=O)[O-])ccc2OC(C)C)C1 ZINC001307996025 1111363642 /nfs/dbraw/zinc/36/36/42/1111363642.db2.gz JHSBPQVDPDFGCE-CJNGLKHVSA-N 1 1 322.405 3.381 20 5 DGBDMO CO[C@H]1CC[C@@H](C)[N@@H+](Cc2cc([N+](=O)[O-])ccc2OC(C)C)C1 ZINC001307996025 1111363645 /nfs/dbraw/zinc/36/36/45/1111363645.db2.gz JHSBPQVDPDFGCE-CJNGLKHVSA-N 1 1 322.405 3.381 20 5 DGBDMO Cc1ccc(CNC[C@H](C)[N@@H+]2CCCC[C@@H]2C)cc1[N+](=O)[O-] ZINC001308201919 1111396462 /nfs/dbraw/zinc/39/64/62/1111396462.db2.gz XEOMIROWSHDPDV-GJZGRUSLSA-N 1 1 305.422 3.256 20 5 DGBDMO Cc1ccc(CNC[C@H](C)[N@H+]2CCCC[C@@H]2C)cc1[N+](=O)[O-] ZINC001308201919 1111396464 /nfs/dbraw/zinc/39/64/64/1111396464.db2.gz XEOMIROWSHDPDV-GJZGRUSLSA-N 1 1 305.422 3.256 20 5 DGBDMO Cc1c(CNC[C@H](C)[NH+]2CCC(C)CC2)cccc1[N+](=O)[O-] ZINC001308232402 1111401938 /nfs/dbraw/zinc/40/19/38/1111401938.db2.gz RVCFNMXEPIRBGV-AWEZNQCLSA-N 1 1 305.422 3.113 20 5 DGBDMO Cc1ccc(C[NH2+]Cc2noc3cc(F)ccc23)cc1[N+](=O)[O-] ZINC001308501427 1111435497 /nfs/dbraw/zinc/43/54/97/1111435497.db2.gz ZDOGPECAPCDDJO-UHFFFAOYSA-N 1 1 315.304 3.473 20 5 DGBDMO CC[C@]1(O)CCC[N@@H+](C/C(C)=C/c2cccc([N+](=O)[O-])c2)C1 ZINC001308898558 1111490321 /nfs/dbraw/zinc/49/03/21/1111490321.db2.gz VWUPQDDULDGCER-SHRNQRGKSA-N 1 1 304.390 3.235 20 5 DGBDMO CC[C@]1(O)CCC[N@@H+](C/C(C)=C\c2cccc([N+](=O)[O-])c2)C1 ZINC001308898556 1111490824 /nfs/dbraw/zinc/49/08/24/1111490824.db2.gz VWUPQDDULDGCER-QXSWTLKVSA-N 1 1 304.390 3.235 20 5 DGBDMO C[C@H](Nc1ncccc1[N+](=O)[O-])[C@H]1CCC[N@H+](C2CCC2)C1 ZINC000272850711 210246847 /nfs/dbraw/zinc/24/68/47/210246847.db2.gz HHJPDOPRWCAIFU-STQMWFEESA-N 1 1 304.394 3.055 20 5 DGBDMO CC[C@]1(CO)CCC[N@@H+](C/C=C\c2ccccc2[N+](=O)[O-])C1 ZINC000428475849 529423711 /nfs/dbraw/zinc/42/37/11/529423711.db2.gz WUNCEYOPVKRTQJ-AFCDSYGPSA-N 1 1 304.390 3.093 20 5 DGBDMO C[C@@H]1CCC[N@@H+](Cc2cc([N+](=O)[O-])cc3c2OCOC3)CC1 ZINC000063309171 432005124 /nfs/dbraw/zinc/00/51/24/432005124.db2.gz VYKAVPRQPFSGRU-GFCCVEGCSA-N 1 1 306.362 3.083 20 5 DGBDMO CCc1ccc([C@@H]([NH2+]C[C@@H](C)OC)c2ccc([N+](=O)[O-])cc2)o1 ZINC000443194973 529712211 /nfs/dbraw/zinc/71/22/11/529712211.db2.gz QFMAOOUGLYBZLX-PXAZEXFGSA-N 1 1 318.373 3.464 20 5 DGBDMO C[N@H+](Cc1ccccc1[N+](=O)[O-])[C@H](CO)c1ccc(Cl)cc1 ZINC000294916696 530004530 /nfs/dbraw/zinc/00/45/30/530004530.db2.gz AOGFPMCIMSMUTO-MRXNPFEDSA-N 1 1 320.776 3.414 20 5 DGBDMO C[N@@H+](Cc1ccccc1[N+](=O)[O-])[C@H](CO)c1ccc(Cl)cc1 ZINC000294916696 530004531 /nfs/dbraw/zinc/00/45/31/530004531.db2.gz AOGFPMCIMSMUTO-MRXNPFEDSA-N 1 1 320.776 3.414 20 5 DGBDMO C[N@H+](Cc1ccccc1[N+](=O)[O-])[C@@H](CO)c1ccc(Cl)cc1 ZINC000294916692 530004659 /nfs/dbraw/zinc/00/46/59/530004659.db2.gz AOGFPMCIMSMUTO-INIZCTEOSA-N 1 1 320.776 3.414 20 5 DGBDMO C[N@@H+](Cc1ccccc1[N+](=O)[O-])[C@@H](CO)c1ccc(Cl)cc1 ZINC000294916692 530004661 /nfs/dbraw/zinc/00/46/61/530004661.db2.gz AOGFPMCIMSMUTO-INIZCTEOSA-N 1 1 320.776 3.414 20 5 DGBDMO CCOc1cc(C[N@H+]2CCCC[C@H]2C[C@H](C)O)ccc1[N+](=O)[O-] ZINC000279959755 215272057 /nfs/dbraw/zinc/27/20/57/215272057.db2.gz YHRYVGDFHCBNJF-ZFWWWQNUSA-N 1 1 322.405 3.119 20 5 DGBDMO Cc1cc([N+](=O)[O-])ccc1NC(=O)C[N@@H+]1CCCC[C@H]1C(C)C ZINC000072664139 191211717 /nfs/dbraw/zinc/21/17/17/191211717.db2.gz RAKGVMXFLDBZBJ-INIZCTEOSA-N 1 1 319.405 3.352 20 5 DGBDMO Cc1ccc(NC(=O)[C@@H]2CCC[N@H+]2C2CCCC2)cc1[N+](=O)[O-] ZINC000331953961 234314526 /nfs/dbraw/zinc/31/45/26/234314526.db2.gz KLQAVOCLBYQTDP-HNNXBMFYSA-N 1 1 317.389 3.249 20 5 DGBDMO O=[N+]([O-])c1ccc(Cl)cc1C[NH+]1CCC(n2ccnc2)CC1 ZINC000174856285 198394430 /nfs/dbraw/zinc/39/44/30/198394430.db2.gz FHIBFCTXDQKESP-UHFFFAOYSA-N 1 1 320.780 3.282 20 5 DGBDMO COC[C@H](C)[N@@H+](C)Cc1ccc(-c2ccc([N+](=O)[O-])cc2)o1 ZINC000179368174 432055883 /nfs/dbraw/zinc/05/58/83/432055883.db2.gz VRQAYMKGQQRGTG-LBPRGKRZSA-N 1 1 304.346 3.322 20 5 DGBDMO CCC[N@@H+](C)C[C@@H]1CCN(Cc2cccc([N+](=O)[O-])c2C)C1 ZINC000081568990 192293945 /nfs/dbraw/zinc/29/39/45/192293945.db2.gz NZNKRMGOIRMGCF-HNNXBMFYSA-N 1 1 305.422 3.067 20 5 DGBDMO CCC[C@H](NC[C@H](C1CC1)[NH+](C)C)c1cccc([N+](=O)[O-])c1 ZINC000166271167 432059452 /nfs/dbraw/zinc/05/94/52/432059452.db2.gz LGDHWFDOKRFMSL-DLBZAZTESA-N 1 1 305.422 3.366 20 5 DGBDMO C[N@@H+](CCCNCc1csc([N+](=O)[O-])c1)Cc1ccccc1 ZINC000237087733 202147992 /nfs/dbraw/zinc/14/79/92/202147992.db2.gz QACFSPCDMMVAMF-UHFFFAOYSA-N 1 1 319.430 3.268 20 5 DGBDMO CCc1nn(C)cc1C[N@@H+](Cc1ccc([N+](=O)[O-])cc1)C(C)C ZINC000179696340 432067759 /nfs/dbraw/zinc/06/77/59/432067759.db2.gz KCJUKOVYFQVEHR-UHFFFAOYSA-N 1 1 316.405 3.301 20 5 DGBDMO Cc1ccc(CN2CCC[N@H+](C3CCCC3)CC2)cc1[N+](=O)[O-] ZINC000179769659 432070159 /nfs/dbraw/zinc/07/01/59/432070159.db2.gz GXHGDOUBSXKJCI-UHFFFAOYSA-N 1 1 317.433 3.354 20 5 DGBDMO C[C@@]1(O)CC[N@@H+](Cc2ccc(-c3ccccc3[N+](=O)[O-])s2)C1 ZINC000180190645 199128286 /nfs/dbraw/zinc/12/82/86/199128286.db2.gz GGIBOARRACIFKH-MRXNPFEDSA-N 1 1 318.398 3.280 20 5 DGBDMO CC(C)Oc1ccc([N+](=O)[O-])cc1C[N@@H+](C)[C@@H](CO)C(C)(C)C ZINC000134375197 432076871 /nfs/dbraw/zinc/07/68/71/432076871.db2.gz CRWVKAPODZNVKW-INIZCTEOSA-N 1 1 324.421 3.221 20 5 DGBDMO O=[N+]([O-])c1ccc(C[N@@H+]2CCC[C@@H]2c2ccncc2)cc1F ZINC000276327706 212805545 /nfs/dbraw/zinc/80/55/45/212805545.db2.gz QHVHYYSOVBFOOZ-OAHLLOKOSA-N 1 1 301.321 3.466 20 5 DGBDMO O=[N+]([O-])c1ccc(C[N@H+]2CCC[C@@H]2c2ccncc2)cc1F ZINC000276327706 212805549 /nfs/dbraw/zinc/80/55/49/212805549.db2.gz QHVHYYSOVBFOOZ-OAHLLOKOSA-N 1 1 301.321 3.466 20 5 DGBDMO Cc1cc([N+](=O)[O-])ccc1CN1CC[N@H+]([C@@H]2C[C@@H]2C)C[C@@H](C)C1 ZINC000430129900 238068255 /nfs/dbraw/zinc/06/82/55/238068255.db2.gz VOUSUUWIWZZOMQ-DHSIGJKJSA-N 1 1 317.433 3.065 20 5 DGBDMO COc1cc([N+](=O)[O-])ccc1C[N@@H+](C)C[C@H](C)c1nccs1 ZINC000430207127 238070987 /nfs/dbraw/zinc/07/09/87/238070987.db2.gz YVDRLTLTGYTSLY-NSHDSACASA-N 1 1 321.402 3.295 20 5 DGBDMO COCC[N@@H+](Cc1ccc([N+](=O)[O-])cc1OC)[C@H]1CCC[C@@H]1C ZINC000430239681 238072308 /nfs/dbraw/zinc/07/23/08/238072308.db2.gz BPZWEBJPMMEDED-BBRMVZONSA-N 1 1 322.405 3.240 20 5 DGBDMO C[C@H]1CCCC[N@H+]1CCCCNc1cc(N)ccc1[N+](=O)[O-] ZINC000193386731 201042529 /nfs/dbraw/zinc/04/25/29/201042529.db2.gz NNLJVOWEMQYVBG-ZDUSSCGKSA-N 1 1 306.410 3.244 20 5 DGBDMO COc1ccc(C[N@@H+]2CCC[C@@H](C(F)(F)F)C2)cc1[N+](=O)[O-] ZINC000193576688 201079116 /nfs/dbraw/zinc/07/91/16/201079116.db2.gz IPTHVNNONRSOPX-LLVKDONJSA-N 1 1 318.295 3.378 20 5 DGBDMO COc1ccc(C[N@H+]2CCC[C@@H](C(F)(F)F)C2)cc1[N+](=O)[O-] ZINC000193576688 201079119 /nfs/dbraw/zinc/07/91/19/201079119.db2.gz IPTHVNNONRSOPX-LLVKDONJSA-N 1 1 318.295 3.378 20 5 DGBDMO COc1ccc(OCC[N@H+]2CCC[C@@H](C)[C@H]2C)c([N+](=O)[O-])c1 ZINC000441444554 239053041 /nfs/dbraw/zinc/05/30/41/239053041.db2.gz DOVUQHVNYUTIKD-CHWSQXEVSA-N 1 1 308.378 3.103 20 5 DGBDMO O=[N+]([O-])c1cc(Cl)ccc1C[N@H+](CCO)Cc1ccccc1 ZINC000195083198 201335903 /nfs/dbraw/zinc/33/59/03/201335903.db2.gz OAWKCRFNZNTDGX-UHFFFAOYSA-N 1 1 320.776 3.243 20 5 DGBDMO O=[N+]([O-])c1cc(Cl)ccc1C[N@@H+](CCO)Cc1ccccc1 ZINC000195083198 201335905 /nfs/dbraw/zinc/33/59/05/201335905.db2.gz OAWKCRFNZNTDGX-UHFFFAOYSA-N 1 1 320.776 3.243 20 5 DGBDMO C[C@@H]1CN(c2ccc([N+](=O)[O-])c(OC(C)(C)C)c2)[C@@H](C)C[N@H+]1C ZINC000443504668 239206066 /nfs/dbraw/zinc/20/60/66/239206066.db2.gz YQZYBNAZEUDDTE-OLZOCXBDSA-N 1 1 321.421 3.301 20 5 DGBDMO Cc1cnc(C[N@@H+]2CCC[C@H](c3ccc([N+](=O)[O-])cc3)C2)n1C ZINC000449495162 240246432 /nfs/dbraw/zinc/24/64/32/240246432.db2.gz CMNVZCOHXJPVND-HNNXBMFYSA-N 1 1 314.389 3.016 20 5 DGBDMO Cc1cnc(C[N@H+]2CCC[C@H](c3ccc([N+](=O)[O-])cc3)C2)n1C ZINC000449495162 240246436 /nfs/dbraw/zinc/24/64/36/240246436.db2.gz CMNVZCOHXJPVND-HNNXBMFYSA-N 1 1 314.389 3.016 20 5 DGBDMO CCOc1ccc([N+](=O)[O-])cc1C[N@@H+]1CC[C@H](OCC)[C@H](C)C1 ZINC000449495971 240246887 /nfs/dbraw/zinc/24/68/87/240246887.db2.gz PDQOAIBGEHCSOV-CJNGLKHVSA-N 1 1 322.405 3.240 20 5 DGBDMO O=[N+]([O-])c1ccccc1/C=C/C[N@@H+]1CCC[C@@H]1[C@@H]1CCC[C@H]1O ZINC000449474004 240229211 /nfs/dbraw/zinc/22/92/11/240229211.db2.gz RHDOMGQRRTZGBH-CSTNVRLQSA-N 1 1 316.401 3.233 20 5 DGBDMO CC[C@@H]1C[C@H]1C[NH2+][C@H](c1nccn1C)c1ccc([N+](=O)[O-])cc1 ZINC000449483550 240234683 /nfs/dbraw/zinc/23/46/83/240234683.db2.gz JKNXTCRFFXIVSB-INWMFGNUSA-N 1 1 314.389 3.053 20 5 DGBDMO C[C@@H]1C[C@@H]2CCCC[C@H]2[N@H+]1CC(=O)Nc1ccccc1[N+](=O)[O-] ZINC000246213802 432107962 /nfs/dbraw/zinc/10/79/62/432107962.db2.gz YFDGLQJLNRAPAO-VNHYZAJKSA-N 1 1 317.389 3.186 20 5 DGBDMO C[NH+]1CCC[C@@H]1CC[N@H+]1CCC[C@@H](c2ccc([N+](=O)[O-])cc2)C1 ZINC000451543773 241165573 /nfs/dbraw/zinc/16/55/73/241165573.db2.gz CRQLBOKWMBNBTN-IAGOWNOFSA-N 1 1 317.433 3.259 20 5 DGBDMO C[N@@H+]1CCC[C@@H]1CCN1CCC[C@@H](c2ccc([N+](=O)[O-])cc2)C1 ZINC000451543773 241165578 /nfs/dbraw/zinc/16/55/78/241165578.db2.gz CRQLBOKWMBNBTN-IAGOWNOFSA-N 1 1 317.433 3.259 20 5 DGBDMO C[N@H+]1CCC[C@@H]1CCN1CCC[C@@H](c2ccc([N+](=O)[O-])cc2)C1 ZINC000451543773 241165587 /nfs/dbraw/zinc/16/55/87/241165587.db2.gz CRQLBOKWMBNBTN-IAGOWNOFSA-N 1 1 317.433 3.259 20 5 DGBDMO Cc1ccnc(C[N@@H+]2CCC[C@H](c3ccc([N+](=O)[O-])cc3)C2)n1 ZINC000451542873 241165916 /nfs/dbraw/zinc/16/59/16/241165916.db2.gz AMZACCSOMFHOKS-HNNXBMFYSA-N 1 1 312.373 3.073 20 5 DGBDMO Cc1ccnc(C[N@H+]2CCC[C@H](c3ccc([N+](=O)[O-])cc3)C2)n1 ZINC000451542873 241165921 /nfs/dbraw/zinc/16/59/21/241165921.db2.gz AMZACCSOMFHOKS-HNNXBMFYSA-N 1 1 312.373 3.073 20 5 DGBDMO O=[N+]([O-])c1ccc(OCC[N@H+]2CCC[C@]3(CCSC3)C2)cc1 ZINC000451971208 241288528 /nfs/dbraw/zinc/28/85/28/241288528.db2.gz ZMUUFGQPUJDQIC-INIZCTEOSA-N 1 1 322.430 3.193 20 5 DGBDMO CCOC(=O)C[C@@H](C)[N@@H+](C)C/C(C)=C\c1cccc([N+](=O)[O-])c1 ZINC000470206582 244158849 /nfs/dbraw/zinc/15/88/49/244158849.db2.gz RZPFNOPOHJTVTQ-RNQWEJQRSA-N 1 1 320.389 3.272 20 5 DGBDMO CCC1(CO)CC[NH+](Cc2c(Cl)cccc2[N+](=O)[O-])CC1 ZINC000119587510 284146204 /nfs/dbraw/zinc/14/62/04/284146204.db2.gz DSVRSTQYQUNONB-UHFFFAOYSA-N 1 1 312.797 3.233 20 5 DGBDMO Cc1ccc(CN(C)CC[C@H]2CCCC[N@H+]2C)cc1[N+](=O)[O-] ZINC000093659989 193285580 /nfs/dbraw/zinc/28/55/80/193285580.db2.gz CTSWSKPFAHRGDT-MRXNPFEDSA-N 1 1 305.422 3.209 20 5 DGBDMO CCOc1cc(N(C)CC[C@H]2CCCC[N@H+]2C)ccc1[N+](=O)[O-] ZINC000486981586 245009052 /nfs/dbraw/zinc/00/90/52/245009052.db2.gz OMVPQVWLVGIVNR-CQSZACIVSA-N 1 1 321.421 3.304 20 5 DGBDMO CCc1nc(C[N@H+](C)CCc2cccc([N+](=O)[O-])c2)cs1 ZINC000282454216 217009179 /nfs/dbraw/zinc/00/91/79/217009179.db2.gz MATNVJXFYWBWSV-UHFFFAOYSA-N 1 1 305.403 3.288 20 5 DGBDMO CCc1nc(C[N@@H+](C)CCc2cccc([N+](=O)[O-])c2)cs1 ZINC000282454216 217009183 /nfs/dbraw/zinc/00/91/83/217009183.db2.gz MATNVJXFYWBWSV-UHFFFAOYSA-N 1 1 305.403 3.288 20 5 DGBDMO COCC[N@@H+](CCc1ccc([N+](=O)[O-])cc1)[C@H]1CCC[C@H]1C ZINC000488102744 245146398 /nfs/dbraw/zinc/14/63/98/245146398.db2.gz HQCJHURFAGYWCK-PBHICJAKSA-N 1 1 306.406 3.274 20 5 DGBDMO C[N@H+](CCc1cccc([N+](=O)[O-])c1)Cc1cccnc1Cl ZINC000282502006 217044651 /nfs/dbraw/zinc/04/46/51/217044651.db2.gz QXMQXQBPIGQKJW-UHFFFAOYSA-N 1 1 305.765 3.318 20 5 DGBDMO C[N@@H+](CCc1cccc([N+](=O)[O-])c1)Cc1cccnc1Cl ZINC000282502006 217044654 /nfs/dbraw/zinc/04/46/54/217044654.db2.gz QXMQXQBPIGQKJW-UHFFFAOYSA-N 1 1 305.765 3.318 20 5 DGBDMO Cc1ccc([N+](=O)[O-])cc1NC(=O)C[N@H+](C)C1CCCCC1 ZINC000016445629 182045294 /nfs/dbraw/zinc/04/52/94/182045294.db2.gz UHORNKHGTUDUMJ-UHFFFAOYSA-N 1 1 305.378 3.106 20 5 DGBDMO CC[C@H]1CC[C@H](C)[N@H+]1CCC(=O)Nc1ccccc1[N+](=O)[O-] ZINC000283151218 217463761 /nfs/dbraw/zinc/46/37/61/217463761.db2.gz CJKJPZQGUNRCOX-STQMWFEESA-N 1 1 305.378 3.186 20 5 DGBDMO C[C@@H](c1ccccc1[N+](=O)[O-])N(C)CC[C@H]1CCCC[N@H+]1C ZINC000441356939 296240138 /nfs/dbraw/zinc/24/01/38/296240138.db2.gz MSOZICYDOJJXBM-LSDHHAIUSA-N 1 1 305.422 3.462 20 5 DGBDMO CC(C)Oc1ccc([N+](=O)[O-])cc1C[N@@H+]1[C@@H](C)CCC[C@H]1CO ZINC000136161195 432148633 /nfs/dbraw/zinc/14/86/33/432148633.db2.gz MNDCWTHVNUBMKA-BBRMVZONSA-N 1 1 322.405 3.117 20 5 DGBDMO CC(C)Oc1ccc([N+](=O)[O-])cc1C[N@H+]1[C@@H](C)CCC[C@H]1CO ZINC000136161195 432148637 /nfs/dbraw/zinc/14/86/37/432148637.db2.gz MNDCWTHVNUBMKA-BBRMVZONSA-N 1 1 322.405 3.117 20 5 DGBDMO C[N@@H+](CCc1ncc(-c2cccc([N+](=O)[O-])c2)o1)CC1CC1 ZINC000104675213 194023893 /nfs/dbraw/zinc/02/38/93/194023893.db2.gz PKMWRDAXDXRSPI-UHFFFAOYSA-N 1 1 301.346 3.134 20 5 DGBDMO C[C@@H](c1cccc(O)c1)[N@@H+](C)CCOc1ccccc1[N+](=O)[O-] ZINC000109782220 194286019 /nfs/dbraw/zinc/28/60/19/194286019.db2.gz KHOZKZQHKGVFST-ZDUSSCGKSA-N 1 1 316.357 3.372 20 5 DGBDMO COc1ccc(OCC[N@@H+](C(C)C)C2CCC2)c([N+](=O)[O-])c1 ZINC000173518797 533013075 /nfs/dbraw/zinc/01/30/75/533013075.db2.gz AQRFRSKTSKSDTO-UHFFFAOYSA-N 1 1 308.378 3.245 20 5 DGBDMO C[C@@H]1CC[N@@H+](Cc2ccc(-c3ccc([N+](=O)[O-])cc3)o2)[C@H]1CO ZINC000249088254 285053720 /nfs/dbraw/zinc/05/37/20/285053720.db2.gz MWJZQEXLMWECNH-WBMJQRKESA-N 1 1 316.357 3.058 20 5 DGBDMO C[C@H]1C[C@H](Nc2ccc([N+](=O)[O-])c3cccnc23)CC[N@H+]1C ZINC000336853243 253007642 /nfs/dbraw/zinc/00/76/42/253007642.db2.gz FYDZAXIFNNKISS-NWDGAFQWSA-N 1 1 300.362 3.038 20 5 DGBDMO CC[C@]1(C)CC[N@@H+](CCC(=O)Nc2ccccc2[N+](=O)[O-])C1 ZINC000337209264 253062595 /nfs/dbraw/zinc/06/25/95/253062595.db2.gz AOHMNLXVIHHDIL-MRXNPFEDSA-N 1 1 305.378 3.045 20 5 DGBDMO O=[N+]([O-])c1cc(Cl)cc(Cl)c1N1CC[N@H+]2CCC[C@@H]2C1 ZINC000341742449 285088286 /nfs/dbraw/zinc/08/82/86/285088286.db2.gz DTVXBNDQBINARB-SNVBAGLBSA-N 1 1 316.188 3.186 20 5 DGBDMO C[C@H]1CC[C@@H]([N@@H+](C)CCC(=O)Nc2ccccc2[N+](=O)[O-])C1 ZINC000337456832 253119001 /nfs/dbraw/zinc/11/90/01/253119001.db2.gz ICXKFMBXCKOGMI-QWHCGFSZSA-N 1 1 305.378 3.044 20 5 DGBDMO CCC[N@@H+](CCC(=O)Nc1ccccc1[N+](=O)[O-])CC(C)C ZINC000337336640 253091402 /nfs/dbraw/zinc/09/14/02/253091402.db2.gz NKPRNWYYARWGCY-UHFFFAOYSA-N 1 1 307.394 3.291 20 5 DGBDMO C[C@@H]1C[C@]1([NH2+]Cc1c([N+](=O)[O-])ncn1C)c1ccc(Cl)cc1 ZINC000337499262 253127770 /nfs/dbraw/zinc/12/77/70/253127770.db2.gz ULUIGTAISZRLKW-MEBBXXQBSA-N 1 1 320.780 3.007 20 5 DGBDMO COC(=O)C(C)(C)CC[N@@H+](Cc1cccc([N+](=O)[O-])c1)C1CC1 ZINC000338547988 253307564 /nfs/dbraw/zinc/30/75/64/253307564.db2.gz FQTHIFVKOBJYRY-UHFFFAOYSA-N 1 1 320.389 3.149 20 5 DGBDMO CC[N@@H+](C)CCNc1cc(C)c(C(F)(F)F)cc1[N+](=O)[O-] ZINC000338653807 253327706 /nfs/dbraw/zinc/32/77/06/253327706.db2.gz MWLQHPRMTDAQNF-UHFFFAOYSA-N 1 1 305.300 3.286 20 5 DGBDMO Cc1cc(NCC[N@@H+]2CC=CCC2)c2cccc([N+](=O)[O-])c2n1 ZINC000338714329 253340332 /nfs/dbraw/zinc/34/03/32/253340332.db2.gz XVAXHWGUKLJASE-UHFFFAOYSA-N 1 1 312.373 3.125 20 5 DGBDMO O=[N+]([O-])c1ccc(NCC[N@@H+]2CC=CCC2)cc1C(F)(F)F ZINC000338714378 253340624 /nfs/dbraw/zinc/34/06/24/253340624.db2.gz YSAFZKLCJWUBFB-UHFFFAOYSA-N 1 1 315.295 3.287 20 5 DGBDMO CC(=O)c1ccc(NC[C@@H](C)[N@H+]2CCCC[C@H]2C)c([N+](=O)[O-])c1 ZINC000339000407 253387263 /nfs/dbraw/zinc/38/72/63/253387263.db2.gz KYAIHMJIXZXPDF-CHWSQXEVSA-N 1 1 319.405 3.472 20 5 DGBDMO O=[N+]([O-])c1ccc(N2CC[C@@H]3[C@H](CCC[N@H+]3C3CC3)C2)cc1 ZINC000301751541 285128997 /nfs/dbraw/zinc/12/89/97/285128997.db2.gz BCVWXBGWMVVERT-CXAGYDPISA-N 1 1 301.390 3.048 20 5 DGBDMO O=[N+]([O-])c1ccc([C@H]2CCC[N@@H+](CCOCC(F)F)C2)cc1 ZINC000451544350 285139570 /nfs/dbraw/zinc/13/95/70/285139570.db2.gz DXXVUDNQAHEHFD-ZDUSSCGKSA-N 1 1 314.332 3.056 20 5 DGBDMO CC(C)Oc1ccc([N+](=O)[O-])cc1C[N@@H+](C)CC[C@@H]1CCCO1 ZINC000342601546 254016622 /nfs/dbraw/zinc/01/66/22/254016622.db2.gz WHHUJSOEIVCCBM-INIZCTEOSA-N 1 1 322.405 3.383 20 5 DGBDMO CCC[N@H+]1CCC[C@@H]1CNc1ccc(C(=O)CC)cc1[N+](=O)[O-] ZINC000343970754 254207796 /nfs/dbraw/zinc/20/77/96/254207796.db2.gz IOKJYUXUNINJLD-CQSZACIVSA-N 1 1 319.405 3.474 20 5 DGBDMO C[C@H](C(=O)Nc1ccccc1[N+](=O)[O-])[N@H+]1CCC[C@H](C2CC2)C1 ZINC000344090860 254224180 /nfs/dbraw/zinc/22/41/80/254224180.db2.gz JIKAQGWPQAUWPS-OCCSQVGLSA-N 1 1 317.389 3.044 20 5 DGBDMO C[C@H](C(=O)Nc1ccccc1[N+](=O)[O-])[N@@H+](C)CC1CCCC1 ZINC000344186929 254237109 /nfs/dbraw/zinc/23/71/09/254237109.db2.gz GCHVDWNWZSRHSW-GFCCVEGCSA-N 1 1 305.378 3.044 20 5 DGBDMO CC(C)(C)C[N@H+](C/C=C\c1ccccc1[N+](=O)[O-])CCCO ZINC000255870713 285183419 /nfs/dbraw/zinc/18/34/19/285183419.db2.gz ZVHPGGSVQJLVOS-TWGQIWQCSA-N 1 1 306.406 3.339 20 5 DGBDMO C[C@@H](C(=O)Nc1cccc([N+](=O)[O-])c1)[N@H+]1CCC[C@H](C2CC2)C1 ZINC000343993506 254210589 /nfs/dbraw/zinc/21/05/89/254210589.db2.gz OJUCGVVCGJARDX-JSGCOSHPSA-N 1 1 317.389 3.044 20 5 DGBDMO Cc1[nH+]ccn1-c1ccccc1CNc1ccc([N+](=O)[O-])nc1 ZINC000344421491 254268897 /nfs/dbraw/zinc/26/88/97/254268897.db2.gz PGSQFTKPNYZREF-UHFFFAOYSA-N 1 1 309.329 3.096 20 5 DGBDMO COc1cc([N+](=O)[O-])ccc1C[NH2+][C@H](C)c1cccc(O)c1 ZINC000430197686 533136826 /nfs/dbraw/zinc/13/68/26/533136826.db2.gz WEEYXLILOJCDQV-LLVKDONJSA-N 1 1 302.330 3.160 20 5 DGBDMO CC(=O)Nc1cccc([C@H](C)[NH2+]Cc2ccccc2[N+](=O)[O-])c1 ZINC000120693152 195218033 /nfs/dbraw/zinc/21/80/33/195218033.db2.gz AVOBPUUQZGNWCO-LBPRGKRZSA-N 1 1 313.357 3.404 20 5 DGBDMO COc1ccsc1C[N@@H+](C)CCc1ccccc1[N+](=O)[O-] ZINC000289582084 221083909 /nfs/dbraw/zinc/08/39/09/221083909.db2.gz UAZMOMOGVOBDLU-UHFFFAOYSA-N 1 1 306.387 3.339 20 5 DGBDMO Cc1cnn([C@@H]2CC[N@H+](Cc3cc(Cl)ccc3[N+](=O)[O-])C2)c1 ZINC000289699933 221165172 /nfs/dbraw/zinc/16/51/72/221165172.db2.gz BSPDKESKPICOAM-CQSZACIVSA-N 1 1 320.780 3.200 20 5 DGBDMO Cc1cnn([C@@H]2CC[N@@H+](Cc3cc(Cl)ccc3[N+](=O)[O-])C2)c1 ZINC000289699933 221165174 /nfs/dbraw/zinc/16/51/74/221165174.db2.gz BSPDKESKPICOAM-CQSZACIVSA-N 1 1 320.780 3.200 20 5 DGBDMO C[C@H](c1ccccc1[N+](=O)[O-])N1CC[N@H+](C2CC2)C[C@H](C)C1 ZINC000294950769 224333478 /nfs/dbraw/zinc/33/34/78/224333478.db2.gz ATIZOKHAKJCJSP-ZIAGYGMSSA-N 1 1 303.406 3.072 20 5 DGBDMO C/C(=C/c1cccc([N+](=O)[O-])c1)CN1CC[C@@H]2CC[N@H+](C)C[C@@H]21 ZINC000470200598 533383218 /nfs/dbraw/zinc/38/32/18/533383218.db2.gz CADBISOUQFWTIP-FHYOKYKPSA-N 1 1 315.417 3.024 20 5 DGBDMO C/C(=C/c1cccc([N+](=O)[O-])c1)C[N@H+]1CC[C@@H]2CCN(C)C[C@@H]21 ZINC000470200598 533383222 /nfs/dbraw/zinc/38/32/22/533383222.db2.gz CADBISOUQFWTIP-FHYOKYKPSA-N 1 1 315.417 3.024 20 5 DGBDMO C/C(=C/c1cccc([N+](=O)[O-])c1)C[N@@H+]1CC[C@@H]2CCN(C)C[C@@H]21 ZINC000470200598 533383226 /nfs/dbraw/zinc/38/32/26/533383226.db2.gz CADBISOUQFWTIP-FHYOKYKPSA-N 1 1 315.417 3.024 20 5 DGBDMO C/C(=C/c1cccc([N+](=O)[O-])c1)CN[C@@H]1CC[N@@H+]2CCC[C@H]2C1 ZINC000468648022 533385424 /nfs/dbraw/zinc/38/54/24/533385424.db2.gz MWOPCPYEUYZAIG-YWALDVPYSA-N 1 1 315.417 3.215 20 5 DGBDMO C/C(=C/c1cccc([N+](=O)[O-])c1)CN[C@@H]1CC[N@H+]2CCC[C@H]2C1 ZINC000468648022 533385430 /nfs/dbraw/zinc/38/54/30/533385430.db2.gz MWOPCPYEUYZAIG-YWALDVPYSA-N 1 1 315.417 3.215 20 5 DGBDMO COc1c(O)cccc1C[NH2+]C(C)(C)c1ccccc1[N+](=O)[O-] ZINC000292817658 533444419 /nfs/dbraw/zinc/44/44/19/533444419.db2.gz PNCGZQJACBDWJP-UHFFFAOYSA-N 1 1 316.357 3.334 20 5 DGBDMO C/C(=C\c1cccc([N+](=O)[O-])c1)C[N@@H+]1CCC[C@@H]1C[C@@H](C)O ZINC000470183038 533407250 /nfs/dbraw/zinc/40/72/50/533407250.db2.gz OXPAOKPWAPDTQT-YUOYJMCBSA-N 1 1 304.390 3.233 20 5 DGBDMO C/C(=C\c1cccc([N+](=O)[O-])c1)CNCC[N@@H+](C)C1CCCC1 ZINC000468643553 533409169 /nfs/dbraw/zinc/40/91/69/533409169.db2.gz QGZGIPBRUMPWCE-NTCAYCPXSA-N 1 1 317.433 3.462 20 5 DGBDMO C/C(=C\c1cccc([N+](=O)[O-])c1)CNCC[N@H+](C)C1CCCC1 ZINC000468643553 533409172 /nfs/dbraw/zinc/40/91/72/533409172.db2.gz QGZGIPBRUMPWCE-NTCAYCPXSA-N 1 1 317.433 3.462 20 5 DGBDMO C/C(=C\c1cccc([N+](=O)[O-])c1)C[NH2+][C@@H]1CCN(C)[C@H](C)C1 ZINC000468650667 533410235 /nfs/dbraw/zinc/41/02/35/533410235.db2.gz VFKCSVCJGLXUJR-YUOYJMCBSA-N 1 1 303.406 3.070 20 5 DGBDMO Cc1noc(C[NH+]2CCC(Cc3ccccc3)CC2)c1[N+](=O)[O-] ZINC000595287516 400117733 /nfs/dbraw/zinc/11/77/33/400117733.db2.gz FDFLKUMILDOAJN-UHFFFAOYSA-N 1 1 315.373 3.346 20 5 DGBDMO CC[C@@H](C)CC[NH2+][C@@H](c1nccn1C)c1ccc([N+](=O)[O-])cc1 ZINC000595071193 400098952 /nfs/dbraw/zinc/09/89/52/400098952.db2.gz ASBKSXKWUSYVBS-CZUORRHYSA-N 1 1 316.405 3.444 20 5 DGBDMO C[C@@H](c1nnc(-c2ccc([N+](=O)[O-])cc2)o1)[N@H+]1CCC[C@@H](C)C1 ZINC000007340593 400101876 /nfs/dbraw/zinc/10/18/76/400101876.db2.gz OYEXZCPTXPLTBL-NEPJUHHUSA-N 1 1 316.361 3.438 20 5 DGBDMO O=[N+]([O-])c1ccc(OCCC[N@H+]2CCC[C@@H]2[C@@H]2CCCO2)cc1 ZINC000285027346 400079267 /nfs/dbraw/zinc/07/92/67/400079267.db2.gz ZWSHDBADIJOPCY-SJORKVTESA-N 1 1 320.389 3.007 20 5 DGBDMO C[N@H+]1CC[C@]2(C1)CCCN(Cc1ccc(Cl)cc1[N+](=O)[O-])C2 ZINC000595508194 400172598 /nfs/dbraw/zinc/17/25/98/400172598.db2.gz VFUVVKJJUWANFL-INIZCTEOSA-N 1 1 323.824 3.166 20 5 DGBDMO O=[N+]([O-])c1cc(F)ccc1C[N@@H+]1CCCC[C@@H]1[C@@H]1CCC[C@@H]1O ZINC000595510037 400173508 /nfs/dbraw/zinc/17/35/08/400173508.db2.gz JHLPXTGSQZTRCZ-UXLLHSPISA-N 1 1 322.380 3.249 20 5 DGBDMO C[C@H]1CCCC[N@H+]1CCCNc1ccc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000017281799 400178371 /nfs/dbraw/zinc/17/83/71/400178371.db2.gz UBIJFQFZGWHENK-LBPRGKRZSA-N 1 1 322.365 3.179 20 5 DGBDMO Cc1nc(C[N@@H+]2CCC[C@H](c3ccc([N+](=O)[O-])cc3)C2)co1 ZINC000595524371 400178479 /nfs/dbraw/zinc/17/84/79/400178479.db2.gz MGFIAJKKFCSYFK-AWEZNQCLSA-N 1 1 301.346 3.271 20 5 DGBDMO Cc1nc(C[N@H+]2CCC[C@H](c3ccc([N+](=O)[O-])cc3)C2)co1 ZINC000595524371 400178482 /nfs/dbraw/zinc/17/84/82/400178482.db2.gz MGFIAJKKFCSYFK-AWEZNQCLSA-N 1 1 301.346 3.271 20 5 DGBDMO O=[N+]([O-])c1ccc(C[N@H+](C2CC2)C2(CO)CCC2)c(Cl)c1 ZINC000595533832 400179158 /nfs/dbraw/zinc/17/91/58/400179158.db2.gz OFNAXSMMFLNEAJ-UHFFFAOYSA-N 1 1 310.781 3.128 20 5 DGBDMO O=[N+]([O-])c1ccc(C[N@@H+](C2CC2)C2(CO)CCC2)c(Cl)c1 ZINC000595533832 400179164 /nfs/dbraw/zinc/17/91/64/400179164.db2.gz OFNAXSMMFLNEAJ-UHFFFAOYSA-N 1 1 310.781 3.128 20 5 DGBDMO CC[N@H+]1CC[C@H](N(C)Cc2ccc(F)cc2[N+](=O)[O-])C[C@H]1C ZINC000595346470 400131909 /nfs/dbraw/zinc/13/19/09/400131909.db2.gz JJYHIXORTYOBPN-DOMZBBRYSA-N 1 1 309.385 3.039 20 5 DGBDMO O=[N+]([O-])c1cc(F)ccc1C[N@H+]1CCC[C@H](C[C@@H]2CCOC2)C1 ZINC000595422060 400144408 /nfs/dbraw/zinc/14/44/08/400144408.db2.gz NLJSCOGOFDTDQN-KGLIPLIRSA-N 1 1 322.380 3.373 20 5 DGBDMO Cc1noc(C[N@H+]2CC[C@@H](c3cc(C)cc(C)c3)C2)c1[N+](=O)[O-] ZINC000595425073 400145865 /nfs/dbraw/zinc/14/58/65/400145865.db2.gz IWRRCUHHGRTBNF-CQSZACIVSA-N 1 1 315.373 3.498 20 5 DGBDMO Cc1ccc(C[N@H+](CCO)Cc2ccc(F)cc2[N+](=O)[O-])cc1 ZINC000595426692 400147355 /nfs/dbraw/zinc/14/73/55/400147355.db2.gz PQMCBLXKGTUFTM-UHFFFAOYSA-N 1 1 318.348 3.037 20 5 DGBDMO Cc1ccc(C[N@@H+](CCO)Cc2ccc(F)cc2[N+](=O)[O-])cc1 ZINC000595426692 400147357 /nfs/dbraw/zinc/14/73/57/400147357.db2.gz PQMCBLXKGTUFTM-UHFFFAOYSA-N 1 1 318.348 3.037 20 5 DGBDMO CC(C)([NH2+]Cc1csc([N+](=O)[O-])c1)C(=O)Nc1ccccc1 ZINC000609392967 400165429 /nfs/dbraw/zinc/16/54/29/400165429.db2.gz JCBKUHDIIGHYPP-UHFFFAOYSA-N 1 1 319.386 3.163 20 5 DGBDMO C[C@@H](CNc1ccc([N+](=O)[O-])c(OC(F)F)c1)[N@@H+](C)C1CC1 ZINC000092649543 400188299 /nfs/dbraw/zinc/18/82/99/400188299.db2.gz VSNXFUKWUBUNRG-VIFPVBQESA-N 1 1 315.320 3.091 20 5 DGBDMO C[C@@H]1CCC[N@@H+](Cc2ccc(Cl)cc2[N+](=O)[O-])[C@@H]1CCO ZINC000595706026 400237196 /nfs/dbraw/zinc/23/71/96/400237196.db2.gz WRGKYURGEMBWAT-BXUZGUMPSA-N 1 1 312.797 3.231 20 5 DGBDMO O=[N+]([O-])c1ccc2[nH+]ccc(N3CC[C@H]([C@H]4CCOC4)C3)c2c1 ZINC000601132539 400243923 /nfs/dbraw/zinc/24/39/23/400243923.db2.gz JBYVYMZKHHHAKU-STQMWFEESA-N 1 1 313.357 3.006 20 5 DGBDMO C[N@H+](Cc1cnn(-c2ccccc2)c1)Cc1ccc([N+](=O)[O-])cc1 ZINC000025929702 400247678 /nfs/dbraw/zinc/24/76/78/400247678.db2.gz ORCUKFATZZJHRP-UHFFFAOYSA-N 1 1 322.368 3.413 20 5 DGBDMO C[N@@H+](Cc1cnn(-c2ccccc2)c1)Cc1ccc([N+](=O)[O-])cc1 ZINC000025929702 400247681 /nfs/dbraw/zinc/24/76/81/400247681.db2.gz ORCUKFATZZJHRP-UHFFFAOYSA-N 1 1 322.368 3.413 20 5 DGBDMO COC[C@H]1CCCCN(c2cc[nH+]c3ccc([N+](=O)[O-])cc32)C1 ZINC000601144286 400247968 /nfs/dbraw/zinc/24/79/68/400247968.db2.gz RZPQJKKKVMGDNO-ZDUSSCGKSA-N 1 1 315.373 3.396 20 5 DGBDMO CC[C@]1(CO)CCCN(c2cc[nH+]c3ccc([N+](=O)[O-])cc32)C1 ZINC000601149717 400250092 /nfs/dbraw/zinc/25/00/92/400250092.db2.gz QKQJXMMYBIWEMM-KRWDZBQOSA-N 1 1 315.373 3.132 20 5 DGBDMO CC[N@H+](Cc1ccc2c(c1)OCO2)Cc1ccccc1[N+](=O)[O-] ZINC000022747698 400204095 /nfs/dbraw/zinc/20/40/95/400204095.db2.gz VUKWWYDPBJFDDK-UHFFFAOYSA-N 1 1 314.341 3.346 20 5 DGBDMO CC[N@@H+](Cc1ccc2c(c1)OCO2)Cc1ccccc1[N+](=O)[O-] ZINC000022747698 400204102 /nfs/dbraw/zinc/20/41/02/400204102.db2.gz VUKWWYDPBJFDDK-UHFFFAOYSA-N 1 1 314.341 3.346 20 5 DGBDMO CCc1nc(C)c(CNc2cc[nH+]c3ccc([N+](=O)[O-])cc23)o1 ZINC000601167885 400254747 /nfs/dbraw/zinc/25/47/47/400254747.db2.gz IBSZZUFBWQTFOJ-UHFFFAOYSA-N 1 1 312.329 3.036 20 5 DGBDMO O=[N+]([O-])c1ccc(NCCc2[nH+]ccn2Cc2ccccc2)cc1 ZINC000024203471 400216989 /nfs/dbraw/zinc/21/69/89/400216989.db2.gz ROZUKIGORIOQHY-UHFFFAOYSA-N 1 1 322.368 3.494 20 5 DGBDMO CCOc1ccc([N+](=O)[O-])cc1C[N@H+](C)Cc1ccn(CC)c1 ZINC000616737743 400217791 /nfs/dbraw/zinc/21/77/91/400217791.db2.gz IDOLEEPSIRBBDM-UHFFFAOYSA-N 1 1 317.389 3.447 20 5 DGBDMO CCOc1ccc([N+](=O)[O-])cc1C[N@@H+](C)Cc1ccn(CC)c1 ZINC000616737743 400217795 /nfs/dbraw/zinc/21/77/95/400217795.db2.gz IDOLEEPSIRBBDM-UHFFFAOYSA-N 1 1 317.389 3.447 20 5 DGBDMO C[C@H](c1nnc(-c2ccc([N+](=O)[O-])cc2)o1)[N@H+]1CC[C@H]2C[C@H]2C1 ZINC000595808260 400265478 /nfs/dbraw/zinc/26/54/78/400265478.db2.gz BQQNZVMVCOKDTE-WXHSDQCUSA-N 1 1 314.345 3.048 20 5 DGBDMO CC[N@H+]1CCCN(c2ccc(C(F)(F)F)c([N+](=O)[O-])c2)CC1 ZINC000596121235 400323440 /nfs/dbraw/zinc/32/34/40/400323440.db2.gz YDRIROBRFWVPOL-UHFFFAOYSA-N 1 1 317.311 3.146 20 5 DGBDMO O=[N+]([O-])c1ccccc1C[NH+]1CC(c2nc3ccccc3[nH]2)C1 ZINC000610701527 400293072 /nfs/dbraw/zinc/29/30/72/400293072.db2.gz XMOSHEDLTOZFTC-UHFFFAOYSA-N 1 1 308.341 3.071 20 5 DGBDMO CCCC[C@@H](C)[N@@H+](C)Cc1cc2c(cc1[N+](=O)[O-])OCCO2 ZINC000589521550 400304468 /nfs/dbraw/zinc/30/44/68/400304468.db2.gz FVMHXEQPDCSNCN-GFCCVEGCSA-N 1 1 308.378 3.377 20 5 DGBDMO CC(C)[C@H]([NH3+])CCNCc1ccc(-c2cccc([N+](=O)[O-])c2)o1 ZINC000596101337 400318099 /nfs/dbraw/zinc/31/80/99/400318099.db2.gz GBQFKUBBFQNBAX-MRXNPFEDSA-N 1 1 317.389 3.318 20 5 DGBDMO CC[C@@H]1CCC[N@H+]([C@@H](C)C(=O)Nc2ccc([N+](=O)[O-])cc2)C1 ZINC000030142746 400320828 /nfs/dbraw/zinc/32/08/28/400320828.db2.gz KNDAKCYJLUCJCH-QWHCGFSZSA-N 1 1 305.378 3.044 20 5 DGBDMO CC[C@@H]1CC[C@@H](C)[N@@H+](Cc2cc([N+](=O)[O-])cc3c2OCOC3)C1 ZINC000595785562 400259060 /nfs/dbraw/zinc/25/90/60/400259060.db2.gz XXUQPTBXGUJEDL-CHWSQXEVSA-N 1 1 320.389 3.472 20 5 DGBDMO C[C@H](CNc1ccccc1[N+](=O)[O-])[N@H+]1CCc2ccccc2C1 ZINC000026729788 400261968 /nfs/dbraw/zinc/26/19/68/400261968.db2.gz RJMBRRSSYUVLIQ-CQSZACIVSA-N 1 1 311.385 3.454 20 5 DGBDMO O=[N+]([O-])c1ccc(OCCC[N@H+]2CCOCC23CCCC3)cc1 ZINC000611194911 400358489 /nfs/dbraw/zinc/35/84/89/400358489.db2.gz UHFGNEFTRQULSF-UHFFFAOYSA-N 1 1 320.389 3.009 20 5 DGBDMO COc1cc([N+](=O)[O-])ccc1OC[C@H]1CCCC[N@H+]1C(C)C ZINC000596254894 400362561 /nfs/dbraw/zinc/36/25/61/400362561.db2.gz UCHIQTBTCCRWLO-CQSZACIVSA-N 1 1 308.378 3.245 20 5 DGBDMO CCOC(=O)CC[N@H+](Cc1ccc(C)c([N+](=O)[O-])c1)CC1CC1 ZINC000611265139 400368377 /nfs/dbraw/zinc/36/83/77/400368377.db2.gz BHXSWGRSAPQFKM-UHFFFAOYSA-N 1 1 320.389 3.068 20 5 DGBDMO CC(C)C[C@H]1CC[N@@H+](Cc2cc3c(cc2[N+](=O)[O-])OCCO3)C1 ZINC000611271423 400371713 /nfs/dbraw/zinc/37/17/13/400371713.db2.gz BAXNIUYKKHOIMY-CYBMUJFWSA-N 1 1 320.389 3.234 20 5 DGBDMO COc1ccc([N+](=O)[O-])cc1C[NH2+][C@@H](C)c1ccc(C)nc1C ZINC000611300331 400375473 /nfs/dbraw/zinc/37/54/73/400375473.db2.gz LVHHBLWIOVVWSZ-LBPRGKRZSA-N 1 1 315.373 3.466 20 5 DGBDMO CCOc1cccc(NC[C@@H]2CC[N@H+]2C(C)(C)C)c1[N+](=O)[O-] ZINC000596309441 400376789 /nfs/dbraw/zinc/37/67/89/400376789.db2.gz RWQJDSLTEMDBNN-LBPRGKRZSA-N 1 1 307.394 3.278 20 5 DGBDMO Cc1ccccc1C[NH+]1CCN(c2sccc2[N+](=O)[O-])CC1 ZINC000611411017 400395573 /nfs/dbraw/zinc/39/55/73/400395573.db2.gz KJUIZBKEFYUVDL-UHFFFAOYSA-N 1 1 317.414 3.287 20 5 DGBDMO CC[C@H]1C[C@H](C)C[N@H+]1CCC(=O)Nc1cccc([N+](=O)[O-])c1C ZINC000072698159 400398419 /nfs/dbraw/zinc/39/84/19/400398419.db2.gz HIALTNODXMIOSE-JSGCOSHPSA-N 1 1 319.405 3.352 20 5 DGBDMO CC[C@H]1C[C@H](C)C[N@H+]1Cc1nc(-c2ccc([N+](=O)[O-])cc2)no1 ZINC000072697555 400398685 /nfs/dbraw/zinc/39/86/85/400398685.db2.gz OEOUOTHYDWMEEK-AAEUAGOBSA-N 1 1 316.361 3.265 20 5 DGBDMO CCC[N@H+]1CC[C@H](Nc2nccc3c2cccc3[N+](=O)[O-])C1 ZINC000596518549 400436618 /nfs/dbraw/zinc/43/66/18/400436618.db2.gz WJJPOBAJPQWZBC-LBPRGKRZSA-N 1 1 300.362 3.039 20 5 DGBDMO COc1cccc(NC[C@H]2CCC[N@@H+](CC3CC3)C2)c1[N+](=O)[O-] ZINC000596570029 400446640 /nfs/dbraw/zinc/44/66/40/400446640.db2.gz HEKRDQSKDGWFDV-CQSZACIVSA-N 1 1 319.405 3.137 20 5 DGBDMO O=[N+]([O-])c1cccc(F)c1NC[C@H]1CCC[N@@H+](CC2CC2)C1 ZINC000596570055 400446665 /nfs/dbraw/zinc/44/66/65/400446665.db2.gz IGRVHMCAJKWRPX-CYBMUJFWSA-N 1 1 307.369 3.268 20 5 DGBDMO O=[N+]([O-])c1ccc(C[N@@H+]2CCC[C@H](n3ccnc3)C2)c(Cl)c1 ZINC000611782103 400452810 /nfs/dbraw/zinc/45/28/10/400452810.db2.gz MRFRTEJYSZXJPL-AWEZNQCLSA-N 1 1 320.780 3.282 20 5 DGBDMO O=[N+]([O-])c1ccc(C[N@H+]2CCC[C@H](n3ccnc3)C2)c(Cl)c1 ZINC000611782103 400452815 /nfs/dbraw/zinc/45/28/15/400452815.db2.gz MRFRTEJYSZXJPL-AWEZNQCLSA-N 1 1 320.780 3.282 20 5 DGBDMO C[N@H+](Cc1ccc(C(F)(F)F)cc1[N+](=O)[O-])C[C@H]1CCOC1 ZINC000602484463 400476107 /nfs/dbraw/zinc/47/61/07/400476107.db2.gz NAOZFAUKAUZYOC-SNVBAGLBSA-N 1 1 318.295 3.082 20 5 DGBDMO C[C@@H](C(=O)Nc1cccc([N+](=O)[O-])c1)[N@H+]1CC[C@@H](C2CCC2)C1 ZINC000591061957 400480763 /nfs/dbraw/zinc/48/07/63/400480763.db2.gz PNPAEDPKKVXMBS-GXTWGEPZSA-N 1 1 317.389 3.044 20 5 DGBDMO CO[C@H](C)C[N@H+](C)Cc1ccc(C(F)(F)F)cc1[N+](=O)[O-] ZINC000602652703 400524256 /nfs/dbraw/zinc/52/42/56/400524256.db2.gz FDXOIKLWRLWLDZ-SECBINFHSA-N 1 1 306.284 3.080 20 5 DGBDMO CO[C@H](C)C[N@@H+](C)Cc1ccc(C(F)(F)F)cc1[N+](=O)[O-] ZINC000602652703 400524260 /nfs/dbraw/zinc/52/42/60/400524260.db2.gz FDXOIKLWRLWLDZ-SECBINFHSA-N 1 1 306.284 3.080 20 5 DGBDMO Cc1cc(NC[C@@H](C)[N@@H+](C)Cc2ccccc2)ncc1[N+](=O)[O-] ZINC000074750235 400532529 /nfs/dbraw/zinc/53/25/29/400532529.db2.gz AQBZMFVGHXHKHN-CQSZACIVSA-N 1 1 314.389 3.231 20 5 DGBDMO Cc1ncc([N+](=O)[O-])n1CC[N@H+](C)[C@H](C)c1ccc(F)c(F)c1 ZINC000602758003 400565051 /nfs/dbraw/zinc/56/50/51/400565051.db2.gz DOIGHNUDTVXCOU-SNVBAGLBSA-N 1 1 324.331 3.071 20 5 DGBDMO Cc1ncc([N+](=O)[O-])n1CC[N@H+](C)[C@H](C)c1ccccc1Cl ZINC000602765349 400567648 /nfs/dbraw/zinc/56/76/48/400567648.db2.gz JITJDFOSRXDGPW-LLVKDONJSA-N 1 1 322.796 3.446 20 5 DGBDMO C[N@@H+](CCC(C)(C)C)Cc1cc([N+](=O)[O-])cc2c1OCOC2 ZINC000592144217 400612987 /nfs/dbraw/zinc/61/29/87/400612987.db2.gz DNCGSYAHBMQXAH-UHFFFAOYSA-N 1 1 308.378 3.329 20 5 DGBDMO C[N@@H+](Cc1ccc([N+](=O)[O-])cc1)[C@H](CCO)c1ccccc1 ZINC000075897549 400618872 /nfs/dbraw/zinc/61/88/72/400618872.db2.gz PBHFGZVOJYTEDH-QGZVFWFLSA-N 1 1 300.358 3.150 20 5 DGBDMO CC(C)c1ccc(C[N@H+]2CCC[C@](O)(C3CC3)C2)cc1[N+](=O)[O-] ZINC000597204336 400587483 /nfs/dbraw/zinc/58/74/83/400587483.db2.gz HSIGVHUJZSWQHJ-GOSISDBHSA-N 1 1 318.417 3.455 20 5 DGBDMO Cc1ccc(C[N@@H+]2Cc3c[nH]nc3CC(C)(C)C2)cc1[N+](=O)[O-] ZINC000597258026 400601896 /nfs/dbraw/zinc/60/18/96/400601896.db2.gz JZVPOTVFFBFUAG-UHFFFAOYSA-N 1 1 314.389 3.211 20 5 DGBDMO Cc1ccc(C[N@H+]2Cc3c[nH]nc3CC(C)(C)C2)cc1[N+](=O)[O-] ZINC000597258026 400601901 /nfs/dbraw/zinc/60/19/01/400601901.db2.gz JZVPOTVFFBFUAG-UHFFFAOYSA-N 1 1 314.389 3.211 20 5 DGBDMO CC(C)[N@H+](Cc1cc2c(cc1[N+](=O)[O-])OCCO2)CC1CCC1 ZINC000618618004 400644525 /nfs/dbraw/zinc/64/45/25/400644525.db2.gz ASWUHNBTBXTJSQ-UHFFFAOYSA-N 1 1 320.389 3.377 20 5 DGBDMO Cc1ccc([N+](=O)[O-])c(C)c1NC(=O)C[N@@H+]1[C@H](C)CC[C@@H]1C ZINC000597665793 400657625 /nfs/dbraw/zinc/65/76/25/400657625.db2.gz GKCMTERQRRLQAV-TXEJJXNPSA-N 1 1 305.378 3.023 20 5 DGBDMO CC[N@@H+](CCSC)Cc1cc([N+](=O)[O-])ccc1OC(F)F ZINC000592530093 400666007 /nfs/dbraw/zinc/66/60/07/400666007.db2.gz WLAHXAUUTLKAFZ-UHFFFAOYSA-N 1 1 320.361 3.381 20 5 DGBDMO Cc1nccc([C@H]2CCC[N@@H+](Cc3ccccc3[N+](=O)[O-])C2)n1 ZINC000603834423 400720504 /nfs/dbraw/zinc/72/05/04/400720504.db2.gz SYIJMIZKWWDKAB-AWEZNQCLSA-N 1 1 312.373 3.073 20 5 DGBDMO C[N@@H+](Cc1ccccc1)[C@@H]1CCN(c2ccc([N+](=O)[O-])s2)C1 ZINC000078506854 400805999 /nfs/dbraw/zinc/80/59/99/400805999.db2.gz HAHZHNPUAOZXLP-CQSZACIVSA-N 1 1 317.414 3.367 20 5 DGBDMO CC[N@@H+](C)Cc1cccc(CNc2ncc(C)cc2[N+](=O)[O-])c1 ZINC000078653747 400816482 /nfs/dbraw/zinc/81/64/82/400816482.db2.gz LMGXBVKYZWMZBF-UHFFFAOYSA-N 1 1 314.389 3.362 20 5 DGBDMO Cc1[nH+]ccn1CCCNc1ccc2ncccc2c1[N+](=O)[O-] ZINC000078333445 400788968 /nfs/dbraw/zinc/78/89/68/400788968.db2.gz BPKDOWQKQICEDA-UHFFFAOYSA-N 1 1 311.345 3.150 20 5 DGBDMO CC(C)O[C@H]1CCC[N@@H+](C/C=C\c2ccccc2[N+](=O)[O-])C1 ZINC000593660331 400888028 /nfs/dbraw/zinc/88/80/28/400888028.db2.gz PCTOEERZAVGYLV-SBSDFTTDSA-N 1 1 304.390 3.497 20 5 DGBDMO Cc1c(CN2CCC[N@H+](C3CCCC3)CC2)cccc1[N+](=O)[O-] ZINC000172579408 400832883 /nfs/dbraw/zinc/83/28/83/400832883.db2.gz HRBJUOUPCJTHFI-UHFFFAOYSA-N 1 1 317.433 3.354 20 5 DGBDMO CCOc1cncc(C[NH2+][C@H](C)c2ccccc2[N+](=O)[O-])c1 ZINC000598639206 400848143 /nfs/dbraw/zinc/84/81/43/400848143.db2.gz RNUZNBAOFIXLNQ-GFCCVEGCSA-N 1 1 301.346 3.239 20 5 DGBDMO CCC(=O)c1ccc(N[C@@H]2CC[N@@H+](CC3CC3)C2)c([N+](=O)[O-])c1 ZINC000619480621 400854704 /nfs/dbraw/zinc/85/47/04/400854704.db2.gz FBUAOBLRWCALQK-CQSZACIVSA-N 1 1 317.389 3.084 20 5 DGBDMO C[C@@H]1C[C@H](C)C[N@H+](CCCCNc2ccc([N+](=O)[O-])cn2)C1 ZINC000079927325 400907136 /nfs/dbraw/zinc/90/71/36/400907136.db2.gz NAZOEXXGGSOCNE-OKILXGFUSA-N 1 1 306.410 3.160 20 5 DGBDMO COc1ccc(C[N@H+]2CCC[C@@H](OC3CCC3)C2)cc1[N+](=O)[O-] ZINC000594026376 400953020 /nfs/dbraw/zinc/95/30/20/400953020.db2.gz KFFQQNOOYUCRCT-OAHLLOKOSA-N 1 1 320.389 3.137 20 5 DGBDMO C[N@H+]1CCCC[C@H](CNCc2ccc([N+](=O)[O-])cc2Cl)C1 ZINC000598993390 400923452 /nfs/dbraw/zinc/92/34/52/400923452.db2.gz AWLMXQMWTAMXNV-GFCCVEGCSA-N 1 1 311.813 3.070 20 5 DGBDMO COc1cc(NC[C@@H]2CC[N@H+]2C2CCCC2)ccc1[N+](=O)[O-] ZINC000599165219 400982736 /nfs/dbraw/zinc/98/27/36/400982736.db2.gz NWMYFJXKKRWYSH-AWEZNQCLSA-N 1 1 305.378 3.032 20 5 DGBDMO Cn1nc(C[NH2+][C@@H]2CCc3c2cccc3[N+](=O)[O-])c2ccccc21 ZINC000594501115 401082991 /nfs/dbraw/zinc/08/29/91/401082991.db2.gz RECBCNJSAOMVRO-OAHLLOKOSA-N 1 1 322.368 3.259 20 5 DGBDMO O=C(CC[N@H+]1CCCC2(CC2)CC1)Nc1ccccc1[N+](=O)[O-] ZINC000599673253 401107705 /nfs/dbraw/zinc/10/77/05/401107705.db2.gz MXNVUCRPQUBKCL-UHFFFAOYSA-N 1 1 317.389 3.190 20 5 DGBDMO Cc1cc([N+](=O)[O-])ccc1NC(=O)C[N@@H+]1C[C@@H]2CCCC[C@@]21C ZINC000599676073 401110415 /nfs/dbraw/zinc/11/04/15/401110415.db2.gz XQOKCPSKWVNSCX-GUYCJALGSA-N 1 1 317.389 3.106 20 5 DGBDMO Cc1cc([N+](=O)[O-])ccc1NC(=O)C[N@H+]1C[C@@H]2CCCC[C@@]21C ZINC000599676073 401110423 /nfs/dbraw/zinc/11/04/23/401110423.db2.gz XQOKCPSKWVNSCX-GUYCJALGSA-N 1 1 317.389 3.106 20 5 DGBDMO C/C(=C/c1cccc([N+](=O)[O-])c1)CN[C@@H]1CC[N@H+](CC2CC2)C1 ZINC000615724217 401143486 /nfs/dbraw/zinc/14/34/86/401143486.db2.gz WPKAIMXUDWBJEF-CRPZLVSXSA-N 1 1 315.417 3.072 20 5 DGBDMO C/C(=C/c1cccc([N+](=O)[O-])c1)CN[C@@H]1CC[N@@H+](CC2CC2)C1 ZINC000615724217 401143491 /nfs/dbraw/zinc/14/34/91/401143491.db2.gz WPKAIMXUDWBJEF-CRPZLVSXSA-N 1 1 315.417 3.072 20 5 DGBDMO CC(=O)c1ccc(NCCC[N@@H+]2CCCC[C@@H]2C)c([N+](=O)[O-])c1 ZINC000060991753 401143996 /nfs/dbraw/zinc/14/39/96/401143996.db2.gz CVPDXMBRVZKGPF-ZDUSSCGKSA-N 1 1 319.405 3.474 20 5 DGBDMO C[C@H]1CC(F)(F)CC[N@H+]1CCCOc1ccc([N+](=O)[O-])cc1 ZINC000599622537 401094318 /nfs/dbraw/zinc/09/43/18/401094318.db2.gz JXUCPJXOKZXQOL-LBPRGKRZSA-N 1 1 314.332 3.483 20 5 DGBDMO COc1cc([N+](=O)[O-])ccc1C[N@@H+]1CCC(F)(F)C[C@@H]1C ZINC000599629180 401095377 /nfs/dbraw/zinc/09/53/77/401095377.db2.gz XVFBLXRNURQOID-JTQLQIEISA-N 1 1 300.305 3.223 20 5 DGBDMO COc1cc([N+](=O)[O-])ccc1C[N@H+]1CCC(F)(F)C[C@@H]1C ZINC000599629180 401095381 /nfs/dbraw/zinc/09/53/81/401095381.db2.gz XVFBLXRNURQOID-JTQLQIEISA-N 1 1 300.305 3.223 20 5 DGBDMO O=[N+]([O-])c1ccc(CN[C@H]2CCC[N@H+]3CCCC[C@@H]23)c(Cl)c1 ZINC000594518579 401095640 /nfs/dbraw/zinc/09/56/40/401095640.db2.gz IEWLWTTXXBDXMP-HOTGVXAUSA-N 1 1 323.824 3.355 20 5 DGBDMO O=[N+]([O-])c1ccc(C[NH2+][C@H]2CCCN3CCCC[C@@H]23)c(Cl)c1 ZINC000594518579 401095646 /nfs/dbraw/zinc/09/56/46/401095646.db2.gz IEWLWTTXXBDXMP-HOTGVXAUSA-N 1 1 323.824 3.355 20 5 DGBDMO Cc1ccc(NC(=O)[C@H](c2ccccc2)[NH+](C)C)cc1[N+](=O)[O-] ZINC000063500199 401196846 /nfs/dbraw/zinc/19/68/46/401196846.db2.gz ZBFMRQYRJWGCIB-INIZCTEOSA-N 1 1 313.357 3.145 20 5 DGBDMO CC[C@H](C[NH2+][C@@H](C)c1ccc([N+](=O)[O-])cc1OC)N1CCCC1 ZINC000595006670 401226491 /nfs/dbraw/zinc/22/64/91/401226491.db2.gz HYRVKTOHNQNGPR-UONOGXRCSA-N 1 1 321.421 3.128 20 5 DGBDMO C/C(=C/c1cccc([N+](=O)[O-])c1)CN[C@H]1CC[N@@H+](C(C)(C)C)C1 ZINC000594955922 401207491 /nfs/dbraw/zinc/20/74/91/401207491.db2.gz HJPULEPYGSVIEK-DNXIFWLFSA-N 1 1 317.433 3.461 20 5 DGBDMO C/C(=C/c1cccc([N+](=O)[O-])c1)CN[C@H]1CC[N@H+](C(C)(C)C)C1 ZINC000594955922 401207495 /nfs/dbraw/zinc/20/74/95/401207495.db2.gz HJPULEPYGSVIEK-DNXIFWLFSA-N 1 1 317.433 3.461 20 5 DGBDMO C[N@@H+](Cc1ccc(-c2cccc([N+](=O)[O-])c2)o1)CC1(C)COC1 ZINC000600189990 401216303 /nfs/dbraw/zinc/21/63/03/401216303.db2.gz JCVYMCMQWMYBCI-UHFFFAOYSA-N 1 1 316.357 3.323 20 5 DGBDMO COc1cc([N+](=O)[O-])ccc1[C@H](C)[NH2+]CC1(N(C)C)CCCC1 ZINC000595003305 401225982 /nfs/dbraw/zinc/22/59/82/401225982.db2.gz GQXNPBNRLPVLMS-ZDUSSCGKSA-N 1 1 321.421 3.128 20 5 DGBDMO COc1cc([N+](=O)[O-])ccc1[C@H](C)[NH2+][C@@H](C)c1ccccn1 ZINC000595005741 401226670 /nfs/dbraw/zinc/22/66/70/401226670.db2.gz DLIHSPLBTKKGND-RYUDHWBXSA-N 1 1 301.346 3.410 20 5 DGBDMO COc1cc([N+](=O)[O-])ccc1[C@@H](C)[NH2+][C@@H](C)CN1CCCCC1 ZINC000595008963 401229401 /nfs/dbraw/zinc/22/94/01/401229401.db2.gz WTPQWMILVKVRIT-UONOGXRCSA-N 1 1 321.421 3.128 20 5 DGBDMO COc1cc([N+](=O)[O-])ccc1[C@H](C)[NH2+][C@H](C)c1cn(C)nc1C ZINC000595010815 401230634 /nfs/dbraw/zinc/23/06/34/401230634.db2.gz IPPXPBIOHHLHAR-WDEREUQCSA-N 1 1 318.377 3.057 20 5 DGBDMO COc1cc([N+](=O)[O-])ccc1[C@@H](C)[NH2+]Cc1ccc(C)nc1 ZINC000595011264 401231255 /nfs/dbraw/zinc/23/12/55/401231255.db2.gz KXTJHVQQKTZFNM-GFCCVEGCSA-N 1 1 301.346 3.158 20 5 DGBDMO COCC[N@@H+](CCc1ccc([N+](=O)[O-])cc1)Cc1cccs1 ZINC000358576115 286097615 /nfs/dbraw/zinc/09/76/15/286097615.db2.gz GFXQPIJKJNOHDR-UHFFFAOYSA-N 1 1 320.414 3.347 20 5 DGBDMO CCC(=O)c1ccc(NCC[N@H+]2CCC[C@H](C)C2)c([N+](=O)[O-])c1 ZINC000358945952 286194547 /nfs/dbraw/zinc/19/45/47/286194547.db2.gz HALPDKKONIDEPP-ZDUSSCGKSA-N 1 1 319.405 3.331 20 5 DGBDMO CCC(=O)c1ccc(NC[C@@H]2CCC[N@@H+]2CC)c([N+](=O)[O-])c1 ZINC000359374149 286295486 /nfs/dbraw/zinc/29/54/86/286295486.db2.gz WKCXFTUNEBGALM-ZDUSSCGKSA-N 1 1 305.378 3.084 20 5 DGBDMO CCn1nc(C)c([N+](=O)[O-])c1NC[C@H]1CCCC[N@H+]1CC(C)C ZINC000359591438 286342983 /nfs/dbraw/zinc/34/29/83/286342983.db2.gz LOHVEGYDZSRSHY-CQSZACIVSA-N 1 1 323.441 3.042 20 5 DGBDMO CCn1nc(C)c([N+](=O)[O-])c1NC[C@@H]1CCCC[N@H+]1CC(C)C ZINC000359591436 286342994 /nfs/dbraw/zinc/34/29/94/286342994.db2.gz LOHVEGYDZSRSHY-AWEZNQCLSA-N 1 1 323.441 3.042 20 5 DGBDMO COC[C@@H](Cc1ccccc1)[N@@H+](C)Cc1cccc([N+](=O)[O-])c1 ZINC000191467620 165253169 /nfs/dbraw/zinc/25/31/69/165253169.db2.gz QZYPCURAJMSUDX-GOSISDBHSA-N 1 1 314.385 3.284 20 5 DGBDMO COC[C@H](Cc1ccccc1)[N@@H+](C)Cc1cccc([N+](=O)[O-])c1 ZINC000191467604 165253413 /nfs/dbraw/zinc/25/34/13/165253413.db2.gz QZYPCURAJMSUDX-SFHVURJKSA-N 1 1 314.385 3.284 20 5 DGBDMO O=[N+]([O-])c1ccccc1/C=C\C[N@H+]1CCc2ccccc2[C@H]1CO ZINC000255076480 165706739 /nfs/dbraw/zinc/70/67/39/165706739.db2.gz ARQCFXORQINSLT-NVAPOSRTSA-N 1 1 324.380 3.200 20 5 DGBDMO C[N@H+]1CCC[C@H]2CN(Cc3ccc([N+](=O)[O-])cc3Cl)CC[C@@H]21 ZINC000182236999 432170316 /nfs/dbraw/zinc/17/03/16/432170316.db2.gz UBIQHOLNJAJIGU-BBRMVZONSA-N 1 1 323.824 3.164 20 5 DGBDMO C[N@@H+](Cc1ccc(Cl)c([N+](=O)[O-])c1)[C@H](CO)C(C)(C)C ZINC000269653422 432193179 /nfs/dbraw/zinc/19/31/79/432193179.db2.gz MRPOGYRZZNEFRZ-CYBMUJFWSA-N 1 1 300.786 3.087 20 5 DGBDMO CCCc1[nH+]ccn1CC(=O)Nc1ccc(Cl)c([N+](=O)[O-])c1 ZINC000131178533 196148020 /nfs/dbraw/zinc/14/80/20/196148020.db2.gz CQGNBQSYCPBTJD-UHFFFAOYSA-N 1 1 322.752 3.036 20 5 DGBDMO CC[C@@H](C)C[N@@H+](C)[C@H](C)C(=O)Nc1cccc([N+](=O)[O-])c1C ZINC000247416626 432228344 /nfs/dbraw/zinc/22/83/44/432228344.db2.gz DDPWYODPGUHJKP-DGCLKSJQSA-N 1 1 307.394 3.208 20 5 DGBDMO CCCC[N@@H+](CC)[C@@H](C)C(=O)Nc1cc([N+](=O)[O-])ccc1OC ZINC000131903132 196209222 /nfs/dbraw/zinc/20/92/22/196209222.db2.gz ITSBDBPJAFETJR-LBPRGKRZSA-N 1 1 323.393 3.052 20 5 DGBDMO Cc1ccc([C@@H](C)NCC[NH+]2CCC(C)CC2)cc1[N+](=O)[O-] ZINC000132394765 196253033 /nfs/dbraw/zinc/25/30/33/196253033.db2.gz SEVSOPMGIQMGPI-OAHLLOKOSA-N 1 1 305.422 3.286 20 5 DGBDMO O=[N+]([O-])c1ccccc1OCC[N@H+]1CCc2ccsc2C1 ZINC000132976000 196301462 /nfs/dbraw/zinc/30/14/62/196301462.db2.gz RHMIIZOTZJCCPA-UHFFFAOYSA-N 1 1 304.371 3.093 20 5 DGBDMO CC[N@H+]1CCC[C@@H](CNc2ccc([N+](=O)[O-])c3cccnc23)C1 ZINC000133261516 196325680 /nfs/dbraw/zinc/32/56/80/196325680.db2.gz UUMFGBNNCAKHHO-ZDUSSCGKSA-N 1 1 314.389 3.287 20 5 DGBDMO COc1ccc(OCC[N@@H+](C)[C@H](C)C2(C)CC2)c([N+](=O)[O-])c1 ZINC000177244601 228327510 /nfs/dbraw/zinc/32/75/10/228327510.db2.gz SELIYYTXZWHHJW-GFCCVEGCSA-N 1 1 308.378 3.103 20 5 DGBDMO COc1cc(C[N@@H+]2C[C@@H]3CCCC[C@@H]3C2)c([N+](=O)[O-])cc1F ZINC000184232355 228381773 /nfs/dbraw/zinc/38/17/73/228381773.db2.gz AISVKTRHCURYNL-TXEJJXNPSA-N 1 1 308.353 3.365 20 5 DGBDMO Cc1cc(N[C@H](C)[C@@H]2CCC[N@H+](C3CCC3)C2)ncc1[N+](=O)[O-] ZINC000302065250 230074673 /nfs/dbraw/zinc/07/46/73/230074673.db2.gz VUUIKRXNUJFTBE-ZIAGYGMSSA-N 1 1 318.421 3.363 20 5 DGBDMO O=[N+]([O-])c1ccc2ccnc(N[C@@H]3CC[N@H+]4CCCC[C@H]34)c2c1 ZINC000413067687 230124992 /nfs/dbraw/zinc/12/49/92/230124992.db2.gz WWSMSLOFSCXFMB-HZPDHXFCSA-N 1 1 312.373 3.182 20 5 DGBDMO O=[N+]([O-])c1cc(C[NH2+]Cc2ccnc(C(F)(F)F)c2)cs1 ZINC000295083741 263884221 /nfs/dbraw/zinc/88/42/21/263884221.db2.gz QRAQPHFRPZAUKP-UHFFFAOYSA-N 1 1 317.292 3.360 20 5 DGBDMO COc1cc(C[N@@H+](C)C[C@H]2CC=CCC2)c([N+](=O)[O-])cc1OC ZINC000346338561 264013914 /nfs/dbraw/zinc/01/39/14/264013914.db2.gz VCHXMKYEBDSFEI-ZDUSSCGKSA-N 1 1 320.389 3.400 20 5 DGBDMO CC(C)[N@@H+](CCOc1ccc([N+](=O)[O-])cc1)Cc1ccco1 ZINC000346348946 264015392 /nfs/dbraw/zinc/01/53/92/264015392.db2.gz KVRBNAGGGGXQMF-UHFFFAOYSA-N 1 1 304.346 3.477 20 5 DGBDMO CCc1ccc([C@@H]([NH2+]CCOC)c2ccc([N+](=O)[O-])cc2)o1 ZINC000346444608 264033072 /nfs/dbraw/zinc/03/30/72/264033072.db2.gz PGHDYFNWVBMWSQ-INIZCTEOSA-N 1 1 304.346 3.076 20 5 DGBDMO CN(Cc1ccc(-c2ccc([N+](=O)[O-])cc2)o1)CC(C)(C)C[NH3+] ZINC000346649173 264072759 /nfs/dbraw/zinc/07/27/59/264072759.db2.gz GMSCMLICBPGQAY-UHFFFAOYSA-N 1 1 317.389 3.272 20 5 DGBDMO CC(C)c1ccc(CN2C[C@@H]3CCC[C@@H]([NH3+])[C@@H]3C2)cc1[N+](=O)[O-] ZINC000346827201 264104721 /nfs/dbraw/zinc/10/47/21/264104721.db2.gz HTRVSFTWZIJDKO-USXIJHARSA-N 1 1 317.433 3.277 20 5 DGBDMO O=[N+]([O-])c1cccc(OCC[N@H+]2CCC[C@H]2c2cccnc2)c1 ZINC000346977380 264132273 /nfs/dbraw/zinc/13/22/73/264132273.db2.gz TUJFCAWJGGATPY-KRWDZBQOSA-N 1 1 313.357 3.206 20 5 DGBDMO CC[C@@H](CO)[N@@H+](Cc1ccccc1)Cc1cccc([N+](=O)[O-])c1 ZINC000347356860 264205349 /nfs/dbraw/zinc/20/53/49/264205349.db2.gz XNXJVVNVKBURBL-KRWDZBQOSA-N 1 1 314.385 3.368 20 5 DGBDMO C/C(=C\c1cccc([N+](=O)[O-])c1)C[N@@H+](C)CC[C@H]1CCCO1 ZINC000347376599 264210378 /nfs/dbraw/zinc/21/03/78/264210378.db2.gz OJHYWMXRQCUUOQ-GWKQRERASA-N 1 1 304.390 3.499 20 5 DGBDMO COc1ccc([N+](=O)[O-])cc1C[N@@H+]1CC[C@@H](C(F)(F)F)[C@H]1C ZINC000348246606 264373523 /nfs/dbraw/zinc/37/35/23/264373523.db2.gz RGWKNMLEBLWFDV-BXKDBHETSA-N 1 1 318.295 3.376 20 5 DGBDMO COc1ccc([N+](=O)[O-])cc1C[N@H+]1CC[C@@H](C(F)(F)F)[C@H]1C ZINC000348246606 264373525 /nfs/dbraw/zinc/37/35/25/264373525.db2.gz RGWKNMLEBLWFDV-BXKDBHETSA-N 1 1 318.295 3.376 20 5 DGBDMO CC[N@H+]1C[C@H](C)N(c2nc3ccccc3cc2[N+](=O)[O-])C[C@@H]1C ZINC000352349732 265010036 /nfs/dbraw/zinc/01/00/36/265010036.db2.gz HBESUXRNUPOHND-STQMWFEESA-N 1 1 314.389 3.062 20 5 DGBDMO CC[N@@H+](CCNC(=O)c1ccc(C(C)C)c([N+](=O)[O-])c1)C(C)C ZINC000352576337 265094155 /nfs/dbraw/zinc/09/41/55/265094155.db2.gz NWHSJYPAEWNLAM-UHFFFAOYSA-N 1 1 321.421 3.178 20 5 DGBDMO Cc1sccc1C[NH2+]Cc1nc2cc([N+](=O)[O-])ccc2[nH]1 ZINC000353240356 265358390 /nfs/dbraw/zinc/35/83/90/265358390.db2.gz XFHUGAJVPMOIIA-UHFFFAOYSA-N 1 1 302.359 3.131 20 5 DGBDMO CCOC(=O)CC(C)(C)[N@@H+](C)C/C=C/c1ccccc1[N+](=O)[O-] ZINC000355363556 266051631 /nfs/dbraw/zinc/05/16/31/266051631.db2.gz IUVIDNIRDRVLNL-CSKARUKUSA-N 1 1 320.389 3.272 20 5 DGBDMO C[C@@H](O)C[N@@H+](Cc1c(F)cccc1[N+](=O)[O-])C1CCCCC1 ZINC000355401566 266063905 /nfs/dbraw/zinc/06/39/05/266063905.db2.gz PIUVRPJNDWYTPH-GFCCVEGCSA-N 1 1 310.369 3.249 20 5 DGBDMO CC(C)C[N@@H+](CCc1ccccc1)Cc1c([N+](=O)[O-])ncn1C ZINC000355542145 266108391 /nfs/dbraw/zinc/10/83/91/266108391.db2.gz JRRCEZIDIZMSBC-UHFFFAOYSA-N 1 1 316.405 3.029 20 5 DGBDMO CC[N@H+](Cc1cc(OC)c(OC)cc1[N+](=O)[O-])CC1CCC1 ZINC000355594725 266126129 /nfs/dbraw/zinc/12/61/29/266126129.db2.gz AQTBGFZEUXUYCM-UHFFFAOYSA-N 1 1 308.378 3.234 20 5 DGBDMO O=[N+]([O-])c1ccc(C[N@@H+]2CCC[C@@H](OCC3CC3)C2)cc1F ZINC000368481052 271163124 /nfs/dbraw/zinc/16/31/24/271163124.db2.gz DOKALMABUKJKLS-CQSZACIVSA-N 1 1 308.353 3.125 20 5 DGBDMO O=[N+]([O-])c1ccc(C[N@H+]2CCC[C@@H](OCC3CC3)C2)cc1F ZINC000368481052 271163127 /nfs/dbraw/zinc/16/31/27/271163127.db2.gz DOKALMABUKJKLS-CQSZACIVSA-N 1 1 308.353 3.125 20 5 DGBDMO Cn1cnc([N+](=O)[O-])c1C[N@@H+]1CCCC[C@@H]1c1ccccc1 ZINC000368841383 271213823 /nfs/dbraw/zinc/21/38/23/271213823.db2.gz FAYBZDUFGXSIQT-CQSZACIVSA-N 1 1 300.362 3.056 20 5 DGBDMO Cn1cnc([N+](=O)[O-])c1C[N@H+]1CCCC[C@@H]1c1ccccc1 ZINC000368841383 271213827 /nfs/dbraw/zinc/21/38/27/271213827.db2.gz FAYBZDUFGXSIQT-CQSZACIVSA-N 1 1 300.362 3.056 20 5 DGBDMO O=[N+]([O-])c1ccccc1C[N@H+]1CCC[C@H](C[C@@H]2CCOC2)C1 ZINC000369419267 271274896 /nfs/dbraw/zinc/27/48/96/271274896.db2.gz QWLLXNFIOSCWGR-CABCVRRESA-N 1 1 304.390 3.233 20 5 DGBDMO C[C@@H]1COCC[N@@H+](Cc2ccc(-c3ccc([N+](=O)[O-])cc3)o2)C1 ZINC000370183081 271344101 /nfs/dbraw/zinc/34/41/01/271344101.db2.gz KABINHKAXAUXGU-ZDUSSCGKSA-N 1 1 316.357 3.323 20 5 DGBDMO COc1cccnc1C[NH2+][C@H]1CCCc2ccc([N+](=O)[O-])cc21 ZINC000453376791 274163256 /nfs/dbraw/zinc/16/32/56/274163256.db2.gz UYNVTGFLFBNJCM-HNNXBMFYSA-N 1 1 313.357 3.166 20 5 DGBDMO O=[N+]([O-])c1ccc(Cl)cc1C[N@H+]1CCC[C@@H](c2ncc[nH]2)C1 ZINC000267456771 275035591 /nfs/dbraw/zinc/03/55/91/275035591.db2.gz TYWFMBZIYUEVTJ-LLVKDONJSA-N 1 1 320.780 3.351 20 5 DGBDMO O=[N+]([O-])c1ccc(N2CC[C@@H]3[C@H](CCC[N@H+]3C3CC3)C2)c(F)c1 ZINC000161898736 275036771 /nfs/dbraw/zinc/03/67/71/275036771.db2.gz XUXBVOFWSKHBMT-MLGOLLRUSA-N 1 1 319.380 3.187 20 5 DGBDMO O=[N+]([O-])c1cccc(Cl)c1C[N@@H+]1CCC[C@H]1[C@H]1CCCO1 ZINC000342021877 275039358 /nfs/dbraw/zinc/03/93/58/275039358.db2.gz OWZDBJFHUUGTDF-LSDHHAIUSA-N 1 1 310.781 3.392 20 5 DGBDMO O=[N+]([O-])c1cccc(Cl)c1C[N@H+]1CCC[C@H]1[C@H]1CCCO1 ZINC000342021877 275039360 /nfs/dbraw/zinc/03/93/60/275039360.db2.gz OWZDBJFHUUGTDF-LSDHHAIUSA-N 1 1 310.781 3.392 20 5 DGBDMO C[N@H+]1CCCC12CCN(Cc1c(Cl)cccc1[N+](=O)[O-])CC2 ZINC000492205345 277042202 /nfs/dbraw/zinc/04/22/02/277042202.db2.gz AVQSMUJEDLEKOU-UHFFFAOYSA-N 1 1 323.824 3.308 20 5 DGBDMO COC(=O)[C@@H]1CCC[N@@H+](Cc2ccc(C(C)C)c([N+](=O)[O-])c2)C1 ZINC000123232722 277347712 /nfs/dbraw/zinc/34/77/12/277347712.db2.gz GOOVQLBHMJAWHI-CQSZACIVSA-N 1 1 320.389 3.103 20 5 DGBDMO C[C@@H]([NH2+][C@@H](C)c1ccccc1[N+](=O)[O-])C(=O)N1CCCCCC1 ZINC000331999548 278364783 /nfs/dbraw/zinc/36/47/83/278364783.db2.gz OKQGIHCZJRMHFL-UONOGXRCSA-N 1 1 319.405 3.037 20 5 DGBDMO C[C@@H]1C[C@H]([NH2+][C@H]2CCCc3ccc([N+](=O)[O-])cc32)c2nccn21 ZINC000453349767 278997719 /nfs/dbraw/zinc/99/77/19/278997719.db2.gz LYEKKRKCLOOFDC-RLCCDNCMSA-N 1 1 312.373 3.464 20 5 DGBDMO CC[C@H](C)C[N@@H+](C)CCC(=O)Nc1ccc([N+](=O)[O-])cc1C ZINC000111253696 431198473 /nfs/dbraw/zinc/19/84/73/431198473.db2.gz PCNACHYBHPKWOA-LBPRGKRZSA-N 1 1 307.394 3.210 20 5 DGBDMO C[C@H]([NH2+]CC(=O)Nc1ccc(F)cc1)c1ccccc1[N+](=O)[O-] ZINC000342286244 279461227 /nfs/dbraw/zinc/46/12/27/279461227.db2.gz VTOFGZNCKPAZOE-NSHDSACASA-N 1 1 317.320 3.023 20 5 DGBDMO C[C@@H](CNc1ccc2ncccc2c1[N+](=O)[O-])[N@@H+](C)C1CC1 ZINC000112079979 431246635 /nfs/dbraw/zinc/24/66/35/431246635.db2.gz BERCDRJWPXJFIB-NSHDSACASA-N 1 1 300.362 3.038 20 5 DGBDMO CC[N@H+]1CCC[C@H](CNc2ccc3ncccc3c2[N+](=O)[O-])C1 ZINC000112077783 431246982 /nfs/dbraw/zinc/24/69/82/431246982.db2.gz YFXWNKOHISEJDU-CYBMUJFWSA-N 1 1 314.389 3.287 20 5 DGBDMO O=[N+]([O-])c1ccccc1N1CC[NH+](C/C=C/c2ccccc2)CC1 ZINC000008177589 431384028 /nfs/dbraw/zinc/38/40/28/431384028.db2.gz CWVGXFNNULMBMQ-RMKNXTFCSA-N 1 1 323.396 3.430 20 5 DGBDMO CC[N@@H+](CCC(=O)Nc1cccc([N+](=O)[O-])c1C)CC(C)C ZINC000114725495 431410180 /nfs/dbraw/zinc/41/01/80/431410180.db2.gz VYGPCESJXPMIAX-UHFFFAOYSA-N 1 1 307.394 3.210 20 5 DGBDMO C[N@@H+](CCC(=O)Nc1ccc([N+](=O)[O-])cc1)Cc1ccccc1 ZINC000026157309 431668641 /nfs/dbraw/zinc/66/86/41/431668641.db2.gz HRMZWJVOAYMLKR-UHFFFAOYSA-N 1 1 313.357 3.055 20 5 DGBDMO C[C@H](Cc1ccc(O)cc1)[N@@H+](C)Cc1cccc([N+](=O)[O-])c1 ZINC000119425951 431689361 /nfs/dbraw/zinc/68/93/61/431689361.db2.gz DTHVPOCYSLVAEO-CYBMUJFWSA-N 1 1 300.358 3.363 20 5 DGBDMO COc1ccc([C@H](C)[NH2+]Cc2ccccc2[N+](=O)[O-])c(OC)c1 ZINC000121317792 431769220 /nfs/dbraw/zinc/76/92/20/431769220.db2.gz MZCLEWGIHBDHCZ-LBPRGKRZSA-N 1 1 316.357 3.463 20 5 DGBDMO Cc1ccc([C@H](C)N[C@@H](C)C[NH+]2CCCCC2)cc1[N+](=O)[O-] ZINC000122982369 431851050 /nfs/dbraw/zinc/85/10/50/431851050.db2.gz SGRIFYYTESFINX-GJZGRUSLSA-N 1 1 305.422 3.428 20 5 DGBDMO CC(C)c1[nH+]ccn1CC(=O)Nc1ccc(Cl)c([N+](=O)[O-])c1 ZINC000123678180 431871257 /nfs/dbraw/zinc/87/12/57/431871257.db2.gz RBEWFKGRJGJEFH-UHFFFAOYSA-N 1 1 322.752 3.207 20 5 DGBDMO C[C@H]1CCC[C@H](C)[N@@H+](CC(=O)N(C)c2ccc([N+](=O)[O-])cc2)C1 ZINC000125228428 431918090 /nfs/dbraw/zinc/91/80/90/431918090.db2.gz VREGSINDIHMTIR-KBPBESRZSA-N 1 1 319.405 3.068 20 5 DGBDMO C[C@H](C1CC1)[N@@H+](C)Cc1coc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000089883303 431883692 /nfs/dbraw/zinc/88/36/92/431883692.db2.gz QQDKNFSYZHGTQC-LLVKDONJSA-N 1 1 301.346 3.480 20 5 DGBDMO O=[N+]([O-])c1cccc(OCC[N@@H+](Cc2cccnc2)C2CC2)c1 ZINC000124690448 431901910 /nfs/dbraw/zinc/90/19/10/431901910.db2.gz FFBSXSAMEQPBMK-UHFFFAOYSA-N 1 1 313.357 3.033 20 5 DGBDMO CC(C)[N@@H+](C)CCNc1ccc([N+](=O)[O-])c(C(F)(F)F)c1 ZINC000054128248 431967498 /nfs/dbraw/zinc/96/74/98/431967498.db2.gz FPPYTOSYBBRMQM-UHFFFAOYSA-N 1 1 305.300 3.366 20 5 DGBDMO C[C@@H](c1ccccn1)[N@@H+](C)CCOc1ccccc1[N+](=O)[O-] ZINC000127984680 431985305 /nfs/dbraw/zinc/98/53/05/431985305.db2.gz WEIALMGCYAOANQ-ZDUSSCGKSA-N 1 1 301.346 3.062 20 5 DGBDMO O=[N+]([O-])c1ccccc1C[N@H+]1CC[C@H](Oc2cccc(F)c2)C1 ZINC000183372989 432286106 /nfs/dbraw/zinc/28/61/06/432286106.db2.gz WWLSETJLKQXKNK-INIZCTEOSA-N 1 1 316.332 3.387 20 5 DGBDMO CC[C@H](CN[C@@H](C)c1cccc([N+](=O)[O-])c1C)[NH+]1CCCC1 ZINC000151687115 432265778 /nfs/dbraw/zinc/26/57/78/432265778.db2.gz NUSRVCAQXLNKQK-LSDHHAIUSA-N 1 1 305.422 3.428 20 5 DGBDMO CC[C@H](CN[C@@H](C)c1ccc(C)c([N+](=O)[O-])c1)[NH+]1CCCC1 ZINC000151677880 432266404 /nfs/dbraw/zinc/26/64/04/432266404.db2.gz OCSVVHXOPSKDBI-GOEBONIOSA-N 1 1 305.422 3.428 20 5 DGBDMO CC[C@@H](CN[C@@H](C)c1cc([N+](=O)[O-])ccc1C)[NH+]1CCCC1 ZINC000151686514 432266723 /nfs/dbraw/zinc/26/67/23/432266723.db2.gz AYAXTBXKZNGBMY-GJZGRUSLSA-N 1 1 305.422 3.428 20 5 DGBDMO CC(C)[C@H](C)[N@@H+](C)Cc1cn(C)nc1-c1ccc([N+](=O)[O-])cc1 ZINC000271048052 432319709 /nfs/dbraw/zinc/31/97/09/432319709.db2.gz NKJBQWPDBYSKTE-ZDUSSCGKSA-N 1 1 316.405 3.472 20 5 DGBDMO COc1cc(C[N@@H+](C)C(C2CC2)C2CC2)c([N+](=O)[O-])cc1F ZINC000184258329 432373283 /nfs/dbraw/zinc/37/32/83/432373283.db2.gz SSOJGFOFVHHWOR-UHFFFAOYSA-N 1 1 308.353 3.363 20 5 DGBDMO C[C@@H]1CC[N@@H+](C[C@@H](O)c2cccc([N+](=O)[O-])c2)CC12CCC2 ZINC000271406860 432388433 /nfs/dbraw/zinc/38/84/33/432388433.db2.gz YDKMUWVOWYTWNK-CZUORRHYSA-N 1 1 304.390 3.140 20 5 DGBDMO NC(=O)N[C@H]1CC[N@@H+](Cc2c3ccccc3cc3ccccc32)C1 ZINC000271407438 432388977 /nfs/dbraw/zinc/38/89/77/432388977.db2.gz WZIRRVKLTUBSML-INIZCTEOSA-N 1 1 319.408 3.236 20 5 DGBDMO O=[N+]([O-])c1ccc2c(c1)[C@@H](NCCC[NH+]1CCCC1)CCC2 ZINC000192618793 432393872 /nfs/dbraw/zinc/39/38/72/432393872.db2.gz NKSPEGIBMPTBFG-KRWDZBQOSA-N 1 1 303.406 3.048 20 5 DGBDMO COc1ccc(C[N@H+](Cc2ccccn2)C2CC2)cc1[N+](=O)[O-] ZINC000271484645 432406185 /nfs/dbraw/zinc/40/61/85/432406185.db2.gz HGVFTPPAQOUDLS-UHFFFAOYSA-N 1 1 313.357 3.163 20 5 DGBDMO COc1ccc(C[N@@H+](Cc2ccccn2)C2CC2)cc1[N+](=O)[O-] ZINC000271484645 432406188 /nfs/dbraw/zinc/40/61/88/432406188.db2.gz HGVFTPPAQOUDLS-UHFFFAOYSA-N 1 1 313.357 3.163 20 5 DGBDMO C[C@]1(CCCO)CCC[N@H+]1Cc1cc(Cl)ccc1[N+](=O)[O-] ZINC000272044127 432436523 /nfs/dbraw/zinc/43/65/23/432436523.db2.gz RQPPOALWGJKJRZ-OAHLLOKOSA-N 1 1 312.797 3.375 20 5 DGBDMO CC(C)[N@@H+](CCO[C@@H]1CCCCO1)Cc1ccc([N+](=O)[O-])cc1 ZINC000193045289 432441490 /nfs/dbraw/zinc/44/14/90/432441490.db2.gz WGWPVXIBFQEYBS-QGZVFWFLSA-N 1 1 322.405 3.348 20 5 DGBDMO CC(C)[N@@H+](Cc1cnc(N)s1)Cc1ccc([N+](=O)[O-])cc1 ZINC000261749344 432446157 /nfs/dbraw/zinc/44/61/57/432446157.db2.gz JMHDUQSOMAMMQR-UHFFFAOYSA-N 1 1 306.391 3.044 20 5 DGBDMO CC[C@H]([NH2+][C@@H]1CCCc2c[nH]nc21)c1cccc([N+](=O)[O-])c1 ZINC000271495413 432409062 /nfs/dbraw/zinc/40/90/62/432409062.db2.gz LBVZDKSKRNOZFD-LSDHHAIUSA-N 1 1 300.362 3.436 20 5 DGBDMO CCOc1ccc([C@H](C)NCC[N@@H+](CC)C(C)C)cc1[N+](=O)[O-] ZINC000153498201 432415127 /nfs/dbraw/zinc/41/51/27/432415127.db2.gz HNQRQWCNCZWFFN-AWEZNQCLSA-N 1 1 323.437 3.374 20 5 DGBDMO CCOc1ccc([C@H](C)[NH2+]CCN(CC)C(C)C)cc1[N+](=O)[O-] ZINC000153498201 432415132 /nfs/dbraw/zinc/41/51/32/432415132.db2.gz HNQRQWCNCZWFFN-AWEZNQCLSA-N 1 1 323.437 3.374 20 5 DGBDMO CCOc1ccc([C@H](C)[NH2+]Cc2cc(C)no2)cc1[N+](=O)[O-] ZINC000153605723 432425066 /nfs/dbraw/zinc/42/50/66/432425066.db2.gz LLGBTHZNIQGSKD-NSHDSACASA-N 1 1 305.334 3.141 20 5 DGBDMO Cc1ccc(C[N@@H+](CCn2ccc([N+](=O)[O-])n2)C2CC2)cc1C ZINC000176260336 432503895 /nfs/dbraw/zinc/50/38/95/432503895.db2.gz DBAJBOPGVQBKGF-UHFFFAOYSA-N 1 1 314.389 3.073 20 5 DGBDMO CC[C@H]1[C@H](C)CC[N@H+]1Cc1nc(-c2ccc([N+](=O)[O-])cc2)no1 ZINC000185654908 432520151 /nfs/dbraw/zinc/52/01/51/432520151.db2.gz JPDYNKQDPHMWIL-RISCZKNCSA-N 1 1 316.361 3.265 20 5 DGBDMO CC[C@@H]1[C@@H](C)CC[N@H+]1Cc1nc(-c2ccc([N+](=O)[O-])cc2)no1 ZINC000185654929 432520485 /nfs/dbraw/zinc/52/04/85/432520485.db2.gz JPDYNKQDPHMWIL-SMDDNHRTSA-N 1 1 316.361 3.265 20 5 DGBDMO CC[C@H]1[C@@H](C)CC[N@H+]1Cc1nc(-c2cccc([N+](=O)[O-])c2)no1 ZINC000185658767 432520782 /nfs/dbraw/zinc/52/07/82/432520782.db2.gz CXZXDJKHNTUXBJ-FZMZJTMJSA-N 1 1 316.361 3.265 20 5 DGBDMO COc1ccc(OC)c([C@@H](C)[NH2+]Cc2ccccc2[N+](=O)[O-])c1 ZINC000194809284 432578656 /nfs/dbraw/zinc/57/86/56/432578656.db2.gz KAWLZCIEGHUSLW-GFCCVEGCSA-N 1 1 316.357 3.463 20 5 DGBDMO C[C@H]([N@@H+](C)Cc1nnc(-c2ccc([N+](=O)[O-])cc2)o1)C1(C)CC1 ZINC000177228306 432601376 /nfs/dbraw/zinc/60/13/76/432601376.db2.gz JRBQTFJTIYMBCO-NSHDSACASA-N 1 1 316.361 3.265 20 5 DGBDMO CCOc1ccc([N+](=O)[O-])cc1C[N@@H+]1CC[C@H](OCC(C)C)C1 ZINC000177416249 432622505 /nfs/dbraw/zinc/62/25/05/432622505.db2.gz QZNUKJVVZLOQRT-INIZCTEOSA-N 1 1 322.405 3.240 20 5 DGBDMO CCOc1ccc([N+](=O)[O-])cc1C[N@H+]1CC[C@H](OCC(C)C)C1 ZINC000177416249 432622506 /nfs/dbraw/zinc/62/25/06/432622506.db2.gz QZNUKJVVZLOQRT-INIZCTEOSA-N 1 1 322.405 3.240 20 5 DGBDMO COC[C@@H]([NH2+]C/C=C/c1ccccc1[N+](=O)[O-])c1ccc(C)o1 ZINC000177569278 432637364 /nfs/dbraw/zinc/63/73/64/432637364.db2.gz LHPYNJAPMQFQIC-KEDPEKRHSA-N 1 1 316.357 3.487 20 5 DGBDMO O=[N+]([O-])c1ccccc1/C=C/C[N@H+](CCO)Cc1ccccc1 ZINC000158296027 432642038 /nfs/dbraw/zinc/64/20/38/432642038.db2.gz QKIXHFQWAXZDPM-UXBLZVDNSA-N 1 1 312.369 3.103 20 5 DGBDMO COc1cnccc1[C@H](C)[NH2+][C@H](C)c1cccc([N+](=O)[O-])c1 ZINC000187067732 432645210 /nfs/dbraw/zinc/64/52/10/432645210.db2.gz TXGJUZMZIYAULR-NEPJUHHUSA-N 1 1 301.346 3.410 20 5 DGBDMO C[C@@H]1CCCC[N@H+]1CCCNc1ncc([N+](=O)[O-])cc1Cl ZINC000227648433 432713390 /nfs/dbraw/zinc/71/33/90/432713390.db2.gz BRKPACNCIIYSTF-LLVKDONJSA-N 1 1 312.801 3.320 20 5 DGBDMO Cc1cnn([C@@H]2CCC[N@H+]([C@@H](C)c3ccccc3[N+](=O)[O-])C2)c1 ZINC000266531627 432762245 /nfs/dbraw/zinc/76/22/45/432762245.db2.gz MICGGSVSNDVOKT-LSDHHAIUSA-N 1 1 314.389 3.498 20 5 DGBDMO CC[NH+](CC)[C@H](CNCc1ccccc1[N+](=O)[O-])c1ccco1 ZINC000236896214 432769992 /nfs/dbraw/zinc/76/99/92/432769992.db2.gz WFNYAPWBIAWUPU-MRXNPFEDSA-N 1 1 317.389 3.361 20 5 DGBDMO Cc1ccnc(NC[C@@H]2CCC[N@H+](CC(C)C)C2)c1[N+](=O)[O-] ZINC000161314731 432772583 /nfs/dbraw/zinc/77/25/83/432772583.db2.gz JEZAODIUPMWVDE-AWEZNQCLSA-N 1 1 306.410 3.078 20 5 DGBDMO C[C@@H]1CCC[C@](C[NH2+]Cc2cccc([N+](=O)[O-])c2)(N(C)C)C1 ZINC000237368368 432784788 /nfs/dbraw/zinc/78/47/88/432784788.db2.gz ZRVDTSJSJGIGSQ-PBHICJAKSA-N 1 1 305.422 3.195 20 5 DGBDMO C[C@@H]1C[N@@H+](Cc2nc(-c3cccc([N+](=O)[O-])c3)no2)C(C)(C)C1 ZINC000266941561 432800843 /nfs/dbraw/zinc/80/08/43/432800843.db2.gz QBERQMSVMOSEGA-NSHDSACASA-N 1 1 316.361 3.265 20 5 DGBDMO C[C@@H](c1cccc([N+](=O)[O-])c1)[N@H+]1CCC[C@@H](c2ncc[nH]2)C1 ZINC000266959735 432801794 /nfs/dbraw/zinc/80/17/94/432801794.db2.gz WGEUPPIMYDPWJW-GXTWGEPZSA-N 1 1 300.362 3.259 20 5 DGBDMO CC(=O)c1cc(NC[C@H]2CC[N@H+](CC(C)C)C2)ccc1[N+](=O)[O-] ZINC000288084212 432885637 /nfs/dbraw/zinc/88/56/37/432885637.db2.gz ZMLNUXVTHAGURX-CQSZACIVSA-N 1 1 319.405 3.187 20 5 DGBDMO COCc1cc([N+](=O)[O-])ccc1NC[C@H]1CC[N@@H+](CC(C)C)C1 ZINC000268226460 432857074 /nfs/dbraw/zinc/85/70/74/432857074.db2.gz KYSGCFJHDDUYCL-CQSZACIVSA-N 1 1 321.421 3.131 20 5 DGBDMO O=[N+]([O-])c1ccc(C[N@@H+]2CCC[C@H]2C[C@H](O)c2ccco2)cc1 ZINC000268243425 432858821 /nfs/dbraw/zinc/85/88/21/432858821.db2.gz HICYAXLCNRCMDP-HOTGVXAUSA-N 1 1 316.357 3.276 20 5 DGBDMO CC[C@H]1CC[C@@H](C)[N@H+]1CC(=O)Nc1ccc([N+](=O)[O-])cc1C ZINC000330663200 432923424 /nfs/dbraw/zinc/92/34/24/432923424.db2.gz SSOVXCPFLHQDAJ-OLZOCXBDSA-N 1 1 305.378 3.105 20 5 DGBDMO CC[C@H]1CC[C@H](C)[N@H+]1CC(=O)Nc1ccc([N+](=O)[O-])cc1C ZINC000330663202 432923653 /nfs/dbraw/zinc/92/36/53/432923653.db2.gz SSOVXCPFLHQDAJ-STQMWFEESA-N 1 1 305.378 3.105 20 5 DGBDMO COCCC[N@@H+](Cc1ccncc1)Cc1ccc([N+](=O)[O-])cc1 ZINC000289184667 432930855 /nfs/dbraw/zinc/93/08/55/432930855.db2.gz ATWPLHMIHLXPIR-UHFFFAOYSA-N 1 1 315.373 3.029 20 5 DGBDMO Cc1cc(C[NH2+][C@H]2CC(C)(C)c3ccc([N+](=O)[O-])cc32)on1 ZINC000279169607 432941973 /nfs/dbraw/zinc/94/19/73/432941973.db2.gz UQVSHKQPFUZKHD-HNNXBMFYSA-N 1 1 301.346 3.403 20 5 DGBDMO CCC[C@]1(CO)CC[N@H+](Cc2ccc(Cl)c([N+](=O)[O-])c2)C1 ZINC000288915293 432905534 /nfs/dbraw/zinc/90/55/34/432905534.db2.gz UNFXZYBLGQITIW-HNNXBMFYSA-N 1 1 312.797 3.233 20 5 DGBDMO CCC[C@]1(CO)CC[N@@H+](Cc2ccc(Cl)c([N+](=O)[O-])c2)C1 ZINC000288915293 432905537 /nfs/dbraw/zinc/90/55/37/432905537.db2.gz UNFXZYBLGQITIW-HNNXBMFYSA-N 1 1 312.797 3.233 20 5 DGBDMO CC(C)(C)[C@H]1CCC[N@H+]1Cc1ccc(C(N)=O)cc1[N+](=O)[O-] ZINC000330616043 432920509 /nfs/dbraw/zinc/92/05/09/432920509.db2.gz DFMNNUDZABVBMK-CQSZACIVSA-N 1 1 305.378 3.489 20 5 DGBDMO C[N@@H+](CCCCCO)Cc1ccc(-c2ccccc2[N+](=O)[O-])o1 ZINC000279429180 432967341 /nfs/dbraw/zinc/96/73/41/432967341.db2.gz NZBTTZBVPAAGMA-UHFFFAOYSA-N 1 1 318.373 3.449 20 5 DGBDMO CCOc1cc(C[N@H+]2CCSC[C@@H](C)C2)ccc1[N+](=O)[O-] ZINC000332221271 432987533 /nfs/dbraw/zinc/98/75/33/432987533.db2.gz KHAHFOIHWHMODI-LBPRGKRZSA-N 1 1 310.419 3.178 20 5 DGBDMO Cc1ccc(C[NH2+]CCc2ccc3cn[nH]c3c2)cc1[N+](=O)[O-] ZINC000341252927 433005530 /nfs/dbraw/zinc/00/55/30/433005530.db2.gz IBCKUOGFYJUNOO-UHFFFAOYSA-N 1 1 310.357 3.112 20 5 DGBDMO O=[N+]([O-])c1ccc(C[NH2+][C@@H]2CCOc3c(F)cccc32)cc1 ZINC000372905975 433057604 /nfs/dbraw/zinc/05/76/04/433057604.db2.gz YYDHEOHWRREROC-OAHLLOKOSA-N 1 1 302.305 3.347 20 5 DGBDMO Cc1cccc(OCC[N@@H+]2CCc3ccc([N+](=O)[O-])cc3C2)c1 ZINC000446714097 433089026 /nfs/dbraw/zinc/08/90/26/433089026.db2.gz DTPZNGFBBCFZTG-UHFFFAOYSA-N 1 1 312.369 3.340 20 5 DGBDMO Cc1cccc(OCC[N@H+]2CCc3ccc([N+](=O)[O-])cc3C2)c1 ZINC000446714097 433089037 /nfs/dbraw/zinc/08/90/37/433089037.db2.gz DTPZNGFBBCFZTG-UHFFFAOYSA-N 1 1 312.369 3.340 20 5 DGBDMO CC(C)(C)C[N@@H+](CCn1cc([N+](=O)[O-])cn1)Cc1ccccc1 ZINC000350160728 433100259 /nfs/dbraw/zinc/10/02/59/433100259.db2.gz NTYSUIPUHNLFKC-UHFFFAOYSA-N 1 1 316.405 3.340 20 5 DGBDMO CC(C)[C@H](C)[N@@H+](C)Cc1nc(-c2cccc([N+](=O)[O-])c2)no1 ZINC000298405274 433126096 /nfs/dbraw/zinc/12/60/96/433126096.db2.gz HCAQEFZVVCJRDY-NSHDSACASA-N 1 1 304.350 3.121 20 5 DGBDMO CCC(=O)c1ccc(NC[C@@H](C)[N@@H+](C)C2CC2)c([N+](=O)[O-])c1 ZINC000280774702 433168376 /nfs/dbraw/zinc/16/83/76/433168376.db2.gz SFTXKMZRVPAVHL-LLVKDONJSA-N 1 1 305.378 3.082 20 5 DGBDMO Cc1cc(NCC2=CC[N@@H+](C)CC2)c2cccc([N+](=O)[O-])c2n1 ZINC000354598763 433171867 /nfs/dbraw/zinc/17/18/67/433171867.db2.gz IOMGAPZXFWYSGO-UHFFFAOYSA-N 1 1 312.373 3.125 20 5 DGBDMO CC1=CCC[N@@H+](CCc2ncc(-c3cccc([N+](=O)[O-])c3)o2)C1 ZINC000280941838 433231583 /nfs/dbraw/zinc/23/15/83/433231583.db2.gz WGFLVLHPMIFTSA-UHFFFAOYSA-N 1 1 313.357 3.444 20 5 DGBDMO C[N@H+]1CCCC12CCN(Cc1cc([N+](=O)[O-])ccc1Cl)CC2 ZINC000374615988 433240788 /nfs/dbraw/zinc/24/07/88/433240788.db2.gz WEEKQYYDVXCXOZ-UHFFFAOYSA-N 1 1 323.824 3.308 20 5 DGBDMO CO[C@@H](C[N@H+]1CCC[C@H](c2ccc([N+](=O)[O-])cc2)C1)C1CC1 ZINC000425466649 433254472 /nfs/dbraw/zinc/25/44/72/433254472.db2.gz BDOCTYBLOWPMGH-RDJZCZTQSA-N 1 1 304.390 3.199 20 5 DGBDMO COc1cc(C[N@@H+](C)Cc2ccc([N+](=O)[O-])cc2)cc(OC)c1 ZINC000299124217 433323183 /nfs/dbraw/zinc/32/31/83/433323183.db2.gz HYLIVHBBXQPYJX-UHFFFAOYSA-N 1 1 316.357 3.244 20 5 DGBDMO Cc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@@H+]1CC[C@@H](C)C[C@H]1C ZINC000425522998 433280168 /nfs/dbraw/zinc/28/01/68/433280168.db2.gz OFBJTUHWZOOCCS-TZMCWYRMSA-N 1 1 319.405 3.352 20 5 DGBDMO COCC[N@@H+](Cc1ccc([N+](=O)[O-])cc1F)[C@H]1CC[C@H](C)C1 ZINC000361642195 433309407 /nfs/dbraw/zinc/30/94/07/433309407.db2.gz IBJINMYBMBSUSJ-JSGCOSHPSA-N 1 1 310.369 3.371 20 5 DGBDMO COCC[N@H+](Cc1cccc([N+](=O)[O-])c1)C[C@H]1CC=CCC1 ZINC000361674237 433332908 /nfs/dbraw/zinc/33/29/08/433332908.db2.gz CSKIAULAJDBQQE-HNNXBMFYSA-N 1 1 304.390 3.400 20 5 DGBDMO COCC[N@H+](Cc1ccc([N+](=O)[O-])cc1)C[C@H]1CC=CCC1 ZINC000361678156 433336594 /nfs/dbraw/zinc/33/65/94/433336594.db2.gz MBRIOSOYWBJNCW-HNNXBMFYSA-N 1 1 304.390 3.400 20 5 DGBDMO CC(C)[N@@H+](CCn1cc([N+](=O)[O-])cn1)[C@H](C)c1ccsc1 ZINC000421018790 433392566 /nfs/dbraw/zinc/39/25/66/433392566.db2.gz XADNNUQICFUEQC-GFCCVEGCSA-N 1 1 308.407 3.324 20 5 DGBDMO Cc1cc(N2CC[N@H+](C)C[C@@H]2c2ccccc2)ccc1[N+](=O)[O-] ZINC000301073473 433402695 /nfs/dbraw/zinc/40/26/95/433402695.db2.gz GHADLSHZIRUKSA-GOSISDBHSA-N 1 1 311.385 3.396 20 5 DGBDMO COc1cc(C[N@H+]2CC[C@@H](C)C[C@@H](C)C2)c([N+](=O)[O-])cc1OC ZINC000355105472 433464657 /nfs/dbraw/zinc/46/46/57/433464657.db2.gz HYWPTTSWAOHYSW-CHWSQXEVSA-N 1 1 322.405 3.480 20 5 DGBDMO C[N@H+]1CC[C@H]2[C@H](CCCN2c2ccc(Cl)cc2[N+](=O)[O-])C1 ZINC000302788545 290244476 /nfs/dbraw/zinc/24/44/76/290244476.db2.gz XMQGYTSXLRKYLC-YPMHNXCESA-N 1 1 309.797 3.169 20 5 DGBDMO CC[C@@H]1CCCC[N@H+]1CCNc1ccc([N+](=O)[O-])c(OC)c1 ZINC000301403915 433538798 /nfs/dbraw/zinc/53/87/98/433538798.db2.gz SGZYEBMLCSJRBK-CQSZACIVSA-N 1 1 307.394 3.280 20 5 DGBDMO Cc1cc([C@H](C)[NH2+][C@@H](C)c2ccc(C)c([N+](=O)[O-])c2)nn1C ZINC000282238071 433539235 /nfs/dbraw/zinc/53/92/35/433539235.db2.gz PSINEMFINDEMPF-STQMWFEESA-N 1 1 302.378 3.357 20 5 DGBDMO CC(C)c1ccc(C[N@H+]2C[C@@H](C)C[C@H](CO)C2)cc1[N+](=O)[O-] ZINC000421359795 433500264 /nfs/dbraw/zinc/50/02/64/433500264.db2.gz GWONJBFMHFIYBE-ZFWWWQNUSA-N 1 1 306.406 3.169 20 5 DGBDMO CC[N@@H+](C)C[C@@H]1CCN(c2cc(C)c([N+](=O)[O-])cc2Cl)C1 ZINC000301524741 433596223 /nfs/dbraw/zinc/59/62/23/433596223.db2.gz IHXIFUXOXCXFJK-LBPRGKRZSA-N 1 1 311.813 3.335 20 5 DGBDMO CC[C@@H]1CC[C@H](C)[N@H+]1CCC(=O)Nc1ccccc1[N+](=O)[O-] ZINC000283151214 433677774 /nfs/dbraw/zinc/67/77/74/433677774.db2.gz CJKJPZQGUNRCOX-QWHCGFSZSA-N 1 1 305.378 3.186 20 5 DGBDMO O=[N+]([O-])c1cc(Cl)ccc1C[N@H+]1CC[C@H](C2CCOCC2)C1 ZINC000371062610 293198105 /nfs/dbraw/zinc/19/81/05/293198105.db2.gz CMUBSXMTVUOPFQ-ZDUSSCGKSA-N 1 1 324.808 3.497 20 5 DGBDMO O=[N+]([O-])c1ccc2c(c1)[C@H](N[C@@H]1CC[N@@H+]3CCC[C@H]3C1)CCC2 ZINC000373024958 293252239 /nfs/dbraw/zinc/25/22/39/293252239.db2.gz ONHSDCXUXKYANI-RVKKMQEKSA-N 1 1 315.417 3.189 20 5 DGBDMO O=[N+]([O-])c1ccc2c(c1)[C@H](N[C@@H]1CC[N@H+]3CCC[C@H]3C1)CCC2 ZINC000373024958 293252242 /nfs/dbraw/zinc/25/22/42/293252242.db2.gz ONHSDCXUXKYANI-RVKKMQEKSA-N 1 1 315.417 3.189 20 5 DGBDMO CC(C)c1ccc(C[N@H+]2CCC[C@](C)(O)CC2)cc1[N+](=O)[O-] ZINC000373482485 293280628 /nfs/dbraw/zinc/28/06/28/293280628.db2.gz SDRHPTBUQCNOGB-KRWDZBQOSA-N 1 1 306.406 3.455 20 5 DGBDMO COc1ccc([N+](=O)[O-])cc1C[N@H+]1CC[C@@H](c2ccco2)C1 ZINC000374009368 293342196 /nfs/dbraw/zinc/34/21/96/293342196.db2.gz XYIDHGYTFYJZAE-GFCCVEGCSA-N 1 1 302.330 3.186 20 5 DGBDMO CCSCC[C@@H](C)[N@@H+](C)CCOc1cccc([N+](=O)[O-])c1 ZINC000362455707 433725962 /nfs/dbraw/zinc/72/59/62/433725962.db2.gz SWFXKICWHKTABX-CYBMUJFWSA-N 1 1 312.435 3.437 20 5 DGBDMO C[N@@H+](CCN1CCc2ccccc21)Cc1ccccc1[N+](=O)[O-] ZINC000428456455 433757512 /nfs/dbraw/zinc/75/75/12/433757512.db2.gz FJJUMYBUEAHQNI-UHFFFAOYSA-N 1 1 311.385 3.089 20 5 DGBDMO CC[C@@H]1[C@@H](C)CC[N@H+]1CCC(=O)Nc1ccccc1[N+](=O)[O-] ZINC000283427351 433724988 /nfs/dbraw/zinc/72/49/88/433724988.db2.gz WQCDPFIBJIZNHK-GXTWGEPZSA-N 1 1 305.378 3.044 20 5 DGBDMO O=[N+]([O-])c1cc(C[N@H+]2CC[C@H](CC3CC3)C2)c2c(c1)COCO2 ZINC000339675825 433725763 /nfs/dbraw/zinc/72/57/63/433725763.db2.gz RYNQHKWUAYWZLL-CYBMUJFWSA-N 1 1 318.373 3.083 20 5 DGBDMO CCCCC[N@H+](CC(N)=O)Cc1ccc(C(C)C)c([N+](=O)[O-])c1 ZINC000356937684 433777897 /nfs/dbraw/zinc/77/78/97/433777897.db2.gz PRTONYGNKBMSRA-UHFFFAOYSA-N 1 1 321.421 3.196 20 5 DGBDMO CCCCC[N@@H+](CC(N)=O)Cc1ccc(C(C)C)c([N+](=O)[O-])c1 ZINC000356937684 433777903 /nfs/dbraw/zinc/77/79/03/433777903.db2.gz PRTONYGNKBMSRA-UHFFFAOYSA-N 1 1 321.421 3.196 20 5 DGBDMO Cc1cccc(N2CC[C@H]3[C@@H](CCC[N@H+]3C3CC3)C2)c1[N+](=O)[O-] ZINC000302493855 433824535 /nfs/dbraw/zinc/82/45/35/433824535.db2.gz LEDLAOUAHZYUPB-HOCLYGCPSA-N 1 1 315.417 3.356 20 5 DGBDMO CCCC[N@@H+](C)C[C@@H](C)NC(=O)c1cc([N+](=O)[O-])c(C)cc1C ZINC000421920352 433808355 /nfs/dbraw/zinc/80/83/55/433808355.db2.gz YDEUTQLNPSWJEC-CQSZACIVSA-N 1 1 321.421 3.062 20 5 DGBDMO CN(Cc1ccc(-c2ccc([N+](=O)[O-])cc2)s1)C1CC([NH3+])C1 ZINC000414780368 433830212 /nfs/dbraw/zinc/83/02/12/433830212.db2.gz TULPOOHBWOOSJC-UHFFFAOYSA-N 1 1 317.414 3.245 20 5 DGBDMO CCN(CC)CC[NH2+][C@H]1CC(C)(C)c2ccc([N+](=O)[O-])cc21 ZINC000433152177 433843334 /nfs/dbraw/zinc/84/33/34/433843334.db2.gz QFLMSJKTGQLOOY-INIZCTEOSA-N 1 1 305.422 3.249 20 5 DGBDMO CC[N@@H+](Cc1ccc(-c2ccccc2[N+](=O)[O-])o1)[C@@H](C)CO ZINC000293727921 433846564 /nfs/dbraw/zinc/84/65/64/433846564.db2.gz UPDLQZBHBFVCGZ-LBPRGKRZSA-N 1 1 304.346 3.058 20 5 DGBDMO O=[N+]([O-])c1ccc2[nH]c(C[NH2+]Cc3ccc(Cl)cc3)nc2c1 ZINC000352080143 433899125 /nfs/dbraw/zinc/89/91/25/433899125.db2.gz VIHULKRRPJKZPY-UHFFFAOYSA-N 1 1 316.748 3.414 20 5 DGBDMO CCn1cc(CC[N@@H+](Cc2ccc([N+](=O)[O-])cc2)C(C)C)cn1 ZINC000284956610 433905588 /nfs/dbraw/zinc/90/55/88/433905588.db2.gz JIXDICLOTUAGPD-UHFFFAOYSA-N 1 1 316.405 3.264 20 5 DGBDMO [NH3+][C@H]1CCC[C@@H](NCc2ccc(-c3cccc([N+](=O)[O-])c3)o2)C1 ZINC000414910444 433912281 /nfs/dbraw/zinc/91/22/81/433912281.db2.gz CVDZWDHZEPFCKU-UONOGXRCSA-N 1 1 315.373 3.214 20 5 DGBDMO O=[N+]([O-])c1cc(C[N@@H+]2CCC[C@H]2[C@H]2CCCO2)ccc1Cl ZINC000284986877 433913485 /nfs/dbraw/zinc/91/34/85/433913485.db2.gz YHJXFLKFIFTTSQ-DZGCQCFKSA-N 1 1 310.781 3.392 20 5 DGBDMO O=[N+]([O-])c1cc(C[N@H+]2CCC[C@H]2[C@H]2CCCO2)ccc1Cl ZINC000284986877 433913492 /nfs/dbraw/zinc/91/34/92/433913492.db2.gz YHJXFLKFIFTTSQ-DZGCQCFKSA-N 1 1 310.781 3.392 20 5 DGBDMO O=[N+]([O-])c1ccc(Cl)c(C[NH+]2CCC(c3cn[nH]c3)CC2)c1 ZINC000377725317 293703277 /nfs/dbraw/zinc/70/32/77/293703277.db2.gz JHIBBVRUEMEMCD-UHFFFAOYSA-N 1 1 320.780 3.351 20 5 DGBDMO Cc1nc(NCCC[N@H+](C)Cc2ccccc2)ccc1[N+](=O)[O-] ZINC000303336250 433934837 /nfs/dbraw/zinc/93/48/37/433934837.db2.gz RBJDANMPFCFKBL-UHFFFAOYSA-N 1 1 314.389 3.232 20 5 DGBDMO O=[N+]([O-])c1ccc(C[N@H+]2CCC[C@@H]2[C@@H]2CCCO2)c(Cl)c1 ZINC000284335409 433887286 /nfs/dbraw/zinc/88/72/86/433887286.db2.gz BVIPFAMGFDLAQO-CABCVRRESA-N 1 1 310.781 3.392 20 5 DGBDMO O=[N+]([O-])c1ccc(C[N@H+]2CCC[C@@H]2[C@H]2CCCO2)c(Cl)c1 ZINC000284335416 433887719 /nfs/dbraw/zinc/88/77/19/433887719.db2.gz BVIPFAMGFDLAQO-HUUCEWRRSA-N 1 1 310.781 3.392 20 5 DGBDMO CC(C)c1ccc(CN[C@@H](C)[C@@H]2CCC[NH2+]C2)cc1[N+](=O)[O-] ZINC000414864454 433892464 /nfs/dbraw/zinc/89/24/64/433892464.db2.gz YPVMELXUKJJOOX-DZGCQCFKSA-N 1 1 305.422 3.196 20 5 DGBDMO Cc1cccc2nc(C[N@@H+](C)CCc3ccccc3[N+](=O)[O-])cn21 ZINC000285443993 433954347 /nfs/dbraw/zinc/95/43/47/433954347.db2.gz XTSWXNWIIFPJMI-UHFFFAOYSA-N 1 1 324.384 3.225 20 5 DGBDMO C[C@@H](C(=O)Nc1ccc([N+](=O)[O-])cc1)[N@H+]1CCC[C@@H](C)CC1 ZINC000357385910 433984028 /nfs/dbraw/zinc/98/40/28/433984028.db2.gz AXJDZYJAPHLHGK-OLZOCXBDSA-N 1 1 305.378 3.044 20 5 DGBDMO CC[C@@H](Cc1ccccc1)[N@@H+](CC)Cc1c([N+](=O)[O-])ncn1C ZINC000345958523 434023856 /nfs/dbraw/zinc/02/38/56/434023856.db2.gz PRRKADQLEUWPFK-HNNXBMFYSA-N 1 1 316.405 3.172 20 5 DGBDMO Cc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@H+]1CCC[C@@H]1C1CC1 ZINC000363385429 434037503 /nfs/dbraw/zinc/03/75/03/434037503.db2.gz YWRAGEPEKOZXQL-MRXNPFEDSA-N 1 1 317.389 3.106 20 5 DGBDMO C[C@H](c1ccccc1)[C@@H](O)C[N@@H+](C)Cc1ccccc1[N+](=O)[O-] ZINC000450226510 434040574 /nfs/dbraw/zinc/04/05/74/434040574.db2.gz LHVRDUOVGHXWNT-KDOFPFPSSA-N 1 1 314.385 3.191 20 5 DGBDMO CC[C@H]1CC[C@@H](C)[N@H+]1CCC(=O)Nc1cccc([N+](=O)[O-])c1C ZINC000357524154 434064472 /nfs/dbraw/zinc/06/44/72/434064472.db2.gz AUQCTDRHOILPBX-OCCSQVGLSA-N 1 1 319.405 3.495 20 5 DGBDMO N[C@H]1CCCCC[C@H]1[NH2+]CCCCc1ccc([N+](=O)[O-])cc1 ZINC000422918505 434106123 /nfs/dbraw/zinc/10/61/23/434106123.db2.gz IJPOJLRWFHNFPY-DLBZAZTESA-N 1 1 305.422 3.167 20 5 DGBDMO C[C@H]([NH2+]CCCCc1ccc([N+](=O)[O-])cc1)[C@@H]1CCCCN1 ZINC000422918013 434109728 /nfs/dbraw/zinc/10/97/28/434109728.db2.gz HCNOSKFDVZHYGN-YOEHRIQHSA-N 1 1 305.422 3.038 20 5 DGBDMO O=[N+]([O-])c1ccccc1OCC[N@H+]1CCCc2ccccc2C1 ZINC000498943303 294073971 /nfs/dbraw/zinc/07/39/71/294073971.db2.gz XCTZVAKOAUIWAW-UHFFFAOYSA-N 1 1 312.369 3.422 20 5 DGBDMO CCC1(C)CC[NH+](CC(=O)Nc2cc([N+](=O)[O-])ccc2C)CC1 ZINC000507176450 294286934 /nfs/dbraw/zinc/28/69/34/294286934.db2.gz BGFNCLHCDMJIJE-UHFFFAOYSA-N 1 1 319.405 3.354 20 5 DGBDMO CCCCC[NH2+][C@H](c1nccn1C)c1cccc([N+](=O)[O-])c1 ZINC000353439095 434133308 /nfs/dbraw/zinc/13/33/08/434133308.db2.gz HQQDNPKJUKNPAA-HNNXBMFYSA-N 1 1 302.378 3.198 20 5 DGBDMO O=[N+]([O-])c1cccc(F)c1C[N@H+]1CCCC2(CCOCC2)C1 ZINC000357787997 434179506 /nfs/dbraw/zinc/17/95/06/434179506.db2.gz VLBKUPCUUHFMNZ-UHFFFAOYSA-N 1 1 308.353 3.127 20 5 DGBDMO CC[C@@H](CO)[N@@H+](C)Cc1ccc(-c2ccccc2[N+](=O)[O-])o1 ZINC000295082775 434187583 /nfs/dbraw/zinc/18/75/83/434187583.db2.gz IMNIGYSEAGNWHY-LBPRGKRZSA-N 1 1 304.346 3.058 20 5 DGBDMO CC(C)c1ccc(CN[C@H]2CC[N@H+]3CCC[C@H]3C2)cc1[N+](=O)[O-] ZINC000363924816 434188492 /nfs/dbraw/zinc/18/84/92/434188492.db2.gz SVOOSLGBIUJELK-HOTGVXAUSA-N 1 1 317.433 3.435 20 5 DGBDMO COc1cc(C[N@H+]2CC[C@H](CC(C)C)C2)c([N+](=O)[O-])cc1OC ZINC000353590946 434257987 /nfs/dbraw/zinc/25/79/87/434257987.db2.gz HQOXUIRTJMWXNS-CYBMUJFWSA-N 1 1 322.405 3.480 20 5 DGBDMO CC1(C)C[C@@H](O)CC[N@H+](Cc2cc(Cl)ccc2[N+](=O)[O-])C1 ZINC000295210725 434259139 /nfs/dbraw/zinc/25/91/39/434259139.db2.gz LOQZIVIUZNXYRS-ZDUSSCGKSA-N 1 1 312.797 3.231 20 5 DGBDMO CC1(C)C[C@@H](O)CC[N@@H+](Cc2cc(Cl)ccc2[N+](=O)[O-])C1 ZINC000295210725 434259148 /nfs/dbraw/zinc/25/91/48/434259148.db2.gz LOQZIVIUZNXYRS-ZDUSSCGKSA-N 1 1 312.797 3.231 20 5 DGBDMO O=[N+]([O-])c1ccc(N[C@@H]2CC[N@@H+](CCC3=CCCCC3)C2)nc1 ZINC000450567049 434269567 /nfs/dbraw/zinc/26/95/67/434269567.db2.gz LHJBIDMRGDUCCD-OAHLLOKOSA-N 1 1 316.405 3.367 20 5 DGBDMO COc1ccc([N+](=O)[O-])cc1C[NH2+]C(C)(C)c1ccc(C)nc1 ZINC000353568517 434234244 /nfs/dbraw/zinc/23/42/44/434234244.db2.gz JTKOACWPKDLCRW-UHFFFAOYSA-N 1 1 315.373 3.332 20 5 DGBDMO CCC[C@H](N[C@@H](C)[C@@H]1CCC[NH2+]C1)c1cccc([N+](=O)[O-])c1 ZINC000423206387 434286504 /nfs/dbraw/zinc/28/65/04/434286504.db2.gz BYAURTLOWPIYOI-LXZKKBNFSA-N 1 1 305.422 3.414 20 5 DGBDMO CC[C@@H]1CCC[N@H+]1Cc1nc(-c2ccc([N+](=O)[O-])cc2)no1 ZINC000340678887 434292957 /nfs/dbraw/zinc/29/29/57/434292957.db2.gz MVEKARLYXMICNW-GFCCVEGCSA-N 1 1 302.334 3.019 20 5 DGBDMO CC[C@@H]1CCC[N@H+]1CCC(=O)Nc1cccc([N+](=O)[O-])c1C ZINC000340683756 434295160 /nfs/dbraw/zinc/29/51/60/434295160.db2.gz VUOCOFSKIYKSCS-CYBMUJFWSA-N 1 1 305.378 3.106 20 5 DGBDMO CC[C@H]1CCC[N@H+]1CCC(=O)Nc1cccc([N+](=O)[O-])c1C ZINC000340683759 434296112 /nfs/dbraw/zinc/29/61/12/434296112.db2.gz VUOCOFSKIYKSCS-ZDUSSCGKSA-N 1 1 305.378 3.106 20 5 DGBDMO COc1ccc([N+](=O)[O-])cc1C[N@H+]1CC[C@@H]1Cc1ccccc1 ZINC000437829551 434349129 /nfs/dbraw/zinc/34/91/29/434349129.db2.gz QIBXHDOBGHGMQV-MRXNPFEDSA-N 1 1 312.369 3.420 20 5 DGBDMO C[C@H](CN)[NH2+][C@H](C)c1ccc(-c2ccccc2[N+](=O)[O-])s1 ZINC000423324950 434360473 /nfs/dbraw/zinc/36/04/73/434360473.db2.gz LHCBLRXJSJRABD-GHMZBOCLSA-N 1 1 305.403 3.321 20 5 DGBDMO CCC[N@H+](CCN1CCCC1)Cc1ccc(C)c([N+](=O)[O-])c1 ZINC000348556059 434396690 /nfs/dbraw/zinc/39/66/90/434396690.db2.gz OMFNIGOAOZXOQD-UHFFFAOYSA-N 1 1 305.422 3.211 20 5 DGBDMO CCC[N@@H+](CCN1CCCC1)Cc1ccc(C)c([N+](=O)[O-])c1 ZINC000348556059 434396695 /nfs/dbraw/zinc/39/66/95/434396695.db2.gz OMFNIGOAOZXOQD-UHFFFAOYSA-N 1 1 305.422 3.211 20 5 DGBDMO C[N@@H+](CCc1ccccc1[N+](=O)[O-])Cc1cccc2c[nH]nc21 ZINC000348637219 434423217 /nfs/dbraw/zinc/42/32/17/434423217.db2.gz SYCZFFWJDKLBIP-UHFFFAOYSA-N 1 1 310.357 3.146 20 5 DGBDMO Cc1ccc([C@H](C)[NH2+]C2C[C@H]3CC[C@@H](C2)[N@H+]3C)cc1[N+](=O)[O-] ZINC000296059270 434494105 /nfs/dbraw/zinc/49/41/05/434494105.db2.gz VSPJKDPFXPJMBN-WWTUQBGBSA-N 1 1 303.406 3.179 20 5 DGBDMO Cc1ccc([C@H](C)[NH2+]C2C[C@H]3CC[C@@H](C2)N3C)cc1[N+](=O)[O-] ZINC000296059270 434494119 /nfs/dbraw/zinc/49/41/19/434494119.db2.gz VSPJKDPFXPJMBN-WWTUQBGBSA-N 1 1 303.406 3.179 20 5 DGBDMO CC(C)c1ccc(CNCC2([NH+](C)C)CCC2)cc1[N+](=O)[O-] ZINC000438339409 434457581 /nfs/dbraw/zinc/45/75/81/434457581.db2.gz DYYDWRIRQBUFJD-UHFFFAOYSA-N 1 1 305.422 3.292 20 5 DGBDMO C[C@@H]1Cc2[nH+]cn(CCOc3ccc([N+](=O)[O-])cc3)c2C[C@@H]1C ZINC000450994836 434521680 /nfs/dbraw/zinc/52/16/80/434521680.db2.gz DMLLBOUEARYSAI-OLZOCXBDSA-N 1 1 315.373 3.241 20 5 DGBDMO C[C@@H]1Cc2[nH+]cn(Cc3c(F)cc([N+](=O)[O-])cc3F)c2C[C@@H]1C ZINC000450995424 434526649 /nfs/dbraw/zinc/52/66/49/434526649.db2.gz DUSYHLWDCDTSNY-ZJUUUORDSA-N 1 1 321.327 3.489 20 5 DGBDMO Cc1cc(N2CCC[C@H]([N@@H+]3[C@H](C)CC[C@@H]3C)C2)ncc1[N+](=O)[O-] ZINC000408278851 434558598 /nfs/dbraw/zinc/55/85/98/434558598.db2.gz YRZACERHHJBBRD-ZNMIVQPWSA-N 1 1 318.421 3.140 20 5 DGBDMO CC(C)C[N@@H+](CCc1ccc([N+](=O)[O-])cc1)Cc1cnn(C)c1 ZINC000459584930 434621674 /nfs/dbraw/zinc/62/16/74/434621674.db2.gz BKRVMHYMKPOCOH-UHFFFAOYSA-N 1 1 316.405 3.029 20 5 DGBDMO CCOc1ccc([C@H](C)N[C@@H]2CC[N@@H+](C)[C@@H](C)C2)cc1[N+](=O)[O-] ZINC000349245955 434649359 /nfs/dbraw/zinc/64/93/59/434649359.db2.gz IWYOEKGWFSDMCY-KCQAQPDRSA-N 1 1 321.421 3.127 20 5 DGBDMO CCOc1ccc([C@H](C)[NH2+][C@@H]2CCN(C)[C@@H](C)C2)cc1[N+](=O)[O-] ZINC000349245955 434649363 /nfs/dbraw/zinc/64/93/63/434649363.db2.gz IWYOEKGWFSDMCY-KCQAQPDRSA-N 1 1 321.421 3.127 20 5 DGBDMO CCOC[C@@H]1CCCC[N@H+]1C/C=C/c1ccccc1[N+](=O)[O-] ZINC000459676278 434658713 /nfs/dbraw/zinc/65/87/13/434658713.db2.gz NKYGWDQEKGUXPJ-DYLHUKMJSA-N 1 1 304.390 3.499 20 5 DGBDMO C[C@@H]1CC[N@@H+](Cc2ccc(-c3ccccc3[N+](=O)[O-])o2)C[C@@H]1O ZINC000349341335 434679415 /nfs/dbraw/zinc/67/94/15/434679415.db2.gz AUXJEGYZGFBMDZ-WBMJQRKESA-N 1 1 316.357 3.058 20 5 DGBDMO CCC(C)(C)CC[N@H+]1CC[C@@H](Nc2ccc([N+](=O)[O-])cn2)C1 ZINC000440483519 434706514 /nfs/dbraw/zinc/70/65/14/434706514.db2.gz DBGSVHNBOGVWFZ-CYBMUJFWSA-N 1 1 306.410 3.302 20 5 DGBDMO O=[N+]([O-])c1cc(C[N@H+]2CC[C@@H](O)[C@H](C3CCCC3)C2)cs1 ZINC000459778652 434716223 /nfs/dbraw/zinc/71/62/23/434716223.db2.gz YXSGVTAKDPOXRV-UONOGXRCSA-N 1 1 310.419 3.029 20 5 DGBDMO O=[N+]([O-])c1cc(C[N@@H+]2CC[C@@H](O)[C@H](C3CCCC3)C2)cs1 ZINC000459778652 434716230 /nfs/dbraw/zinc/71/62/30/434716230.db2.gz YXSGVTAKDPOXRV-UONOGXRCSA-N 1 1 310.419 3.029 20 5 DGBDMO N[C@@H]1CCCC[C@H]1[NH2+][C@H]1CCC[C@H]1Cc1ccccc1[N+](=O)[O-] ZINC000424380352 434716880 /nfs/dbraw/zinc/71/68/80/434716880.db2.gz WXRKTGWGRCQRDZ-PQEBFOHHSA-N 1 1 317.433 3.166 20 5 DGBDMO N[C@@H]1CCCC[C@H]1[NH2+][C@@H]1CCC[C@@H]1Cc1ccccc1[N+](=O)[O-] ZINC000424380350 434717196 /nfs/dbraw/zinc/71/71/96/434717196.db2.gz WXRKTGWGRCQRDZ-MWQQHZPXSA-N 1 1 317.433 3.166 20 5 DGBDMO CCn1c(C)nc([N+](=O)[O-])c1NCC(C)(C)[N@H+]1CCC[C@H](C)C1 ZINC000360961682 434743740 /nfs/dbraw/zinc/74/37/40/434743740.db2.gz STTBYTTZEDDDJN-LBPRGKRZSA-N 1 1 323.441 3.042 20 5 DGBDMO CC1(C)C[N@@H+](CCOc2ccc([N+](=O)[O-])cc2)[C@@H]2CCC[C@H]2O1 ZINC000440966596 434760613 /nfs/dbraw/zinc/76/06/13/434760613.db2.gz RPUUCRVDWSDPLX-HZPDHXFCSA-N 1 1 320.389 3.006 20 5 DGBDMO O=[N+]([O-])c1ccccc1C[N@@H+](CCc1cncs1)C1CC1 ZINC000411400767 434772844 /nfs/dbraw/zinc/77/28/44/434772844.db2.gz OQEZFIBQSZUOKO-UHFFFAOYSA-N 1 1 303.387 3.258 20 5 DGBDMO C[C@@H]([NH2+]Cc1c([N+](=O)[O-])ncn1C)c1ccc(C2CC2)cc1 ZINC000419353601 434775913 /nfs/dbraw/zinc/77/59/13/434775913.db2.gz LLZXJXCETAIQLF-LLVKDONJSA-N 1 1 300.362 3.057 20 5 DGBDMO O=[N+]([O-])c1cnc2c(c1)C[N@@H+]([C@@H]1C[C@H]1c1cccc(F)c1)CC2 ZINC000411482634 434788332 /nfs/dbraw/zinc/78/83/32/434788332.db2.gz TXRDQTDGLFMSMY-DOTOQJQBSA-N 1 1 313.332 3.043 20 5 DGBDMO O=[N+]([O-])c1ccc([C@H]2CCC[N@@H+](CCc3cncs3)C2)cc1 ZINC000411797132 434831339 /nfs/dbraw/zinc/83/13/39/434831339.db2.gz WMJMVXHRXQSNLS-AWEZNQCLSA-N 1 1 317.414 3.473 20 5 DGBDMO C[C@@H]1CC(C)(C)C[N@H+]1Cc1nc(-c2ccc([N+](=O)[O-])cc2)no1 ZINC000412046209 434860920 /nfs/dbraw/zinc/86/09/20/434860920.db2.gz QRFHEKDYTCFGLP-LLVKDONJSA-N 1 1 316.361 3.265 20 5 DGBDMO O=[N+]([O-])c1cccc2c(NCc3c[nH+]c4n3CCCC4)ccnc21 ZINC000573159503 434877768 /nfs/dbraw/zinc/87/77/68/434877768.db2.gz XSTMNGJTLWMYSL-UHFFFAOYSA-N 1 1 323.356 3.288 20 5 DGBDMO CC[N@H+]1CC[C@@H](N(C)c2cc(C)c([N+](=O)[O-])cc2F)C[C@H]1C ZINC000461947799 434893125 /nfs/dbraw/zinc/89/31/25/434893125.db2.gz KXVRJYRMHXXZGY-CHWSQXEVSA-N 1 1 309.385 3.351 20 5 DGBDMO CCOc1cc(C[N@@H+](CCCO)CC(C)(C)C)ccc1[N+](=O)[O-] ZINC000492611291 435021539 /nfs/dbraw/zinc/02/15/39/435021539.db2.gz ZWKNUWAQYBGNEZ-UHFFFAOYSA-N 1 1 324.421 3.224 20 5 DGBDMO CCC[N@@H+](CC)C[C@H](C)Nc1ccc(C(C)=O)cc1[N+](=O)[O-] ZINC000578183832 435065216 /nfs/dbraw/zinc/06/52/16/435065216.db2.gz NDMWIKHIVOXWHL-LBPRGKRZSA-N 1 1 307.394 3.330 20 5 DGBDMO Cc1ccc([N+](=O)[O-])cc1[C@H](C)[NH2+]CC1(N(C)C)CCCC1 ZINC000531689094 435110748 /nfs/dbraw/zinc/11/07/48/435110748.db2.gz SSSZJLQEYDJVMB-AWEZNQCLSA-N 1 1 305.422 3.428 20 5 DGBDMO COc1ccc(OCC[N@H+]2CCCC(C)(C)C2)c([N+](=O)[O-])c1 ZINC000467287354 435116183 /nfs/dbraw/zinc/11/61/83/435116183.db2.gz AYAPADPZWJXAMY-UHFFFAOYSA-N 1 1 308.378 3.104 20 5 DGBDMO C/C(=C\c1cccc([N+](=O)[O-])c1)C[N@H+]1C[C@H](C)O[C@@H](C2CC2)C1 ZINC000475282829 435188146 /nfs/dbraw/zinc/18/81/46/435188146.db2.gz HIICYPKYDDHMDJ-LEDHSJFXSA-N 1 1 316.401 3.497 20 5 DGBDMO C/C(=C\c1cccc([N+](=O)[O-])c1)C[N@@H+]1C[C@H](C)O[C@@H](C2CC2)C1 ZINC000475282829 435188150 /nfs/dbraw/zinc/18/81/50/435188150.db2.gz HIICYPKYDDHMDJ-LEDHSJFXSA-N 1 1 316.401 3.497 20 5 DGBDMO CC1(C)CC[N@H+](Cc2cc([N+](=O)[O-])ccc2OC(F)F)C1 ZINC000560541841 435178534 /nfs/dbraw/zinc/17/85/34/435178534.db2.gz XVEPBLSUMMKZCI-UHFFFAOYSA-N 1 1 300.305 3.428 20 5 DGBDMO CC1(C)CC[N@@H+](Cc2cc([N+](=O)[O-])ccc2OC(F)F)C1 ZINC000560541841 435178537 /nfs/dbraw/zinc/17/85/37/435178537.db2.gz XVEPBLSUMMKZCI-UHFFFAOYSA-N 1 1 300.305 3.428 20 5 DGBDMO CCC[N@@H+]1CCC[C@H]1CN[C@@H](C)c1cccc([N+](=O)[O-])c1C ZINC000560582321 435182832 /nfs/dbraw/zinc/18/28/32/435182832.db2.gz OWTWHESHSGCYAL-GJZGRUSLSA-N 1 1 305.422 3.428 20 5 DGBDMO CCC[N@H+]1CCC[C@H]1CN[C@@H](C)c1cccc([N+](=O)[O-])c1C ZINC000560582321 435182835 /nfs/dbraw/zinc/18/28/35/435182835.db2.gz OWTWHESHSGCYAL-GJZGRUSLSA-N 1 1 305.422 3.428 20 5 DGBDMO C[N@@H+](C/C=C\c1ccccc1[N+](=O)[O-])C[C@@H]1CCCC[C@@H]1O ZINC000497117325 435299778 /nfs/dbraw/zinc/29/97/78/435299778.db2.gz UMUMSBGGJISXID-NUZZVJGCSA-N 1 1 304.390 3.091 20 5 DGBDMO CCOC(=O)[C@H](CC(C)C)[N@H+](C)CCc1ccccc1[N+](=O)[O-] ZINC000511143342 435315218 /nfs/dbraw/zinc/31/52/18/435315218.db2.gz QLFLWYGTAHMLKJ-INIZCTEOSA-N 1 1 322.405 3.047 20 5 DGBDMO CCOC(=O)[C@H](CC(C)C)[N@@H+](C)CCc1ccccc1[N+](=O)[O-] ZINC000511143342 435315222 /nfs/dbraw/zinc/31/52/22/435315222.db2.gz QLFLWYGTAHMLKJ-INIZCTEOSA-N 1 1 322.405 3.047 20 5 DGBDMO COc1ccc([N+](=O)[O-])c(N[C@@H]2C[N@@H+](C)Cc3ccccc32)c1 ZINC000535264652 435326943 /nfs/dbraw/zinc/32/69/43/435326943.db2.gz GFRJHGSPVZSTSM-MRXNPFEDSA-N 1 1 313.357 3.202 20 5 DGBDMO C[C@H](CN1CCCCCC1)[NH2+]C/C=C/c1ccccc1[N+](=O)[O-] ZINC000479605228 435342655 /nfs/dbraw/zinc/34/26/55/435342655.db2.gz XENLCTHZUVEMDO-XAVKZTDYSA-N 1 1 317.433 3.462 20 5 DGBDMO CN(CC[N@@H+](C)CCc1ccccc1[N+](=O)[O-])c1ccccc1 ZINC000511110057 435313348 /nfs/dbraw/zinc/31/33/48/435313348.db2.gz TZNWJXBACFYSGT-UHFFFAOYSA-N 1 1 313.401 3.206 20 5 DGBDMO C[N@@H+](CCc1ccccc1F)CCc1ccccc1[N+](=O)[O-] ZINC000511120433 435313954 /nfs/dbraw/zinc/31/39/54/435313954.db2.gz HQGDJVFTFSQGKM-UHFFFAOYSA-N 1 1 302.349 3.451 20 5 DGBDMO Cc1cc(N2CC[C@H](C[N@@H+](C)CC3CC3)C2)ccc1[N+](=O)[O-] ZINC000537828677 435468755 /nfs/dbraw/zinc/46/87/55/435468755.db2.gz ZDUGSGNNTOOZNG-OAHLLOKOSA-N 1 1 303.406 3.071 20 5 DGBDMO COc1ccc(OCC[N@H+]2CCC(C)=C(C)C2)c([N+](=O)[O-])c1 ZINC000483383717 435515594 /nfs/dbraw/zinc/51/55/94/435515594.db2.gz ZRWMIILPNZHQAW-UHFFFAOYSA-N 1 1 306.362 3.024 20 5 DGBDMO CC[C@@H]1C[C@H](C)C[N@H+]1Cc1cc(OC)c(OC)cc1[N+](=O)[O-] ZINC000538725759 435517445 /nfs/dbraw/zinc/51/74/45/435517445.db2.gz VKUQJYFVYRRINF-WCQYABFASA-N 1 1 308.378 3.232 20 5 DGBDMO CC[N@@H+]1CCCC[C@@H]1CN[C@H](C)c1cccc([N+](=O)[O-])c1C ZINC000482866025 435486544 /nfs/dbraw/zinc/48/65/44/435486544.db2.gz DTTBFNPZJRTJEE-HUUCEWRRSA-N 1 1 305.422 3.428 20 5 DGBDMO CC[N@H+]1CCCC[C@@H]1CN[C@H](C)c1cccc([N+](=O)[O-])c1C ZINC000482866025 435486547 /nfs/dbraw/zinc/48/65/47/435486547.db2.gz DTTBFNPZJRTJEE-HUUCEWRRSA-N 1 1 305.422 3.428 20 5 DGBDMO O=[N+]([O-])c1ccccc1/C=C\C[N@@H+]1CCOC[C@H]1C1CCC1 ZINC000516927872 435561100 /nfs/dbraw/zinc/56/11/00/435561100.db2.gz PJGCBKWXEBIASD-LYLYKKCESA-N 1 1 302.374 3.109 20 5 DGBDMO O=[N+]([O-])c1ccccc1/C=C\C[N@H+]1CCOC[C@H]1C1CCC1 ZINC000516927872 435561104 /nfs/dbraw/zinc/56/11/04/435561104.db2.gz PJGCBKWXEBIASD-LYLYKKCESA-N 1 1 302.374 3.109 20 5 DGBDMO Cc1ccc([N+](=O)[O-])cc1[C@H](C)[NH2+][C@@H]1CCCc2cn[nH]c21 ZINC000540156078 435591026 /nfs/dbraw/zinc/59/10/26/435591026.db2.gz FFJMVEWPOIEHDC-XHDPSFHLSA-N 1 1 300.362 3.355 20 5 DGBDMO Cc1ccc([N+](=O)[O-])cc1[C@H](C)[NH2+][C@@H]1CCCc2c[nH]nc21 ZINC000540156078 435591029 /nfs/dbraw/zinc/59/10/29/435591029.db2.gz FFJMVEWPOIEHDC-XHDPSFHLSA-N 1 1 300.362 3.355 20 5 DGBDMO Cc1cccc([N+](=O)[O-])c1N1CCC(C[N@H+](C)C(C)C)CC1 ZINC000548285225 435680781 /nfs/dbraw/zinc/68/07/81/435680781.db2.gz PWRADVGGWFSLIR-UHFFFAOYSA-N 1 1 305.422 3.460 20 5 DGBDMO O=[N+]([O-])c1ccc(C[N@@H+]2CC[C@H](Oc3ccccc3)C2)c(F)c1 ZINC000520402464 435741870 /nfs/dbraw/zinc/74/18/70/435741870.db2.gz SNOPYXCNNVTXSG-INIZCTEOSA-N 1 1 316.332 3.387 20 5 DGBDMO O=[N+]([O-])c1ccc(C[N@H+]2CC[C@H](Oc3ccccc3)C2)c(F)c1 ZINC000520402464 435741874 /nfs/dbraw/zinc/74/18/74/435741874.db2.gz SNOPYXCNNVTXSG-INIZCTEOSA-N 1 1 316.332 3.387 20 5 DGBDMO Cc1cccc(OCC[N@H+](C)CCc2cccc([N+](=O)[O-])c2)c1 ZINC000549170476 435743860 /nfs/dbraw/zinc/74/38/60/435743860.db2.gz CSZABKPKTUWYJU-UHFFFAOYSA-N 1 1 314.385 3.457 20 5 DGBDMO Cc1cccc(N2CC[N@H+]([C@@H]3C[C@H]3C)C[C@H](C)C2)c1[N+](=O)[O-] ZINC000549199748 435747649 /nfs/dbraw/zinc/74/76/49/435747649.db2.gz KUJFJYBVSYLMOV-XNRPHZJLSA-N 1 1 303.406 3.070 20 5 DGBDMO Cc1cccc(N2CC[N@H+]([C@@H]3C[C@H]3C)C[C@@H](C)C2)c1[N+](=O)[O-] ZINC000549199747 435749971 /nfs/dbraw/zinc/74/99/71/435749971.db2.gz KUJFJYBVSYLMOV-JGGQBBKZSA-N 1 1 303.406 3.070 20 5 DGBDMO CN(C)CC(C)(C)C[NH2+][C@H](Cc1ccccc1[N+](=O)[O-])C1CC1 ZINC000132107474 312635147 /nfs/dbraw/zinc/63/51/47/312635147.db2.gz ZEVAPKDDZCCLOC-MRXNPFEDSA-N 1 1 319.449 3.093 20 5 DGBDMO CC(C)(C)[C@H]1CC[N@@H+](CCC(=O)Nc2ccc([N+](=O)[O-])cc2)C1 ZINC000542322273 314069898 /nfs/dbraw/zinc/06/98/98/314069898.db2.gz SLUVYAQZRYOZNX-ZDUSSCGKSA-N 1 1 319.405 3.291 20 5 DGBDMO C[C@@H](C(=O)Nc1ccccc1[N+](=O)[O-])[N@H+]1CC[C@H](C(C)(C)C)C1 ZINC000542319144 314070153 /nfs/dbraw/zinc/07/01/53/314070153.db2.gz CSPCXGAPCZDSJS-STQMWFEESA-N 1 1 319.405 3.290 20 5 DGBDMO C[C@@H](C(=O)Nc1ccccc1[N+](=O)[O-])[N@H+]1CC[C@@H](C(C)(C)C)C1 ZINC000542319141 314070413 /nfs/dbraw/zinc/07/04/13/314070413.db2.gz CSPCXGAPCZDSJS-QWHCGFSZSA-N 1 1 319.405 3.290 20 5 DGBDMO Cc1ccc(NC(=O)CC[N@H+](C)C2CCCCC2)cc1[N+](=O)[O-] ZINC000546016097 314284687 /nfs/dbraw/zinc/28/46/87/314284687.db2.gz PNEYXGOQBOWSDN-UHFFFAOYSA-N 1 1 319.405 3.496 20 5 DGBDMO CCc1cc(C[NH2+][C@@H]2CCCc3ccc([N+](=O)[O-])cc32)on1 ZINC000563594144 315126221 /nfs/dbraw/zinc/12/62/21/315126221.db2.gz TWCNNPPNIGLLNT-MRXNPFEDSA-N 1 1 301.346 3.312 20 5 DGBDMO CCC[C@@H]1CCCC[N@H+]1CC(=O)Nc1ccc([N+](=O)[O-])cc1C ZINC000564611600 315186249 /nfs/dbraw/zinc/18/62/49/315186249.db2.gz JEFJGPWIDMDOLI-CQSZACIVSA-N 1 1 319.405 3.496 20 5 DGBDMO O=[N+]([O-])c1ccc(C[N@@H+]2CCOC[C@H](C3CCC3)C2)c(Cl)c1 ZINC000576972119 316188426 /nfs/dbraw/zinc/18/84/26/316188426.db2.gz VLYOZWAHIOSHEU-CQSZACIVSA-N 1 1 324.808 3.497 20 5 DGBDMO O=[N+]([O-])c1ccc(C[N@H+]2CCOC[C@H](C3CCC3)C2)c(Cl)c1 ZINC000576972119 316188428 /nfs/dbraw/zinc/18/84/28/316188428.db2.gz VLYOZWAHIOSHEU-CQSZACIVSA-N 1 1 324.808 3.497 20 5 DGBDMO CCOC(=O)C[C@H](C)[N@@H+](C)Cc1ccc(Cl)cc1[N+](=O)[O-] ZINC000182632612 323306537 /nfs/dbraw/zinc/30/65/37/323306537.db2.gz MPLPKKLFVWJMQC-JTQLQIEISA-N 1 1 314.769 3.022 20 5 DGBDMO CCC[C@H]1CCCC[N@H+]1CC(=O)N(C)c1ccc([N+](=O)[O-])cc1 ZINC000185879317 323397576 /nfs/dbraw/zinc/39/75/76/323397576.db2.gz QVTJOQNXMVIPSC-HNNXBMFYSA-N 1 1 319.405 3.212 20 5 DGBDMO CSC[C@@H]1CCC[N@@H+](CCOc2ccccc2[N+](=O)[O-])C1 ZINC000292459006 533734171 /nfs/dbraw/zinc/73/41/71/533734171.db2.gz QFBJMHBRCJJGQW-CYBMUJFWSA-N 1 1 310.419 3.049 20 5 DGBDMO CS[C@@H]1CCCC[N@@H+](CCOc2cccc([N+](=O)[O-])c2)C1 ZINC000441110381 533942504 /nfs/dbraw/zinc/94/25/04/533942504.db2.gz HEDFMFGXNZZQSY-OAHLLOKOSA-N 1 1 310.419 3.191 20 5 DGBDMO C[C@H]1C[N@@H+](C)[C@@H](C)CN1c1ccc([N+](=O)[O-])c(OC(C)(C)C)c1 ZINC000443504672 533978696 /nfs/dbraw/zinc/97/86/96/533978696.db2.gz YQZYBNAZEUDDTE-STQMWFEESA-N 1 1 321.421 3.301 20 5 DGBDMO C[C@@H](CNc1nccc2ccc([N+](=O)[O-])cc21)[N@@H+](C)C1CC1 ZINC000413119512 534099736 /nfs/dbraw/zinc/09/97/36/534099736.db2.gz OKORYEJGLSIYBG-NSHDSACASA-N 1 1 300.362 3.038 20 5 DGBDMO C[C@@H]1CC[C@@H]([N@@H+](CCO)Cc2ccc(Cl)cc2[N+](=O)[O-])C1 ZINC000330812046 534176021 /nfs/dbraw/zinc/17/60/21/534176021.db2.gz AZHHIKYZQXLIKX-BXUZGUMPSA-N 1 1 312.797 3.231 20 5 DGBDMO Cc1ccnc(NCCC[N@@H+]2C[C@H](C)C[C@H](C)C2)c1[N+](=O)[O-] ZINC000301296652 534401911 /nfs/dbraw/zinc/40/19/11/534401911.db2.gz PHNZFAGLYTUOOW-BETUJISGSA-N 1 1 306.410 3.078 20 5 DGBDMO Cc1[nH+]ccn1-c1ccc(CNc2cccc(C)c2[N+](=O)[O-])cn1 ZINC000302521425 534766827 /nfs/dbraw/zinc/76/68/27/534766827.db2.gz XQEAONZXVBQEQY-UHFFFAOYSA-N 1 1 323.356 3.404 20 5 DGBDMO Cc1ccc(NCCc2cn3c([nH+]2)CCCC3)c([N+](=O)[O-])c1 ZINC000155537033 525279102 /nfs/dbraw/zinc/27/91/02/525279102.db2.gz RWZFXIVIOZZZGV-UHFFFAOYSA-N 1 1 300.362 3.091 20 5 DGBDMO O=[N+]([O-])c1ccc(N[C@@H]2CC[N@H+]3CCC[C@@H]3C2)c2ncccc12 ZINC000322725260 534882518 /nfs/dbraw/zinc/88/25/18/534882518.db2.gz RYSHNCULIGFMBU-CHWSQXEVSA-N 1 1 312.373 3.182 20 5 DGBDMO O=[N+]([O-])c1ccccc1CNC[C@@H]1CCC[N@H+]1C1CCCCC1 ZINC000435726078 534887368 /nfs/dbraw/zinc/88/73/68/534887368.db2.gz LNZYMSLATSCAMJ-KRWDZBQOSA-N 1 1 317.433 3.482 20 5 DGBDMO CC(C)c1ccc(C[N@@H+](C)[C@@H]2CCCC[C@H]2O)cc1[N+](=O)[O-] ZINC000428464254 528092688 /nfs/dbraw/zinc/09/26/88/528092688.db2.gz UXGBFICFVVWLBF-NVXWUHKLSA-N 1 1 306.406 3.454 20 5 DGBDMO CC1=CC[N@@H+](CCNc2ccc([N+](=O)[O-])c3ncccc23)CC1 ZINC000413229810 528120170 /nfs/dbraw/zinc/12/01/70/528120170.db2.gz KRTVMCXSKSTJRQ-UHFFFAOYSA-N 1 1 312.373 3.207 20 5 DGBDMO CCOc1cc(NC[C@@H]2CCCC[N@H+]2C2CC2)ccc1[N+](=O)[O-] ZINC000433810327 528326946 /nfs/dbraw/zinc/32/69/46/528326946.db2.gz ZPARZDWSGWOILM-HNNXBMFYSA-N 1 1 319.405 3.422 20 5 DGBDMO CC(C)[N@@H+](C)C[C@H](C)Nc1ncc([N+](=O)[O-])cc1C(F)(F)F ZINC000413310527 528833096 /nfs/dbraw/zinc/83/30/96/528833096.db2.gz NOCYYFMHPGWPDZ-VIFPVBQESA-N 1 1 320.315 3.149 20 5 DGBDMO CC[N@H+]1CCC[C@H]1CN(C)c1ccc([N+](=O)[O-])c2ncccc12 ZINC000413181786 529099080 /nfs/dbraw/zinc/09/90/80/529099080.db2.gz KAILRTSWPLZVAT-ZDUSSCGKSA-N 1 1 314.389 3.064 20 5 DGBDMO CC[N@H+]1CCC[C@H]1CNc1nccc2ccc([N+](=O)[O-])cc21 ZINC000413026458 529106922 /nfs/dbraw/zinc/10/69/22/529106922.db2.gz VIGWXEXOBQSIBW-AWEZNQCLSA-N 1 1 300.362 3.039 20 5 DGBDMO CC[C@@H](C)[N@@H+](C)CCNc1nccc2ccc([N+](=O)[O-])cc21 ZINC000413119191 529343953 /nfs/dbraw/zinc/34/39/53/529343953.db2.gz WWKOJONVZUTITP-GFCCVEGCSA-N 1 1 302.378 3.285 20 5 DGBDMO CCC[N@@H+]1CC[C@H](CNC/C(C)=C/c2cccc([N+](=O)[O-])c2)C1 ZINC000468627733 534955786 /nfs/dbraw/zinc/95/57/86/534955786.db2.gz ODYUWUDGEZMBSS-IUYQLWOBSA-N 1 1 317.433 3.320 20 5 DGBDMO CCC[N@H+]1CC[C@H](CNC/C(C)=C/c2cccc([N+](=O)[O-])c2)C1 ZINC000468627733 534955792 /nfs/dbraw/zinc/95/57/92/534955792.db2.gz ODYUWUDGEZMBSS-IUYQLWOBSA-N 1 1 317.433 3.320 20 5 DGBDMO CO[C@@H]1CC[N@@H+](C/C(C)=C\c2cccc([N+](=O)[O-])c2)C[C@H]1C ZINC000449497920 536678332 /nfs/dbraw/zinc/67/83/32/536678332.db2.gz KSJKYYZSRNAVJJ-BYPLOIIRSA-N 1 1 304.390 3.355 20 5 DGBDMO C[C@H](C(=O)OCc1c(F)cccc1[N+](=O)[O-])[NH+]1[C@H](C)CC[C@H]1C ZINC000741017239 574524107 /nfs/dbraw/zinc/52/41/07/574524107.db2.gz BVGVDISHVYJINT-IJLUTSLNSA-N 1 1 324.352 3.038 20 5 DGBDMO O=[N+]([O-])c1cc(C[NH2+][C@@H](CO)c2ccc(F)cc2)ccc1Cl ZINC000734851317 574679095 /nfs/dbraw/zinc/67/90/95/574679095.db2.gz ZBUZYIMICHPZMT-AWEZNQCLSA-N 1 1 324.739 3.211 20 5 DGBDMO C[C@@H]1CCC[C@H](C)[N@@H+](Cn2ncc3cc([N+](=O)[O-])ccc32)C1 ZINC000742154488 574841923 /nfs/dbraw/zinc/84/19/23/574841923.db2.gz KIYLIZCTVSXTGJ-OLZOCXBDSA-N 1 1 302.378 3.413 20 5 DGBDMO CC(C)CC[N@@H+](C)Cn1cc(-c2ccc([N+](=O)[O-])cc2)cn1 ZINC000728899260 575192859 /nfs/dbraw/zinc/19/28/59/575192859.db2.gz DTDNGLRZHLUSEU-UHFFFAOYSA-N 1 1 302.378 3.394 20 5 DGBDMO CCO[C@H]1C[C@H]([N@@H+](C)Cc2cc(F)ccc2[N+](=O)[O-])C1(C)C ZINC000740887031 574945001 /nfs/dbraw/zinc/94/50/01/574945001.db2.gz OMUQQLZYYFJLIF-GJZGRUSLSA-N 1 1 310.369 3.369 20 5 DGBDMO CC[C@H](Cc1ccc(C)cc1)[N@@H+](CC)Cn1nccc1[N+](=O)[O-] ZINC000742178568 574983974 /nfs/dbraw/zinc/98/39/74/574983974.db2.gz XCZCIHBRSZNTSV-MRXNPFEDSA-N 1 1 316.405 3.400 20 5 DGBDMO Cn1cc(C(C)(C)[NH2+]Cc2cc([N+](=O)[O-])ccc2Cl)cn1 ZINC000742373672 574993272 /nfs/dbraw/zinc/99/32/72/574993272.db2.gz GRKWAJJGBXIPSI-UHFFFAOYSA-N 1 1 308.769 3.007 20 5 DGBDMO C[C@H]1C[C@@H](Nc2nc3ccc([N+](=O)[O-])cc3s2)CC[N@H+]1C ZINC000742412028 574997575 /nfs/dbraw/zinc/99/75/75/574997575.db2.gz MQOUTGXCWLRTRQ-UWVGGRQHSA-N 1 1 306.391 3.099 20 5 DGBDMO C[C@H]1CCC[N@H+]1CCNc1nc2ccc([N+](=O)[O-])cc2s1 ZINC000742425954 574999313 /nfs/dbraw/zinc/99/93/13/574999313.db2.gz RIEMKQONQYTLNG-JTQLQIEISA-N 1 1 306.391 3.101 20 5 DGBDMO CC[N@H+](CCc1ccccn1)Cc1c(F)cccc1[N+](=O)[O-] ZINC000728916013 575193874 /nfs/dbraw/zinc/19/38/74/575193874.db2.gz OVVSQVBUYPALBJ-UHFFFAOYSA-N 1 1 303.337 3.194 20 5 DGBDMO CC[N@@H+](CCc1ccccn1)Cc1c(F)cccc1[N+](=O)[O-] ZINC000728916013 575193877 /nfs/dbraw/zinc/19/38/77/575193877.db2.gz OVVSQVBUYPALBJ-UHFFFAOYSA-N 1 1 303.337 3.194 20 5 DGBDMO Cc1cccc2c1CC[N@@H+](CCOc1ccc([N+](=O)[O-])cc1)C2 ZINC000729480296 575252628 /nfs/dbraw/zinc/25/26/28/575252628.db2.gz TXUCQYKXAMTUPZ-UHFFFAOYSA-N 1 1 312.369 3.340 20 5 DGBDMO COc1ccc([N+](=O)[O-])cc1C[NH2+]Cc1cnc2ccccc2c1 ZINC000729682133 575260589 /nfs/dbraw/zinc/26/05/89/575260589.db2.gz NNDJCGNMPONIIX-UHFFFAOYSA-N 1 1 323.352 3.441 20 5 DGBDMO Cc1nn(C[N@H+](CCc2ccccc2)C2CC2)c(C)c1[N+](=O)[O-] ZINC000746022846 575427416 /nfs/dbraw/zinc/42/74/16/575427416.db2.gz JASNXQUJLVGEQH-UHFFFAOYSA-N 1 1 314.389 3.073 20 5 DGBDMO Cc1nn(C[N@@H+](CCc2ccccc2)C2CC2)c(C)c1[N+](=O)[O-] ZINC000746022846 575427419 /nfs/dbraw/zinc/42/74/19/575427419.db2.gz JASNXQUJLVGEQH-UHFFFAOYSA-N 1 1 314.389 3.073 20 5 DGBDMO CC[C@@H]1C[N@H+](Cn2cc([N+](=O)[O-])cn2)CC[C@H]1c1ccccc1 ZINC000746382394 575449866 /nfs/dbraw/zinc/44/98/66/575449866.db2.gz MRWCEXAJVGLAGC-RHSMWYFYSA-N 1 1 314.389 3.265 20 5 DGBDMO CC[C@@H]1C[N@@H+](Cn2cc([N+](=O)[O-])cn2)CC[C@H]1c1ccccc1 ZINC000746382394 575449868 /nfs/dbraw/zinc/44/98/68/575449868.db2.gz MRWCEXAJVGLAGC-RHSMWYFYSA-N 1 1 314.389 3.265 20 5 DGBDMO CC[C@H](O)[C@H]1CCCC[N@H+]1Cc1cc(Cl)ccc1[N+](=O)[O-] ZINC000746669481 575468265 /nfs/dbraw/zinc/46/82/65/575468265.db2.gz DJSJUJQCPUALQY-CABCVRRESA-N 1 1 312.797 3.374 20 5 DGBDMO Cc1cc([N+](=O)[O-])ccc1N1CC[NH+](Cc2ccsc2)CC1 ZINC000747203448 575505420 /nfs/dbraw/zinc/50/54/20/575505420.db2.gz HYQFVWZSOOCOLN-UHFFFAOYSA-N 1 1 317.414 3.287 20 5 DGBDMO Cc1cc(N2CC[NH+](C3CCC3)CC2)c(Cl)cc1[N+](=O)[O-] ZINC000747220464 575506684 /nfs/dbraw/zinc/50/66/84/575506684.db2.gz MGPRQDXKFLRNJU-UHFFFAOYSA-N 1 1 309.797 3.231 20 5 DGBDMO Cc1nn(C[N@@H+]2CCC[C@H]2CC(C)C)c2ncc([N+](=O)[O-])cc12 ZINC000749949219 575691169 /nfs/dbraw/zinc/69/11/69/575691169.db2.gz LYCKSEXRWBPDPS-ZDUSSCGKSA-N 1 1 317.393 3.116 20 5 DGBDMO C[C@@H]1C[N@@H+](C[C@H](O)c2cccc([N+](=O)[O-])c2)Cc2ccccc21 ZINC000750037882 575699501 /nfs/dbraw/zinc/69/95/01/575699501.db2.gz SIQFMDRDPJJJNT-ACJLOTCBSA-N 1 1 312.369 3.248 20 5 DGBDMO O=[N+]([O-])c1ccc([C@@H](O)C[N@H+]2CCC[C@@H](C3CCC3)C2)cc1 ZINC000852674152 620639773 /nfs/dbraw/zinc/63/97/73/620639773.db2.gz XWXQDPHORJFCIW-WBVHZDCISA-N 1 1 304.390 3.140 20 5 DGBDMO C[C@@H]([N@@H+](C)Cn1cc([N+](=O)[O-])c(-c2ccccn2)n1)C(C)(C)C ZINC000853489638 620700763 /nfs/dbraw/zinc/70/07/63/620700763.db2.gz GJBDAYCMUAWNOJ-GFCCVEGCSA-N 1 1 317.393 3.177 20 5 DGBDMO CN(CCC[N@@H+](C)Cc1ccco1)c1ccc([N+](=O)[O-])cc1 ZINC000804840348 617699166 /nfs/dbraw/zinc/69/91/66/617699166.db2.gz DPYYTEDKPBNIMC-UHFFFAOYSA-N 1 1 303.362 3.146 20 5 DGBDMO Cc1ccc([N+](=O)[O-])c(N[C@@H]2CC[N@H+](C3CCCCC3)C2)n1 ZINC000853851618 620745353 /nfs/dbraw/zinc/74/53/53/620745353.db2.gz XRAPWKGSSBBRKH-CYBMUJFWSA-N 1 1 304.394 3.117 20 5 DGBDMO CN(CCC[N@@H+](C)Cc1ccco1)c1ccc([N+](=O)[O-])cc1F ZINC000804841623 617708902 /nfs/dbraw/zinc/70/89/02/617708902.db2.gz XFRQALDSHULOIP-UHFFFAOYSA-N 1 1 321.352 3.285 20 5 DGBDMO COc1c(O)ccc(C[N@@H+]([C@@H](C)C(C)C)C2CC2)c1[N+](=O)[O-] ZINC000891438740 617798767 /nfs/dbraw/zinc/79/87/67/617798767.db2.gz SZHIZQPLPWPORY-NSHDSACASA-N 1 1 308.378 3.318 20 5 DGBDMO Cc1ccc([C@H](C)NC[C@]23CCC[C@H]2[NH2+]CC3)cc1[N+](=O)[O-] ZINC000925840731 618643336 /nfs/dbraw/zinc/64/33/36/618643336.db2.gz KOHMXVLSNDQVQX-IAOVAPTHSA-N 1 1 303.406 3.086 20 5 DGBDMO C[N@@H+](CCc1cccc([N+](=O)[O-])c1)Cc1ccc(O)c(F)c1 ZINC000894273424 618748691 /nfs/dbraw/zinc/74/86/91/618748691.db2.gz QFNNNUPEPQNIHB-UHFFFAOYSA-N 1 1 304.321 3.114 20 5 DGBDMO C[C@@H](O)[C@H]([NH2+]Cc1ccc(Cl)cc1[N+](=O)[O-])c1ccccc1 ZINC000895472724 618788994 /nfs/dbraw/zinc/78/89/94/618788994.db2.gz KDFNJWJCVVNFCU-BZNIZROVSA-N 1 1 320.776 3.460 20 5 DGBDMO O=[N+]([O-])c1ccc(C[N@H+]2CC[C@H]([C@H]3CCCO3)C2)cc1Cl ZINC000895845738 618840816 /nfs/dbraw/zinc/84/08/16/618840816.db2.gz IDXYQPULVJVJDI-SWLSCSKDSA-N 1 1 310.781 3.249 20 5 DGBDMO Cc1cc(CO)cc(NC[C@H](C)c2ccccc2[N+](=O)[O-])[nH+]1 ZINC000896793572 618959937 /nfs/dbraw/zinc/95/99/37/618959937.db2.gz MHLJNYNWHYIWTO-NSHDSACASA-N 1 1 301.346 3.006 20 5 DGBDMO C[C@H](C[NH2+][C@H]1CCN(C)C(C)(C)C1)c1ccccc1[N+](=O)[O-] ZINC000897461113 619130378 /nfs/dbraw/zinc/13/03/78/619130378.db2.gz LKLAAONDUYWXBY-KGLIPLIRSA-N 1 1 305.422 3.161 20 5 DGBDMO Cc1cc([N+](=O)[O-])ccc1-c1noc([C@@H]2CCC[N@@H+]2C(C)C)n1 ZINC000923885903 619250039 /nfs/dbraw/zinc/25/00/39/619250039.db2.gz JMEIQMYXSHCMEX-AWEZNQCLSA-N 1 1 316.361 3.499 20 5 DGBDMO COC(=O)c1coc([C@H](C)[NH2+][C@H](C)c2ccc([N+](=O)[O-])cc2)c1 ZINC000903286614 619754442 /nfs/dbraw/zinc/75/44/42/619754442.db2.gz CQJVNPDDUCGNRG-MNOVXSKESA-N 1 1 318.329 3.386 20 5 DGBDMO Cc1c(-c2noc(C[N@H+](C)CC(C)(C)C)n2)cccc1[N+](=O)[O-] ZINC000904085667 619873488 /nfs/dbraw/zinc/87/34/88/619873488.db2.gz BQCBAYIDYVBNBX-UHFFFAOYSA-N 1 1 318.377 3.431 20 5 DGBDMO O=[N+]([O-])c1ccc(C[NH2+]Cc2c(Cl)n[nH]c2C2CC2)cc1 ZINC000921564169 620908681 /nfs/dbraw/zinc/90/86/81/620908681.db2.gz QCWQCZVVFSPZMV-UHFFFAOYSA-N 1 1 306.753 3.139 20 5 DGBDMO C[C@H](C(=O)OCc1cc(F)ccc1[N+](=O)[O-])[NH+]1CCCCCC1 ZINC000114250649 620994924 /nfs/dbraw/zinc/99/49/24/620994924.db2.gz VTBZLVSJYUTPQQ-GFCCVEGCSA-N 1 1 324.352 3.042 20 5 DGBDMO OC[C@]1(O)CCC[N@@H+](Cc2c3ccccc3cc3ccccc32)C1 ZINC000839151824 621334458 /nfs/dbraw/zinc/33/44/58/621334458.db2.gz CUWOCKMSRJCXNJ-NRFANRHFSA-N 1 1 321.420 3.312 20 5 DGBDMO O=[N+]([O-])c1ccc(Cl)cc1C[N@@H+]1CCCC[C@H]1C1(O)CC1 ZINC000839140619 621340112 /nfs/dbraw/zinc/34/01/12/621340112.db2.gz RXKHNQPOFKQMEM-AWEZNQCLSA-N 1 1 310.781 3.128 20 5 DGBDMO C/C=C\C[C@@H]1CCC[N@@H+](C[C@@H](O)c2cccc([N+](=O)[O-])c2)C1 ZINC000860182726 621378674 /nfs/dbraw/zinc/37/86/74/621378674.db2.gz BRJZIUBQKRAVMV-FNGHRWMPSA-N 1 1 304.390 3.306 20 5 DGBDMO O=[N+]([O-])c1ccccc1C[N@H+](C[C@H](O)c1ccccc1)C1CC1 ZINC000117899157 621466140 /nfs/dbraw/zinc/46/61/40/621466140.db2.gz WXWUVPISQMUOMF-SFHVURJKSA-N 1 1 312.369 3.293 20 5 DGBDMO Cc1ccc(N2CC[C@@H](C[N@@H+](C)CC3CC3)C2)c([N+](=O)[O-])c1 ZINC000754060986 621483836 /nfs/dbraw/zinc/48/38/36/621483836.db2.gz HMVWARHBJSCINV-HNNXBMFYSA-N 1 1 303.406 3.071 20 5 DGBDMO CC(C)n1cc([C@H](C)[NH2+]Cc2cc(F)ccc2[N+](=O)[O-])cn1 ZINC000754807275 621534294 /nfs/dbraw/zinc/53/42/94/621534294.db2.gz LTPSHVQBXOILFS-NSHDSACASA-N 1 1 306.341 3.362 20 5 DGBDMO Cc1c(CN2CC[N@H+](C)Cc3ccccc32)cccc1[N+](=O)[O-] ZINC000864010621 621726664 /nfs/dbraw/zinc/72/66/64/621726664.db2.gz HDDBFKULFYILEE-UHFFFAOYSA-N 1 1 311.385 3.355 20 5 DGBDMO C[C@H]1C[N@H+](C2CC2)C[C@H]1Nc1nc2ccc([N+](=O)[O-])cc2s1 ZINC000757797338 621740298 /nfs/dbraw/zinc/74/02/98/621740298.db2.gz VINCTHCUNHZYHP-TVQRCGJNSA-N 1 1 318.402 3.099 20 5 DGBDMO Cc1nn(C[N@@H+]2CCC=C(c3ccccc3)C2)c(C)c1[N+](=O)[O-] ZINC000789538409 625518863 /nfs/dbraw/zinc/51/88/63/625518863.db2.gz BMRUPICJASKEMC-UHFFFAOYSA-N 1 1 312.373 3.155 20 5 DGBDMO Cc1nn(C[N@H+]2CCC=C(c3ccccc3)C2)c(C)c1[N+](=O)[O-] ZINC000789538409 625518867 /nfs/dbraw/zinc/51/88/67/625518867.db2.gz BMRUPICJASKEMC-UHFFFAOYSA-N 1 1 312.373 3.155 20 5 DGBDMO C[C@@H]1CC2(CCC2)C[N@H+]1Cn1ncc2ccc([N+](=O)[O-])cc21 ZINC000762137955 622056489 /nfs/dbraw/zinc/05/64/89/622056489.db2.gz AGXATRWEKUQZMK-GFCCVEGCSA-N 1 1 300.362 3.167 20 5 DGBDMO COc1cccc(NC[C@H]2c3ccccc3C[N@H+]2C)c1[N+](=O)[O-] ZINC000866195107 622063731 /nfs/dbraw/zinc/06/37/31/622063731.db2.gz NELPVZUZFKJYCC-HNNXBMFYSA-N 1 1 313.357 3.202 20 5 DGBDMO COc1cccc(NC[C@H]2c3ccccc3C[N@@H+]2C)c1[N+](=O)[O-] ZINC000866195107 622063733 /nfs/dbraw/zinc/06/37/33/622063733.db2.gz NELPVZUZFKJYCC-HNNXBMFYSA-N 1 1 313.357 3.202 20 5 DGBDMO C[C@H]1C[C@H](N(C)c2ccc3ncccc3c2[N+](=O)[O-])CC[N@H+]1C ZINC000764157280 622182359 /nfs/dbraw/zinc/18/23/59/622182359.db2.gz LZXANJUBMLWYKH-QWHCGFSZSA-N 1 1 314.389 3.062 20 5 DGBDMO Cc1nn(C[N@@H+]2CCC[C@H](C)CC2)c2ccc([N+](=O)[O-])cc12 ZINC000764945140 622234941 /nfs/dbraw/zinc/23/49/41/622234941.db2.gz MZOKAUOUYRHCHK-LBPRGKRZSA-N 1 1 302.378 3.332 20 5 DGBDMO Cc1nn(C[N@H+]2CCC[C@H]2C2CCC2)c2ccc([N+](=O)[O-])cc12 ZINC000764970031 622236725 /nfs/dbraw/zinc/23/67/25/622236725.db2.gz DVOXVLQAOZMNHB-INIZCTEOSA-N 1 1 314.389 3.475 20 5 DGBDMO Cc1nn(C[N@H+]2CCC3(CCCC3)C2)c2ccc([N+](=O)[O-])cc12 ZINC000765038613 622241671 /nfs/dbraw/zinc/24/16/71/622241671.db2.gz MSEKPEVRBYXKKG-UHFFFAOYSA-N 1 1 314.389 3.477 20 5 DGBDMO Cc1[nH+]ccn1CCCCOC(=O)c1cccc([N+](=O)[O-])c1C ZINC000769085360 622497362 /nfs/dbraw/zinc/49/73/62/622497362.db2.gz VEOBXHDGOSKXTD-UHFFFAOYSA-N 1 1 317.345 3.045 20 5 DGBDMO Cc1cc(C)cc(C[N@@H+](C)C[C@H](O)c2ccc([N+](=O)[O-])cc2)c1 ZINC000769845057 622567626 /nfs/dbraw/zinc/56/76/26/622567626.db2.gz DFQVRTIGLUWDDA-SFHVURJKSA-N 1 1 314.385 3.377 20 5 DGBDMO Cc1cc([N+](=O)[O-])cc(Cl)c1N1CC[NH+](C2CCC2)CC1 ZINC000770096129 622601332 /nfs/dbraw/zinc/60/13/32/622601332.db2.gz HJNIPEDUOAORAV-UHFFFAOYSA-N 1 1 309.797 3.231 20 5 DGBDMO C[C@H]([NH2+][C@H]1CCCc2c1cnn2C)c1c(F)cccc1[N+](=O)[O-] ZINC000872020949 622756293 /nfs/dbraw/zinc/75/62/93/622756293.db2.gz LOBCTLSJQUACHE-GWCFXTLKSA-N 1 1 318.352 3.196 20 5 DGBDMO CCC[N@H+]1CC[C@H](CN[C@@H](C)c2c(F)cccc2[N+](=O)[O-])C1 ZINC000872024937 622759085 /nfs/dbraw/zinc/75/90/85/622759085.db2.gz XNBJIKFMHKMESS-QWHCGFSZSA-N 1 1 309.385 3.116 20 5 DGBDMO CCC[N@H+]1CC[C@@H](CN[C@@H](C)c2c(F)cccc2[N+](=O)[O-])C1 ZINC000872024939 622759237 /nfs/dbraw/zinc/75/92/37/622759237.db2.gz XNBJIKFMHKMESS-STQMWFEESA-N 1 1 309.385 3.116 20 5 DGBDMO C[C@@H](NCC[N@@H+](C)C1CCCC1)c1c(F)cccc1[N+](=O)[O-] ZINC000872034982 622765916 /nfs/dbraw/zinc/76/59/16/622765916.db2.gz SYLDOVGNGXPSJM-GFCCVEGCSA-N 1 1 309.385 3.259 20 5 DGBDMO CSc1ccc([N+](=O)[O-])cc1[C@H](C)[NH2+][C@@H](C)c1cnn(C)c1 ZINC000872039112 622768715 /nfs/dbraw/zinc/76/87/15/622768715.db2.gz QNBVKDZZVVPICH-QWRGUYRKSA-N 1 1 320.418 3.462 20 5 DGBDMO Cc1ccsc1[C@H](CO)[NH2+][C@@H](C)c1c(F)cccc1[N+](=O)[O-] ZINC000872048220 622774924 /nfs/dbraw/zinc/77/49/24/622774924.db2.gz HNDGGZYRFICVSK-JQWIXIFHSA-N 1 1 324.377 3.488 20 5 DGBDMO CCOC(C[N@@H+](Cc1ccc([N+](=O)[O-])cc1)C(C)C)OCC ZINC000123921834 622775897 /nfs/dbraw/zinc/77/58/97/622775897.db2.gz WOSCYXKVVWRMDK-UHFFFAOYSA-N 1 1 310.394 3.204 20 5 DGBDMO COCCc1cc[nH+]c(N[C@H](C)c2c(F)cccc2[N+](=O)[O-])c1 ZINC000872069939 622788629 /nfs/dbraw/zinc/78/86/29/622788629.db2.gz AGPJCEGRXFZPMM-LLVKDONJSA-N 1 1 319.336 3.491 20 5 DGBDMO C[C@@H](NC[C@H]1CCCC[N@@H+](C)C1)c1c(F)cccc1[N+](=O)[O-] ZINC000872087885 622798474 /nfs/dbraw/zinc/79/84/74/622798474.db2.gz LQOFNDHOBAAIAR-CHWSQXEVSA-N 1 1 309.385 3.116 20 5 DGBDMO O=[N+]([O-])c1cc2cnn(C[N@H+]3CC[C@@H](C4CC4)C3)c2c(Cl)c1 ZINC000774641135 623169267 /nfs/dbraw/zinc/16/92/67/623169267.db2.gz XYPOBEABBJZBHP-LLVKDONJSA-N 1 1 320.780 3.287 20 5 DGBDMO CC(C)(O)c1ccc(C[NH2+]Cc2ccc([N+](=O)[O-])cc2F)cc1 ZINC000775331484 623255694 /nfs/dbraw/zinc/25/56/94/623255694.db2.gz UZJQPEWGGGJKSM-UHFFFAOYSA-N 1 1 318.348 3.251 20 5 DGBDMO CC(C)[C@@H]1CCC[N@@H+](C[C@@H](O)c2ccc([N+](=O)[O-])cc2)CC1 ZINC000776584295 623443282 /nfs/dbraw/zinc/44/32/82/623443282.db2.gz KJMOSKXPLBIJJO-RHSMWYFYSA-N 1 1 306.406 3.386 20 5 DGBDMO C[C@@H]1C[C@@H]2CCCC[C@@H]2[N@H+]1C[C@H](O)c1ccc([N+](=O)[O-])cc1 ZINC000776587483 623443870 /nfs/dbraw/zinc/44/38/70/623443870.db2.gz IBJNYTJLQMATCB-QCPWZWHMSA-N 1 1 304.390 3.281 20 5 DGBDMO Cc1nn(C[N@@H+]2CCSCC[C@H]2C)c2ccc([N+](=O)[O-])cc12 ZINC000790475878 625658086 /nfs/dbraw/zinc/65/80/86/625658086.db2.gz CGCCLWMXBCNZHF-LLVKDONJSA-N 1 1 320.418 3.038 20 5 DGBDMO CC[N@@H+](CC1CC1)Cn1cc(-c2cccc([N+](=O)[O-])c2)cn1 ZINC000777955511 623589977 /nfs/dbraw/zinc/58/99/77/623589977.db2.gz MVJAKVXSAVCKOM-UHFFFAOYSA-N 1 1 300.362 3.148 20 5 DGBDMO C[C@H]1C[C@H](C[N@@H+](C)Cc2cc([N+](=O)[O-])ccc2Cl)CCO1 ZINC000778994775 623717917 /nfs/dbraw/zinc/71/79/17/623717917.db2.gz KTYOUQUNNOXBDT-NWDGAFQWSA-N 1 1 312.797 3.495 20 5 DGBDMO Cc1ccc([C@@H](C)[NH2+]Cc2ccc(Cl)nn2)cc1[N+](=O)[O-] ZINC000877073693 623784548 /nfs/dbraw/zinc/78/45/48/623784548.db2.gz QMKJKCBMAHCIHO-SNVBAGLBSA-N 1 1 306.753 3.197 20 5 DGBDMO Cc1nn(C[N@H+]2CCC[C@H]2Cc2ccccc2C)cc1[N+](=O)[O-] ZINC000779860903 623823022 /nfs/dbraw/zinc/82/30/22/623823022.db2.gz KOTPDGJZISUVOP-INIZCTEOSA-N 1 1 314.389 3.073 20 5 DGBDMO CO[C@H]1CC[N@@H+](Cc2c(C)ccc([N+](=O)[O-])c2C)CC1(C)C ZINC000877566473 623944895 /nfs/dbraw/zinc/94/48/95/623944895.db2.gz ZEKTWKXQWSNQQG-INIZCTEOSA-N 1 1 306.406 3.459 20 5 DGBDMO O=[N+]([O-])c1ccc(C[NH+]2CCC(CCF)CC2)c([N+](=O)[O-])c1 ZINC000877673586 623986034 /nfs/dbraw/zinc/98/60/34/623986034.db2.gz GEVVAPWLPBHYPQ-UHFFFAOYSA-N 1 1 311.313 3.075 20 5 DGBDMO C/C(=C\c1cccc([N+](=O)[O-])c1)CN1CC[C@@H]2[C@@H](CC[N@@H+]2C)C1 ZINC000877739902 624012797 /nfs/dbraw/zinc/01/27/97/624012797.db2.gz ICUWQCJBQPBBGK-JRIYGVKESA-N 1 1 315.417 3.024 20 5 DGBDMO Cc1csc([C@@H]2CC[N@@H+](Cc3ccc([N+](=O)[O-])cc3)C2)n1 ZINC000877814175 624046412 /nfs/dbraw/zinc/04/64/12/624046412.db2.gz VJFDFHOEVOCURB-CYBMUJFWSA-N 1 1 303.387 3.349 20 5 DGBDMO O=[N+]([O-])c1ccc(Cl)cc1C[NH2+][C@@H](CO)c1ccc(F)cc1 ZINC000782064771 624198274 /nfs/dbraw/zinc/19/82/74/624198274.db2.gz WNYBEUHAMYGFGB-AWEZNQCLSA-N 1 1 324.739 3.211 20 5 DGBDMO C[C@H](O)C[C@H]1CCCC[N@H+]1Cc1ccc([N+](=O)[O-])c(Cl)c1 ZINC000790934578 625717084 /nfs/dbraw/zinc/71/70/84/625717084.db2.gz NBFSWPLNJYQZBP-WCQYABFASA-N 1 1 312.797 3.374 20 5 DGBDMO C[C@@H]1C[N@@H+](Cn2ncc3cc([N+](=O)[O-])ccc32)CC(C)(C)C1 ZINC000784008711 624419445 /nfs/dbraw/zinc/41/94/45/624419445.db2.gz OBSHLUAEBJHJTL-LBPRGKRZSA-N 1 1 302.378 3.270 20 5 DGBDMO C[C@@H](c1ccccc1[N+](=O)[O-])[N@H+]1CCC[C@@H](C2(C)OCCO2)C1 ZINC000784579614 624551527 /nfs/dbraw/zinc/55/15/27/624551527.db2.gz WQWRLAARNBPYSL-UONOGXRCSA-N 1 1 320.389 3.131 20 5 DGBDMO C[C@@H]([NH2+]CC(=O)N1[C@H](C)CCC[C@H]1C)c1ccccc1[N+](=O)[O-] ZINC000880094498 624784881 /nfs/dbraw/zinc/78/48/81/624784881.db2.gz DYJOMZFZPFPDIA-MGPQQGTHSA-N 1 1 319.405 3.035 20 5 DGBDMO O=[N+]([O-])c1ccc(-c2nc(C[N@H+]3CC[C@@H](CF)C3)co2)cc1 ZINC000880297552 624900049 /nfs/dbraw/zinc/90/00/49/624900049.db2.gz PMEDBYJQJJPWBQ-NSHDSACASA-N 1 1 305.309 3.041 20 5 DGBDMO Cc1c(C[N@H+]2CC[C@H](c3nccs3)C2)cccc1[N+](=O)[O-] ZINC000880316159 624912257 /nfs/dbraw/zinc/91/22/57/624912257.db2.gz DQXHDUNICITIJC-ZDUSSCGKSA-N 1 1 303.387 3.349 20 5 DGBDMO O=[N+]([O-])c1ccc(C[N@H+]2CC[C@H](c3nccs3)C2)c(F)c1 ZINC000880316814 624914442 /nfs/dbraw/zinc/91/44/42/624914442.db2.gz HQCZNWSDXSSOCN-NSHDSACASA-N 1 1 307.350 3.180 20 5 DGBDMO O=[N+]([O-])c1ccc(C[N@H+]2CC[C@@H](c3nccs3)C2)c(F)c1 ZINC000880316813 624914657 /nfs/dbraw/zinc/91/46/57/624914657.db2.gz HQCZNWSDXSSOCN-LLVKDONJSA-N 1 1 307.350 3.180 20 5 DGBDMO C[C@H]1c2sccc2CC[N@@H+]1C[C@@H](O)c1cccc([N+](=O)[O-])c1 ZINC000880377122 624943519 /nfs/dbraw/zinc/94/35/19/624943519.db2.gz OQGAJLWRFIQVMF-XHDPSFHLSA-N 1 1 318.398 3.309 20 5 DGBDMO O=[N+]([O-])c1cccc(F)c1C[NH+]1CCC2(CCCCO2)CC1 ZINC000880454621 624959373 /nfs/dbraw/zinc/95/93/73/624959373.db2.gz GZEBDGNRKDRJTN-UHFFFAOYSA-N 1 1 308.353 3.269 20 5 DGBDMO CC[N@@H+](Cc1ccc([N+](=O)[O-])cc1)[C@H](CO)c1ccccc1 ZINC000880459611 624960819 /nfs/dbraw/zinc/96/08/19/624960819.db2.gz IDIMRSXBKFPBIN-QGZVFWFLSA-N 1 1 300.358 3.150 20 5 DGBDMO COc1ccccc1CC[N@@H+](C)Cc1ccc([N+](=O)[O-])c(F)c1 ZINC000788480957 625193525 /nfs/dbraw/zinc/19/35/25/625193525.db2.gz CYTASFRPJDFSSJ-UHFFFAOYSA-N 1 1 318.348 3.417 20 5 DGBDMO C[C@@H](NCC[N@@H+](C)C1CCCCC1)c1ccc(N)c([N+](=O)[O-])c1 ZINC000788562097 625216808 /nfs/dbraw/zinc/21/68/08/625216808.db2.gz FSWDVOZOIMGIOU-CYBMUJFWSA-N 1 1 320.437 3.092 20 5 DGBDMO C[C@@H]([NH2+]CCN(C)C1CCCCC1)c1ccc(N)c([N+](=O)[O-])c1 ZINC000788562097 625216811 /nfs/dbraw/zinc/21/68/11/625216811.db2.gz FSWDVOZOIMGIOU-CYBMUJFWSA-N 1 1 320.437 3.092 20 5 DGBDMO C[C@H](CO)[N@H+](Cc1cc(Cl)ccc1[N+](=O)[O-])CC1CCC1 ZINC000796556853 626061598 /nfs/dbraw/zinc/06/15/98/626061598.db2.gz SDAIHUMYAUUTLL-LLVKDONJSA-N 1 1 312.797 3.231 20 5 DGBDMO C[N@H+]1CC[C@H](NCc2cc([N+](=O)[O-])ccc2Cl)[C@H]2CCC[C@H]21 ZINC000796840410 626088737 /nfs/dbraw/zinc/08/87/37/626088737.db2.gz WWENWQIQBNJRRV-VNQPRFMTSA-N 1 1 323.824 3.211 20 5 DGBDMO O=[N+]([O-])c1cnn(C[N@H+]2[C@@H]3CC[C@H]2C[C@@H](c2ccccc2)C3)c1 ZINC000800866198 626380674 /nfs/dbraw/zinc/38/06/74/626380674.db2.gz AMFIMOGNKSLDAG-MUJYYYPQSA-N 1 1 312.373 3.159 20 5 DGBDMO O=[N+]([O-])c1cnn(C[N@@H+]2[C@@H]3CC[C@H]2C[C@@H](c2ccccc2)C3)c1 ZINC000800866198 626380677 /nfs/dbraw/zinc/38/06/77/626380677.db2.gz AMFIMOGNKSLDAG-MUJYYYPQSA-N 1 1 312.373 3.159 20 5 DGBDMO COCC[N@@H+](Cc1ccc([N+](=O)[O-])c(F)c1)[C@@H]1CC[C@@H](C)C1 ZINC000801548656 626409211 /nfs/dbraw/zinc/40/92/11/626409211.db2.gz KQEMGIRNVVDQDF-TZMCWYRMSA-N 1 1 310.369 3.371 20 5 DGBDMO Cc1c(COC(=O)CC[C@H]2CCCC[N@@H+]2C)cccc1[N+](=O)[O-] ZINC000803856117 626644205 /nfs/dbraw/zinc/64/42/05/626644205.db2.gz OOOWROYLGANKDR-OAHLLOKOSA-N 1 1 320.389 3.211 20 5 DGBDMO CCCC[N@H+]1CCCC[C@H]1CNc1ccc(N)cc1[N+](=O)[O-] ZINC000804399662 626676884 /nfs/dbraw/zinc/67/68/84/626676884.db2.gz BNJSRBMRBVRMSL-AWEZNQCLSA-N 1 1 306.410 3.244 20 5 DGBDMO C[N@@H+](CC1CC1)C[C@H]1CCN(c2cc(Cl)ccc2[N+](=O)[O-])C1 ZINC000804529545 626689875 /nfs/dbraw/zinc/68/98/75/626689875.db2.gz CGYLSJSAUDISRG-CYBMUJFWSA-N 1 1 323.824 3.416 20 5 DGBDMO CCCC[N@@H+](C)C[C@H](C)Nc1cc(OC)cc(F)c1[N+](=O)[O-] ZINC000808178003 626803749 /nfs/dbraw/zinc/80/37/49/626803749.db2.gz ZAQOAFJTLXKYKN-NSHDSACASA-N 1 1 313.373 3.275 20 5 DGBDMO O=[N+]([O-])c1ccc2c(cnn2C[N@H+]2CCC[C@H](C3CC3)C2)c1 ZINC000808230812 626807311 /nfs/dbraw/zinc/80/73/11/626807311.db2.gz QQIJSOGOBDMYLK-ZDUSSCGKSA-N 1 1 300.362 3.024 20 5 DGBDMO Cn1ncc(C[NH2+]Cc2c3ccccc3cc3ccccc32)n1 ZINC000808418374 626822102 /nfs/dbraw/zinc/82/21/02/626822102.db2.gz PMUBMYOPKKPIJL-UHFFFAOYSA-N 1 1 302.381 3.411 20 5 DGBDMO C[N@@H+](Cc1ccc([N+](=O)[O-])c(Cl)c1)C1CCC(CO)CC1 ZINC000809764187 626948577 /nfs/dbraw/zinc/94/85/77/626948577.db2.gz GYKWXPDETVHEPD-UHFFFAOYSA-N 1 1 312.797 3.231 20 5 DGBDMO Cc1c(OC(=O)[C@@]2(F)CC[N@H+](C(C)(C)C)C2)cccc1[N+](=O)[O-] ZINC000810534713 627012820 /nfs/dbraw/zinc/01/28/20/627012820.db2.gz BHZKNFVMGAVHIA-MRXNPFEDSA-N 1 1 324.352 3.021 20 5 DGBDMO C[C@H]([NH2+]Cc1cccnc1[N+](=O)[O-])c1ccc(OC(F)F)cc1 ZINC000886107234 627106683 /nfs/dbraw/zinc/10/66/83/627106683.db2.gz NQHYSBKHPQEIJI-JTQLQIEISA-N 1 1 323.299 3.442 20 5 DGBDMO O=[N+]([O-])c1ncccc1C[N@@H+]1CC[C@H](c2c(F)cccc2F)C1 ZINC000886138121 627110912 /nfs/dbraw/zinc/11/09/12/627110912.db2.gz CANDPWYQUPFULE-NSHDSACASA-N 1 1 319.311 3.258 20 5 DGBDMO O=[N+]([O-])c1ncccc1C[N@H+]1CC[C@H](c2c(F)cccc2F)C1 ZINC000886138121 627110914 /nfs/dbraw/zinc/11/09/14/627110914.db2.gz CANDPWYQUPFULE-NSHDSACASA-N 1 1 319.311 3.258 20 5 DGBDMO Cc1ccccc1[C@@H](CO)[N@H+](C)Cc1ccc(F)cc1[N+](=O)[O-] ZINC000886445189 627149058 /nfs/dbraw/zinc/14/90/58/627149058.db2.gz ZDDQYHDULOFAKT-QGZVFWFLSA-N 1 1 318.348 3.208 20 5 DGBDMO Cc1ccccc1[C@@H](CO)[N@@H+](C)Cc1ccc(F)cc1[N+](=O)[O-] ZINC000886445189 627149061 /nfs/dbraw/zinc/14/90/61/627149061.db2.gz ZDDQYHDULOFAKT-QGZVFWFLSA-N 1 1 318.348 3.208 20 5 DGBDMO O=[N+]([O-])c1ccc(C[N@H+]2CC[C@H]([C@H]3CCCO3)C2)c(Cl)c1 ZINC000886822698 627208501 /nfs/dbraw/zinc/20/85/01/627208501.db2.gz UETOBWBIMFZEGD-SWLSCSKDSA-N 1 1 310.781 3.249 20 5 DGBDMO O=[N+]([O-])c1ccc(C[N@H+]2CC[C@H]([C@@H]3CCCO3)C2)c(Cl)c1 ZINC000886822699 627208588 /nfs/dbraw/zinc/20/85/88/627208588.db2.gz UETOBWBIMFZEGD-WFASDCNBSA-N 1 1 310.781 3.249 20 5 DGBDMO Cc1nn(C[N@@H+]2CCC(F)(F)[C@@H](C)C2)c2cc([N+](=O)[O-])ccc12 ZINC000811779077 627320667 /nfs/dbraw/zinc/32/06/67/627320667.db2.gz FJXOEEIZTKVFHL-JTQLQIEISA-N 1 1 324.331 3.188 20 5 DGBDMO Cc1nn(C[N@H+]2CCC(F)(F)[C@@H](C)C2)c2cc([N+](=O)[O-])ccc12 ZINC000811779077 627320670 /nfs/dbraw/zinc/32/06/70/627320670.db2.gz FJXOEEIZTKVFHL-JTQLQIEISA-N 1 1 324.331 3.188 20 5 DGBDMO CCC(CC)C(=O)O[C@H]1CC[N@H+](Cc2cccc([N+](=O)[O-])c2)C1 ZINC000813172646 627461633 /nfs/dbraw/zinc/46/16/33/627461633.db2.gz PMJVANZMMLUYTI-INIZCTEOSA-N 1 1 320.389 3.149 20 5 DGBDMO CCC(CC)C(=O)O[C@H]1CC[N@@H+](Cc2cccc([N+](=O)[O-])c2)C1 ZINC000813172646 627461635 /nfs/dbraw/zinc/46/16/35/627461635.db2.gz PMJVANZMMLUYTI-INIZCTEOSA-N 1 1 320.389 3.149 20 5 DGBDMO Cc1c([C@H](C)NC[C@]23CCC[C@H]2[NH2+]CC3)cccc1[N+](=O)[O-] ZINC000925842432 627804539 /nfs/dbraw/zinc/80/45/39/627804539.db2.gz JRLZEWFPPXMOLE-IAOVAPTHSA-N 1 1 303.406 3.086 20 5 DGBDMO O=[N+]([O-])c1ccc([C@H](O)C[N@H+]2CC[C@H](C3CCCC3)C2)cc1 ZINC000817283414 627877705 /nfs/dbraw/zinc/87/77/05/627877705.db2.gz VMMKWECNUPLAIK-DOTOQJQBSA-N 1 1 304.390 3.140 20 5 DGBDMO O=[N+]([O-])c1ccc(Cl)c(C[N@H+]2CC[C@H](O)CC23CCC3)c1 ZINC000817291243 627878915 /nfs/dbraw/zinc/87/89/15/627878915.db2.gz MWVZTDDMJZDEHH-ZDUSSCGKSA-N 1 1 310.781 3.128 20 5 DGBDMO O=[N+]([O-])c1ccc(Cl)c(C[N@@H+]2CC[C@H](O)CC23CCC3)c1 ZINC000817291243 627878917 /nfs/dbraw/zinc/87/89/17/627878917.db2.gz MWVZTDDMJZDEHH-ZDUSSCGKSA-N 1 1 310.781 3.128 20 5 DGBDMO O=[N+]([O-])c1cc(F)c(Cl)cc1N1CCC(c2[nH]cc[nH+]2)CC1 ZINC000820645103 628281983 /nfs/dbraw/zinc/28/19/83/628281983.db2.gz OSEOJVYUDJPJAE-UHFFFAOYSA-N 1 1 324.743 3.494 20 5 DGBDMO COc1cc([C@@H](C)[NH2+][C@H](C)c2ccc(C)c([N+](=O)[O-])c2)on1 ZINC000820822751 628300821 /nfs/dbraw/zinc/30/08/21/628300821.db2.gz KKFVOYGHGCBVHS-GHMZBOCLSA-N 1 1 305.334 3.312 20 5 DGBDMO C[N@H+](Cc1c(F)cccc1[N+](=O)[O-])C[C@@](C)(O)c1ccccc1 ZINC000823592133 628578071 /nfs/dbraw/zinc/57/80/71/628578071.db2.gz QFDHIQPWFFTGJV-QGZVFWFLSA-N 1 1 318.348 3.073 20 5 DGBDMO C[N@@H+](Cc1c(F)cccc1[N+](=O)[O-])C[C@@](C)(O)c1ccccc1 ZINC000823592133 628578072 /nfs/dbraw/zinc/57/80/72/628578072.db2.gz QFDHIQPWFFTGJV-QGZVFWFLSA-N 1 1 318.348 3.073 20 5 DGBDMO CC(C)([NH2+]Cc1cc(F)ncc1F)c1ccc([N+](=O)[O-])cc1 ZINC000824172048 628634015 /nfs/dbraw/zinc/63/40/15/628634015.db2.gz KYMMPQYKNRAPKZ-UHFFFAOYSA-N 1 1 307.300 3.293 20 5 DGBDMO C[N@H+](CCc1cccc([N+](=O)[O-])c1)Cc1ccnc(Cl)c1F ZINC000824344721 628653535 /nfs/dbraw/zinc/65/35/35/628653535.db2.gz REKMTDINYNEOAT-UHFFFAOYSA-N 1 1 323.755 3.457 20 5 DGBDMO C[N@@H+](CCc1cccc([N+](=O)[O-])c1)Cc1ccnc(Cl)c1F ZINC000824344721 628653538 /nfs/dbraw/zinc/65/35/38/628653538.db2.gz REKMTDINYNEOAT-UHFFFAOYSA-N 1 1 323.755 3.457 20 5 DGBDMO O=[N+]([O-])c1cc(C[N@@H+]2CCC[C@@H]2[C@H]2CCC[C@@H]2O)ccc1Cl ZINC000824715169 628686581 /nfs/dbraw/zinc/68/65/81/628686581.db2.gz IQWQKUFTQOEYSX-XPKDYRNWSA-N 1 1 324.808 3.374 20 5 DGBDMO O=[N+]([O-])c1ccc([C@@H]2CCC[N@@H+](C[C@@H]3CCC=CO3)C2)cc1 ZINC000824820720 628697621 /nfs/dbraw/zinc/69/76/21/628697621.db2.gz LCKCDYOSKWGMRW-WBVHZDCISA-N 1 1 302.374 3.467 20 5 DGBDMO CC1(C)C[C@H](O)CC[N@@H+](Cc2ccc([N+](=O)[O-])c(Cl)c2)C1 ZINC000825090696 628726375 /nfs/dbraw/zinc/72/63/75/628726375.db2.gz DUEYHTHGSYVTJS-GFCCVEGCSA-N 1 1 312.797 3.231 20 5 DGBDMO O=[N+]([O-])c1ccc(Cl)c(C[N@@H+]2CCC[C@@]3(CCOC3)C2)c1 ZINC000825133660 628731017 /nfs/dbraw/zinc/73/10/17/628731017.db2.gz KDFBKQNOSDRANB-OAHLLOKOSA-N 1 1 310.781 3.251 20 5 DGBDMO O=[N+]([O-])c1ccc(Cl)c(C[N@H+]2CCC[C@@]3(CCOC3)C2)c1 ZINC000825133660 628731025 /nfs/dbraw/zinc/73/10/25/628731025.db2.gz KDFBKQNOSDRANB-OAHLLOKOSA-N 1 1 310.781 3.251 20 5 DGBDMO CC(C)(CN1CCCC1)[NH2+]Cc1ccc([N+](=O)[O-])c(Cl)c1 ZINC000825325989 628749761 /nfs/dbraw/zinc/74/97/61/628749761.db2.gz JDZFMTZXQLAWKT-UHFFFAOYSA-N 1 1 311.813 3.212 20 5 DGBDMO O=[N+]([O-])c1ccc(C[N@H+]2CC[C@@H]3CCCC[C@@H]32)c([N+](=O)[O-])c1 ZINC000829012451 629120469 /nfs/dbraw/zinc/12/04/69/629120469.db2.gz QYPOQLKVKFJTGU-FZMZJTMJSA-N 1 1 305.334 3.268 20 5 DGBDMO CCC(=O)c1ccc(N2CC[NH+]([C@@H](C)CC)CC2)c([N+](=O)[O-])c1 ZINC000829253466 629144646 /nfs/dbraw/zinc/14/46/46/629144646.db2.gz SAGJZDYIEVMBAU-ZDUSSCGKSA-N 1 1 319.405 3.108 20 5 DGBDMO CCC(=O)c1ccc(N(C)[C@H]2CC[N@H+](C(C)C)C2)c([N+](=O)[O-])c1 ZINC000829571871 629170181 /nfs/dbraw/zinc/17/01/81/629170181.db2.gz AEAWRSDMSUAWFA-AWEZNQCLSA-N 1 1 319.405 3.106 20 5 DGBDMO CC(C)(C)C[C@@H]1CC[N@@H+](C[C@H](O)c2cccc([N+](=O)[O-])c2)C1 ZINC000832727633 629508472 /nfs/dbraw/zinc/50/84/72/629508472.db2.gz VKCNPQUZHKZYQG-BBRMVZONSA-N 1 1 306.406 3.386 20 5 DGBDMO CC/C(C)=C/C(=O)O[C@H]1CC[N@H+](Cc2cccc([N+](=O)[O-])c2)C1 ZINC000835457612 629936146 /nfs/dbraw/zinc/93/61/46/629936146.db2.gz KXWRQFKQDWILBI-WQMJKPAKSA-N 1 1 318.373 3.069 20 5 DGBDMO CC/C(C)=C/C(=O)O[C@H]1CC[N@@H+](Cc2cccc([N+](=O)[O-])c2)C1 ZINC000835457612 629936148 /nfs/dbraw/zinc/93/61/48/629936148.db2.gz KXWRQFKQDWILBI-WQMJKPAKSA-N 1 1 318.373 3.069 20 5 DGBDMO CC(C)[N@H+]1CCCC[C@@H]1COC(=O)c1ccccc1[N+](=O)[O-] ZINC000837335711 630242353 /nfs/dbraw/zinc/24/23/53/630242353.db2.gz UCSPFBMHHGOLCP-CYBMUJFWSA-N 1 1 306.362 3.015 20 5 DGBDMO C[C@H]1C[C@@H](CN(C)Cc2cc([N+](=O)[O-])ccc2Cl)CC[NH2+]1 ZINC000841004688 630394196 /nfs/dbraw/zinc/39/41/96/630394196.db2.gz XCUPITPEQFECIZ-RYUDHWBXSA-N 1 1 311.813 3.068 20 5 DGBDMO NC[C@@H]([NH2+]Cc1ccc([N+](=O)[O-])c(Cl)c1)C1CCCCC1 ZINC000841039467 630400487 /nfs/dbraw/zinc/40/04/87/630400487.db2.gz QCGQIMCENNAQNV-CQSZACIVSA-N 1 1 311.813 3.245 20 5 DGBDMO Cc1c(C(=O)OC[C@@H]2CCC[N@H+](C(C)C)C2)cccc1[N+](=O)[O-] ZINC000842835076 630582789 /nfs/dbraw/zinc/58/27/89/630582789.db2.gz VDLMEVYEYBYSCH-CQSZACIVSA-N 1 1 320.389 3.180 20 5 DGBDMO C[N@@H+](CCc1ccccc1[N+](=O)[O-])Cc1cnc(Cl)c(F)c1 ZINC000846899822 631346189 /nfs/dbraw/zinc/34/61/89/631346189.db2.gz IDWKXCAKDWZDER-UHFFFAOYSA-N 1 1 323.755 3.457 20 5 DGBDMO Cc1ccnc([C@H]2CC[N@@H+](Cc3cc(F)ccc3[N+](=O)[O-])C2)c1 ZINC000846970899 631369617 /nfs/dbraw/zinc/36/96/17/631369617.db2.gz BMXMYHUYJYCWGO-ZDUSSCGKSA-N 1 1 315.348 3.427 20 5 DGBDMO O=[N+]([O-])c1ccc(C[N@@H+]2CCC[C@@H](OC3CCC3)C2)cc1F ZINC000847035276 631387381 /nfs/dbraw/zinc/38/73/81/631387381.db2.gz CTMHHWOWRZZLNW-CQSZACIVSA-N 1 1 308.353 3.267 20 5 DGBDMO O=[N+]([O-])c1ccc(C[N@H+]2CCC[C@@H](OC3CCC3)C2)cc1F ZINC000847035276 631387385 /nfs/dbraw/zinc/38/73/85/631387385.db2.gz CTMHHWOWRZZLNW-CQSZACIVSA-N 1 1 308.353 3.267 20 5 DGBDMO CC[N@@H+](CC1CC1)Cn1cc(-c2ccccc2[N+](=O)[O-])cn1 ZINC000848478839 631667243 /nfs/dbraw/zinc/66/72/43/631667243.db2.gz UXJHVPRUCLDYIX-UHFFFAOYSA-N 1 1 300.362 3.148 20 5 DGBDMO C[C@@H]1C[C@@H](C)[N@@H+](Cn2cc(-c3ccccc3[N+](=O)[O-])cn2)C1 ZINC000848479431 631667793 /nfs/dbraw/zinc/66/77/93/631667793.db2.gz AFXAJJQLLNIETH-CHWSQXEVSA-N 1 1 300.362 3.146 20 5 DGBDMO O=[N+]([O-])c1ccc([C@H](O)C[N@H+]2CC[C@@H]2c2ccc(F)cc2)cc1 ZINC000849328099 631892620 /nfs/dbraw/zinc/89/26/20/631892620.db2.gz ZRFHJOCVCVDRAN-IAGOWNOFSA-N 1 1 316.332 3.214 20 5 DGBDMO O=[N+]([O-])c1ccc(C[NH2+][C@@H]2C[C@H](O)c3ccccc32)c(F)c1 ZINC000850372341 632129814 /nfs/dbraw/zinc/12/98/14/632129814.db2.gz TUPOGWGCUZMZDE-CVEARBPZSA-N 1 1 302.305 3.002 20 5 DGBDMO Cc1noc(C[N@@H+]2CC[C@H](c3c(F)cccc3F)C2)c1[N+](=O)[O-] ZINC000851944309 632526996 /nfs/dbraw/zinc/52/69/96/632526996.db2.gz LBCYMLNINOBTEV-JTQLQIEISA-N 1 1 323.299 3.159 20 5 DGBDMO Cc1noc(C[N@H+]2CC[C@H](c3c(F)cccc3F)C2)c1[N+](=O)[O-] ZINC000851944309 632527000 /nfs/dbraw/zinc/52/70/00/632527000.db2.gz LBCYMLNINOBTEV-JTQLQIEISA-N 1 1 323.299 3.159 20 5 DGBDMO C[N@H+]1CC[C@@]2(C1)CCCN(Cc1ccc(Cl)c([N+](=O)[O-])c1)C2 ZINC000852106272 632555945 /nfs/dbraw/zinc/55/59/45/632555945.db2.gz VXIAYDNXIOLYJS-MRXNPFEDSA-N 1 1 323.824 3.166 20 5 DGBDMO C[N@H+]1CC[C@]2(C1)CCCN(Cc1cc(Cl)ccc1[N+](=O)[O-])C2 ZINC000852108812 632556102 /nfs/dbraw/zinc/55/61/02/632556102.db2.gz NGEXYPACTIZBHW-INIZCTEOSA-N 1 1 323.824 3.166 20 5 DGBDMO Cc1cc([N+](=O)[O-])ccc1NC(=O)C[N@H+]1CCC2(CCCC2)C1 ZINC000173820086 659402649 /nfs/dbraw/zinc/40/26/49/659402649.db2.gz JQMPNJKXAPWJNP-UHFFFAOYSA-N 1 1 317.389 3.108 20 5 DGBDMO Cc1cc([C@@H](C)[NH2+]Cc2cc([N+](=O)[O-])ccc2Cl)n(C)n1 ZINC000793551531 661044935 /nfs/dbraw/zinc/04/49/35/661044935.db2.gz UNXWCHROZLRVPT-SNVBAGLBSA-N 1 1 308.769 3.141 20 5 DGBDMO CCCC[N@@H+](Cn1c(=O)oc2cccc([N+](=O)[O-])c21)[C@H](C)CC ZINC000794621057 661094639 /nfs/dbraw/zinc/09/46/39/661094639.db2.gz ROZAZZLDLFCWGN-GFCCVEGCSA-N 1 1 321.377 3.361 20 5 DGBDMO O=[N+]([O-])c1ccc2c(cnn2C[N@@H+](CC2CC2)CC2CCC2)c1 ZINC000794715806 661101246 /nfs/dbraw/zinc/10/12/46/661101246.db2.gz XYTPGDQQSIIRHB-UHFFFAOYSA-N 1 1 314.389 3.414 20 5 DGBDMO CC1=C(C)C[N@@H+](Cn2cc(-c3cccc([N+](=O)[O-])c3)cn2)CC1 ZINC000794890427 661111615 /nfs/dbraw/zinc/11/16/15/661111615.db2.gz SSLPDLNRFHGBGN-UHFFFAOYSA-N 1 1 312.373 3.458 20 5 DGBDMO O=[N+]([O-])c1cnn(C[N@H+]2C[C@H](c3ccccc3)[C@@H]3CCC[C@@H]32)c1 ZINC000795686691 661168010 /nfs/dbraw/zinc/16/80/10/661168010.db2.gz HXXFMOFEQSQCAF-BBWFWOEESA-N 1 1 312.373 3.017 20 5 DGBDMO O=[N+]([O-])c1cccc2c1CC[N@H+](CC[C@@H](O)c1ccccc1)C2 ZINC000795972595 661182607 /nfs/dbraw/zinc/18/26/07/661182607.db2.gz QAWBYBJOEKRVIY-GOSISDBHSA-N 1 1 312.369 3.077 20 5 DGBDMO O=[N+]([O-])c1ccc(C[N@H+]2CC[C@@H](Cc3nccs3)C2)cc1F ZINC000934334531 655768571 /nfs/dbraw/zinc/76/85/71/655768571.db2.gz WOOSGGKSNWBNPB-LBPRGKRZSA-N 1 1 321.377 3.255 20 5 DGBDMO O=[N+]([O-])c1ccc(C[N@H+]2CC[C@H](Cc3nccs3)C2)cc1F ZINC000934334528 655768606 /nfs/dbraw/zinc/76/86/06/655768606.db2.gz WOOSGGKSNWBNPB-GFCCVEGCSA-N 1 1 321.377 3.255 20 5 DGBDMO CC[N@H+]1CC[C@H]2CC[C@@H](C1)N2Cc1cc([N+](=O)[O-])ccc1Cl ZINC000177308657 655920919 /nfs/dbraw/zinc/92/09/19/655920919.db2.gz BYXQAKVXEHOAQM-HIFRSBDPSA-N 1 1 323.824 3.307 20 5 DGBDMO Cc1nn(C[N@H+]2CCC[C@@H]2C2CCCCC2)c(C)c1[N+](=O)[O-] ZINC000054549811 658488311 /nfs/dbraw/zinc/48/83/11/658488311.db2.gz PHYYRBAYPJHABP-OAHLLOKOSA-N 1 1 306.410 3.410 20 5 DGBDMO CC[N@@H+](Cn1cc([N+](=O)[O-])c(-c2ccncc2)n1)C1CCCC1 ZINC000172895972 659362828 /nfs/dbraw/zinc/36/28/28/659362828.db2.gz GQVRJJIDVGBXEY-UHFFFAOYSA-N 1 1 315.377 3.075 20 5 DGBDMO CC[N@H+](Cc1cccc([N+](=O)[O-])c1)C[C@H](O)c1ccc(C)cc1 ZINC000174726209 659541451 /nfs/dbraw/zinc/54/14/51/659541451.db2.gz GVSICBALQXOIFR-SFHVURJKSA-N 1 1 314.385 3.459 20 5 DGBDMO Cc1nn(C[N@@H+]2CC[C@@H](c3ccccc3)[C@@H]2C)c(C)c1[N+](=O)[O-] ZINC000175265003 659918225 /nfs/dbraw/zinc/91/82/25/659918225.db2.gz AWZMGEZSJOTCDN-XJKSGUPXSA-N 1 1 314.389 3.244 20 5 DGBDMO COc1ccc(C[NH2+][C@@H](C)c2nc(C)cs2)cc1[N+](=O)[O-] ZINC000070943206 660100782 /nfs/dbraw/zinc/10/07/82/660100782.db2.gz JGXRXFJURSRERU-JTQLQIEISA-N 1 1 307.375 3.219 20 5 DGBDMO COC(=O)c1ccc([C@H](C)[NH2+][C@H](C)c2ccc([N+](=O)[O-])cc2)o1 ZINC000932181348 661545139 /nfs/dbraw/zinc/54/51/39/661545139.db2.gz PDIRNTXNWAGSBH-MNOVXSKESA-N 1 1 318.329 3.386 20 5 DGBDMO O=[N+]([O-])c1ccc(F)cc1C[NH2+][C@H](c1ccccn1)C1CC1 ZINC000932381439 661564541 /nfs/dbraw/zinc/56/45/41/661564541.db2.gz YADDEEDPDGBYLM-INIZCTEOSA-N 1 1 301.321 3.370 20 5 DGBDMO O=[N+]([O-])c1ccc(C[N@H+]2CCC[C@@H](C3CCOCC3)C2)cc1F ZINC000933081201 661616702 /nfs/dbraw/zinc/61/67/02/661616702.db2.gz KEMCHHMBMMZAOH-OAHLLOKOSA-N 1 1 322.380 3.373 20 5 DGBDMO COc1cc(C[N@@H+]2CCCSC[C@@H]2C)c([N+](=O)[O-])cc1F ZINC000934298896 661694821 /nfs/dbraw/zinc/69/48/21/661694821.db2.gz RBXRPDNUAFLPOP-JTQLQIEISA-N 1 1 314.382 3.070 20 5 DGBDMO COc1cc(C[N@H+]2CCCSC[C@@H]2C)c([N+](=O)[O-])cc1F ZINC000934298896 661694822 /nfs/dbraw/zinc/69/48/22/661694822.db2.gz RBXRPDNUAFLPOP-JTQLQIEISA-N 1 1 314.382 3.070 20 5 DGBDMO O=[N+]([O-])c1ccc(F)cc1C[N@H+]1CC[C@@H](Cc2nccs2)C1 ZINC000934335730 661698650 /nfs/dbraw/zinc/69/86/50/661698650.db2.gz UTBNBIAKTLZSIT-NSHDSACASA-N 1 1 321.377 3.255 20 5 DGBDMO O=[N+]([O-])c1ccc(F)cc1C[N@H+]1CC[C@H](Cc2nccs2)C1 ZINC000934335729 661698733 /nfs/dbraw/zinc/69/87/33/661698733.db2.gz UTBNBIAKTLZSIT-LLVKDONJSA-N 1 1 321.377 3.255 20 5 DGBDMO Cc1nn(C[NH+]2CCC(c3ccccc3)CC2)c(C)c1[N+](=O)[O-] ZINC000078793298 662085342 /nfs/dbraw/zinc/08/53/42/662085342.db2.gz PZLLXHHPEWXROO-UHFFFAOYSA-N 1 1 314.389 3.245 20 5 DGBDMO [NH3+]C[C@@H]1CCCC12CCN(Cc1ccc([N+](=O)[O-])cc1F)CC2 ZINC001580260347 1192017313 /nfs/dbraw/zinc/01/73/13/1192017313.db2.gz OBWHSHHVNMRAKT-AWEZNQCLSA-N 1 1 321.396 3.075 20 5 DGBDMO CC(C)c1ccc(CN[C@@H]2C[N@@H+](C3CC3)C[C@@H]2C)cc1[N+](=O)[O-] ZINC001620850907 1192454904 /nfs/dbraw/zinc/45/49/04/1192454904.db2.gz ROMKXBFTTMWCIE-SUMWQHHRSA-N 1 1 317.433 3.291 20 5 DGBDMO CC(C)c1ccc(CN[C@@H]2C[N@H+](C3CC3)C[C@@H]2C)cc1[N+](=O)[O-] ZINC001620850907 1192454908 /nfs/dbraw/zinc/45/49/08/1192454908.db2.gz ROMKXBFTTMWCIE-SUMWQHHRSA-N 1 1 317.433 3.291 20 5 DGBDMO CCC[N@H+]1CC[C@H](CNc2ncc([N+](=O)[O-])c3ccccc32)C1 ZINC001332198361 1178387794 /nfs/dbraw/zinc/38/77/94/1178387794.db2.gz WDCJWYFOIJZDQC-CYBMUJFWSA-N 1 1 314.389 3.287 20 5 DGBDMO COc1nccc(C[NH2+][C@@H](C)c2ccc(C)c([N+](=O)[O-])c2)c1F ZINC001333693499 1178654875 /nfs/dbraw/zinc/65/48/75/1178654875.db2.gz KHILDOAUDCYMSC-NSHDSACASA-N 1 1 319.336 3.297 20 5 DGBDMO O=[N+]([O-])c1ccc2c(c1)CN([C@@H]1CC[N@@H+](Cc3ccccc3)C1)C2 ZINC001344558805 1179450529 /nfs/dbraw/zinc/45/05/29/1179450529.db2.gz VJWNVKRTDYPYOQ-LJQANCHMSA-N 1 1 323.396 3.185 20 5 DGBDMO COC[C@H](C[N@@H+](Cc1ccccc1[N+](=O)[O-])C1CC1)C(C)C ZINC001459794718 1182616822 /nfs/dbraw/zinc/61/68/22/1182616822.db2.gz FXNDMMPQHDJIGG-HNNXBMFYSA-N 1 1 306.406 3.478 20 5 DGBDMO COc1ccc([N+](=O)[O-])cc1C[NH2+]Cc1nccc2ccccc21 ZINC001461377736 1182802662 /nfs/dbraw/zinc/80/26/62/1182802662.db2.gz NJVOWNQNNXBNJU-UHFFFAOYSA-N 1 1 323.352 3.441 20 5 DGBDMO Cc1ccc(C[NH2+]Cc2nc3cc([N+](=O)[O-])ccc3o2)cc1F ZINC001462605486 1182975245 /nfs/dbraw/zinc/97/52/45/1182975245.db2.gz PULKFMTZTMBLDP-UHFFFAOYSA-N 1 1 315.304 3.473 20 5 DGBDMO CO[C@@]1(C)C[C@H]([N@@H+](C)Cc2ccc(F)cc2[N+](=O)[O-])C1(C)C ZINC001653448877 1195722890 /nfs/dbraw/zinc/72/28/90/1195722890.db2.gz FZOGXZJKECLUTO-HOCLYGCPSA-N 1 1 310.369 3.369 20 5 DGBDMO CC[N@H+]1CCC[C@@H](CNc2ncc([N+](=O)[O-])c3ccccc32)C1 ZINC001472673091 1183664756 /nfs/dbraw/zinc/66/47/56/1183664756.db2.gz AWDCZAVMULAREA-ZDUSSCGKSA-N 1 1 314.389 3.287 20 5 DGBDMO Cc1ncc([N+](=O)[O-])n1CC[N@@H+](Cc1ccccc1)CC(C)C ZINC001473129342 1183718590 /nfs/dbraw/zinc/71/85/90/1183718590.db2.gz AWVHOXXXXIJEMM-UHFFFAOYSA-N 1 1 316.405 3.258 20 5 DGBDMO CCOc1cc(C[N@@H+]2CC(C)(C)OC[C@@H]2CC)ccc1[N+](=O)[O-] ZINC001473618485 1183782916 /nfs/dbraw/zinc/78/29/16/1183782916.db2.gz SKQRQRSFTVJBSR-AWEZNQCLSA-N 1 1 322.405 3.383 20 5 DGBDMO CCOc1cc(C[N@H+]2CC(C)(C)OC[C@@H]2CC)ccc1[N+](=O)[O-] ZINC001473618485 1183782919 /nfs/dbraw/zinc/78/29/19/1183782919.db2.gz SKQRQRSFTVJBSR-AWEZNQCLSA-N 1 1 322.405 3.383 20 5 DGBDMO COc1ccc(CNc2nc3cc(C)ccc3[nH]2)cc1[N+](=O)[O-] ZINC001474248088 1183889385 /nfs/dbraw/zinc/88/93/85/1183889385.db2.gz GYCHGXZYDCEBRZ-UHFFFAOYSA-N 1 1 312.329 3.400 20 5 DGBDMO COc1ccc(CNc2[nH]c3ccc(C)cc3[nH+]2)cc1[N+](=O)[O-] ZINC001474248088 1183889386 /nfs/dbraw/zinc/88/93/86/1183889386.db2.gz GYCHGXZYDCEBRZ-UHFFFAOYSA-N 1 1 312.329 3.400 20 5 DGBDMO C[C@@H]1[C@@H](Nc2ccc([N+](=O)[O-])c(-c3ccccc3)n2)CC[N@H+]1C ZINC001612939771 1193464700 /nfs/dbraw/zinc/46/47/00/1193464700.db2.gz SXDAQWMOJPJZJS-OCCSQVGLSA-N 1 1 312.373 3.161 20 5 DGBDMO CC[N@@H+](C)[C@@H]1CCN(c2cccc(C(F)(F)F)c2[N+](=O)[O-])C1 ZINC001613088030 1193467645 /nfs/dbraw/zinc/46/76/45/1193467645.db2.gz MSYFOWGSUBPQKC-SNVBAGLBSA-N 1 1 317.311 3.144 20 5 DGBDMO CCC[N@@H+](CC)C[C@@H](C)Nc1c2ccccc2ncc1[N+](=O)[O-] ZINC001559202333 1189180620 /nfs/dbraw/zinc/18/06/20/1189180620.db2.gz CSSIIGVUZQWLOS-CYBMUJFWSA-N 1 1 316.405 3.097 20 5 DGBDMO O=[N+]([O-])c1cnc2ccc(F)cc2c1Nc1ccc2[nH+]ccn2c1 ZINC001559243064 1189185353 /nfs/dbraw/zinc/18/53/53/1189185353.db2.gz PJMQWGMNIHEKAW-UHFFFAOYSA-N 1 1 323.287 3.095 20 5 DGBDMO Cc1cc(N2CC[N@H+](C)[C@H](C(C)(C)C)C2)c(F)cc1[N+](=O)[O-] ZINC001559266597 1189189798 /nfs/dbraw/zinc/18/97/98/1189189798.db2.gz HGQFCYDQQWAAIG-HNNXBMFYSA-N 1 1 309.385 3.209 20 5 DGBDMO COC[C@@H]([NH2+]Cc1ccc(F)cc1[N+](=O)[O-])c1ccc(F)cc1 ZINC001559686694 1189230869 /nfs/dbraw/zinc/23/08/69/1189230869.db2.gz LJEVORQEPRKRSG-OAHLLOKOSA-N 1 1 322.311 3.350 20 5 DGBDMO C[N@@H+](CCOc1cccc([N+](=O)[O-])c1)C1CC(OC(C)(C)C)C1 ZINC001559920388 1189256481 /nfs/dbraw/zinc/25/64/81/1189256481.db2.gz IOMWLGCVLAELFE-UHFFFAOYSA-N 1 1 322.405 3.252 20 5 DGBDMO O=[N+]([O-])c1ccc(CC[N@@H+]2CCS[C@@H](C(F)(F)F)C2)cc1 ZINC001560147294 1189284625 /nfs/dbraw/zinc/28/46/25/1189284625.db2.gz MNJZJFIISCJSCH-GFCCVEGCSA-N 1 1 320.336 3.117 20 5 DGBDMO O=[N+]([O-])c1ccc(CC[N@H+]2CCS[C@@H](C(F)(F)F)C2)cc1 ZINC001560147294 1189284627 /nfs/dbraw/zinc/28/46/27/1189284627.db2.gz MNJZJFIISCJSCH-GFCCVEGCSA-N 1 1 320.336 3.117 20 5 DGBDMO C[C@H]([NH2+]Cc1cc(-c2ccccn2)n[nH]1)c1ccccc1[N+](=O)[O-] ZINC001560578598 1189344003 /nfs/dbraw/zinc/34/40/03/1189344003.db2.gz ZLWINCJYVJEFGO-LBPRGKRZSA-N 1 1 323.356 3.231 20 5 DGBDMO C[C@@H]1CN(Cc2csc([N+](=O)[O-])c2)CC[N@H+]1C1CCCC1 ZINC001620583876 1193780809 /nfs/dbraw/zinc/78/08/09/1193780809.db2.gz ZHFVYQKQZCUEEH-GFCCVEGCSA-N 1 1 309.435 3.105 20 5 DGBDMO COc1ccc([N+](=O)[O-])cc1C[N@H+]1CCCC[C@@H]1[C@@H]1CCCO1 ZINC001620669712 1193789804 /nfs/dbraw/zinc/78/98/04/1193789804.db2.gz YECGLULGISIUOH-WBVHZDCISA-N 1 1 320.389 3.137 20 5 DGBDMO Cc1ccc([N+](=O)[O-])c(C)c1NC(=O)[C@@H]1CCC[N@H+](C(C)C)C1 ZINC001629073281 1194212609 /nfs/dbraw/zinc/21/26/09/1194212609.db2.gz SFTAAEJGKUXVTE-CQSZACIVSA-N 1 1 319.405 3.271 20 5 DGBDMO CCO[C@@H]1C[C@@H]([N@@H+](C)Cc2cccnc2[N+](=O)[O-])C1(CC)CC ZINC001642126749 1194889497 /nfs/dbraw/zinc/88/94/97/1194889497.db2.gz INUUGEASNGZOMQ-HUUCEWRRSA-N 1 1 321.421 3.405 20 5 DGBDMO C[C@H](c1ccccc1)[N@@H+](CCO)Cc1ccccc1[N+](=O)[O-] ZINC001642329032 1194902640 /nfs/dbraw/zinc/90/26/40/1194902640.db2.gz LVLMSAAOXLPNBQ-CQSZACIVSA-N 1 1 300.358 3.150 20 5 DGBDMO COCC[N@@H+](CCOc1ccc([N+](=O)[O-])cc1)[C@@H]1CC[C@H](C)C1 ZINC001642938578 1194955944 /nfs/dbraw/zinc/95/59/44/1194955944.db2.gz YTPLIFGKZAYQLT-GOEBONIOSA-N 1 1 322.405 3.111 20 5 DGBDMO CC1(C)CCC(C)(C)[N@H+](CC(=O)Nc2ccccc2[N+](=O)[O-])C1 ZINC001643889972 1195061299 /nfs/dbraw/zinc/06/12/99/1195061299.db2.gz UNIWBAGKTDYASG-UHFFFAOYSA-N 1 1 319.405 3.434 20 5 DGBDMO CC1(C)CCC(C)(C)[N@@H+](CC(=O)Nc2ccccc2[N+](=O)[O-])C1 ZINC001643889972 1195061300 /nfs/dbraw/zinc/06/13/00/1195061300.db2.gz UNIWBAGKTDYASG-UHFFFAOYSA-N 1 1 319.405 3.434 20 5 DGBDMO O=[N+]([O-])c1ccc(CC[N@@H+]2CCCC[C@H]2c2ncccn2)cc1 ZINC001644366086 1195103962 /nfs/dbraw/zinc/10/39/62/1195103962.db2.gz VIZIKGYHMANWIB-INIZCTEOSA-N 1 1 312.373 3.155 20 5 DGBDMO O=[N+]([O-])c1ccc(CC[N@H+]2CCCC[C@H]2c2ncccn2)cc1 ZINC001644366086 1195103965 /nfs/dbraw/zinc/10/39/65/1195103965.db2.gz VIZIKGYHMANWIB-INIZCTEOSA-N 1 1 312.373 3.155 20 5 DGBDMO Cc1ccc([N+](=O)[O-])cc1[C@H](C)[N@@H+]1Cc2c[nH]nc2C[C@@H](C)C1 ZINC001644507477 1195114014 /nfs/dbraw/zinc/11/40/14/1195114014.db2.gz IKLFQOGSKORTQV-YPMHNXCESA-N 1 1 314.389 3.382 20 5 DGBDMO COc1ccc(C[NH2+][C@@H](C)c2ncccc2C)cc1[N+](=O)[O-] ZINC001648602072 1195312575 /nfs/dbraw/zinc/31/25/75/1195312575.db2.gz WAZKDXXGCTUDSI-LBPRGKRZSA-N 1 1 301.346 3.158 20 5 DGBDMO C[C@@H]1CCC[C@@H]([N@@H+](C)CCC(=O)Nc2ccc([N+](=O)[O-])cc2)C1 ZINC001652364614 1195588305 /nfs/dbraw/zinc/58/83/05/1195588305.db2.gz SKHQVWVQGPNAHW-CZUORRHYSA-N 1 1 319.405 3.434 20 5 DGBDMO CCC[N@H+](Cc1cccc([N+](=O)[O-])c1C)[C@H](CC)C(=O)OCC ZINC001653276648 1195707141 /nfs/dbraw/zinc/70/71/41/1195707141.db2.gz NSZHFKKCPUHNOQ-OAHLLOKOSA-N 1 1 322.405 3.457 20 5 DGBDMO CCC[N@@H+](Cc1cccc([N+](=O)[O-])c1C)[C@H](CC)C(=O)OCC ZINC001653276648 1195707144 /nfs/dbraw/zinc/70/71/44/1195707144.db2.gz NSZHFKKCPUHNOQ-OAHLLOKOSA-N 1 1 322.405 3.457 20 5 DGBDMO CO[C@@]1(C)C[C@H]([N@@H+](C)CCc2ccc([N+](=O)[O-])cc2)C1(C)C ZINC001653449932 1195723370 /nfs/dbraw/zinc/72/33/70/1195723370.db2.gz PBRVJOCFECUASF-RDJZCZTQSA-N 1 1 306.406 3.273 20 5 DGBDMO CC[C@@H]1CC[N@@H+]([C@@H](C)C(=O)Nc2cccc([N+](=O)[O-])c2C)[C@@H]1C ZINC001654219234 1195785070 /nfs/dbraw/zinc/78/50/70/1195785070.db2.gz UFDKRVVQFIWLEW-HZSPNIEDSA-N 1 1 319.405 3.351 20 5 DGBDMO CC[C@@H]1CC[N@@H+]([C@@H](C)C(=O)Nc2cccc([N+](=O)[O-])c2C)[C@H]1C ZINC001654219235 1195785704 /nfs/dbraw/zinc/78/57/04/1195785704.db2.gz UFDKRVVQFIWLEW-MELADBBJSA-N 1 1 319.405 3.351 20 5 DGBDMO C[N@@H+](CCc1ccccc1[N+](=O)[O-])C[C@H]1CCC2(CCC2)CO1 ZINC001654425363 1195802215 /nfs/dbraw/zinc/80/22/15/1195802215.db2.gz RRMBJKPCZFJIRI-MRXNPFEDSA-N 1 1 318.417 3.418 20 5 DGBDMO Cc1ncc([N+](=O)[O-])n1CC[N@H+]1CC[C@@H](C2CCCCC2)C1 ZINC001654987877 1195861763 /nfs/dbraw/zinc/86/17/63/1195861763.db2.gz VXDDHIKDIYOZQT-OAHLLOKOSA-N 1 1 306.410 3.002 20 5 DGBDMO Cc1c(CN[C@@H](C)C[N@H+]2CCC[C@H](C)C2)cccc1[N+](=O)[O-] ZINC001655415819 1195914029 /nfs/dbraw/zinc/91/40/29/1195914029.db2.gz ALOBKXZFHWHPAH-KBPBESRZSA-N 1 1 305.422 3.113 20 5 DGBDMO Cc1c(C[NH2+][C@@H](C)CN2CCC[C@H](C)C2)cccc1[N+](=O)[O-] ZINC001655415819 1195914031 /nfs/dbraw/zinc/91/40/31/1195914031.db2.gz ALOBKXZFHWHPAH-KBPBESRZSA-N 1 1 305.422 3.113 20 5 DGBDMO C[C@@]12CSC[C@@H]1C[N@@H+](Cc1ccc([N+](=O)[O-])cc1Cl)C2 ZINC001655810986 1195966038 /nfs/dbraw/zinc/96/60/38/1195966038.db2.gz DNDBESXCYLODJU-SMDDNHRTSA-N 1 1 312.822 3.433 20 5 DGBDMO C[C@H]1CN(c2ncc([N+](=O)[O-])cc2Cl)CC[N@H+]1C1CCCC1 ZINC001655856864 1195969360 /nfs/dbraw/zinc/96/93/60/1195969360.db2.gz XKBNVFNKFCDQCP-NSHDSACASA-N 1 1 324.812 3.096 20 5 DGBDMO O=[N+]([O-])c1cccc(OCC[N@H+]2CCCSC[C@@H]2C2CC2)c1 ZINC001656314710 1196029309 /nfs/dbraw/zinc/02/93/09/1196029309.db2.gz FPUHASJYIZBMDP-MRXNPFEDSA-N 1 1 322.430 3.191 20 5 DGBDMO CC(C)C[C@@H](C[NH+]1CCCC1)NCc1cccc([N+](=O)[O-])c1 ZINC001657413787 1196138817 /nfs/dbraw/zinc/13/88/17/1196138817.db2.gz VQXOTRULTQRHSZ-INIZCTEOSA-N 1 1 305.422 3.195 20 5 DGBDMO Cc1ccc([N+](=O)[O-])c(C)c1C[N@H+]1CC[C@@]2(C1)CCC[NH+](C)C2 ZINC001658192967 1196223450 /nfs/dbraw/zinc/22/34/50/1196223450.db2.gz IATYEFVNZRNPGI-SFHVURJKSA-N 1 1 317.433 3.129 20 5 DGBDMO Cc1ccc([N+](=O)[O-])c(C)c1C[N@@H+]1CC[C@@]2(C1)CCC[NH+](C)C2 ZINC001658192967 1196223454 /nfs/dbraw/zinc/22/34/54/1196223454.db2.gz IATYEFVNZRNPGI-SFHVURJKSA-N 1 1 317.433 3.129 20 5 DGBDMO Cc1ccc([N+](=O)[O-])c(C)c1C[N@H+]1CC[C@@]2(C1)CCCN(C)C2 ZINC001658192967 1196223460 /nfs/dbraw/zinc/22/34/60/1196223460.db2.gz IATYEFVNZRNPGI-SFHVURJKSA-N 1 1 317.433 3.129 20 5 DGBDMO Cc1ccc([N+](=O)[O-])c(C)c1C[N@@H+]1CC[C@@]2(C1)CCCN(C)C2 ZINC001658192967 1196223465 /nfs/dbraw/zinc/22/34/65/1196223465.db2.gz IATYEFVNZRNPGI-SFHVURJKSA-N 1 1 317.433 3.129 20 5 DGBDMO CC[C@@H]1CC[N@@H+](CCC(=O)Nc2cccc([N+](=O)[O-])c2C)[C@H]1C ZINC001658341372 1196244370 /nfs/dbraw/zinc/24/43/70/1196244370.db2.gz RLBBGMYMJXPVQY-UONOGXRCSA-N 1 1 319.405 3.352 20 5 DGBDMO Cc1ccc(C[NH2+]Cc2ccc([N+](=O)[O-])cc2F)cc1[N+](=O)[O-] ZINC001659845288 1196421526 /nfs/dbraw/zinc/42/15/26/1196421526.db2.gz VDODFOGJHFVHEK-UHFFFAOYSA-N 1 1 319.292 3.240 20 5 DGBDMO C[C@]12C[N@@H+](CCOc3ccccc3[N+](=O)[O-])C[C@H]1[C@H]1CC[C@@H]2C1 ZINC001660402172 1196479916 /nfs/dbraw/zinc/47/99/16/1196479916.db2.gz HYZFTVCZUXBPBU-JTOWHCCKSA-N 1 1 316.401 3.342 20 5 DGBDMO CCC[N@@H+]1CCC[C@H]1CNCc1c(C)ccc([N+](=O)[O-])c1C ZINC001662399839 1196717863 /nfs/dbraw/zinc/71/78/63/1196717863.db2.gz MNVPATXMLFHJMJ-HNNXBMFYSA-N 1 1 305.422 3.176 20 5 DGBDMO CCC[N@H+]1CCC[C@H]1CNCc1c(C)ccc([N+](=O)[O-])c1C ZINC001662399839 1196717868 /nfs/dbraw/zinc/71/78/68/1196717868.db2.gz MNVPATXMLFHJMJ-HNNXBMFYSA-N 1 1 305.422 3.176 20 5 DGBDMO CCC[N@@H+]1CC[C@@H](NCc2ccc(C(C)C)c([N+](=O)[O-])c2)C1 ZINC001662946563 1196774749 /nfs/dbraw/zinc/77/47/49/1196774749.db2.gz KUISZMACFNCLJM-OAHLLOKOSA-N 1 1 305.422 3.292 20 5 DGBDMO CCC[N@H+]1CC[C@@H](NCc2ccc(C(C)C)c([N+](=O)[O-])c2)C1 ZINC001662946563 1196774751 /nfs/dbraw/zinc/77/47/51/1196774751.db2.gz KUISZMACFNCLJM-OAHLLOKOSA-N 1 1 305.422 3.292 20 5 DGBDMO COc1c(O)ccc(C[N@@H+]2CC(C)(C)[C@@H]2C(C)C)c1[N+](=O)[O-] ZINC001664867709 1197072386 /nfs/dbraw/zinc/07/23/86/1197072386.db2.gz JDNYKYRMGKIQML-HNNXBMFYSA-N 1 1 308.378 3.175 20 5 DGBDMO COc1c(O)ccc(C[N@H+]2CC(C)(C)[C@@H]2C(C)C)c1[N+](=O)[O-] ZINC001664867709 1197072390 /nfs/dbraw/zinc/07/23/90/1197072390.db2.gz JDNYKYRMGKIQML-HNNXBMFYSA-N 1 1 308.378 3.175 20 5 DGBDMO CN(CC[N@H+](C)Cc1ccc(F)cc1[N+](=O)[O-])c1ccccc1 ZINC001167353057 1082018065 /nfs/dbraw/zinc/01/80/65/1082018065.db2.gz DNKCCEWEFUAOLO-UHFFFAOYSA-N 1 1 317.364 3.302 20 5 DGBDMO CN(CC[N@@H+](C)Cc1ccc(F)cc1[N+](=O)[O-])c1ccccc1 ZINC001167353057 1082018070 /nfs/dbraw/zinc/01/80/70/1082018070.db2.gz DNKCCEWEFUAOLO-UHFFFAOYSA-N 1 1 317.364 3.302 20 5 DGBDMO COc1ccc(C[C@@H](C)[N@@H+](C)C2CC(F)(F)C2)c([N+](=O)[O-])c1 ZINC001170327239 1082347759 /nfs/dbraw/zinc/34/77/59/1082347759.db2.gz GHYKGDKUVOLRAT-SNVBAGLBSA-N 1 1 314.332 3.264 20 5 DGBDMO CCCO[C@H]1CC[N@H+]([C@@H](C)Cc2ccc(OC)cc2[N+](=O)[O-])C1 ZINC001170344356 1082355228 /nfs/dbraw/zinc/35/52/28/1082355228.db2.gz BBSJLFAUZDHMAQ-BBRMVZONSA-N 1 1 322.405 3.035 20 5 DGBDMO COc1cccc(C[N@@H+]2CCc3ccc([N+](=O)[O-])cc3C2)c1C ZINC001167647605 1082640883 /nfs/dbraw/zinc/64/08/83/1082640883.db2.gz NEAAYRVXZDWNPA-UHFFFAOYSA-N 1 1 312.369 3.470 20 5 DGBDMO COc1cccc(C[N@H+]2CCc3ccc([N+](=O)[O-])cc3C2)c1C ZINC001167647605 1082640888 /nfs/dbraw/zinc/64/08/88/1082640888.db2.gz NEAAYRVXZDWNPA-UHFFFAOYSA-N 1 1 312.369 3.470 20 5 DGBDMO CN(C[C@H]1CCC[N@@H+](C)C1)c1ccc([N+](=O)[O-])cc1C(F)F ZINC001185420095 1084433370 /nfs/dbraw/zinc/43/33/70/1084433370.db2.gz BWHKAEMJVQEMAQ-NSHDSACASA-N 1 1 313.348 3.310 20 5 DGBDMO O=[N+]([O-])c1ccc2ccc(NCc3[nH+]cn4ccccc34)nc2c1 ZINC001161684342 1089344708 /nfs/dbraw/zinc/34/47/08/1089344708.db2.gz PQXHKJOBAWLLDW-UHFFFAOYSA-N 1 1 319.324 3.403 20 5 DGBDMO O=[N+]([O-])c1cc2ccccc2nc1NCc1[nH+]cn2ccccc12 ZINC001161685661 1089347156 /nfs/dbraw/zinc/34/71/56/1089347156.db2.gz LFGCGEDPTXCIGV-UHFFFAOYSA-N 1 1 319.324 3.403 20 5 DGBDMO O=[N+]([O-])c1cccc(NC[C@@H]2CCC[N@H+]2Cc2ccccc2)n1 ZINC001161885647 1089455585 /nfs/dbraw/zinc/45/55/85/1089455585.db2.gz WLDUWYIWEIOCJV-HNNXBMFYSA-N 1 1 312.373 3.066 20 5 DGBDMO CC(C)[N@H+]1CC[C@@H](Nc2nccc(Cl)c2[N+](=O)[O-])[C@@H](C)C1 ZINC001163357829 1090159940 /nfs/dbraw/zinc/15/99/40/1090159940.db2.gz MJBLVRUTEWGFDQ-CMPLNLGQSA-N 1 1 312.801 3.174 20 5 DGBDMO CC(C)[N@H+]1CC[C@@H](Nc2nccc(Cl)c2[N+](=O)[O-])[C@H](C)C1 ZINC001163357833 1090160185 /nfs/dbraw/zinc/16/01/85/1090160185.db2.gz MJBLVRUTEWGFDQ-ZYHUDNBSSA-N 1 1 312.801 3.174 20 5 DGBDMO Cc1ccc(N2CC[N@@H+](C3CCCC3)[C@@H](C)C2)c([N+](=O)[O-])c1 ZINC001307210489 1091737739 /nfs/dbraw/zinc/73/77/39/1091737739.db2.gz NKGIDQRDQGUFEZ-AWEZNQCLSA-N 1 1 303.406 3.356 20 5 DGBDMO O=[N+]([O-])C[C@@H]1CC[C@H]([N@H+]2CCSC[C@@H]2c2ccccc2)C1 ZINC001169034944 1092496470 /nfs/dbraw/zinc/49/64/70/1092496470.db2.gz ISYBGGVWCVQLMR-VNQPRFMTSA-N 1 1 306.431 3.222 20 5 DGBDMO O=[N+]([O-])C[C@@H]1CC[C@@H]([N@H+]2CCC[C@@H](Sc3ccncc3)C2)C1 ZINC001169033313 1092496704 /nfs/dbraw/zinc/49/67/04/1092496704.db2.gz BWSCCILUALCDEZ-IIAWOOMASA-N 1 1 321.446 3.084 20 5 DGBDMO O=[N+]([O-])C[C@@H]1CC[C@@H]([N@H+]2CCSC[C@@H]2c2ccc(F)cc2)C1 ZINC001169032984 1092497218 /nfs/dbraw/zinc/49/72/18/1092497218.db2.gz AMYUMWROQVTVIU-DAXOMENPSA-N 1 1 324.421 3.361 20 5 DGBDMO COc1ccc(C2=CC[N@H+]([C@H]3CC[C@@H](C[N+](=O)[O-])C3)CC2)cc1 ZINC001169042164 1092501680 /nfs/dbraw/zinc/50/16/80/1092501680.db2.gz DHKDGHSAGQGHSF-PBHICJAKSA-N 1 1 316.401 3.230 20 5 DGBDMO COc1cccc(CCC[N@@H+](C)[C@H]2CC[C@H](C[N+](=O)[O-])C2)c1 ZINC001169038805 1092501981 /nfs/dbraw/zinc/50/19/81/1092501981.db2.gz KNTPWFNOUGMTDC-HOTGVXAUSA-N 1 1 306.406 3.005 20 5 DGBDMO C[N@H+]1CCc2ccc(Nc3ccc(F)c([N+](=O)[O-])c3)cc2C1 ZINC001211196838 1093413983 /nfs/dbraw/zinc/41/39/83/1093413983.db2.gz GEWNSOKRKMBAGE-UHFFFAOYSA-N 1 1 301.321 3.465 20 5 DGBDMO CC(C)([NH2+]Cc1nccn1C1CC1)c1ccc([N+](=O)[O-])cc1 ZINC001120039669 1094360063 /nfs/dbraw/zinc/36/00/63/1094360063.db2.gz JUNVHSLWPPFMDH-UHFFFAOYSA-N 1 1 300.362 3.151 20 5 DGBDMO CC[N@H+](CC(=O)Nc1cc(Cl)ccc1[N+](=O)[O-])CC(C)C ZINC001336414629 1094643858 /nfs/dbraw/zinc/64/38/58/1094643858.db2.gz RJQGGYVQDNXZCV-UHFFFAOYSA-N 1 1 313.785 3.165 20 5 DGBDMO O=C1C[NH2+]CC[C@H](Oc2cccc3cc4ccccc4nc32)C1 ZINC001218193499 1094651265 /nfs/dbraw/zinc/65/12/65/1094651265.db2.gz POGRNKCLRLPFBL-INIZCTEOSA-N 1 1 306.365 3.088 20 5 DGBDMO O=[N+]([O-])c1cccc(OCC[N@H+]2CC[C@@H]3CCCC[C@@H]3C2)c1 ZINC001337406382 1094963739 /nfs/dbraw/zinc/96/37/39/1094963739.db2.gz BXMAUPJFQKIZSX-LSDHHAIUSA-N 1 1 304.390 3.486 20 5 DGBDMO O=[N+]([O-])c1ccc([C@H](O)C[N@H+]2CC[C@H]3CCCC[C@H]3C2)cc1 ZINC001116478408 1095570964 /nfs/dbraw/zinc/57/09/64/1095570964.db2.gz HVOJMUXTYBFIKD-UKPHBRMFSA-N 1 1 304.390 3.140 20 5 DGBDMO C[NH+](C)[C@@H]1CCCC[C@@H]1N[C@H]1CCc2c1cccc2[N+](=O)[O-] ZINC001118325037 1095983249 /nfs/dbraw/zinc/98/32/49/1095983249.db2.gz BTYGDOIXXBWLEL-YQQAZPJKSA-N 1 1 303.406 3.045 20 5 DGBDMO Cc1cccc([N+](=O)[O-])c1CO[C@H]1[C@@H]2CCC[C@H]1C[N@H+](C)C2 ZINC001223539439 1095995230 /nfs/dbraw/zinc/99/52/30/1095995230.db2.gz RUNDGXNNRVNONW-HALDLXJZSA-N 1 1 304.390 3.150 20 5 DGBDMO Cc1cc(C)c(CSCc2cn(C)nc2[N+](=O)[O-])c(C)[nH+]1 ZINC001119539937 1096222456 /nfs/dbraw/zinc/22/24/56/1096222456.db2.gz KJNBKIIOUNVWAL-UHFFFAOYSA-N 1 1 306.391 3.082 20 5 DGBDMO C[N@H+]1CCC[C@H]1CO[C@H](c1ccc([N+](=O)[O-])cc1)C(F)(F)F ZINC001224830000 1096296869 /nfs/dbraw/zinc/29/68/69/1096296869.db2.gz LGSXQOYNORPOGN-QWHCGFSZSA-N 1 1 318.295 3.309 20 5 DGBDMO C[C@@H](Oc1cccnc1C[NH+](C)C)c1cccc([N+](=O)[O-])c1 ZINC001225279131 1096382874 /nfs/dbraw/zinc/38/28/74/1096382874.db2.gz VDEKHTIIAFRCBB-GFCCVEGCSA-N 1 1 301.346 3.191 20 5 DGBDMO O=[N+]([O-])c1ncccc1O[C@@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC001225628304 1096488569 /nfs/dbraw/zinc/48/85/69/1096488569.db2.gz GYMBFAPZEOAHBY-OAHLLOKOSA-N 1 1 313.357 3.033 20 5 DGBDMO C[C@H](c1ccccn1)[N@H+]1CC[C@@H](Oc2ccc([N+](=O)[O-])cc2)C1 ZINC001227523553 1096943431 /nfs/dbraw/zinc/94/34/31/1096943431.db2.gz MHBACFPUTHVMCF-CZUORRHYSA-N 1 1 313.357 3.204 20 5 DGBDMO O=[N+]([O-])c1cccc(Cl)c1OC1CC[NH+](CCF)CC1 ZINC001228003536 1097029439 /nfs/dbraw/zinc/02/94/39/1097029439.db2.gz ZHJOTYSPIODAAR-UHFFFAOYSA-N 1 1 302.733 3.061 20 5 DGBDMO CC(C)[N@H+]1CCC[C@@H](Oc2ccc([N+](=O)[O-])c3cccnc23)C1 ZINC001228138561 1097060631 /nfs/dbraw/zinc/06/06/31/1097060631.db2.gz MHIDCGXWAFKZQZ-CYBMUJFWSA-N 1 1 315.373 3.395 20 5 DGBDMO CC(C)[N@H+]1CC[C@H](Oc2nc3ccc([N+](=O)[O-])cc3s2)C1 ZINC001228209330 1097074291 /nfs/dbraw/zinc/07/42/91/1097074291.db2.gz NSUZEBZXXQLVDY-NSHDSACASA-N 1 1 307.375 3.066 20 5 DGBDMO COC[C@@H]1CCCC[N@H+]1[C@@H]1CCc2ccc([N+](=O)[O-])cc2CC1 ZINC001172906257 1097269186 /nfs/dbraw/zinc/26/91/86/1097269186.db2.gz WRXQHCUKNNJCLY-AEFFLSMTSA-N 1 1 318.417 3.343 20 5 DGBDMO CCC[N@@H+](CCOC)[C@H]1CCc2ccc([N+](=O)[O-])cc2CC1 ZINC001172907679 1097269747 /nfs/dbraw/zinc/26/97/47/1097269747.db2.gz HNDVFHKWVUHRCP-INIZCTEOSA-N 1 1 306.406 3.201 20 5 DGBDMO C[C@H]1C[N@H+]([C@@H]2CCc3ccc([N+](=O)[O-])cc3CC2)CCCC1=O ZINC001172909231 1097278615 /nfs/dbraw/zinc/27/86/15/1097278615.db2.gz RFOXMELJZQYRNT-XJKSGUPXSA-N 1 1 316.401 3.143 20 5 DGBDMO CCN(CC)CC[N@@H+](C)[C@H]1CCc2ccc([N+](=O)[O-])cc2CC1 ZINC001172909581 1097291653 /nfs/dbraw/zinc/29/16/53/1097291653.db2.gz SXJQTYGOQAGYHC-KRWDZBQOSA-N 1 1 319.449 3.116 20 5 DGBDMO CC[NH+](CC)CCN(C)[C@H]1CCc2ccc([N+](=O)[O-])cc2CC1 ZINC001172909581 1097291657 /nfs/dbraw/zinc/29/16/57/1097291657.db2.gz SXJQTYGOQAGYHC-KRWDZBQOSA-N 1 1 319.449 3.116 20 5 DGBDMO C[C@H](Cc1ccc([N+](=O)[O-])cc1)[N@H+]1CCC[C@@]2(CCOC2)C1 ZINC001173220758 1097371822 /nfs/dbraw/zinc/37/18/22/1097371822.db2.gz CDDZAIVSXSZKMZ-RHSMWYFYSA-N 1 1 304.390 3.028 20 5 DGBDMO C[C@@H](Cc1ccc([N+](=O)[O-])cc1)[N@H+]1CC(C)(C)C[C@]1(C)CO ZINC001173221050 1097372421 /nfs/dbraw/zinc/37/24/21/1097372421.db2.gz FNCOXDVTQVTBHQ-SUMWQHHRSA-N 1 1 306.406 3.009 20 5 DGBDMO C[C@@H](Cc1ccc([N+](=O)[O-])cc1)[N@H+]1CC[C@H](c2ccccn2)C1 ZINC001173225139 1097374200 /nfs/dbraw/zinc/37/42/00/1097374200.db2.gz BNFOUQWFDCBPKE-HOCLYGCPSA-N 1 1 311.385 3.410 20 5 DGBDMO C[C@@H](Cc1ccc([N+](=O)[O-])cc1)N1CCC([NH3+])(CC2CC2)CC1 ZINC001173224121 1097374263 /nfs/dbraw/zinc/37/42/63/1097374263.db2.gz MFAFVCRKYHDHEA-AWEZNQCLSA-N 1 1 317.433 3.119 20 5 DGBDMO COCC[C@H]1CCCC[N@H+]1[C@H](C)Cc1ccc([N+](=O)[O-])cc1 ZINC001173225712 1097375026 /nfs/dbraw/zinc/37/50/26/1097375026.db2.gz FNZXMTHCGGVIBN-GDBMZVCRSA-N 1 1 306.406 3.417 20 5 DGBDMO C[C@H](Cc1ccc([N+](=O)[O-])cc1)[N@H+]1CCOc2ccccc2C1 ZINC001173228466 1097376584 /nfs/dbraw/zinc/37/65/84/1097376584.db2.gz XGIQHEZNAFLWEE-CQSZACIVSA-N 1 1 312.369 3.420 20 5 DGBDMO CC(C)[N@H+]1CC[C@H](Oc2cc([N+](=O)[O-])cc(C(F)(F)F)c2)C1 ZINC001229830319 1097394746 /nfs/dbraw/zinc/39/47/46/1097394746.db2.gz ADMSFGVVXNUULF-LBPRGKRZSA-N 1 1 318.295 3.475 20 5 DGBDMO Cc1c(C)c([N+](=O)[O-])ccc1O[C@@H]1[C@@H]2CCC[C@H]1C[N@H+](C)C2 ZINC001229881138 1097404326 /nfs/dbraw/zinc/40/43/26/1097404326.db2.gz NQPHCCJNBCNTKM-XOIINTDNSA-N 1 1 304.390 3.321 20 5 DGBDMO CC[NH+]1CC(Oc2c3c(O)cccc3cc3cccc(O)c32)C1 ZINC001230760985 1097576615 /nfs/dbraw/zinc/57/66/15/1097576615.db2.gz LSCWGTLAKSTFBB-UHFFFAOYSA-N 1 1 309.365 3.487 20 5 DGBDMO C[N@@H+]1[C@@H]2CC[C@H]1C[C@@H](Oc1cnc3c(cccc3[N+](=O)[O-])c1)C2 ZINC001231157601 1097684127 /nfs/dbraw/zinc/68/41/27/1097684127.db2.gz FYJOEMVUVUPPHS-WDNDVIMCSA-N 1 1 313.357 3.147 20 5 DGBDMO C[C@@H](C[N+](C)(C)C)Oc1ccccc1C(=O)c1ccccc1O ZINC001231210592 1097695978 /nfs/dbraw/zinc/69/59/78/1097695978.db2.gz TYKSLZKJSREVPH-AWEZNQCLSA-O 1 1 314.405 3.097 20 5 DGBDMO C[C@@H]1CCC[N@@H+](Cc2ccc3ccc4cccnc4c3n2)[C@H]1CO ZINC001232218286 1097969680 /nfs/dbraw/zinc/96/96/80/1097969680.db2.gz FOCHWPJTNQVUIP-KDOFPFPSSA-N 1 1 321.424 3.376 20 5 DGBDMO c1cnc2c(c1)ccc1ccc(CN3CC[N@H+]4CCC[C@@H]4C3)nc12 ZINC001232221653 1097973496 /nfs/dbraw/zinc/97/34/96/1097973496.db2.gz JKLBKYZOSIQMKO-GOSISDBHSA-N 1 1 318.424 3.063 20 5 DGBDMO O=[N+]([O-])c1ccc(Cl)c(C[N@@H+]2CCCC[C@]23CCOC3)c1 ZINC001176971351 1098457687 /nfs/dbraw/zinc/45/76/87/1098457687.db2.gz OSQAOJSSJDNSGS-OAHLLOKOSA-N 1 1 310.781 3.393 20 5 DGBDMO O=[N+]([O-])c1ccc(Cl)c(C[N@H+]2CCCC[C@]23CCOC3)c1 ZINC001176971351 1098457688 /nfs/dbraw/zinc/45/76/88/1098457688.db2.gz OSQAOJSSJDNSGS-OAHLLOKOSA-N 1 1 310.781 3.393 20 5 DGBDMO CC(C)[N@H+]1CC[C@@H](Oc2nccc3c2cccc3[N+](=O)[O-])C1 ZINC001234673777 1098641124 /nfs/dbraw/zinc/64/11/24/1098641124.db2.gz CCZTXMYDGAIPPF-GFCCVEGCSA-N 1 1 301.346 3.005 20 5 DGBDMO C[C@H]1[C@H](Nc2cccc(C(F)(F)F)c2[N+](=O)[O-])CC[N@H+]1C ZINC001187663265 1099567653 /nfs/dbraw/zinc/56/76/53/1099567653.db2.gz UCCIQTFHQPHTNB-WCBMZHEXSA-N 1 1 303.284 3.118 20 5 DGBDMO CCOc1ccc(C[NH2+][C@@H](C)c2cccc([N+](=O)[O-])c2)nc1 ZINC001192673641 1100648869 /nfs/dbraw/zinc/64/88/69/1100648869.db2.gz PHOTZLIUBXBQLT-LBPRGKRZSA-N 1 1 301.346 3.239 20 5 DGBDMO CC[C@@H](C[N@@H+](C)CC[N+](=O)[O-])Oc1ccc(Cl)c(Cl)c1 ZINC001193485045 1100751155 /nfs/dbraw/zinc/75/11/55/1100751155.db2.gz MMAAMPVRJVPGSC-JTQLQIEISA-N 1 1 321.204 3.359 20 5 DGBDMO O=[N+]([O-])c1ccc(OCC[N@@H+](CC2CC2)CC2CCC2)cc1 ZINC001193819375 1100818548 /nfs/dbraw/zinc/81/85/48/1100818548.db2.gz LQQKVWPMLYRFRT-UHFFFAOYSA-N 1 1 304.390 3.486 20 5 DGBDMO C[C@@H]([NH2+]Cc1csc([N+](=O)[O-])c1)c1ccc([N+](=O)[O-])cc1 ZINC001197646808 1101622963 /nfs/dbraw/zinc/62/29/63/1101622963.db2.gz KLUXMEBKWWRSJH-SECBINFHSA-N 1 1 307.331 3.415 20 5 DGBDMO C[C@@H]1CN(Cc2ccccc2[N+](=O)[O-])CC[N@H+]1C1CCCC1 ZINC001197799725 1101667828 /nfs/dbraw/zinc/66/78/28/1101667828.db2.gz ZUKALXDHJVTOAN-CQSZACIVSA-N 1 1 303.406 3.044 20 5 DGBDMO C[C@@H]1CN(Cc2cc(F)ccc2[N+](=O)[O-])CC[N@H+]1C1CCCC1 ZINC001197799412 1101668172 /nfs/dbraw/zinc/66/81/72/1101668172.db2.gz WTFTVJWXGCVLTF-CYBMUJFWSA-N 1 1 321.396 3.183 20 5 DGBDMO COc1ccc([N+](=O)[O-])cc1C[NH2+]Cc1cc2cnccc2o1 ZINC001201632775 1102665485 /nfs/dbraw/zinc/66/54/85/1102665485.db2.gz DMUJACLHNXHQIS-UHFFFAOYSA-N 1 1 313.313 3.034 20 5 DGBDMO COC(=O)CC(C)(C)[N@@H+](C)Cc1ccc([N+](=O)[O-])c(Cl)c1 ZINC001325447577 1103035135 /nfs/dbraw/zinc/03/51/35/1103035135.db2.gz QBFKYENJPWEBSL-UHFFFAOYSA-N 1 1 314.769 3.022 20 5 DGBDMO C[N@@H+](C1CCCC1)C1CCN(c2ccc([N+](=O)[O-])cc2)CC1 ZINC001254479158 1106078630 /nfs/dbraw/zinc/07/86/30/1106078630.db2.gz QKIHFMOHBLTAAR-UHFFFAOYSA-N 1 1 303.406 3.438 20 5 DGBDMO CC1(C)[C@@H]2C[N@@H+](C3CCN(c4ccc([N+](=O)[O-])cc4)CC3)C[C@@H]21 ZINC001254479945 1106079228 /nfs/dbraw/zinc/07/92/28/1106079228.db2.gz RFTDZKMQLOOCEN-CALCHBBNSA-N 1 1 315.417 3.151 20 5 DGBDMO O=[N+]([O-])c1ccc(N2CCC([N@H+]3CC4CCC3CC4)CC2)cc1 ZINC001254479912 1106079257 /nfs/dbraw/zinc/07/92/57/1106079257.db2.gz PZECFMCZTCFNPI-UHFFFAOYSA-N 1 1 315.417 3.438 20 5 DGBDMO C[C@H](Cc1ccccc1[N+](=O)[O-])[N@H+]1CCC[C@@](C)(O)[C@H](C)C1 ZINC001254552805 1106102516 /nfs/dbraw/zinc/10/25/16/1106102516.db2.gz PMLYCTPIEFEGQG-CKEIUWERSA-N 1 1 306.406 3.009 20 5 DGBDMO C[C@@H](Cc1ccccc1[N+](=O)[O-])[N@H+]1CCc2cc(O)ccc2C1 ZINC001254552408 1106102544 /nfs/dbraw/zinc/10/25/44/1106102544.db2.gz LHMPCWHCYLLIOI-ZDUSSCGKSA-N 1 1 312.369 3.290 20 5 DGBDMO C[C@@H](Cc1ccccc1[N+](=O)[O-])[N@H+]1CC[C@@H](C(F)(F)F)C1 ZINC001254559771 1106103495 /nfs/dbraw/zinc/10/34/95/1106103495.db2.gz MOJATHJNQAGXME-CMPLNLGQSA-N 1 1 302.296 3.410 20 5 DGBDMO C[C@@H](Cc1ccccc1[N+](=O)[O-])[N@H+](C)CC(=O)c1ccccc1 ZINC001254568410 1106106239 /nfs/dbraw/zinc/10/62/39/1106106239.db2.gz ZSKMOQRNWUKJCO-AWEZNQCLSA-N 1 1 312.369 3.341 20 5 DGBDMO C[C@@H](Cc1ccccc1[N+](=O)[O-])[N@@H+](C)CC(=O)c1ccccc1 ZINC001254568410 1106106244 /nfs/dbraw/zinc/10/62/44/1106106244.db2.gz ZSKMOQRNWUKJCO-AWEZNQCLSA-N 1 1 312.369 3.341 20 5 DGBDMO O=[N+]([O-])c1ccc2c(c1)C[C@H]([N@@H+]1CCCC(F)(F)[C@H](F)C1)C2 ZINC001254593372 1106109775 /nfs/dbraw/zinc/10/97/75/1106109775.db2.gz LQAOEBVHNVEPDC-ZIAGYGMSSA-N 1 1 314.307 3.131 20 5 DGBDMO O=[N+]([O-])c1ccc2c(c1)C[C@H]([N@H+]1CCCC(F)(F)[C@H](F)C1)C2 ZINC001254593372 1106109778 /nfs/dbraw/zinc/10/97/78/1106109778.db2.gz LQAOEBVHNVEPDC-ZIAGYGMSSA-N 1 1 314.307 3.131 20 5 DGBDMO C[N@@H+](Cc1ccccc1F)[C@@H]1Cc2ccc([N+](=O)[O-])cc2C1 ZINC001254598644 1106110769 /nfs/dbraw/zinc/11/07/69/1106110769.db2.gz IUVGYRCHDMBKIZ-MRXNPFEDSA-N 1 1 300.333 3.333 20 5 DGBDMO COc1ccc2c(c1)CC[N@@H+]([C@@H]1Cc3ccc([N+](=O)[O-])cc3C1)C2 ZINC001254597917 1106110914 /nfs/dbraw/zinc/11/09/14/1106110914.db2.gz JFVBKXUADVAPEG-GOSISDBHSA-N 1 1 324.380 3.129 20 5 DGBDMO Cc1cc([C@@H]2CCC[N@H+]2[C@@H]2Cc3ccc([N+](=O)[O-])cc3C2)no1 ZINC001254599272 1106110988 /nfs/dbraw/zinc/11/09/88/1106110988.db2.gz MZIGAQRPFFGANB-WBVHZDCISA-N 1 1 313.357 3.196 20 5 DGBDMO COc1ccc2c(c1)C[N@@H+]([C@H]1Cc3ccc([N+](=O)[O-])cc3C1)CC2 ZINC001254600841 1106111695 /nfs/dbraw/zinc/11/16/95/1106111695.db2.gz VVJSDFIPTUVVQZ-SFHVURJKSA-N 1 1 324.380 3.129 20 5 DGBDMO C[N@@H+](Cc1cccc(F)c1F)[C@H]1Cc2ccc([N+](=O)[O-])cc2C1 ZINC001254608699 1106112689 /nfs/dbraw/zinc/11/26/89/1106112689.db2.gz SJMZUPNGECWHNN-HNNXBMFYSA-N 1 1 318.323 3.472 20 5 DGBDMO COc1cc(N2CCC([N@@H+](C)C(C)(C)C)CC2)ccc1[N+](=O)[O-] ZINC001256095774 1106368080 /nfs/dbraw/zinc/36/80/80/1106368080.db2.gz AOCOSNCSWDAQCE-UHFFFAOYSA-N 1 1 321.421 3.303 20 5 DGBDMO CC[N@H+](Cc1nc(-c2cc(C)c([N+](=O)[O-])cc2C)no1)C1CC1 ZINC001320213545 1106930154 /nfs/dbraw/zinc/93/01/54/1106930154.db2.gz SNIOQJXLTPPVDB-UHFFFAOYSA-N 1 1 316.361 3.246 20 5 DGBDMO CC[N@@H+](Cc1nc(-c2cc(C)c([N+](=O)[O-])cc2C)no1)C1CC1 ZINC001320213545 1106930165 /nfs/dbraw/zinc/93/01/65/1106930165.db2.gz SNIOQJXLTPPVDB-UHFFFAOYSA-N 1 1 316.361 3.246 20 5 DGBDMO COc1cc([N+](=O)[O-])ccc1C[N@@H+](C)[C@H]1CC[C@H](SC)C1 ZINC001321144279 1107264205 /nfs/dbraw/zinc/26/42/05/1107264205.db2.gz VDENMCHRMYWOGD-JSGCOSHPSA-N 1 1 310.419 3.319 20 5 DGBDMO CCC[N@@H+]1CCCC[C@@H]1C(=O)O[C@H](C)c1ccccc1[N+](=O)[O-] ZINC001322153601 1107546166 /nfs/dbraw/zinc/54/61/66/1107546166.db2.gz MHIDKKDFLVSNEX-CZUORRHYSA-N 1 1 320.389 3.464 20 5 DGBDMO CCC[N@H+]1CCCC[C@@H]1C(=O)O[C@H](C)c1ccccc1[N+](=O)[O-] ZINC001322153601 1107546175 /nfs/dbraw/zinc/54/61/75/1107546175.db2.gz MHIDKKDFLVSNEX-CZUORRHYSA-N 1 1 320.389 3.464 20 5 DGBDMO O=[N+]([O-])c1cnc(N[C@@H]2CC[N@@H+](CC3CC3)C2)c2ccccc21 ZINC001262060075 1107599153 /nfs/dbraw/zinc/59/91/53/1107599153.db2.gz POIUJVXIUZGZEL-CYBMUJFWSA-N 1 1 312.373 3.039 20 5 DGBDMO COC(=O)CC(C)(C)[N@@H+](C)Cc1ccc(Cl)c([N+](=O)[O-])c1 ZINC001322885847 1107774546 /nfs/dbraw/zinc/77/45/46/1107774546.db2.gz OWPGJRMEOYKMMF-UHFFFAOYSA-N 1 1 314.769 3.022 20 5 DGBDMO O=[N+]([O-])c1ccc(Cl)cc1C[N@H+]1CC[C@@H]2OCCC[C@H]2C1 ZINC001319822287 1108652103 /nfs/dbraw/zinc/65/21/03/1108652103.db2.gz BARWBLRKMUVPLL-NHYWBVRUSA-N 1 1 310.781 3.249 20 5 DGBDMO CCC[N@H+]1CCCC[C@H]1C(=O)Nc1cc(C)cc([N+](=O)[O-])c1 ZINC001305601157 1111206187 /nfs/dbraw/zinc/20/61/87/1111206187.db2.gz MSMGJWWGZJPHIW-HNNXBMFYSA-N 1 1 305.378 3.106 20 5 DGBDMO CC[C@@H](C[N@@H+](CC)Cc1cn(C)nc1[N+](=O)[O-])c1ccccc1 ZINC001307703494 1111328876 /nfs/dbraw/zinc/32/88/76/1111328876.db2.gz UVFZMEUOQCJQOO-AWEZNQCLSA-N 1 1 316.405 3.344 20 5 DGBDMO COC(=O)[C@@]1(C)C[N@H+]([C@H](C)c2cc([N+](=O)[O-])ccc2C)C[C@@H]1C ZINC001307996365 1111364678 /nfs/dbraw/zinc/36/46/78/1111364678.db2.gz NLLDXPMIVJEJTI-AHIWAGSCSA-N 1 1 320.389 3.095 20 5 DGBDMO Cc1c(C[NH2+]Cc2noc3cc(F)ccc23)cccc1[N+](=O)[O-] ZINC001308499574 1111435314 /nfs/dbraw/zinc/43/53/14/1111435314.db2.gz MGBUIZQHRPBRJJ-UHFFFAOYSA-N 1 1 315.304 3.473 20 5 DGBDMO O=[N+]([O-])c1cc(C[N@@H+]2CC[C@H](Nc3ccccc3)C2)cs1 ZINC000076757711 185038948 /nfs/dbraw/zinc/03/89/48/185038948.db2.gz HPKZLKJKEGJXPU-AWEZNQCLSA-N 1 1 303.387 3.343 20 5 DGBDMO O=[N+]([O-])c1cc(C[N@H+]2CC[C@H](Nc3ccccc3)C2)cs1 ZINC000076757711 185038950 /nfs/dbraw/zinc/03/89/50/185038950.db2.gz HPKZLKJKEGJXPU-AWEZNQCLSA-N 1 1 303.387 3.343 20 5 DGBDMO CCn1cc(CC[N@@H+](Cc2ccc([N+](=O)[O-])cc2)C2CC2)cn1 ZINC000278755572 214378046 /nfs/dbraw/zinc/37/80/46/214378046.db2.gz XMJNZMSACIKWGN-UHFFFAOYSA-N 1 1 314.389 3.018 20 5 DGBDMO O=[N+]([O-])c1ccc(C[N@@H+]2CCC[C@@H]2[C@H]2CCC[C@H]2O)c(Cl)c1 ZINC000318419701 231170314 /nfs/dbraw/zinc/17/03/14/231170314.db2.gz KFYWERMFJZIUDY-FVQBIDKESA-N 1 1 324.808 3.374 20 5 DGBDMO C[N@@H+](CCc1cccs1)Cc1nc2cc([N+](=O)[O-])ccc2o1 ZINC000083214197 185219898 /nfs/dbraw/zinc/21/98/98/185219898.db2.gz QVTJOEHXNCIXLV-UHFFFAOYSA-N 1 1 317.370 3.472 20 5 DGBDMO CC[C@H](C)[N@@H+](C)CCNc1ccnc2c1cccc2[N+](=O)[O-] ZINC000318984019 529690774 /nfs/dbraw/zinc/69/07/74/529690774.db2.gz KHJVWOUKBHDRSJ-LBPRGKRZSA-N 1 1 302.378 3.285 20 5 DGBDMO Cc1c(NC(=O)[C@@H](C)[N@@H+](C)CC2CCCC2)cccc1[N+](=O)[O-] ZINC000064020650 432007136 /nfs/dbraw/zinc/00/71/36/432007136.db2.gz CEFLZKAVMKFFIJ-CYBMUJFWSA-N 1 1 319.405 3.352 20 5 DGBDMO Cc1cccc([N+](=O)[O-])c1NC(=O)C[NH+]1[C@H](C)CCC[C@H]1C ZINC000066531877 432017687 /nfs/dbraw/zinc/01/76/87/432017687.db2.gz AXWCXAJSKRAJKM-CHWSQXEVSA-N 1 1 305.378 3.105 20 5 DGBDMO Cc1cccc([N+](=O)[O-])c1NC(=O)C[N@H+]1[C@H](C)CCC[C@@H]1C ZINC000066531875 432017613 /nfs/dbraw/zinc/01/76/13/432017613.db2.gz AXWCXAJSKRAJKM-BETUJISGSA-N 1 1 305.378 3.105 20 5 DGBDMO Cc1cccc([N+](=O)[O-])c1NC(=O)C[N@@H+]1[C@H](C)CCC[C@@H]1C ZINC000066531875 432017616 /nfs/dbraw/zinc/01/76/16/432017616.db2.gz AXWCXAJSKRAJKM-BETUJISGSA-N 1 1 305.378 3.105 20 5 DGBDMO CC(C)C[C@H]1CCC[N@H+]1CC(=O)N(C)c1ccc([N+](=O)[O-])cc1 ZINC000130274922 432019556 /nfs/dbraw/zinc/01/95/56/432019556.db2.gz WHHCELGJPXIZJB-MRXNPFEDSA-N 1 1 319.405 3.068 20 5 DGBDMO COc1ccc(C[NH2+]C(C)(C)c2ncc(C)s2)cc1[N+](=O)[O-] ZINC000080360519 192151849 /nfs/dbraw/zinc/15/18/49/192151849.db2.gz IEFQCPZDTFBRPS-UHFFFAOYSA-N 1 1 321.402 3.393 20 5 DGBDMO COc1ccncc1C[N@H+](Cc1ccc([N+](=O)[O-])cc1)C(C)C ZINC000287193466 219371668 /nfs/dbraw/zinc/37/16/68/219371668.db2.gz HWODPWZRHWANTF-UHFFFAOYSA-N 1 1 315.373 3.409 20 5 DGBDMO COc1ccncc1C[N@@H+](Cc1ccc([N+](=O)[O-])cc1)C(C)C ZINC000287193466 219371669 /nfs/dbraw/zinc/37/16/69/219371669.db2.gz HWODPWZRHWANTF-UHFFFAOYSA-N 1 1 315.373 3.409 20 5 DGBDMO C[N@@H+](CCc1ncc(-c2cccc([N+](=O)[O-])c2)o1)C1CCC1 ZINC000072722350 191221587 /nfs/dbraw/zinc/22/15/87/191221587.db2.gz ZXMFUBWIFRXXLD-UHFFFAOYSA-N 1 1 301.346 3.277 20 5 DGBDMO CCCC[N@@H+](CC)Cc1nnc(-c2ccc([N+](=O)[O-])cc2)o1 ZINC000072949939 191255894 /nfs/dbraw/zinc/25/58/94/191255894.db2.gz APSVETCOYBPCQZ-UHFFFAOYSA-N 1 1 304.350 3.267 20 5 DGBDMO Cn1cc([C@@H]2CCCC[N@@H+]2Cc2ccc([N+](=O)[O-])cc2)cn1 ZINC000331937873 234299565 /nfs/dbraw/zinc/29/95/65/234299565.db2.gz MKKBUWVEAWNNTO-INIZCTEOSA-N 1 1 300.362 3.056 20 5 DGBDMO Cn1cc([C@@H]2CCCC[N@H+]2Cc2ccc([N+](=O)[O-])cc2)cn1 ZINC000331937873 234299567 /nfs/dbraw/zinc/29/95/67/234299567.db2.gz MKKBUWVEAWNNTO-INIZCTEOSA-N 1 1 300.362 3.056 20 5 DGBDMO CC[N@@H+](C)C[C@@H]1CCN(Cc2cc(Cl)ccc2[N+](=O)[O-])C1 ZINC000174880931 198396685 /nfs/dbraw/zinc/39/66/85/198396685.db2.gz CDQAOLWFFWXBFQ-LBPRGKRZSA-N 1 1 311.813 3.022 20 5 DGBDMO COC[C@H](C)[N@@H+](C)Cc1ccc(-c2cccc([N+](=O)[O-])c2)o1 ZINC000179370549 432055237 /nfs/dbraw/zinc/05/52/37/432055237.db2.gz AWRZRKBNUFSONR-LBPRGKRZSA-N 1 1 304.346 3.322 20 5 DGBDMO COC[C@@H](C)[N@@H+](C)Cc1ccc(-c2ccc([N+](=O)[O-])cc2)o1 ZINC000179368184 432055550 /nfs/dbraw/zinc/05/55/50/432055550.db2.gz VRQAYMKGQQRGTG-GFCCVEGCSA-N 1 1 304.346 3.322 20 5 DGBDMO C[N@H+]1CCC[C@@H]2CN(c3ccc([N+](=O)[O-])cc3Cl)CC[C@@H]21 ZINC000133473242 432064978 /nfs/dbraw/zinc/06/49/78/432064978.db2.gz QBSMDZVHCLJBMR-RISCZKNCSA-N 1 1 309.797 3.169 20 5 DGBDMO COC[C@@H](C)[N@H+](C)Cc1csc(-c2cccc([N+](=O)[O-])c2)n1 ZINC000179366078 199022621 /nfs/dbraw/zinc/02/26/21/199022621.db2.gz AWYBXAVUFCPSGD-LLVKDONJSA-N 1 1 321.402 3.185 20 5 DGBDMO COC[C@@H](C)[N@@H+](C)Cc1csc(-c2cccc([N+](=O)[O-])c2)n1 ZINC000179366078 199022622 /nfs/dbraw/zinc/02/26/22/199022622.db2.gz AWYBXAVUFCPSGD-LLVKDONJSA-N 1 1 321.402 3.185 20 5 DGBDMO C[C@H](O)[C@@H]1CC[N@@H+](Cc2ccc(-c3cccc([N+](=O)[O-])c3)o2)C1 ZINC000180857933 199218879 /nfs/dbraw/zinc/21/88/79/199218879.db2.gz HCHDZUXZMGHZND-GXTWGEPZSA-N 1 1 316.357 3.058 20 5 DGBDMO CC(C)CC[N@@H+](C)Cc1cn(C)nc1-c1ccc([N+](=O)[O-])cc1 ZINC000180046682 432077617 /nfs/dbraw/zinc/07/76/17/432077617.db2.gz NNFMLZLVFAYFDO-UHFFFAOYSA-N 1 1 316.405 3.473 20 5 DGBDMO Cn1cc(C[NH2+][C@H](c2ccccc2)c2cccc([N+](=O)[O-])c2)cn1 ZINC000180207732 432080818 /nfs/dbraw/zinc/08/08/18/432080818.db2.gz ACCCKECHYSQSPN-GOSISDBHSA-N 1 1 322.368 3.208 20 5 DGBDMO CC[C@]1(CO)CCC[N@H+](Cc2ccc(Cl)cc2[N+](=O)[O-])C1 ZINC000187639285 200137998 /nfs/dbraw/zinc/13/79/98/200137998.db2.gz QTGSYDFTPIIKEM-HNNXBMFYSA-N 1 1 312.797 3.233 20 5 DGBDMO CC[C@]1(CO)CCC[N@@H+](Cc2ccc(Cl)cc2[N+](=O)[O-])C1 ZINC000187639285 200138000 /nfs/dbraw/zinc/13/80/00/200138000.db2.gz QTGSYDFTPIIKEM-HNNXBMFYSA-N 1 1 312.797 3.233 20 5 DGBDMO C[C@H]1CCCC[N@@H+](Cc2nc(-c3ccc([N+](=O)[O-])cc3)no2)C1 ZINC000187971747 200184611 /nfs/dbraw/zinc/18/46/11/200184611.db2.gz OPXCLDMIKAZSLY-LBPRGKRZSA-N 1 1 316.361 3.267 20 5 DGBDMO Cc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@@H+]1C[C@H](C)[C@H](C)[C@@H]1C ZINC000419377983 237675174 /nfs/dbraw/zinc/67/51/74/237675174.db2.gz VGABVIHVSHLAQV-IHRRRGAJSA-N 1 1 319.405 3.208 20 5 DGBDMO O=[N+]([O-])c1ccc(CN2CC[C@H]3[C@H](CCC[N@H+]3C3CC3)C2)cc1 ZINC000134907908 432089699 /nfs/dbraw/zinc/08/96/99/432089699.db2.gz YLBOBKAPQKBYFE-QAPCUYQASA-N 1 1 315.417 3.044 20 5 DGBDMO COc1cc([N+](=O)[O-])ccc1C[N@@H+](C)CCc1ccccc1 ZINC000430201250 238070540 /nfs/dbraw/zinc/07/05/40/238070540.db2.gz YLYFGHBDIKNJAQ-UHFFFAOYSA-N 1 1 300.358 3.278 20 5 DGBDMO COCC[N@@H+](Cc1ccc([N+](=O)[O-])cc1OC)[C@@H]1CCC[C@@H]1C ZINC000430239687 238072205 /nfs/dbraw/zinc/07/22/05/238072205.db2.gz BPZWEBJPMMEDED-XJKSGUPXSA-N 1 1 322.405 3.240 20 5 DGBDMO CC(C)[N@H+](Cc1cc([N+](=O)[O-])cc2c1OCOC2)CC1CCC1 ZINC000193217035 201007947 /nfs/dbraw/zinc/00/79/47/201007947.db2.gz BKGDVPLEAKSRRX-UHFFFAOYSA-N 1 1 320.389 3.472 20 5 DGBDMO O=[N+]([O-])c1ccc2c(c1)[C@@H]([NH2+][C@@H](CCO)c1ccco1)CCC2 ZINC000193297212 201023000 /nfs/dbraw/zinc/02/30/00/201023000.db2.gz XTLZWOFYEQDINS-HOTGVXAUSA-N 1 1 316.357 3.279 20 5 DGBDMO CC[C@@H]([NH2+]Cc1cccnc1OC)c1cccc([N+](=O)[O-])c1 ZINC000193527148 201069753 /nfs/dbraw/zinc/06/97/53/201069753.db2.gz JUEXJLVWOCJLMM-OAHLLOKOSA-N 1 1 301.346 3.239 20 5 DGBDMO C[C@@H](C(=O)Nc1ccccc1[N+](=O)[O-])[N@H+]1CC[C@@H](C)C[C@H](C)C1 ZINC000443640280 239220803 /nfs/dbraw/zinc/22/08/03/239220803.db2.gz IROBVKULBDRDBT-RDBSUJKOSA-N 1 1 319.405 3.290 20 5 DGBDMO Cc1cc([N+](=O)[O-])ccc1NC(=O)C[N@H+]1C[C@H](C)CCC[C@H]1C ZINC000444225699 239271607 /nfs/dbraw/zinc/27/16/07/239271607.db2.gz RLNMTEZHEOKREI-TZMCWYRMSA-N 1 1 319.405 3.352 20 5 DGBDMO C[N@@H+]1CCN(Cc2csc([N+](=O)[O-])c2)[C@@H](c2ccccc2)C1 ZINC000246155707 432100386 /nfs/dbraw/zinc/10/03/86/432100386.db2.gz BSBBMPIGTDSINR-OAHLLOKOSA-N 1 1 317.414 3.145 20 5 DGBDMO C[N@H+]1CCN(Cc2csc([N+](=O)[O-])c2)[C@@H](c2ccccc2)C1 ZINC000246155707 432100390 /nfs/dbraw/zinc/10/03/90/432100390.db2.gz BSBBMPIGTDSINR-OAHLLOKOSA-N 1 1 317.414 3.145 20 5 DGBDMO C[C@@H]1C[N@@H+](Cc2nc3cc([N+](=O)[O-])ccc3[nH]2)[C@@H]2CCCC[C@@H]21 ZINC000444684372 239322991 /nfs/dbraw/zinc/32/29/91/239322991.db2.gz MDGLHYFJBKFJFG-AXAPSJFSSA-N 1 1 314.389 3.482 20 5 DGBDMO CC(C)[C@@H]1CCC[N@H+]1CCC(=O)Nc1cc([N+](=O)[O-])ccc1F ZINC000275525049 212394154 /nfs/dbraw/zinc/39/41/54/212394154.db2.gz WHPXZYZCGXSFIM-HNNXBMFYSA-N 1 1 323.368 3.183 20 5 DGBDMO COc1cc(F)cc(C[N@@H+](C)CCc2ccccc2[N+](=O)[O-])c1 ZINC000449316806 240127729 /nfs/dbraw/zinc/12/77/29/240127729.db2.gz PUSHTGXRGOWXOD-UHFFFAOYSA-N 1 1 318.348 3.417 20 5 DGBDMO Cc1cnn(C)c1C[N@H+]1CCC[C@@H](c2ccc([N+](=O)[O-])cc2)C1 ZINC000449498418 240248894 /nfs/dbraw/zinc/24/88/94/240248894.db2.gz KMRPZRYUZRIKTN-OAHLLOKOSA-N 1 1 314.389 3.016 20 5 DGBDMO O=[N+]([O-])c1ccc([C@@H]2CCC[N@@H+](Cc3cncs3)C2)cc1 ZINC000449505377 240253986 /nfs/dbraw/zinc/25/39/86/240253986.db2.gz XDQGXSOGCPPNGF-CYBMUJFWSA-N 1 1 303.387 3.431 20 5 DGBDMO Cc1n[nH]cc1C[N@H+]1CCC[C@H](c2ccc([N+](=O)[O-])cc2)C1 ZINC000449506960 240255245 /nfs/dbraw/zinc/25/52/45/240255245.db2.gz ZUQRNMYVZIARJY-AWEZNQCLSA-N 1 1 300.362 3.006 20 5 DGBDMO C[N@H+]1CCC[C@@H]2CN(C/C=C/c3ccccc3[N+](=O)[O-])CC[C@@H]21 ZINC000092043156 193146301 /nfs/dbraw/zinc/14/63/01/193146301.db2.gz GJCKUFWFWRTEEF-PRPGUUAMSA-N 1 1 315.417 3.024 20 5 DGBDMO CO[C@@H]1CC[N@H+](Cc2ccc(Cl)cc2[N+](=O)[O-])CC1(C)C ZINC000451550371 241170736 /nfs/dbraw/zinc/17/07/36/241170736.db2.gz IXTPTMGKQISQEI-CQSZACIVSA-N 1 1 312.797 3.495 20 5 DGBDMO CO[C@@H]1CC[N@@H+](Cc2ccc(Cl)cc2[N+](=O)[O-])CC1(C)C ZINC000451550371 241170738 /nfs/dbraw/zinc/17/07/38/241170738.db2.gz IXTPTMGKQISQEI-CQSZACIVSA-N 1 1 312.797 3.495 20 5 DGBDMO O=[N+]([O-])c1ccc([C@H]2CCC[N@H+](CC3(O)CCCC3)C2)cc1 ZINC000451552200 241171496 /nfs/dbraw/zinc/17/14/96/241171496.db2.gz WBAWNYMZKHHHET-HNNXBMFYSA-N 1 1 304.390 3.079 20 5 DGBDMO Cc1noc(CCC[N@@H+](Cc2ccc([N+](=O)[O-])cc2)C(C)C)n1 ZINC000268642950 432114771 /nfs/dbraw/zinc/11/47/71/432114771.db2.gz HQKQKOYBBIPDSX-UHFFFAOYSA-N 1 1 318.377 3.129 20 5 DGBDMO COc1c(C)c[nH+]c(CN(C)Cc2ccccc2[N+](=O)[O-])c1C ZINC000171234821 432115017 /nfs/dbraw/zinc/11/50/17/432115017.db2.gz GHMRNWPFWCVDFF-UHFFFAOYSA-N 1 1 315.373 3.247 20 5 DGBDMO CC[C@H]1C[N@@H+](C/C(C)=C\c2cccc([N+](=O)[O-])c2)CCCO1 ZINC000467558496 244001162 /nfs/dbraw/zinc/00/11/62/244001162.db2.gz BPDWZCWRZRFQPY-QXSWTLKVSA-N 1 1 304.390 3.499 20 5 DGBDMO CC[N@@H+](C)C[C@@H]1CCN(C/C(C)=C\c2cccc([N+](=O)[O-])c2)C1 ZINC000470178629 244155182 /nfs/dbraw/zinc/15/51/82/244155182.db2.gz LQKFVYKUJFROMZ-MJSCBBHESA-N 1 1 317.433 3.272 20 5 DGBDMO CCCCC[N@H+](CCO)Cc1c(Cl)cccc1[N+](=O)[O-] ZINC000119111603 284134868 /nfs/dbraw/zinc/13/48/68/284134868.db2.gz OMVZBEDPXNOCHZ-UHFFFAOYSA-N 1 1 300.786 3.233 20 5 DGBDMO CCCCC[N@@H+](CCO)Cc1c(Cl)cccc1[N+](=O)[O-] ZINC000119111603 284134870 /nfs/dbraw/zinc/13/48/70/284134870.db2.gz OMVZBEDPXNOCHZ-UHFFFAOYSA-N 1 1 300.786 3.233 20 5 DGBDMO O=[N+]([O-])c1cccc(-c2cnc(CC[N@H+]3C[C@@H]4CCC[C@@H]43)o2)c1 ZINC000472562121 244309465 /nfs/dbraw/zinc/30/94/65/244309465.db2.gz HBXZLDLABHURQY-ZFWWWQNUSA-N 1 1 313.357 3.277 20 5 DGBDMO C[C@@H](CCO)[N@@H+](Cc1ccccc1)Cc1cccc([N+](=O)[O-])c1 ZINC000093304096 193228080 /nfs/dbraw/zinc/22/80/80/193228080.db2.gz FSVVJSYFGLIDPA-HNNXBMFYSA-N 1 1 314.385 3.368 20 5 DGBDMO O=[N+]([O-])c1cccc(OCC[N@H+]2CC[C@H](c3ccccc3)C2)c1 ZINC000477288269 244571182 /nfs/dbraw/zinc/57/11/82/244571182.db2.gz DHKLVSDDDOXLTO-INIZCTEOSA-N 1 1 312.369 3.463 20 5 DGBDMO Cc1ccc(C[N@H+](C)[C@H](CCO)c2ccccc2)cc1[N+](=O)[O-] ZINC000093442475 193252898 /nfs/dbraw/zinc/25/28/98/193252898.db2.gz NZQHZFSMLZCITA-QGZVFWFLSA-N 1 1 314.385 3.459 20 5 DGBDMO O=[N+]([O-])c1ccccc1/C=C/C[N@H+]1CCOC2(CCCC2)C1 ZINC000093588869 193270901 /nfs/dbraw/zinc/27/09/01/193270901.db2.gz UQFNUJFOYPDLRS-FNORWQNLSA-N 1 1 302.374 3.253 20 5 DGBDMO C[C@H]1CC[C@@H]([N@@H+](C)CCC(=O)Nc2ccc([N+](=O)[O-])cc2)C1 ZINC000411630472 229811979 /nfs/dbraw/zinc/81/19/79/229811979.db2.gz IKXBJOTWCQLXGC-SWLSCSKDSA-N 1 1 305.378 3.044 20 5 DGBDMO COCC[N@@H+](CCOc1ccccc1[N+](=O)[O-])[C@@H]1CCC[C@H]1C ZINC000488070315 245142872 /nfs/dbraw/zinc/14/28/72/245142872.db2.gz GCKPPHRFHKJFHW-HUUCEWRRSA-N 1 1 322.405 3.111 20 5 DGBDMO C[N@@H+](CCCCCn1cccn1)CCc1cccc([N+](=O)[O-])c1 ZINC000282514594 217053961 /nfs/dbraw/zinc/05/39/61/217053961.db2.gz SKQQLKHVHQRISR-UHFFFAOYSA-N 1 1 316.405 3.136 20 5 DGBDMO O=[N+]([O-])c1ccc(CC[N@H+]2CCCC3(CCOCC3)C2)cc1 ZINC000266029792 205040690 /nfs/dbraw/zinc/04/06/90/205040690.db2.gz RNFORDRIYHHGFB-UHFFFAOYSA-N 1 1 304.390 3.030 20 5 DGBDMO CC[N@H+]1CC[C@H](NCc2cc([N+](=O)[O-])ccc2Cl)[C@@H](C)C1 ZINC000266131114 205124574 /nfs/dbraw/zinc/12/45/74/205124574.db2.gz DBKNDJGVXUIIET-NHYWBVRUSA-N 1 1 311.813 3.068 20 5 DGBDMO Cc1ccc([C@H](O)C[N@@H+](C)CCc2ccccc2[N+](=O)[O-])cc1 ZINC000285339271 218388829 /nfs/dbraw/zinc/38/88/29/218388829.db2.gz OQSLVMUYOFNIPM-GOSISDBHSA-N 1 1 314.385 3.111 20 5 DGBDMO O=C(C[N@H+]1CCC[C@@H]1C1CCCC1)Nc1ccccc1[N+](=O)[O-] ZINC000055928080 184001275 /nfs/dbraw/zinc/00/12/75/184001275.db2.gz MADXTJWZDVINRL-OAHLLOKOSA-N 1 1 317.389 3.188 20 5 DGBDMO O=[N+]([O-])c1cc(Cl)ccc1C[NH2+][C@@H](CO)c1ccccc1 ZINC000063002117 184265376 /nfs/dbraw/zinc/26/53/76/184265376.db2.gz KSUYLLDXZYOCTF-AWEZNQCLSA-N 1 1 306.749 3.071 20 5 DGBDMO C[C@H]1[C@H](Nc2ccc([N+](=O)[O-])cn2)CC[N@H+]1Cc1ccccc1 ZINC000336719410 252998679 /nfs/dbraw/zinc/99/86/79/252998679.db2.gz SDUDYZMHQXEYCZ-XJKSGUPXSA-N 1 1 312.373 3.065 20 5 DGBDMO COc1cc(NC[C@H]2CCCC[N@H+]2C2CC2)ccc1[N+](=O)[O-] ZINC000433808168 533035503 /nfs/dbraw/zinc/03/55/03/533035503.db2.gz OFKLCIMCHVFXBX-CQSZACIVSA-N 1 1 305.378 3.032 20 5 DGBDMO C[C@@H](C1CCC1)[N@@H+](C)CCC(=O)Nc1ccccc1[N+](=O)[O-] ZINC000337305962 253083098 /nfs/dbraw/zinc/08/30/98/253083098.db2.gz ULHYCPHLSHCELS-LBPRGKRZSA-N 1 1 305.378 3.044 20 5 DGBDMO O=[N+]([O-])c1cc(C[N@H+]2CCC[C@@H]2C2CCC2)c2c(c1)COCO2 ZINC000102926767 285086640 /nfs/dbraw/zinc/08/66/40/285086640.db2.gz JLLLGOWSYHPLQE-MRXNPFEDSA-N 1 1 318.373 3.226 20 5 DGBDMO CC[C@H](C)[N@@H+](C)CCNC(=O)Nc1cc([N+](=O)[O-])c(C)cc1C ZINC000120191751 195115967 /nfs/dbraw/zinc/11/59/67/195115967.db2.gz PHCFLSTZTXNEPJ-ZDUSSCGKSA-N 1 1 322.409 3.063 20 5 DGBDMO COCCO[C@@H]1CCC[N@H+]([C@@H](C)c2cc([N+](=O)[O-])ccc2C)C1 ZINC000245525699 285108097 /nfs/dbraw/zinc/10/80/97/285108097.db2.gz OPKBYJLXQUHIPR-GOEBONIOSA-N 1 1 322.405 3.092 20 5 DGBDMO COc1ccc([N+](=O)[O-])cc1C[N@@H+](C)CCc1ccccc1 ZINC000339007124 253388345 /nfs/dbraw/zinc/38/83/45/253388345.db2.gz AZXLXUNOASERPL-UHFFFAOYSA-N 1 1 300.358 3.278 20 5 DGBDMO O=[N+]([O-])c1ccc(-c2ccc(C[N@@H+]3CCC[C@H](O)C3)s2)cc1 ZINC000158751787 197298956 /nfs/dbraw/zinc/29/89/56/197298956.db2.gz CZHAFXCSTCTERA-AWEZNQCLSA-N 1 1 318.398 3.280 20 5 DGBDMO CO[C@H]1[C@H]2[C@H]3C[C@@H]1C[C@H]3C[N@H+]2Cc1cc([N+](=O)[O-])ccc1Cl ZINC000286510274 219026782 /nfs/dbraw/zinc/02/67/82/219026782.db2.gz MUHCZPSUAKKJRE-RLTXXFFMSA-N 1 1 322.792 3.103 20 5 DGBDMO O=[N+]([O-])c1ccc2c(c1)C[N@@H+](C[C@H]1CCC(F)(F)C1)CCO2 ZINC000451048117 285142507 /nfs/dbraw/zinc/14/25/07/285142507.db2.gz JQCQNTIEKQRDQX-NSHDSACASA-N 1 1 312.316 3.225 20 5 DGBDMO O=[N+]([O-])c1ccc2c(c1)C[N@H+](C[C@H]1CCC(F)(F)C1)CCO2 ZINC000451048117 285142509 /nfs/dbraw/zinc/14/25/09/285142509.db2.gz JQCQNTIEKQRDQX-NSHDSACASA-N 1 1 312.316 3.225 20 5 DGBDMO O=[N+]([O-])c1cccc(Cl)c1N1CCC(c2[nH]cc[nH+]2)CC1 ZINC000292522199 285154232 /nfs/dbraw/zinc/15/42/32/285154232.db2.gz PEBKSFBUZIXKOJ-UHFFFAOYSA-N 1 1 306.753 3.355 20 5 DGBDMO O=[N+]([O-])c1ccc(N[C@H]2CC[N@@H+](C/C=C\c3ccccc3)C2)nc1 ZINC000255470871 285157149 /nfs/dbraw/zinc/15/71/49/285157149.db2.gz PQJWJDSDHZHVPB-OUOZUETKSA-N 1 1 324.384 3.189 20 5 DGBDMO O=[N+]([O-])c1ccccc1N1CC[C@@H]2[C@H](CCC[N@H+]2C2CC2)C1 ZINC000161893389 285164167 /nfs/dbraw/zinc/16/41/67/285164167.db2.gz JWSBEVAVVZJCII-UKRRQHHQSA-N 1 1 301.390 3.048 20 5 DGBDMO CCC[N@H+]1CCC[C@H]1CNc1ccc2ncccc2c1[N+](=O)[O-] ZINC000343960651 254206706 /nfs/dbraw/zinc/20/67/06/254206706.db2.gz MMLCUWVIIUJUJU-ZDUSSCGKSA-N 1 1 314.389 3.429 20 5 DGBDMO CCC[C@H](C)[N@@H+](C)CCCn1c(=O)oc2ccc([N+](=O)[O-])cc21 ZINC000343688062 254178026 /nfs/dbraw/zinc/17/80/26/254178026.db2.gz KHSXWRKDCZUSCZ-LBPRGKRZSA-N 1 1 321.377 3.013 20 5 DGBDMO C[N@H+]1CCCC12CCN(Cc1ccc([N+](=O)[O-])cc1Cl)CC2 ZINC000343720876 254180873 /nfs/dbraw/zinc/18/08/73/254180873.db2.gz BJWFUIMHDDEQEK-UHFFFAOYSA-N 1 1 323.824 3.308 20 5 DGBDMO C[C@@H](c1ccccc1[N+](=O)[O-])N1CCC2(CCC[N@H+]2C)CC1 ZINC000343750646 254184512 /nfs/dbraw/zinc/18/45/12/254184512.db2.gz OCBRTPCVBZKKRG-AWEZNQCLSA-N 1 1 303.406 3.216 20 5 DGBDMO O=[N+]([O-])c1ccc(C[NH2+][C@@H](CCO)c2ccccc2)c(Cl)c1 ZINC000344212511 254239607 /nfs/dbraw/zinc/23/96/07/254239607.db2.gz OUMQBAKMBUQMIA-INIZCTEOSA-N 1 1 320.776 3.462 20 5 DGBDMO CC[C@@]1(C)CC[N@@H+](Cc2nc(-c3cccc([N+](=O)[O-])c3)no2)C1 ZINC000344278534 254249594 /nfs/dbraw/zinc/24/95/94/254249594.db2.gz VDMQTGZWVXNNGH-INIZCTEOSA-N 1 1 316.361 3.267 20 5 DGBDMO O=[N+]([O-])c1ccc(NC[C@@H]2CCC[N@H+]2Cc2ccccc2)cn1 ZINC000344436190 254270549 /nfs/dbraw/zinc/27/05/49/254270549.db2.gz PTDLMBJOCYAJCR-INIZCTEOSA-N 1 1 312.373 3.066 20 5 DGBDMO Cc1ccc(CCC[N@H+](C)CCc2ccccc2[N+](=O)[O-])cn1 ZINC000348673730 285341292 /nfs/dbraw/zinc/34/12/92/285341292.db2.gz NQYZEEVTZNYUEF-UHFFFAOYSA-N 1 1 313.401 3.405 20 5 DGBDMO COCc1cc([N+](=O)[O-])ccc1NCCC[N@H+]1CCCC[C@H]1C ZINC000353451437 285358458 /nfs/dbraw/zinc/35/84/58/285358458.db2.gz XAKYLCHYBLGJAP-CQSZACIVSA-N 1 1 321.421 3.418 20 5 DGBDMO C/C(=C/c1cccc([N+](=O)[O-])c1)C[N@@H+](C)C[C@@H]1CCC[C@@H]1O ZINC000470181499 533381238 /nfs/dbraw/zinc/38/12/38/533381238.db2.gz DEPUVPIOWAVTIU-AHIVSBDTSA-N 1 1 304.390 3.091 20 5 DGBDMO C/C(=C/c1cccc([N+](=O)[O-])c1)CN1CCC[N@H+](C(C)C)CC1 ZINC000470172901 533383339 /nfs/dbraw/zinc/38/33/39/533383339.db2.gz FDVFUWQEQDSQFW-VBKFSLOCSA-N 1 1 317.433 3.414 20 5 DGBDMO C/C(=C\c1cccc([N+](=O)[O-])c1)C[N@@H+](C)CC1(N(C)C)CCC1 ZINC000470212491 533407179 /nfs/dbraw/zinc/40/71/79/533407179.db2.gz VSADWEITZFXIGA-RVDMUPIBSA-N 1 1 317.433 3.414 20 5 DGBDMO C/C(=C\c1cccc([N+](=O)[O-])c1)C[N@H+](C)CC1(N(C)C)CCC1 ZINC000470212491 533407184 /nfs/dbraw/zinc/40/71/84/533407184.db2.gz VSADWEITZFXIGA-RVDMUPIBSA-N 1 1 317.433 3.414 20 5 DGBDMO CO[C@@H]1CC[N@H+](Cc2ccc([N+](=O)[O-])cc2Cl)CC1(C)C ZINC000294990190 533416701 /nfs/dbraw/zinc/41/67/01/533416701.db2.gz KOCLQDRNKIDRFH-CQSZACIVSA-N 1 1 312.797 3.495 20 5 DGBDMO CO[C@@H]1CC[N@@H+](Cc2ccc([N+](=O)[O-])cc2Cl)CC1(C)C ZINC000294990190 533416705 /nfs/dbraw/zinc/41/67/05/533416705.db2.gz KOCLQDRNKIDRFH-CQSZACIVSA-N 1 1 312.797 3.495 20 5 DGBDMO COc1cc([N+](=O)[O-])ccc1[C@@H](C)[NH2+]Cc1cnccc1C ZINC000595040129 400085673 /nfs/dbraw/zinc/08/56/73/400085673.db2.gz CUQGZKZVYUCBFA-GFCCVEGCSA-N 1 1 301.346 3.158 20 5 DGBDMO CCn1cc([C@@H](C)[NH2+][C@@H](C)c2ccc([N+](=O)[O-])cc2OC)cn1 ZINC000595051232 400090309 /nfs/dbraw/zinc/09/03/09/400090309.db2.gz LWOVMMPMJMUIDG-NEPJUHHUSA-N 1 1 318.377 3.232 20 5 DGBDMO C[N@H+]1CCC[C@H]1CCSCCOc1ccc([N+](=O)[O-])cc1 ZINC000600572236 400096237 /nfs/dbraw/zinc/09/62/37/400096237.db2.gz XJVHFAHVEOHAHR-ZDUSSCGKSA-N 1 1 310.419 3.191 20 5 DGBDMO COc1cccc(OC)c1C[NH2+][C@H](C)c1cccc([N+](=O)[O-])c1 ZINC000595074441 400099862 /nfs/dbraw/zinc/09/98/62/400099862.db2.gz RWCKFLPLXCLQBN-GFCCVEGCSA-N 1 1 316.357 3.463 20 5 DGBDMO C[C@@H]1CCCC[N@H+]1CCCNc1ccc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000017281794 400178302 /nfs/dbraw/zinc/17/83/02/400178302.db2.gz UBIJFQFZGWHENK-GFCCVEGCSA-N 1 1 322.365 3.179 20 5 DGBDMO O=[N+]([O-])c1ccc(-c2ccc(C[NH2+]Cc3cc[nH]n3)s2)cc1 ZINC000609620531 400181654 /nfs/dbraw/zinc/18/16/54/400181654.db2.gz UIBAJSVBHFTQTE-UHFFFAOYSA-N 1 1 314.370 3.336 20 5 DGBDMO O=[N+]([O-])c1ccccc1C[N@@H+]1CCC[C@H](OCC(F)(F)F)C1 ZINC000608781915 400119703 /nfs/dbraw/zinc/11/97/03/400119703.db2.gz DENAAGCVBMNWSS-LBPRGKRZSA-N 1 1 318.295 3.138 20 5 DGBDMO O=[N+]([O-])c1ccccc1C[N@H+]1CCC[C@H](OCC(F)(F)F)C1 ZINC000608781915 400119707 /nfs/dbraw/zinc/11/97/07/400119707.db2.gz DENAAGCVBMNWSS-LBPRGKRZSA-N 1 1 318.295 3.138 20 5 DGBDMO CCC[N@H+]1CC[C@@H](CNc2ccc3cc([N+](=O)[O-])ccc3n2)C1 ZINC000091457721 400121146 /nfs/dbraw/zinc/12/11/46/400121146.db2.gz ZIQCUZAVGRUQPV-ZDUSSCGKSA-N 1 1 314.389 3.287 20 5 DGBDMO COc1cc(C[N@H+](Cc2ccc([N+](=O)[O-])cc2)C(C)C)sn1 ZINC000595296263 400121119 /nfs/dbraw/zinc/12/11/19/400121119.db2.gz YQRVUBGJCLVELM-UHFFFAOYSA-N 1 1 321.402 3.471 20 5 DGBDMO COc1cc(C[N@@H+](Cc2ccc([N+](=O)[O-])cc2)C(C)C)sn1 ZINC000595296263 400121122 /nfs/dbraw/zinc/12/11/22/400121122.db2.gz YQRVUBGJCLVELM-UHFFFAOYSA-N 1 1 321.402 3.471 20 5 DGBDMO O=[N+]([O-])c1cc(Cl)ccc1N1CCC[C@@H](c2[nH]cc[nH+]2)C1 ZINC000091479643 400122703 /nfs/dbraw/zinc/12/27/03/400122703.db2.gz RYWSLXYYLBWAHJ-SNVBAGLBSA-N 1 1 306.753 3.355 20 5 DGBDMO Cc1noc(C[N@H+]2CCCC[C@@H]2Cc2ccccc2)c1[N+](=O)[O-] ZINC000595308405 400123819 /nfs/dbraw/zinc/12/38/19/400123819.db2.gz IUVXYUAVQVRUJT-OAHLLOKOSA-N 1 1 315.373 3.488 20 5 DGBDMO Cc1noc(C[N@H+](C)CCc2ccc(Cl)cc2)c1[N+](=O)[O-] ZINC000595316358 400125329 /nfs/dbraw/zinc/12/53/29/400125329.db2.gz BLGOVTFLYQIWDG-UHFFFAOYSA-N 1 1 309.753 3.219 20 5 DGBDMO Cc1noc(C[N@@H+](C)CCc2ccc(Cl)cc2)c1[N+](=O)[O-] ZINC000595316358 400125337 /nfs/dbraw/zinc/12/53/37/400125337.db2.gz BLGOVTFLYQIWDG-UHFFFAOYSA-N 1 1 309.753 3.219 20 5 DGBDMO Cc1noc(C[N@@H+](C)[C@@H](C)Cc2ccc(C)cc2)c1[N+](=O)[O-] ZINC000595329395 400128879 /nfs/dbraw/zinc/12/88/79/400128879.db2.gz RMUYHQGAKGURDH-LBPRGKRZSA-N 1 1 303.362 3.263 20 5 DGBDMO Cc1noc(C[N@H+](C)[C@@H](C)Cc2ccc(C)cc2)c1[N+](=O)[O-] ZINC000595329395 400128884 /nfs/dbraw/zinc/12/88/84/400128884.db2.gz RMUYHQGAKGURDH-LBPRGKRZSA-N 1 1 303.362 3.263 20 5 DGBDMO COc1ccc([C@@H]([NH2+]Cc2onc(C)c2[N+](=O)[O-])C2CC2)cc1 ZINC000595421422 400143659 /nfs/dbraw/zinc/14/36/59/400143659.db2.gz IUAKHXYEQVEJLH-HNNXBMFYSA-N 1 1 317.345 3.141 20 5 DGBDMO CC(C)[N@@H+](C)CC1CCN(Cc2c(F)cccc2[N+](=O)[O-])CC1 ZINC000609145740 400144815 /nfs/dbraw/zinc/14/48/15/400144815.db2.gz ZWPIRCJVPFVCJC-UHFFFAOYSA-N 1 1 323.412 3.286 20 5 DGBDMO CC(C)n1cc([C@@H](C)[NH2+]Cc2ccc(F)cc2[N+](=O)[O-])cn1 ZINC000595429972 400147209 /nfs/dbraw/zinc/14/72/09/400147209.db2.gz QSRZKIIDJGDRHL-LLVKDONJSA-N 1 1 306.341 3.362 20 5 DGBDMO Cc1c(C[NH2+]Cc2nc3c(s2)CCC3)cccc1[N+](=O)[O-] ZINC000616483643 400156815 /nfs/dbraw/zinc/15/68/15/400156815.db2.gz VLDVRQMUWANVSF-UHFFFAOYSA-N 1 1 303.387 3.138 20 5 DGBDMO CC(C)[N@H+]1CC[C@@H](CNc2ccc([N+](=O)[O-])c3ncccc23)C1 ZINC000320350298 400165407 /nfs/dbraw/zinc/16/54/07/400165407.db2.gz KUZSOMHECNAYRM-ZDUSSCGKSA-N 1 1 314.389 3.285 20 5 DGBDMO Cc1noc(C)c1C(C)(C)[NH2+]Cc1ccc(F)cc1[N+](=O)[O-] ZINC000595485271 400165567 /nfs/dbraw/zinc/16/55/67/400165567.db2.gz XEXBBWBENDYUSJ-UHFFFAOYSA-N 1 1 307.325 3.364 20 5 DGBDMO Cc1noc(C[N@H+](C)[C@H]2CC[C@@H](C(F)(F)F)CC2)c1[N+](=O)[O-] ZINC000595490852 400166455 /nfs/dbraw/zinc/16/64/55/400166455.db2.gz RLCQIDQESIFYTN-AOOOYVTPSA-N 1 1 321.299 3.444 20 5 DGBDMO CCc1ccc([C@H]2CC[N@@H+](Cc3onc(C)c3[N+](=O)[O-])C2)cc1 ZINC000595503445 400171084 /nfs/dbraw/zinc/17/10/84/400171084.db2.gz VPEZVAUCMZBJPF-HNNXBMFYSA-N 1 1 315.373 3.443 20 5 DGBDMO C[C@H]1COC2(CCC2)C[N@H+]1CCCOc1ccc([N+](=O)[O-])cc1 ZINC000595675505 400224500 /nfs/dbraw/zinc/22/45/00/400224500.db2.gz OQCIFQCQGRROCR-AWEZNQCLSA-N 1 1 320.389 3.007 20 5 DGBDMO Cc1cn(Cc2ccc(Br)cc2[N+](=O)[O-])c(C)[nH+]1 ZINC000601080382 400224544 /nfs/dbraw/zinc/22/45/44/400224544.db2.gz LUYXJONPSISYOA-UHFFFAOYSA-N 1 1 310.151 3.219 20 5 DGBDMO COc1ccc([N+](=O)[O-])cc1C[NH2+]Cc1ccc(C)cc1F ZINC000601106119 400233274 /nfs/dbraw/zinc/23/32/74/400233274.db2.gz RWPSMXALNVOIHV-UHFFFAOYSA-N 1 1 304.321 3.341 20 5 DGBDMO CCO[C@H]1CCN(c2cc[nH+]c3ccc([N+](=O)[O-])cc32)C[C@H]1C ZINC000601171811 400256008 /nfs/dbraw/zinc/25/60/08/400256008.db2.gz QKHPQWBCKWEWKD-PXAZEXFGSA-N 1 1 315.373 3.394 20 5 DGBDMO CCO[C@@H]1CCCN(c2cc[nH+]c3ccc([N+](=O)[O-])cc32)C1 ZINC000601108187 400234547 /nfs/dbraw/zinc/23/45/47/400234547.db2.gz HXOJUJWOFWUQDJ-CYBMUJFWSA-N 1 1 301.346 3.148 20 5 DGBDMO O=[N+]([O-])c1ccc2nccc(N3CCC[C@@H](c4[nH]cc[nH+]4)C3)c2c1 ZINC000601110691 400236468 /nfs/dbraw/zinc/23/64/68/400236468.db2.gz KOWCOLVYTQUSHV-GFCCVEGCSA-N 1 1 323.356 3.250 20 5 DGBDMO O=[N+]([O-])c1ccc2[nH+]ccc(N3CCC[C@@H](c4ncc[nH]4)C3)c2c1 ZINC000601110691 400236472 /nfs/dbraw/zinc/23/64/72/400236472.db2.gz KOWCOLVYTQUSHV-GFCCVEGCSA-N 1 1 323.356 3.250 20 5 DGBDMO Cc1c(NC(=O)[C@H](C)[N@@H+]2C[C@H](C)C[C@H](C)C2)cccc1[N+](=O)[O-] ZINC000025508034 400238263 /nfs/dbraw/zinc/23/82/63/400238263.db2.gz QWYKXKDXOWICAJ-SCRDCRAPSA-N 1 1 319.405 3.208 20 5 DGBDMO COC1CCC([N@@H+](C)C/C=C/c2ccccc2[N+](=O)[O-])CC1 ZINC000093414873 400243973 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DGBDMO C[C@H](c1ccccc1[N+](=O)[O-])[N@H+]1CCC[C@@H](n2ccnc2)C1 ZINC000610368839 400252397 /nfs/dbraw/zinc/25/23/97/400252397.db2.gz UTMVGBJSIMHDBD-ZIAGYGMSSA-N 1 1 300.362 3.189 20 5 DGBDMO C[C@@H](c1ccccc1[N+](=O)[O-])[N@H+]1CCc2ccc(O)cc2CC1 ZINC000610390321 400253645 /nfs/dbraw/zinc/25/36/45/400253645.db2.gz WABZKSULLQDHDQ-ZDUSSCGKSA-N 1 1 312.369 3.462 20 5 DGBDMO CSC1CCN(c2cc[nH+]c3ccc([N+](=O)[O-])cc32)CC1 ZINC000601206247 400263091 /nfs/dbraw/zinc/26/30/91/400263091.db2.gz SNPXVWYJSZMTSN-UHFFFAOYSA-N 1 1 303.387 3.475 20 5 DGBDMO C[N@@H+](CCc1ccccc1[N+](=O)[O-])Cc1ccc2[nH]cnc2c1 ZINC000589183795 400270181 /nfs/dbraw/zinc/27/01/81/400270181.db2.gz OZLKSUDPWJEFEU-UHFFFAOYSA-N 1 1 310.357 3.146 20 5 DGBDMO C[N@H+](CCc1ccccc1[N+](=O)[O-])Cc1ccc2nc[nH]c2c1 ZINC000589183795 400270184 /nfs/dbraw/zinc/27/01/84/400270184.db2.gz OZLKSUDPWJEFEU-UHFFFAOYSA-N 1 1 310.357 3.146 20 5 DGBDMO C[N@@H+](CCc1ccccc1[N+](=O)[O-])Cc1ccc2nc[nH]c2c1 ZINC000589183795 400270187 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QWYKXKDXOWICAJ-MBNYWOFBSA-N 1 1 319.405 3.208 20 5 DGBDMO O=[N+]([O-])c1cccc(F)c1NC[C@@H]1CCC[N@@H+](CC2CC2)C1 ZINC000596570056 400446705 /nfs/dbraw/zinc/44/67/05/400446705.db2.gz IGRVHMCAJKWRPX-ZDUSSCGKSA-N 1 1 307.369 3.268 20 5 DGBDMO C[C@H]1COCCC[N@@H+]1Cc1ccc(C(F)(F)F)cc1[N+](=O)[O-] ZINC000602471594 400470937 /nfs/dbraw/zinc/47/09/37/400470937.db2.gz FDZMZFPUNFOXJX-JTQLQIEISA-N 1 1 318.295 3.224 20 5 DGBDMO C[C@H]1COCCC[N@H+]1Cc1ccc(C(F)(F)F)cc1[N+](=O)[O-] ZINC000602471594 400470941 /nfs/dbraw/zinc/47/09/41/400470941.db2.gz FDZMZFPUNFOXJX-JTQLQIEISA-N 1 1 318.295 3.224 20 5 DGBDMO C[C@H](C(=O)Nc1ccccc1[N+](=O)[O-])[N@H+]1CC[C@@H](C2CCC2)C1 ZINC000591061702 400480702 /nfs/dbraw/zinc/48/07/02/400480702.db2.gz DOVVIQZEFDSAJL-TZMCWYRMSA-N 1 1 317.389 3.044 20 5 DGBDMO COc1cc(C[N@H+]2CC[C@H](C3CCC3)C2)c([N+](=O)[O-])cc1F ZINC000591062923 400480837 /nfs/dbraw/zinc/48/08/37/400480837.db2.gz BLUSZWVCQYBBHM-LBPRGKRZSA-N 1 1 308.353 3.365 20 5 DGBDMO C[C@@H](C(=O)Nc1ccc([N+](=O)[O-])cc1)[N@H+]1CC[C@H](C2CCC2)C1 ZINC000591061690 400481032 /nfs/dbraw/zinc/48/10/32/400481032.db2.gz DDHZTALIVFTBST-JSGCOSHPSA-N 1 1 317.389 3.044 20 5 DGBDMO O=[N+]([O-])c1ccc2[nH]c(C[N@H+]3CC[C@H](C4CCC4)C3)nc2c1 ZINC000591063182 400481048 /nfs/dbraw/zinc/48/10/48/400481048.db2.gz ITNJYJFGTAUOTD-LBPRGKRZSA-N 1 1 300.362 3.093 20 5 DGBDMO CC(C)[N@@H+](C)CCNCc1ccc(C(F)(F)F)cc1[N+](=O)[O-] ZINC000602524938 400487908 /nfs/dbraw/zinc/48/79/08/400487908.db2.gz BLPLQWZHXOJWMO-UHFFFAOYSA-N 1 1 319.327 3.043 20 5 DGBDMO Cc1cc(NCCCC[N@@H+]2CCCC[C@@H]2C)ncc1[N+](=O)[O-] ZINC000074740921 400531087 /nfs/dbraw/zinc/53/10/87/400531087.db2.gz ZHDGYAOKORQVSZ-AWEZNQCLSA-N 1 1 306.410 3.365 20 5 DGBDMO CCCC[N@@H+](C)CC1CCN(c2cc(C)c([N+](=O)[O-])cn2)CC1 ZINC000074742062 400531470 /nfs/dbraw/zinc/53/14/70/400531470.db2.gz UZLKJINMXFLESE-UHFFFAOYSA-N 1 1 320.437 3.247 20 5 DGBDMO Cc1ncc([N+](=O)[O-])n1CC[N@H+]1CCC[C@H]1c1ccc(C)cc1 ZINC000602756900 400565132 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3.046 20 5 DGBDMO Cc1c[nH+]ccc1OC1CCN(c2ccc([N+](=O)[O-])s2)CC1 ZINC000618586713 400632812 /nfs/dbraw/zinc/63/28/12/400632812.db2.gz BFKVTRKDSRRYGC-UHFFFAOYSA-N 1 1 319.386 3.408 20 5 DGBDMO CSC[C@@H]1CCC[N@H+]1CCCOc1ccc([N+](=O)[O-])cc1 ZINC000135477427 400587396 /nfs/dbraw/zinc/58/73/96/400587396.db2.gz CIEURLDVHRZIKA-AWEZNQCLSA-N 1 1 310.419 3.191 20 5 DGBDMO COc1cc(C[N@@H+](C)C[C@H]2CC2(C)C)c([N+](=O)[O-])cc1OC ZINC000597252025 400600634 /nfs/dbraw/zinc/60/06/34/400600634.db2.gz HNWISPQWMBSIFP-GFCCVEGCSA-N 1 1 308.378 3.090 20 5 DGBDMO O=[N+]([O-])c1cccc(F)c1C[N@H+]1CCC[C@@H]1[C@@H]1CCCOC1 ZINC000592134925 400611908 /nfs/dbraw/zinc/61/19/08/400611908.db2.gz UELVXMMDUBUTKT-IUODEOHRSA-N 1 1 308.353 3.125 20 5 DGBDMO CC[C@@H](N[C@H]1CC[N@H+](CC2CC2)C1)c1cccc([N+](=O)[O-])c1 ZINC000157756664 400720318 /nfs/dbraw/zinc/72/03/18/400720318.db2.gz WRHQHAXEFWEVBP-DOTOQJQBSA-N 1 1 303.406 3.120 20 5 DGBDMO CC[C@@H](N[C@H]1CC[N@@H+](CC2CC2)C1)c1cccc([N+](=O)[O-])c1 ZINC000157756664 400720326 /nfs/dbraw/zinc/72/03/26/400720326.db2.gz WRHQHAXEFWEVBP-DOTOQJQBSA-N 1 1 303.406 3.120 20 5 DGBDMO O=[N+]([O-])c1ccccc1C[N@@H+]1C[C@H]2CN(c3ccccc3)C[C@H]2C1 ZINC000603864490 400726287 /nfs/dbraw/zinc/72/62/87/400726287.db2.gz HGMGLBTZMYVKAT-CALCHBBNSA-N 1 1 323.396 3.163 20 5 DGBDMO Cc1cncc(CC[N@@H+](Cc2ccc([N+](=O)[O-])cc2)C(C)C)n1 ZINC000592998897 400729952 /nfs/dbraw/zinc/72/99/52/400729952.db2.gz HLLXPWGNBQKXIH-UHFFFAOYSA-N 1 1 314.389 3.146 20 5 DGBDMO O=[N+]([O-])c1cc(C[N@H+]2CC[C@@H]3CCCC[C@@H]32)c2c(c1)COCO2 ZINC000159652618 400730305 /nfs/dbraw/zinc/73/03/05/400730305.db2.gz WJODRKKGHLJYEE-LRDDRELGSA-N 1 1 318.373 3.226 20 5 DGBDMO O=[N+]([O-])c1ccc(OCCC[N@H+]2CCc3sccc3C2)cc1 ZINC000604012466 400742837 /nfs/dbraw/zinc/74/28/37/400742837.db2.gz GRWQLFJSYHARSA-UHFFFAOYSA-N 1 1 318.398 3.484 20 5 DGBDMO Cc1cc([C@@H]2CCC[N@H+]2CCOc2ccccc2[N+](=O)[O-])on1 ZINC000052011387 400713827 /nfs/dbraw/zinc/71/38/27/400713827.db2.gz QKODXHMBHLZFJT-ZDUSSCGKSA-N 1 1 317.345 3.107 20 5 DGBDMO C[C@@H]1CCCN(C/C=C\c2ccccc2[N+](=O)[O-])[C@@H]1CC[NH3+] ZINC000593316292 400817405 /nfs/dbraw/zinc/81/74/05/400817405.db2.gz OROGWYVSHCXZBH-YOPWKTHZSA-N 1 1 303.406 3.057 20 5 DGBDMO COCC[N@H+](Cc1cccs1)Cc1ccc([N+](=O)[O-])cc1 ZINC000053099638 400764144 /nfs/dbraw/zinc/76/41/44/400764144.db2.gz KVZRCKDEBOOYPM-UHFFFAOYSA-N 1 1 306.387 3.305 20 5 DGBDMO COCC[N@@H+](Cc1cccs1)Cc1ccc([N+](=O)[O-])cc1 ZINC000053099638 400764149 /nfs/dbraw/zinc/76/41/49/400764149.db2.gz KVZRCKDEBOOYPM-UHFFFAOYSA-N 1 1 306.387 3.305 20 5 DGBDMO CCC1CC[NH+]([C@@H](C)C(=O)Nc2ccccc2[N+](=O)[O-])CC1 ZINC000053376702 400780043 /nfs/dbraw/zinc/78/00/43/400780043.db2.gz YEFSVBULNXOQDD-LBPRGKRZSA-N 1 1 305.378 3.044 20 5 DGBDMO C[C@H](c1ccccc1)[N@H+]1CC[C@H](Nc2ncccc2[N+](=O)[O-])C1 ZINC000053580407 400792302 /nfs/dbraw/zinc/79/23/02/400792302.db2.gz QUGDLNITFXWOCS-HIFRSBDPSA-N 1 1 312.373 3.237 20 5 DGBDMO CCOc1ccc(C[N@@H+](C)CCc2cccc([N+](=O)[O-])c2)nc1 ZINC000619785204 400907279 /nfs/dbraw/zinc/90/72/79/400907279.db2.gz WYLLMTQQFNOGFN-UHFFFAOYSA-N 1 1 315.373 3.063 20 5 DGBDMO O=[N+]([O-])c1ccccc1/C=C/CNC[C@H]1CC[N@@H+]1C1CCCC1 ZINC000598998851 400925055 /nfs/dbraw/zinc/92/50/55/400925055.db2.gz JAUAYYMUIGEQNZ-QQOXCAACSA-N 1 1 315.417 3.215 20 5 DGBDMO O=[N+]([O-])c1ccccc1/C=C/CNC[C@H]1CC[N@H+]1C1CCCC1 ZINC000598998851 400925061 /nfs/dbraw/zinc/92/50/61/400925061.db2.gz JAUAYYMUIGEQNZ-QQOXCAACSA-N 1 1 315.417 3.215 20 5 DGBDMO C[C@H](c1ccccc1[N+](=O)[O-])[N@H+]1CCC[C@H](c2ncc[nH]2)C1 ZINC000080960529 401007622 /nfs/dbraw/zinc/00/76/22/401007622.db2.gz MGPQRAVCPHFOFW-OLZOCXBDSA-N 1 1 300.362 3.259 20 5 DGBDMO C[N@H+]1CCCC[C@@H](CNc2nccc3c2cccc3[N+](=O)[O-])C1 ZINC000599140247 400973159 /nfs/dbraw/zinc/97/31/59/400973159.db2.gz ANIVLLJVGFMQHH-ZDUSSCGKSA-N 1 1 314.389 3.287 20 5 DGBDMO COc1cc(C[NH+]2CCCCC2)c([N+](=O)[O-])cc1OC(F)F ZINC000058452100 401052522 /nfs/dbraw/zinc/05/25/22/401052522.db2.gz DVHFOSMYACYHGZ-UHFFFAOYSA-N 1 1 316.304 3.191 20 5 DGBDMO CCO[C@H](C[N@@H+](Cc1ccc([N+](=O)[O-])cc1)C1CC1)C1CC1 ZINC000599339262 401026320 /nfs/dbraw/zinc/02/63/20/401026320.db2.gz LOYUBHSIVURWOM-QGZVFWFLSA-N 1 1 304.390 3.374 20 5 DGBDMO C[C@@H]([NH2+]Cc1cc(CO)ccc1F)c1cccc([N+](=O)[O-])c1 ZINC000599349195 401030037 /nfs/dbraw/zinc/03/00/37/401030037.db2.gz GBDNXEVYEZPRIR-LLVKDONJSA-N 1 1 304.321 3.077 20 5 DGBDMO C[N@H+](CCc1cccc([N+](=O)[O-])c1)Cc1ncccc1Cl ZINC000599405391 401044046 /nfs/dbraw/zinc/04/40/46/401044046.db2.gz RQPYRWMGGGUXBH-UHFFFAOYSA-N 1 1 305.765 3.318 20 5 DGBDMO C[N@@H+](CCc1cccc([N+](=O)[O-])c1)Cc1ncccc1Cl ZINC000599405391 401044050 /nfs/dbraw/zinc/04/40/50/401044050.db2.gz RQPYRWMGGGUXBH-UHFFFAOYSA-N 1 1 305.765 3.318 20 5 DGBDMO CC[C@H]1CCCC[N@H+]1CCC(=O)Nc1ccc([N+](=O)[O-])cc1C ZINC000060089765 401100892 /nfs/dbraw/zinc/10/08/92/401100892.db2.gz URVYIHFIYWAOAU-AWEZNQCLSA-N 1 1 319.405 3.496 20 5 DGBDMO CCC(O)(CC)C[N@@H+](C)Cc1ccc(Cl)cc1[N+](=O)[O-] ZINC000599673585 401108482 /nfs/dbraw/zinc/10/84/82/401108482.db2.gz QOXSQXLHWDGPPO-UHFFFAOYSA-N 1 1 300.786 3.231 20 5 DGBDMO Cc1cc([N+](=O)[O-])ccc1NC(=O)C[N@H+]1CCCC2(CC2)CC1 ZINC000599673761 401108526 /nfs/dbraw/zinc/10/85/26/401108526.db2.gz YBKSWFBVZWMQCO-UHFFFAOYSA-N 1 1 317.389 3.108 20 5 DGBDMO COc1ccc(C[N@@H+]2CC[C@@H](OCCC(C)C)C2)cc1[N+](=O)[O-] ZINC000083246741 401116541 /nfs/dbraw/zinc/11/65/41/401116541.db2.gz WVSCLXWVOJMSQK-OAHLLOKOSA-N 1 1 322.405 3.240 20 5 DGBDMO COc1ccc(C[N@H+]2CC[C@@H](OCCC(C)C)C2)cc1[N+](=O)[O-] ZINC000083246741 401116546 /nfs/dbraw/zinc/11/65/46/401116546.db2.gz WVSCLXWVOJMSQK-OAHLLOKOSA-N 1 1 322.405 3.240 20 5 DGBDMO CC(=O)c1cc(N[C@H]2CCC[N@H+]3CCCC[C@@H]23)ccc1[N+](=O)[O-] ZINC000594596596 401122207 /nfs/dbraw/zinc/12/22/07/401122207.db2.gz ARQIZBKHLHTRKP-RDJZCZTQSA-N 1 1 317.389 3.226 20 5 DGBDMO CC(=O)c1cc(N[C@@H]2CCC[N@H+]3CCCC[C@@H]23)ccc1[N+](=O)[O-] ZINC000594596597 401122466 /nfs/dbraw/zinc/12/24/66/401122466.db2.gz ARQIZBKHLHTRKP-WBVHZDCISA-N 1 1 317.389 3.226 20 5 DGBDMO COc1ccc(C[N@@H+]2CCC(F)(F)C[C@@H]2C)cc1[N+](=O)[O-] ZINC000599622666 401094361 /nfs/dbraw/zinc/09/43/61/401094361.db2.gz MFSUCNVATVWABW-JTQLQIEISA-N 1 1 300.305 3.223 20 5 DGBDMO COc1ccc(C[N@H+]2CCC(F)(F)C[C@@H]2C)cc1[N+](=O)[O-] ZINC000599622666 401094364 /nfs/dbraw/zinc/09/43/64/401094364.db2.gz MFSUCNVATVWABW-JTQLQIEISA-N 1 1 300.305 3.223 20 5 DGBDMO Cc1ccc([N+](=O)[O-])cc1[C@@H](C)[N@H+]1C[C@@H]2CCC[C@]2(CO)C1 ZINC000599638029 401100307 /nfs/dbraw/zinc/10/03/07/401100307.db2.gz LAQTWYNGOWGCAY-JKIFEVAISA-N 1 1 304.390 3.059 20 5 DGBDMO Cc1c[nH+]cn1CC(=O)Nc1ccc(C(C)(C)C)c([N+](=O)[O-])c1 ZINC000599917511 401160629 /nfs/dbraw/zinc/16/06/29/401160629.db2.gz RFGNIQLSLQXCBQ-UHFFFAOYSA-N 1 1 316.361 3.036 20 5 DGBDMO Cc1nc(C)c(C[N@@H+]2CCc3ccc([N+](=O)[O-])cc3C2)s1 ZINC000088606474 401205470 /nfs/dbraw/zinc/20/54/70/401205470.db2.gz HNFGWDXCMNLGNS-UHFFFAOYSA-N 1 1 303.387 3.226 20 5 DGBDMO Cc1nc(C)c(C[N@H+]2CCc3ccc([N+](=O)[O-])cc3C2)s1 ZINC000088606474 401205477 /nfs/dbraw/zinc/20/54/77/401205477.db2.gz HNFGWDXCMNLGNS-UHFFFAOYSA-N 1 1 303.387 3.226 20 5 DGBDMO CC(C)[N@@H+](CCOc1ccc([N+](=O)[O-])cc1)Cc1ccccn1 ZINC000065535570 401270254 /nfs/dbraw/zinc/27/02/54/401270254.db2.gz TXZDLDVLOBVKAN-UHFFFAOYSA-N 1 1 315.373 3.279 20 5 DGBDMO C[N@@H+](CCC(=O)Nc1ccc([N+](=O)[O-])cc1)CC1CCCC1 ZINC000064020640 401226770 /nfs/dbraw/zinc/22/67/70/401226770.db2.gz MIDXDESHNXRLPZ-UHFFFAOYSA-N 1 1 305.378 3.045 20 5 DGBDMO COc1cc([N+](=O)[O-])ccc1[C@@H](C)[NH2+]CCN1CCCCCC1 ZINC000595004476 401227229 /nfs/dbraw/zinc/22/72/29/401227229.db2.gz SOOAKCUZVWNUOF-CQSZACIVSA-N 1 1 321.421 3.130 20 5 DGBDMO Cc1cc(C)c([N+](=O)[O-])c(NCCC[N@@H+]2CCCC[C@@H]2C)n1 ZINC000359110612 286239515 /nfs/dbraw/zinc/23/95/15/286239515.db2.gz SIQGSEGJQMHOAZ-AWEZNQCLSA-N 1 1 306.410 3.283 20 5 DGBDMO CCC(=O)c1ccc(NC[C@@H]2CCC[N@H+](CC)C2)c([N+](=O)[O-])c1 ZINC000359460002 286312979 /nfs/dbraw/zinc/31/29/79/286312979.db2.gz PQIXRIWLHQEVDD-ZDUSSCGKSA-N 1 1 319.405 3.331 20 5 DGBDMO Cc1ccc([N+](=O)[O-])cc1[C@H](C)[N@H+]1CC[C@@H]2OCCC[C@H]2C1 ZINC000245517674 292296367 /nfs/dbraw/zinc/29/63/67/292296367.db2.gz HBXITKKIUVVVHM-ZQIUZPCESA-N 1 1 304.390 3.465 20 5 DGBDMO Cn1c2ccc(F)cc2[nH+]c1NCc1cccc([N+](=O)[O-])c1 ZINC000184255947 164972952 /nfs/dbraw/zinc/97/29/52/164972952.db2.gz KOLCNLHHIRHWDI-UHFFFAOYSA-N 1 1 300.293 3.233 20 5 DGBDMO CCC[N@@H+](CC)CCNC(=O)Nc1cc(C)c([N+](=O)[O-])cc1C ZINC000191359393 165246583 /nfs/dbraw/zinc/24/65/83/165246583.db2.gz ZEXRPQIBLXGUKV-UHFFFAOYSA-N 1 1 322.409 3.065 20 5 DGBDMO COC[C@H](Cc1ccccc1)[N@@H+](C)Cc1ccc([N+](=O)[O-])cc1 ZINC000191486185 165252908 /nfs/dbraw/zinc/25/29/08/165252908.db2.gz ZJZMLRNHRJRXSW-SFHVURJKSA-N 1 1 314.385 3.284 20 5 DGBDMO CC[C@H](O)[C@@H]1CCCC[N@H+]1Cc1ccc([N+](=O)[O-])cc1Cl ZINC000182182787 432163455 /nfs/dbraw/zinc/16/34/55/432163455.db2.gz OIOFAYZYUZDPFP-GJZGRUSLSA-N 1 1 312.797 3.374 20 5 DGBDMO O=[N+]([O-])c1ccc(C[N@H+]2CC[C@H]3OCCC[C@@H]3C2)c(Cl)c1 ZINC000182244884 432169442 /nfs/dbraw/zinc/16/94/42/432169442.db2.gz RZGGCDHYACOTKB-IUODEOHRSA-N 1 1 310.781 3.249 20 5 DGBDMO C[C@@H]1C[N@@H+](C[C@H](O)c2cccc([N+](=O)[O-])c2)[C@H]2CCCC[C@H]12 ZINC000182479864 432193627 /nfs/dbraw/zinc/19/36/27/432193627.db2.gz KTJAJTUUACQJMV-VZEFYGNVSA-N 1 1 304.390 3.139 20 5 DGBDMO C[N@H+](Cc1ccc(F)c(F)c1)C[C@H](O)c1cccc([N+](=O)[O-])c1 ZINC000269687471 432197218 /nfs/dbraw/zinc/19/72/18/432197218.db2.gz TYPBNEBTLXALBS-INIZCTEOSA-N 1 1 322.311 3.038 20 5 DGBDMO CC[N@@H+](CCC(=O)Nc1cc([N+](=O)[O-])ccc1C)CC(C)C ZINC000172171344 432201320 /nfs/dbraw/zinc/20/13/20/432201320.db2.gz CNJLQPRFERWMRE-UHFFFAOYSA-N 1 1 307.394 3.210 20 5 DGBDMO O=[N+]([O-])c1ccc(OC2CC[NH+](Cc3cncs3)CC2)cc1 ZINC000130725287 196104384 /nfs/dbraw/zinc/10/43/84/196104384.db2.gz LGCCHPWUZRLDDT-UHFFFAOYSA-N 1 1 319.386 3.095 20 5 DGBDMO O=[N+]([O-])c1cccc(C[NH2+][C@H]2CCOc3c(F)cccc32)c1 ZINC000191124871 432222867 /nfs/dbraw/zinc/22/28/67/432222867.db2.gz YQBAZFREDSILEG-HNNXBMFYSA-N 1 1 302.305 3.347 20 5 DGBDMO Cc1ccc(C[N@@H+]2CC3(CCC3)[C@H]2[C@H]2CCCO2)cc1[N+](=O)[O-] ZINC000290993517 222054858 /nfs/dbraw/zinc/05/48/58/222054858.db2.gz VLJWCFGGCYAVCW-IAGOWNOFSA-N 1 1 316.401 3.437 20 5 DGBDMO Cc1ccc(C[N@H+]2CC3(CCC3)[C@H]2[C@H]2CCCO2)cc1[N+](=O)[O-] ZINC000290993517 222054865 /nfs/dbraw/zinc/05/48/65/222054865.db2.gz VLJWCFGGCYAVCW-IAGOWNOFSA-N 1 1 316.401 3.437 20 5 DGBDMO Cc1c(C[N@@H+]2CCOC3(CCCCC3)C2)cccc1[N+](=O)[O-] ZINC000173852257 228285241 /nfs/dbraw/zinc/28/52/41/228285241.db2.gz QZYBFHYSQSDFHF-UHFFFAOYSA-N 1 1 304.390 3.438 20 5 DGBDMO Cc1c(C[N@H+]2CCOC3(CCCCC3)C2)cccc1[N+](=O)[O-] ZINC000173852257 228285243 /nfs/dbraw/zinc/28/52/43/228285243.db2.gz QZYBFHYSQSDFHF-UHFFFAOYSA-N 1 1 304.390 3.438 20 5 DGBDMO Cc1cc(NC[C@H](C2CC2)[NH+](C)C)c2cc([N+](=O)[O-])ccc2n1 ZINC000302147772 230123894 /nfs/dbraw/zinc/12/38/94/230123894.db2.gz GZZYRHIDIBUZJY-QGZVFWFLSA-N 1 1 314.389 3.204 20 5 DGBDMO C[C@H](CNc1nccc2ccc([N+](=O)[O-])cc21)[N@@H+](C)C1CC1 ZINC000413119511 230135629 /nfs/dbraw/zinc/13/56/29/230135629.db2.gz OKORYEJGLSIYBG-LLVKDONJSA-N 1 1 300.362 3.038 20 5 DGBDMO O=[N+]([O-])c1cnc(NC[C@H]2CCC[N@H+]2C2CCCCC2)c(F)c1 ZINC000413265667 230173014 /nfs/dbraw/zinc/17/30/14/230173014.db2.gz JROHFLKBLQYTAJ-CYBMUJFWSA-N 1 1 322.384 3.338 20 5 DGBDMO Cc1cccc([N+](=O)[O-])c1NCCc1cn2c([nH+]1)CCCC2 ZINC000302610521 230316876 /nfs/dbraw/zinc/31/68/76/230316876.db2.gz BKXOAZRRVGFRFK-UHFFFAOYSA-N 1 1 300.362 3.091 20 5 DGBDMO CN(Cc1ccc(-c2cccc([N+](=O)[O-])c2)o1)CC(C)(C)C[NH3+] ZINC000346636807 264070318 /nfs/dbraw/zinc/07/03/18/264070318.db2.gz HZNNRXRKOBLDQB-UHFFFAOYSA-N 1 1 317.389 3.272 20 5 DGBDMO CC(C)([NH2+]Cc1ccn(C(F)F)n1)c1ccc([N+](=O)[O-])cc1 ZINC000346674197 264077923 /nfs/dbraw/zinc/07/79/23/264077923.db2.gz UQLXVUWVAJVSTR-UHFFFAOYSA-N 1 1 310.304 3.211 20 5 DGBDMO COc1cc([N+](=O)[O-])ccc1C[N@@H+]1CCC[C@H]1c1cccnc1 ZINC000346967028 264129223 /nfs/dbraw/zinc/12/92/23/264129223.db2.gz DBLLWRJXJJBDND-INIZCTEOSA-N 1 1 313.357 3.336 20 5 DGBDMO COc1cc([N+](=O)[O-])ccc1C[N@H+]1CCC[C@H]1c1cccnc1 ZINC000346967028 264129225 /nfs/dbraw/zinc/12/92/25/264129225.db2.gz DBLLWRJXJJBDND-INIZCTEOSA-N 1 1 313.357 3.336 20 5 DGBDMO CC[C@@H](CO)[N@@H+](Cc1ccccc1)Cc1ccccc1[N+](=O)[O-] ZINC000347347728 264202605 /nfs/dbraw/zinc/20/26/05/264202605.db2.gz NZZVLNSQIYEZFU-KRWDZBQOSA-N 1 1 314.385 3.368 20 5 DGBDMO C/C(=C/c1cccc([N+](=O)[O-])c1)C[N@@H+](C)CC[C@@H]1CCCO1 ZINC000347376604 264209857 /nfs/dbraw/zinc/20/98/57/264209857.db2.gz OJHYWMXRQCUUOQ-IFCKCIONSA-N 1 1 304.390 3.499 20 5 DGBDMO COc1ccc(C[N@@H+]2CC[C@@H](C(F)(F)F)[C@@H]2C)cc1[N+](=O)[O-] ZINC000348240877 264371888 /nfs/dbraw/zinc/37/18/88/264371888.db2.gz CCPOCGZRTLIFON-GXSJLCMTSA-N 1 1 318.295 3.376 20 5 DGBDMO COc1ccc(C[N@H+]2CC[C@@H](C(F)(F)F)[C@@H]2C)cc1[N+](=O)[O-] ZINC000348240877 264371890 /nfs/dbraw/zinc/37/18/90/264371890.db2.gz CCPOCGZRTLIFON-GXSJLCMTSA-N 1 1 318.295 3.376 20 5 DGBDMO O=[N+]([O-])c1ccc(CCCCNc2[nH+]cnc3[nH]ccc32)cc1 ZINC000352358728 265014707 /nfs/dbraw/zinc/01/47/07/265014707.db2.gz XELHRQHTICUWCP-UHFFFAOYSA-N 1 1 311.345 3.253 20 5 DGBDMO O=[N+]([O-])c1cc(Cl)ccc1C[N@@H+]1CC[C@@H](COC(F)F)C1 ZINC000353024745 265269460 /nfs/dbraw/zinc/26/94/60/265269460.db2.gz PNJBLXKKGVITDF-SECBINFHSA-N 1 1 320.723 3.309 20 5 DGBDMO O=[N+]([O-])c1cc(Cl)ccc1C[N@H+]1CC[C@@H](COC(F)F)C1 ZINC000353024745 265269466 /nfs/dbraw/zinc/26/94/66/265269466.db2.gz PNJBLXKKGVITDF-SECBINFHSA-N 1 1 320.723 3.309 20 5 DGBDMO COCc1nc(C[NH2+]C/C=C\c2ccccc2[N+](=O)[O-])cs1 ZINC000353192736 265337182 /nfs/dbraw/zinc/33/71/82/265337182.db2.gz QUDKAPNFBAXBLD-XQRVVYSFSA-N 1 1 319.386 3.001 20 5 DGBDMO CCC[N@@H+](CC)C[C@H](C)NC(=O)Nc1ccc([N+](=O)[O-])c(C)c1 ZINC000353298425 265379980 /nfs/dbraw/zinc/37/99/80/265379980.db2.gz JGPFBCBLURMIOH-ZDUSSCGKSA-N 1 1 322.409 3.145 20 5 DGBDMO Cc1ccc([N+](=O)[O-])cc1[C@H](C)N(C)C[C@@H]1CCC[N@@H+](C)C1 ZINC000182806625 432229941 /nfs/dbraw/zinc/22/99/41/432229941.db2.gz TZKFFRQCUOWQMY-LSDHHAIUSA-N 1 1 305.422 3.238 20 5 DGBDMO Cc1ccc([N+](=O)[O-])cc1[C@H](C)[N@H+](C)C[C@@H]1CCCN(C)C1 ZINC000182806625 432229957 /nfs/dbraw/zinc/22/99/57/432229957.db2.gz TZKFFRQCUOWQMY-LSDHHAIUSA-N 1 1 305.422 3.238 20 5 DGBDMO Cc1ccc([N+](=O)[O-])cc1[C@H](C)[N@@H+](C)C[C@@H]1CCCN(C)C1 ZINC000182806625 432229959 /nfs/dbraw/zinc/22/99/59/432229959.db2.gz TZKFFRQCUOWQMY-LSDHHAIUSA-N 1 1 305.422 3.238 20 5 DGBDMO COc1ccc([N+](=O)[O-])cc1C[N@@H+](C[C@@H](C)O)C1CCCCC1 ZINC000355396517 266062696 /nfs/dbraw/zinc/06/26/96/266062696.db2.gz YOQXSOPPLLUWLQ-CYBMUJFWSA-N 1 1 322.405 3.119 20 5 DGBDMO Cc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@@H+]1CCC[C@@H](C)[C@@H]1C ZINC000172859407 432240002 /nfs/dbraw/zinc/24/00/02/432240002.db2.gz XSYGAJMXPPUFCU-OCCSQVGLSA-N 1 1 319.405 3.352 20 5 DGBDMO COc1cccc2c1CC[N@H+](Cc1cccc([N+](=O)[O-])c1C)C2 ZINC000359884902 271007961 /nfs/dbraw/zinc/00/79/61/271007961.db2.gz OHLCEOAEGSHXQJ-UHFFFAOYSA-N 1 1 312.369 3.470 20 5 DGBDMO COc1cccc2c1CC[N@@H+](Cc1cccc([N+](=O)[O-])c1C)C2 ZINC000359884902 271007964 /nfs/dbraw/zinc/00/79/64/271007964.db2.gz OHLCEOAEGSHXQJ-UHFFFAOYSA-N 1 1 312.369 3.470 20 5 DGBDMO Cc1cc(N2CCC[C@@H](c3[nH+]ccn3C)C2)ccc1[N+](=O)[O-] ZINC000369357000 271266050 /nfs/dbraw/zinc/26/60/50/271266050.db2.gz DYJPJUVQHQDMOA-CYBMUJFWSA-N 1 1 300.362 3.021 20 5 DGBDMO C[C@@H]1CCC[N@@H+](Cc2nnc(-c3ccc([N+](=O)[O-])cc3)o2)[C@@H]1C ZINC000172987106 432250929 /nfs/dbraw/zinc/25/09/29/432250929.db2.gz QZWUJVGIROXAEE-VXGBXAGGSA-N 1 1 316.361 3.265 20 5 DGBDMO COCC[N@@H+](Cc1cc([N+](=O)[O-])ccc1C(F)(F)F)C1CC1 ZINC000338910075 274024995 /nfs/dbraw/zinc/02/49/95/274024995.db2.gz AVWJHQGNHDPZAW-UHFFFAOYSA-N 1 1 318.295 3.224 20 5 DGBDMO O=[N+]([O-])c1cccc(Cl)c1N1CC[NH+](C2CCCC2)CC1 ZINC000432312107 275039486 /nfs/dbraw/zinc/03/94/86/275039486.db2.gz HYPHFQUNQWSVIN-UHFFFAOYSA-N 1 1 309.797 3.313 20 5 DGBDMO CC(C)[C@@H]([NH2+]Cc1c([N+](=O)[O-])ncn1C)c1ccccc1Cl ZINC000341865658 275675065 /nfs/dbraw/zinc/67/50/65/275675065.db2.gz JNQZNDKSXJWHIK-CQSZACIVSA-N 1 1 322.796 3.469 20 5 DGBDMO CC(C)c1ccc(C[N@@H+](CC(C)(C)O)C2CC2)cc1[N+](=O)[O-] ZINC000189941129 276052582 /nfs/dbraw/zinc/05/25/82/276052582.db2.gz KOMCZUQBUWPYMS-UHFFFAOYSA-N 1 1 306.406 3.454 20 5 DGBDMO CCCO[C@H]1CCC[N@@H+](CCc2ccc([N+](=O)[O-])cc2)CC1 ZINC000108398824 431139690 /nfs/dbraw/zinc/13/96/90/431139690.db2.gz XCICXFPUTLFTAW-KRWDZBQOSA-N 1 1 306.406 3.418 20 5 DGBDMO O=[N+]([O-])c1cc(F)ccc1N[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000068836823 431142984 /nfs/dbraw/zinc/14/29/84/431142984.db2.gz HGDPTXGIADZPLO-OAHLLOKOSA-N 1 1 315.348 3.420 20 5 DGBDMO C[C@@H]1CCC[N@@H+](CCC(=O)Nc2ccc([N+](=O)[O-])cc2)CC1 ZINC000068838150 431143612 /nfs/dbraw/zinc/14/36/12/431143612.db2.gz YWGKAKCYIXYTRS-CYBMUJFWSA-N 1 1 305.378 3.045 20 5 DGBDMO C[C@H]1CCC[N@@H+](Cc2nc(-c3cccc([N+](=O)[O-])c3)no2)CC1 ZINC000068828931 431143631 /nfs/dbraw/zinc/14/36/31/431143631.db2.gz JOFGSGZPHBALDH-LBPRGKRZSA-N 1 1 316.361 3.267 20 5 DGBDMO CC[N@@H+](CCC(=O)Nc1ccc([N+](=O)[O-])cc1C)CC(C)C ZINC000114725418 431409054 /nfs/dbraw/zinc/40/90/54/431409054.db2.gz SIGGRROMCZYRKI-UHFFFAOYSA-N 1 1 307.394 3.210 20 5 DGBDMO COc1ccc(C[N@H+]2CCS[C@@H](C(C)C)C2)cc1[N+](=O)[O-] ZINC000076066832 431519374 /nfs/dbraw/zinc/51/93/74/431519374.db2.gz OMIUIZGLAFHJEX-OAHLLOKOSA-N 1 1 310.419 3.177 20 5 DGBDMO CC[C@@H]1CCC[N@H+](CC(=O)Nc2c(C)cccc2[N+](=O)[O-])CC1 ZINC000117344858 431556169 /nfs/dbraw/zinc/55/61/69/431556169.db2.gz ADPDXFRMENNGSW-CQSZACIVSA-N 1 1 319.405 3.354 20 5 DGBDMO CC[C@@H]1CCC[N@@H+](CC(=O)Nc2c(C)cccc2[N+](=O)[O-])CC1 ZINC000117344858 431556178 /nfs/dbraw/zinc/55/61/78/431556178.db2.gz ADPDXFRMENNGSW-CQSZACIVSA-N 1 1 319.405 3.354 20 5 DGBDMO CC(C)[C@H]1CCCC[N@H+]1CC(=O)N(C)c1ccc([N+](=O)[O-])cc1 ZINC000117349780 431560029 /nfs/dbraw/zinc/56/00/29/431560029.db2.gz IOIVLCMORLSZBP-MRXNPFEDSA-N 1 1 319.405 3.068 20 5 DGBDMO O=[N+]([O-])c1cc2ccccc2nc1N1CCC[C@H](c2[nH]cc[nH+]2)C1 ZINC000276616781 280361873 /nfs/dbraw/zinc/36/18/73/280361873.db2.gz MGFAHBKMGZCGFT-ZDUSSCGKSA-N 1 1 323.356 3.250 20 5 DGBDMO O=[N+]([O-])c1ccccc1C[N@H+]1CC2(CCC2)[C@H]1C1CCOCC1 ZINC000425370794 280374341 /nfs/dbraw/zinc/37/43/41/280374341.db2.gz KGYITASYSINNSB-QGZVFWFLSA-N 1 1 316.401 3.376 20 5 DGBDMO C[C@@H]1C[C@@H](C)CC[N@H+]1Cc1nc(-c2ccc([N+](=O)[O-])cc2)no1 ZINC000077318821 431580427 /nfs/dbraw/zinc/58/04/27/431580427.db2.gz HIFCBHZJUGZYCA-NWDGAFQWSA-N 1 1 316.361 3.265 20 5 DGBDMO C[C@@H]1C[C@@H](C)CC[N@H+]1Cc1nc(-c2cccc([N+](=O)[O-])c2)no1 ZINC000119159932 431653199 /nfs/dbraw/zinc/65/31/99/431653199.db2.gz NXHXKYWKKFTWOZ-NWDGAFQWSA-N 1 1 316.361 3.265 20 5 DGBDMO C[C@H]1CCC[C@@H]([N@@H+](C)Cc2cc([N+](=O)[O-])cc3c2OCOC3)C1 ZINC000026469756 431676599 /nfs/dbraw/zinc/67/65/99/431676599.db2.gz OTOKBEQAUUECMH-SWLSCSKDSA-N 1 1 320.389 3.472 20 5 DGBDMO COc1ccc(C[N@@H+](Cc2ccc([N+](=O)[O-])cc2)C(C)C)cn1 ZINC000085788179 431841567 /nfs/dbraw/zinc/84/15/67/431841567.db2.gz PBPFUIHYUKRBBL-UHFFFAOYSA-N 1 1 315.373 3.409 20 5 DGBDMO O=[N+]([O-])c1cccc(-c2noc(C[N@H+]3CCC4(CCC4)C3)n2)c1 ZINC000123052094 431853662 /nfs/dbraw/zinc/85/36/62/431853662.db2.gz DOLHTBVHWWXZSJ-UHFFFAOYSA-N 1 1 314.345 3.021 20 5 DGBDMO C[NH+](C)CCCC1CCN(Cc2ccc([N+](=O)[O-])cc2F)CC1 ZINC000123291396 431861003 /nfs/dbraw/zinc/86/10/03/431861003.db2.gz AZQDSTZCXJXYIG-UHFFFAOYSA-N 1 1 323.412 3.288 20 5 DGBDMO O=[N+]([O-])c1cccc(N2CC[NH+](Cc3ccc(F)cc3)CC2)c1 ZINC000047745395 431915669 /nfs/dbraw/zinc/91/56/69/431915669.db2.gz RCTDOVIXWKFDTM-UHFFFAOYSA-N 1 1 315.348 3.056 20 5 DGBDMO C[C@@H](O)C[C@@H]1CCCC[N@H+]1Cc1ccc([N+](=O)[O-])cc1Cl ZINC000123823069 431875301 /nfs/dbraw/zinc/87/53/01/431875301.db2.gz RCMANENCELSSPA-YPMHNXCESA-N 1 1 312.797 3.374 20 5 DGBDMO CCOCC[N@H+](CC)Cc1coc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000089896794 431884525 /nfs/dbraw/zinc/88/45/25/431884525.db2.gz ZYNDCCBQNHTZRP-UHFFFAOYSA-N 1 1 319.361 3.108 20 5 DGBDMO CCOCC[N@@H+](CC)Cc1coc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000089896794 431884527 /nfs/dbraw/zinc/88/45/27/431884527.db2.gz ZYNDCCBQNHTZRP-UHFFFAOYSA-N 1 1 319.361 3.108 20 5 DGBDMO Cc1ccc([C@H](C)NC[C@@H]2CC[N@@H+](C3CC3)C2)cc1[N+](=O)[O-] ZINC000124362132 431891739 /nfs/dbraw/zinc/89/17/39/431891739.db2.gz LPVRNZOOMZMZJX-KBPBESRZSA-N 1 1 303.406 3.038 20 5 DGBDMO Cc1ccc([C@H](C)NC[C@@H]2CC[N@H+](C3CC3)C2)cc1[N+](=O)[O-] ZINC000124362132 431891740 /nfs/dbraw/zinc/89/17/40/431891740.db2.gz LPVRNZOOMZMZJX-KBPBESRZSA-N 1 1 303.406 3.038 20 5 DGBDMO COC(=O)c1ccc(C[N@@H+](C)Cc2ccc([N+](=O)[O-])cc2)cc1 ZINC000046517815 431898531 /nfs/dbraw/zinc/89/85/31/431898531.db2.gz JHSFBOVOZDJCNV-UHFFFAOYSA-N 1 1 314.341 3.013 20 5 DGBDMO O=[N+]([O-])c1ccccc1OCC[N@@H+](Cc1cccnc1)C1CC1 ZINC000124701795 431901413 /nfs/dbraw/zinc/90/14/13/431901413.db2.gz SKJDUMNFPFZWKW-UHFFFAOYSA-N 1 1 313.357 3.033 20 5 DGBDMO CC[C@@H]1COCC[N@@H+]1Cc1ccc(-c2ccccc2[N+](=O)[O-])o1 ZINC000091980925 431906983 /nfs/dbraw/zinc/90/69/83/431906983.db2.gz XFSPLSNXCVSMAM-CYBMUJFWSA-N 1 1 316.357 3.466 20 5 DGBDMO CC[C@@H]1COCC[N@H+]1Cc1ccc(-c2ccccc2[N+](=O)[O-])o1 ZINC000091980925 431906985 /nfs/dbraw/zinc/90/69/85/431906985.db2.gz XFSPLSNXCVSMAM-CYBMUJFWSA-N 1 1 316.357 3.466 20 5 DGBDMO CC(C)[N@H+]1CC[C@@H](CNCc2ccc([N+](=O)[O-])cc2Cl)C1 ZINC000049963834 431945328 /nfs/dbraw/zinc/94/53/28/431945328.db2.gz ALOWVJMLTLNUTQ-LBPRGKRZSA-N 1 1 311.813 3.068 20 5 DGBDMO CC[C@H]1CCC[N@@H+](Cc2nc(-c3ccc([N+](=O)[O-])cc3)no2)C1 ZINC000052644356 431957356 /nfs/dbraw/zinc/95/73/56/431957356.db2.gz WEJZSLORFSKXTB-LBPRGKRZSA-N 1 1 316.361 3.267 20 5 DGBDMO CCC[N@H+](Cc1cc([N+](=O)[O-])cc2c1OCOC2)CC1CC1 ZINC000052890880 431959746 /nfs/dbraw/zinc/95/97/46/431959746.db2.gz DUZJAAZKYRNZPC-UHFFFAOYSA-N 1 1 306.362 3.083 20 5 DGBDMO Cc1ccc([N+](=O)[O-])cc1[C@@H](C)[N@H+]1CC[C@H](c2cnn(C)c2)C1 ZINC000182794393 281020351 /nfs/dbraw/zinc/02/03/51/281020351.db2.gz WVSUUZPVYSVWNO-KGLIPLIRSA-N 1 1 314.389 3.187 20 5 DGBDMO CC[N@@H+](CCC(=O)Nc1cc([N+](=O)[O-])ccc1F)CC(C)C ZINC000128272241 431991287 /nfs/dbraw/zinc/99/12/87/431991287.db2.gz BPEGIUJIZWUVAA-UHFFFAOYSA-N 1 1 311.357 3.040 20 5 DGBDMO Cc1ccc2nc(C[NH2+][C@H](C)c3cccc([N+](=O)[O-])c3)cn2c1 ZINC000173386966 432275169 /nfs/dbraw/zinc/27/51/69/432275169.db2.gz CGUMRRKIRMKGQP-CYBMUJFWSA-N 1 1 310.357 3.402 20 5 DGBDMO Cc1c([C@@H](C)N[C@@H](C)C[NH+]2CCCCC2)cccc1[N+](=O)[O-] ZINC000151863142 432283615 /nfs/dbraw/zinc/28/36/15/432283615.db2.gz GFUCBUFJDNCJQF-DZGCQCFKSA-N 1 1 305.422 3.428 20 5 DGBDMO Cc1c([C@H](C)N[C@@H](C)C[NH+]2CCCCC2)cccc1[N+](=O)[O-] ZINC000151863222 432283659 /nfs/dbraw/zinc/28/36/59/432283659.db2.gz GFUCBUFJDNCJQF-ZFWWWQNUSA-N 1 1 305.422 3.428 20 5 DGBDMO C[C@H](C(=O)Nc1ccccc1[N+](=O)[O-])[N@H+]1CCCC[C@@H](C)C1 ZINC000248587109 432302647 /nfs/dbraw/zinc/30/26/47/432302647.db2.gz YAYILPBVFDFVRY-CHWSQXEVSA-N 1 1 305.378 3.044 20 5 DGBDMO CN(Cc1ccc(Cl)cc1[N+](=O)[O-])C[C@@H]1CCC[N@@H+](C)C1 ZINC000152449667 432333971 /nfs/dbraw/zinc/33/39/71/432333971.db2.gz QBAZFDUGMLGDHW-GFCCVEGCSA-N 1 1 311.813 3.022 20 5 DGBDMO CCC[N@@H+]1CC[C@@H](CN[C@H]2CCCc3ccc([N+](=O)[O-])cc32)C1 ZINC000249060410 432336142 /nfs/dbraw/zinc/33/61/42/432336142.db2.gz ZVVNQBWJLWCNMK-KSSFIOAISA-N 1 1 317.433 3.294 20 5 DGBDMO CCC[N@H+]1CC[C@@H](CN[C@H]2CCCc3ccc([N+](=O)[O-])cc32)C1 ZINC000249060410 432336144 /nfs/dbraw/zinc/33/61/44/432336144.db2.gz ZVVNQBWJLWCNMK-KSSFIOAISA-N 1 1 317.433 3.294 20 5 DGBDMO Cc1nccn1CCC[N@H+](C)[C@@H](C)c1ccccc1[N+](=O)[O-] ZINC000271004697 432314633 /nfs/dbraw/zinc/31/46/33/432314633.db2.gz KXVIMJYSQOFDSQ-ZDUSSCGKSA-N 1 1 302.378 3.183 20 5 DGBDMO O=[N+]([O-])c1cnn(CC[N@H+]2CCCCC[C@H]2c2ccccc2)c1 ZINC000174823502 432373590 /nfs/dbraw/zinc/37/35/90/432373590.db2.gz OTYCGFZFQHFTRT-KRWDZBQOSA-N 1 1 314.389 3.409 20 5 DGBDMO Cc1cccc([C@@H]2CCC[N@H+]2CCn2cc([N+](=O)[O-])cn2)c1C ZINC000174873320 432375093 /nfs/dbraw/zinc/37/50/93/432375093.db2.gz CCGHBUZQLBDZIE-KRWDZBQOSA-N 1 1 314.389 3.245 20 5 DGBDMO C[C@H]1C[C@@H](c2ccccc2F)[N@@H+](CCn2cc([N+](=O)[O-])cn2)C1 ZINC000174878269 432376920 /nfs/dbraw/zinc/37/69/20/432376920.db2.gz ATFGGHQBXOGDNK-LRDDRELGSA-N 1 1 318.352 3.014 20 5 DGBDMO COc1ccc([N+](=O)[O-])cc1C[NH2+][C@H](C)c1cncc(C)c1 ZINC000184344045 432381005 /nfs/dbraw/zinc/38/10/05/432381005.db2.gz VOUDLUKVUYSMFB-GFCCVEGCSA-N 1 1 301.346 3.158 20 5 DGBDMO O=[N+]([O-])c1ccc(N[C@@H]2CC[N@H+]3CCCC[C@@H]23)c2ncccc12 ZINC000271380384 432384201 /nfs/dbraw/zinc/38/42/01/432384201.db2.gz XFVMODYXIUHGAJ-CJNGLKHVSA-N 1 1 312.373 3.182 20 5 DGBDMO CC[C@@H]1CC[C@@H](C)[N@H+]1Cc1nnc(-c2ccc([N+](=O)[O-])cc2)o1 ZINC000271438277 432395820 /nfs/dbraw/zinc/39/58/20/432395820.db2.gz BPDQRMQRFBZNIO-DGCLKSJQSA-N 1 1 316.361 3.408 20 5 DGBDMO O=[N+]([O-])c1ccccc1/C=C/C[N@H+]1CCC2(C1)CCOCC2 ZINC000271232174 432359500 /nfs/dbraw/zinc/35/95/00/432359500.db2.gz UXQBLKCRRGVHDB-HWKANZROSA-N 1 1 302.374 3.111 20 5 DGBDMO COc1ccc(C[NH2+][C@H](C)c2ccc(C)c([N+](=O)[O-])c2)nc1 ZINC000272087265 432441868 /nfs/dbraw/zinc/44/18/68/432441868.db2.gz XHHZGCUFDMYHSK-GFCCVEGCSA-N 1 1 301.346 3.158 20 5 DGBDMO CC[N@@H+](CC(C)C)[C@H](C)C(=O)Nc1cccc([N+](=O)[O-])c1C ZINC000153770542 432441961 /nfs/dbraw/zinc/44/19/61/432441961.db2.gz GEHWLLTXWUCHGD-CYBMUJFWSA-N 1 1 307.394 3.208 20 5 DGBDMO COc1ccc(C[NH2+][C@@H](C)c2ccc(C)c([N+](=O)[O-])c2)nc1 ZINC000272087272 432442084 /nfs/dbraw/zinc/44/20/84/432442084.db2.gz XHHZGCUFDMYHSK-LBPRGKRZSA-N 1 1 301.346 3.158 20 5 DGBDMO O=[N+]([O-])c1cccc(C[N@@H+](CCO[C@H]2CCCCO2)C2CC2)c1 ZINC000193068277 432446176 /nfs/dbraw/zinc/44/61/76/432446176.db2.gz VNODUYFMSDAGMV-KRWDZBQOSA-N 1 1 320.389 3.102 20 5 DGBDMO COc1cccc2c1CC[N@@H+](Cc1ccc([N+](=O)[O-])cc1)CC2 ZINC000193713248 432492911 /nfs/dbraw/zinc/49/29/11/432492911.db2.gz ODKLXTXFXPUGNG-UHFFFAOYSA-N 1 1 312.369 3.204 20 5 DGBDMO CC[N@@H+](CCn1ccc([N+](=O)[O-])n1)Cc1ccc(Cl)s1 ZINC000176195407 432499688 /nfs/dbraw/zinc/49/96/88/432499688.db2.gz NWFLGTAJAYQLHF-UHFFFAOYSA-N 1 1 314.798 3.028 20 5 DGBDMO O=[N+]([O-])c1ccn(CC[N@H+]2CCCCC[C@@H]2c2ccco2)n1 ZINC000176249719 432504875 /nfs/dbraw/zinc/50/48/75/432504875.db2.gz NZKYXHDKYGIGLQ-CYBMUJFWSA-N 1 1 304.350 3.002 20 5 DGBDMO CC[C@H](Cc1ccc(C)cc1)[N@@H+](C)CCn1ccc([N+](=O)[O-])n1 ZINC000176269850 432505427 /nfs/dbraw/zinc/50/54/27/432505427.db2.gz XVTSVGCDSSPJCU-MRXNPFEDSA-N 1 1 316.405 3.053 20 5 DGBDMO C[C@@H]1C[C@@H](c2cccc(F)c2)[N@@H+](CCn2ccc([N+](=O)[O-])n2)C1 ZINC000176269367 432505922 /nfs/dbraw/zinc/50/59/22/432505922.db2.gz MOMASXRFQSDJNW-DOMZBBRYSA-N 1 1 318.352 3.014 20 5 DGBDMO Cc1cccc([C@H]2CCC[N@H+]2CCn2ccc([N+](=O)[O-])n2)c1C ZINC000176261853 432506306 /nfs/dbraw/zinc/50/63/06/432506306.db2.gz DDQWLFADYPIAFL-MRXNPFEDSA-N 1 1 314.389 3.245 20 5 DGBDMO O=[N+]([O-])c1ccc(OCC[N@H+]2CCC[C@H]2c2ccncc2)cc1 ZINC000153997826 432462100 /nfs/dbraw/zinc/46/21/00/432462100.db2.gz UEDRZQSMEMQCTA-KRWDZBQOSA-N 1 1 313.357 3.206 20 5 DGBDMO O=[N+]([O-])c1cc(C[N@H+]2CC[C@@H]3OCCC[C@@H]3C2)ccc1Cl ZINC000155476379 432557482 /nfs/dbraw/zinc/55/74/82/432557482.db2.gz QEXDYCXNUHICPV-DOMZBBRYSA-N 1 1 310.781 3.249 20 5 DGBDMO C[N@@H+](Cc1nc(-c2cccc([N+](=O)[O-])c2)no1)CC(C)(C)C ZINC000263795938 432578498 /nfs/dbraw/zinc/57/84/98/432578498.db2.gz OZCVWRYXJUXUBM-UHFFFAOYSA-N 1 1 304.350 3.123 20 5 DGBDMO O=[N+]([O-])c1cccc(CNc2cc[nH+]cc2Br)c1 ZINC000159003199 432666116 /nfs/dbraw/zinc/66/61/16/432666116.db2.gz SQZUGRLYMBWLPX-UHFFFAOYSA-N 1 1 308.135 3.364 20 5 DGBDMO CC[C@@H](C)C[N@@H+](CC)CC(=O)Nc1ccc([N+](=O)[O-])cc1C ZINC000177859007 432668233 /nfs/dbraw/zinc/66/82/33/432668233.db2.gz BRWVHHNADHSZTP-GFCCVEGCSA-N 1 1 307.394 3.210 20 5 DGBDMO Cc1ccc([N+](=O)[O-])c(NCCCC[N@@H+]2CCC[C@H](C)C2)n1 ZINC000178173297 432702643 /nfs/dbraw/zinc/70/26/43/432702643.db2.gz FTLRPXRVICYINY-ZDUSSCGKSA-N 1 1 306.410 3.222 20 5 DGBDMO Cc1ccc2c(c1)nc(C[NH2+]Cc1ccc([N+](=O)[O-])cc1)n2C ZINC000187576323 432671025 /nfs/dbraw/zinc/67/10/25/432671025.db2.gz NNBVIYKUTUUAEZ-UHFFFAOYSA-N 1 1 310.357 3.080 20 5 DGBDMO C[C@@H](c1nnc(-c2ccc([N+](=O)[O-])cc2)o1)[N@H+]1CC[C@@H](C)[C@H]1C ZINC000177911340 432673325 /nfs/dbraw/zinc/67/33/25/432673325.db2.gz KPFUVMQPNUPCGJ-UTUOFQBUSA-N 1 1 316.361 3.436 20 5 DGBDMO O=[N+]([O-])c1ccc(C[NH+]2CCC([C@H]3CCCO3)CC2)c(F)c1 ZINC000275873705 432756904 /nfs/dbraw/zinc/75/69/04/432756904.db2.gz OSMRZFXTSULDHL-MRXNPFEDSA-N 1 1 308.353 3.125 20 5 DGBDMO Cc1cc([N+](=O)[O-])ccc1NC(=O)C[N@H+](C)[C@@H]1CCC[C@@H](C)C1 ZINC000245448162 432831781 /nfs/dbraw/zinc/83/17/81/432831781.db2.gz MQFOVDRXUHASSV-TZMCWYRMSA-N 1 1 319.405 3.352 20 5 DGBDMO C[C@@H](N[C@@H](C)C[N@H+]1CCC[C@@H](C)C1)c1cccc([N+](=O)[O-])c1 ZINC000245455114 432832991 /nfs/dbraw/zinc/83/29/91/432832991.db2.gz HUHWILZLTOHHGR-QLFBSQMISA-N 1 1 305.422 3.366 20 5 DGBDMO C[C@@H]([NH2+][C@@H](C)CN1CCC[C@@H](C)C1)c1cccc([N+](=O)[O-])c1 ZINC000245455114 432832993 /nfs/dbraw/zinc/83/29/93/432832993.db2.gz HUHWILZLTOHHGR-QLFBSQMISA-N 1 1 305.422 3.366 20 5 DGBDMO Cc1ccc(NC(=O)c2sccc2C[NH+](C)C)cc1[N+](=O)[O-] ZINC000268023838 432838318 /nfs/dbraw/zinc/83/83/18/432838318.db2.gz JWZYMYYZSKJSCX-UHFFFAOYSA-N 1 1 319.386 3.279 20 5 DGBDMO C[C@H]([NH2+]C1CCN(C2CCC2)CC1)c1cccc([N+](=O)[O-])c1 ZINC000266899116 432795185 /nfs/dbraw/zinc/79/51/85/432795185.db2.gz SZBIQVZPCARKFC-ZDUSSCGKSA-N 1 1 303.406 3.262 20 5 DGBDMO CC(=O)c1ccc(NC[C@@H]2CC[N@H+](CC(C)C)C2)c([N+](=O)[O-])c1 ZINC000268278623 432860868 /nfs/dbraw/zinc/86/08/68/432860868.db2.gz VWHAZVQBXHRMOT-AWEZNQCLSA-N 1 1 319.405 3.187 20 5 DGBDMO Cc1ccc([N+](=O)[O-])cc1[C@@H](C)[N@H+]1CC[C@@H](c2cnn(C)c2)C1 ZINC000245535913 432840101 /nfs/dbraw/zinc/84/01/01/432840101.db2.gz WVSUUZPVYSVWNO-ZIAGYGMSSA-N 1 1 314.389 3.187 20 5 DGBDMO CC[C@@H]1CC[C@H](C)[N@H+]1CC(=O)Nc1c(C)cccc1[N+](=O)[O-] ZINC000330654993 432922913 /nfs/dbraw/zinc/92/29/13/432922913.db2.gz MHONSHHZTGGOTO-QWHCGFSZSA-N 1 1 305.378 3.105 20 5 DGBDMO Cc1cccc([N+](=O)[O-])c1NC(=O)C[N@H+](C)[C@H]1CCCC[C@@H]1C ZINC000330657431 432923050 /nfs/dbraw/zinc/92/30/50/432923050.db2.gz OIHQQEUHFMMHGH-JSGCOSHPSA-N 1 1 319.405 3.352 20 5 DGBDMO CC[C@@H]1CC[C@H](C)[N@H+]1CC(=O)Nc1ccc([N+](=O)[O-])cc1C ZINC000330663201 432923707 /nfs/dbraw/zinc/92/37/07/432923707.db2.gz SSOVXCPFLHQDAJ-QWHCGFSZSA-N 1 1 305.378 3.105 20 5 DGBDMO O=[N+]([O-])c1cc(C[N@H+]2CCC[C@H](C3CC3)C2)c2c(c1)COCO2 ZINC000289163371 432928602 /nfs/dbraw/zinc/92/86/02/432928602.db2.gz DTBPYDODMHMQTD-ZDUSSCGKSA-N 1 1 318.373 3.083 20 5 DGBDMO C[C@@H]1C[C@@H](c2ccccc2)[C@@H](C)[N@H+]1CCn1ccc([N+](=O)[O-])n1 ZINC000296912045 432938522 /nfs/dbraw/zinc/93/85/22/432938522.db2.gz WIWKIBLGAMDRLF-IIAWOOMASA-N 1 1 314.389 3.058 20 5 DGBDMO O=[N+]([O-])c1ccc(N[C@H]2CC[N@@H+](CC3CCCCC3)C2)nc1 ZINC000331453917 432941374 /nfs/dbraw/zinc/94/13/74/432941374.db2.gz ISGOUPBYRSPJLT-AWEZNQCLSA-N 1 1 304.394 3.056 20 5 DGBDMO O=[N+]([O-])c1ccc(N[C@@H]2CC[N@@H+](CC3CCCCC3)C2)nc1 ZINC000331453921 432942023 /nfs/dbraw/zinc/94/20/23/432942023.db2.gz ISGOUPBYRSPJLT-CQSZACIVSA-N 1 1 304.394 3.056 20 5 DGBDMO Cc1noc([C@@H]2CC[N@H+]([C@H](C)c3cc([N+](=O)[O-])ccc3C)C2)n1 ZINC000332080973 432971121 /nfs/dbraw/zinc/97/11/21/432971121.db2.gz KXUUVWLDBUNEOB-DGCLKSJQSA-N 1 1 316.361 3.145 20 5 DGBDMO CSC[C@H]1CCC[N@H+](Cc2nc3cc([N+](=O)[O-])ccc3[nH]2)C1 ZINC000332287136 432994109 /nfs/dbraw/zinc/99/41/09/432994109.db2.gz YXXGSYLJIRCAIX-NSHDSACASA-N 1 1 320.418 3.046 20 5 DGBDMO CSC[C@H]1CCC[N@@H+](Cc2nc3cc([N+](=O)[O-])ccc3[nH]2)C1 ZINC000332287136 432994112 /nfs/dbraw/zinc/99/41/12/432994112.db2.gz YXXGSYLJIRCAIX-NSHDSACASA-N 1 1 320.418 3.046 20 5 DGBDMO Cc1c(C[N@@H+]2CCC[C@H](c3ccnn3C)C2)cccc1[N+](=O)[O-] ZINC000332352063 432999953 /nfs/dbraw/zinc/99/99/53/432999953.db2.gz SSKKIOCBYNMLHL-HNNXBMFYSA-N 1 1 314.389 3.016 20 5 DGBDMO COc1ccc(C[N@@H+]2CCC(F)(F)[C@H](C)C2)cc1[N+](=O)[O-] ZINC000289375848 432951537 /nfs/dbraw/zinc/95/15/37/432951537.db2.gz BTJSTVVRUPVTEM-SNVBAGLBSA-N 1 1 300.305 3.081 20 5 DGBDMO COc1ccc(C[N@H+]2CCC(F)(F)[C@H](C)C2)cc1[N+](=O)[O-] ZINC000289375848 432951539 /nfs/dbraw/zinc/95/15/39/432951539.db2.gz BTJSTVVRUPVTEM-SNVBAGLBSA-N 1 1 300.305 3.081 20 5 DGBDMO COc1cc(C[N@H+]2CC[C@H](CC3CC3)C2)c([N+](=O)[O-])cc1OC ZINC000354524255 433127014 /nfs/dbraw/zinc/12/70/14/433127014.db2.gz FPJNWGSHCKOCKT-CYBMUJFWSA-N 1 1 320.389 3.234 20 5 DGBDMO Cc1ccc(C[N@@H+]2CCC[C@@H](c3nccn3C)C2)cc1[N+](=O)[O-] ZINC000373233574 433138165 /nfs/dbraw/zinc/13/81/65/433138165.db2.gz WJAOXEQWHYXMFC-OAHLLOKOSA-N 1 1 314.389 3.016 20 5 DGBDMO O=[N+]([O-])c1cccc(C[N@H+]2CC3(CCC3)[C@@H]2C2CCOCC2)c1 ZINC000425367639 433208264 /nfs/dbraw/zinc/20/82/64/433208264.db2.gz CLHLIYWNCHXVGR-KRWDZBQOSA-N 1 1 316.401 3.376 20 5 DGBDMO CC(C)[N@@H+](C)C[C@@H](C)Nc1ccc([N+](=O)[O-])c2cnccc12 ZINC000290773406 433162981 /nfs/dbraw/zinc/16/29/81/433162981.db2.gz VPGARTCLMGLMDV-GFCCVEGCSA-N 1 1 302.378 3.284 20 5 DGBDMO CCC[C@]1(COC)CCC[N@H+]1CCOc1ccccc1[N+](=O)[O-] ZINC000447393884 433197420 /nfs/dbraw/zinc/19/74/20/433197420.db2.gz GSOKZUQVWGCJTG-QGZVFWFLSA-N 1 1 322.405 3.255 20 5 DGBDMO CC[N@@H+](CCC(=O)Nc1ccccc1[N+](=O)[O-])CC(C)(C)C ZINC000361518524 433219823 /nfs/dbraw/zinc/21/98/23/433219823.db2.gz HWYPHFMACYEDLU-UHFFFAOYSA-N 1 1 307.394 3.291 20 5 DGBDMO C[C@@H](NCC[N@@H+]1CCCC(C)(C)C1)c1cccc([N+](=O)[O-])c1 ZINC000447572606 433232894 /nfs/dbraw/zinc/23/28/94/433232894.db2.gz OTJCSUZKIUHMLH-CQSZACIVSA-N 1 1 305.422 3.367 20 5 DGBDMO C[C@@H](NCC[N@H+]1CCCC(C)(C)C1)c1cccc([N+](=O)[O-])c1 ZINC000447572606 433232901 /nfs/dbraw/zinc/23/29/01/433232901.db2.gz OTJCSUZKIUHMLH-CQSZACIVSA-N 1 1 305.422 3.367 20 5 DGBDMO CSCC[N@H+](C)Cc1ccc(Br)cc1[N+](=O)[O-] ZINC000425429005 433238980 /nfs/dbraw/zinc/23/89/80/433238980.db2.gz YPCFBOLNNQXXKP-UHFFFAOYSA-N 1 1 319.224 3.152 20 5 DGBDMO CSCC[N@@H+](C)Cc1ccc(Br)cc1[N+](=O)[O-] ZINC000425429005 433238985 /nfs/dbraw/zinc/23/89/85/433238985.db2.gz YPCFBOLNNQXXKP-UHFFFAOYSA-N 1 1 319.224 3.152 20 5 DGBDMO C[C@H]1[C@@H](Nc2ccc([N+](=O)[O-])c3ncccc23)CCC[N@H+]1C ZINC000413232629 433266709 /nfs/dbraw/zinc/26/67/09/433266709.db2.gz CMMQCLXXZSYKHS-AAEUAGOBSA-N 1 1 300.362 3.038 20 5 DGBDMO C[C@H](C[N@@H+](C)Cc1ccccc1)Nc1ncc([N+](=O)[O-])cc1F ZINC000413221280 433268004 /nfs/dbraw/zinc/26/80/04/433268004.db2.gz JEFLVAMZPPSYJE-GFCCVEGCSA-N 1 1 318.352 3.061 20 5 DGBDMO COCC[N@H+](Cc1csc([N+](=O)[O-])c1)C[C@H]1CC=CCC1 ZINC000361679801 433339856 /nfs/dbraw/zinc/33/98/56/433339856.db2.gz YTYVIADXGOAXEO-ZDUSSCGKSA-N 1 1 310.419 3.461 20 5 DGBDMO Cc1ccc([N+](=O)[O-])cc1[C@H](C)[N@H+]1CCC[C@H](CCO)CC1 ZINC000421025023 433388924 /nfs/dbraw/zinc/38/89/24/433388924.db2.gz XXKBSCWRLIMAHG-GJZGRUSLSA-N 1 1 306.406 3.449 20 5 DGBDMO C[C@@H]1[C@H](CO)CC[N@H+]1Cc1ccc(-c2ccc([N+](=O)[O-])cc2)o1 ZINC000425971563 433390095 /nfs/dbraw/zinc/39/00/95/433390095.db2.gz QKVGBIIYKSNRSV-OCCSQVGLSA-N 1 1 316.357 3.058 20 5 DGBDMO Cc1ccc([N+](=O)[O-])cc1[C@@H](C)[N@H+]1CCC[C@@H](CCO)CC1 ZINC000421025024 433393549 /nfs/dbraw/zinc/39/35/49/433393549.db2.gz XXKBSCWRLIMAHG-HUUCEWRRSA-N 1 1 306.406 3.449 20 5 DGBDMO C[C@@H]1[C@H](CO)CC[N@H+]1Cc1ccc(-c2cccc([N+](=O)[O-])c2)o1 ZINC000425988659 433394972 /nfs/dbraw/zinc/39/49/72/433394972.db2.gz ORJATKFXVZPLGF-OCCSQVGLSA-N 1 1 316.357 3.058 20 5 DGBDMO CO[C@H]1CC[N@@H+](Cc2cc([N+](=O)[O-])ccc2OC(C)C)[C@H](C)C1 ZINC000281860773 433411518 /nfs/dbraw/zinc/41/15/18/433411518.db2.gz ALUZVHARBLHNQK-CJNGLKHVSA-N 1 1 322.405 3.381 20 5 DGBDMO CCOc1ccc([C@@H](C)[NH2+][C@@H](C)c2ccn(C)n2)cc1[N+](=O)[O-] ZINC000414168924 433436313 /nfs/dbraw/zinc/43/63/13/433436313.db2.gz ARNINARIBKBIOS-NEPJUHHUSA-N 1 1 318.377 3.139 20 5 DGBDMO COc1ccc([N+](=O)[O-])cc1C[N@@H+](C)CC1(O)CCCCCC1 ZINC000426215972 433442647 /nfs/dbraw/zinc/44/26/47/433442647.db2.gz OIUTVMIBJOAJRP-UHFFFAOYSA-N 1 1 322.405 3.121 20 5 DGBDMO Cc1cc([N+](=O)[O-])cnc1N[C@@H](C)C[N@@H+]1C[C@H](C)C[C@H](C)C1 ZINC000301228722 433460213 /nfs/dbraw/zinc/46/02/13/433460213.db2.gz IDIRADMZGMYSFP-SCRDCRAPSA-N 1 1 306.410 3.077 20 5 DGBDMO CC[C@H]1CCCC[N@H+]1CCNc1ccc(C(C)=O)cc1[N+](=O)[O-] ZINC000301234439 433464849 /nfs/dbraw/zinc/46/48/49/433464849.db2.gz CHVZUBUMFZTBTH-HNNXBMFYSA-N 1 1 319.405 3.474 20 5 DGBDMO C[C@@H]1CC[N@@H+](Cc2cc([N+](=O)[O-])ccc2OC(F)F)[C@H]1C ZINC000355106416 433463671 /nfs/dbraw/zinc/46/36/71/433463671.db2.gz MZYTXFBQBBZEEP-ZJUUUORDSA-N 1 1 300.305 3.427 20 5 DGBDMO C[C@@H](CNc1ncc([N+](=O)[O-])cc1Cl)[N@H+]1CCC[C@H](C)C1 ZINC000301254432 433474281 /nfs/dbraw/zinc/47/42/81/433474281.db2.gz CRDDYLGKLKGPLY-QWRGUYRKSA-N 1 1 312.801 3.176 20 5 DGBDMO C[C@@H]1C[N@H+](C/C=C/c2ccccc2[N+](=O)[O-])C[C@@H](C2CC2)O1 ZINC000355203392 433532411 /nfs/dbraw/zinc/53/24/11/433532411.db2.gz PSNRKRIKTONBIO-UECWQGKISA-N 1 1 302.374 3.107 20 5 DGBDMO C[C@@H]1C[N@@H+](C/C=C/c2ccccc2[N+](=O)[O-])C[C@@H](C2CC2)O1 ZINC000355203392 433532417 /nfs/dbraw/zinc/53/24/17/433532417.db2.gz PSNRKRIKTONBIO-UECWQGKISA-N 1 1 302.374 3.107 20 5 DGBDMO Cc1cc(NCCCCc2ccc([N+](=O)[O-])cc2)nc(C)[nH+]1 ZINC000301390856 433533771 /nfs/dbraw/zinc/53/37/71/433533771.db2.gz ZLWRGFKUVMBWTF-UHFFFAOYSA-N 1 1 300.362 3.436 20 5 DGBDMO O=[N+]([O-])c1ccc(-c2nnc(C[N@H+]3CC[C@H]4CCC[C@@H]43)o2)cc1 ZINC000426468142 433505260 /nfs/dbraw/zinc/50/52/60/433505260.db2.gz FBGDYVIXTZCLQE-RISCZKNCSA-N 1 1 314.345 3.019 20 5 DGBDMO O=[N+]([O-])c1ccc(-c2nnc(C[N@H+]3CC[C@H]4CCC[C@H]43)o2)cc1 ZINC000426468140 433505877 /nfs/dbraw/zinc/50/58/77/433505877.db2.gz FBGDYVIXTZCLQE-BXUZGUMPSA-N 1 1 314.345 3.019 20 5 DGBDMO Cc1ccc(NCC[N@H+]2CCc3sccc3C2)c([N+](=O)[O-])c1 ZINC000301443728 433557885 /nfs/dbraw/zinc/55/78/85/433557885.db2.gz OJGUIENIFDQOKA-UHFFFAOYSA-N 1 1 317.414 3.435 20 5 DGBDMO COCC[N@H+](Cc1c(F)cccc1[N+](=O)[O-])[C@H]1CC[C@@H](C)C1 ZINC000362169247 433558398 /nfs/dbraw/zinc/55/83/98/433558398.db2.gz FUPODKKGFXEYNJ-OLZOCXBDSA-N 1 1 310.369 3.371 20 5 DGBDMO COCC[N@@H+](Cc1c(F)cccc1[N+](=O)[O-])[C@H]1CC[C@@H](C)C1 ZINC000362169247 433558402 /nfs/dbraw/zinc/55/84/02/433558402.db2.gz FUPODKKGFXEYNJ-OLZOCXBDSA-N 1 1 310.369 3.371 20 5 DGBDMO O=[N+]([O-])c1cnc(N[C@H]2CC[N@@H+](CC3CCCC3)C2)c(Cl)c1 ZINC000301462424 433564331 /nfs/dbraw/zinc/56/43/31/433564331.db2.gz JLFOYBBAKLKVBN-LBPRGKRZSA-N 1 1 324.812 3.320 20 5 DGBDMO CC[N@H+]1CCCN(c2ccc([N+](=O)[O-])cc2C(F)(F)F)CC1 ZINC000301500507 433581861 /nfs/dbraw/zinc/58/18/61/433581861.db2.gz DNBLOOMULJIPDW-UHFFFAOYSA-N 1 1 317.311 3.146 20 5 DGBDMO CC[N@H+]1CC[C@H]2CC[C@@H](C1)N2c1ccc([N+](=O)[O-])cc1Cl ZINC000301536131 433599195 /nfs/dbraw/zinc/59/91/95/433599195.db2.gz AOSAQXRHYRODOJ-YPMHNXCESA-N 1 1 309.797 3.311 20 5 DGBDMO COC[C@@H]([NH2+]Cc1ccccc1[N+](=O)[O-])c1ccc(F)cc1 ZINC000342308559 433603888 /nfs/dbraw/zinc/60/38/88/433603888.db2.gz GWOGEXMSFXPGDZ-OAHLLOKOSA-N 1 1 304.321 3.211 20 5 DGBDMO COC[C@H]1CC[N@@H+](Cc2cc([N+](=O)[O-])ccc2C(F)(F)F)C1 ZINC000293110765 433618969 /nfs/dbraw/zinc/61/89/69/433618969.db2.gz OOASFGYTMDKSGR-JTQLQIEISA-N 1 1 318.295 3.082 20 5 DGBDMO CCC[C@@]1(CO)CC[N@H+](Cc2ccc(Cl)cc2[N+](=O)[O-])C1 ZINC000367369252 293063144 /nfs/dbraw/zinc/06/31/44/293063144.db2.gz AXTQHLHAOHCDAC-OAHLLOKOSA-N 1 1 312.797 3.233 20 5 DGBDMO CCC[C@@]1(CO)CC[N@@H+](Cc2ccc(Cl)cc2[N+](=O)[O-])C1 ZINC000367369252 293063145 /nfs/dbraw/zinc/06/31/45/293063145.db2.gz AXTQHLHAOHCDAC-OAHLLOKOSA-N 1 1 312.797 3.233 20 5 DGBDMO CCC[C@]1(CO)CC[N@H+](Cc2ccc(Cl)cc2[N+](=O)[O-])C1 ZINC000367369251 293063166 /nfs/dbraw/zinc/06/31/66/293063166.db2.gz AXTQHLHAOHCDAC-HNNXBMFYSA-N 1 1 312.797 3.233 20 5 DGBDMO CCC[C@]1(CO)CC[N@@H+](Cc2ccc(Cl)cc2[N+](=O)[O-])C1 ZINC000367369251 293063167 /nfs/dbraw/zinc/06/31/67/293063167.db2.gz AXTQHLHAOHCDAC-HNNXBMFYSA-N 1 1 312.797 3.233 20 5 DGBDMO O=[N+]([O-])c1ccc(Cl)c(C[NH+]2CCC([C@H]3CCOC3)CC2)c1 ZINC000368265028 293111863 /nfs/dbraw/zinc/11/18/63/293111863.db2.gz RBSNLROJPLUVRG-ZDUSSCGKSA-N 1 1 324.808 3.497 20 5 DGBDMO C[C@H]1C[N@@H+](CCC(=O)Nc2ccccc2[N+](=O)[O-])C(C)(C)C1 ZINC000283270140 433701500 /nfs/dbraw/zinc/70/15/00/433701500.db2.gz LFVMVCROMFZAGL-GFCCVEGCSA-N 1 1 305.378 3.044 20 5 DGBDMO Cc1ccc(C[N@H+]2CC[C@H](C3CCOCC3)C2)cc1[N+](=O)[O-] ZINC000370724114 293186265 /nfs/dbraw/zinc/18/62/65/293186265.db2.gz XAVDVMUYVNACFE-INIZCTEOSA-N 1 1 304.390 3.152 20 5 DGBDMO O=[N+]([O-])c1cc(C[N@H+]2CC[C@@H]([C@@H]3CCOC3)C2)ccc1Cl ZINC000374386824 293392872 /nfs/dbraw/zinc/39/28/72/293392872.db2.gz ADLSLJHZOGJAMD-CHWSQXEVSA-N 1 1 310.781 3.107 20 5 DGBDMO O=C(CC[N@H+]1CC[C@H](CC2CC2)C1)Nc1ccc([N+](=O)[O-])cc1 ZINC000339673989 433718346 /nfs/dbraw/zinc/71/83/46/433718346.db2.gz IDVVXXQKLYMVCG-CQSZACIVSA-N 1 1 317.389 3.045 20 5 DGBDMO C[C@@H](C(=O)Nc1ccc([N+](=O)[O-])cc1)[N@H+]1CC[C@H](CC2CC2)C1 ZINC000339683109 433730942 /nfs/dbraw/zinc/73/09/42/433730942.db2.gz MKGQNTDABCFHQK-GXTWGEPZSA-N 1 1 317.389 3.044 20 5 DGBDMO CC[N@@H+](C)Cc1cccc(CNc2ccc(N)cc2[N+](=O)[O-])c1 ZINC000283629407 433754993 /nfs/dbraw/zinc/75/49/93/433754993.db2.gz TWSNGKWANLOXGN-UHFFFAOYSA-N 1 1 314.389 3.241 20 5 DGBDMO C/C(=C\c1cccc([N+](=O)[O-])c1)CN(C)[C@@H]1CC[N@H+](C(C)C)C1 ZINC000449789494 433805990 /nfs/dbraw/zinc/80/59/90/433805990.db2.gz ZYSUUTZBLWKVCV-SPQRHKFCSA-N 1 1 317.433 3.413 20 5 DGBDMO CCC[N@@H+](CC)C[C@@H](C)NC(=O)c1cc([N+](=O)[O-])c(C)cc1C ZINC000421922106 433807611 /nfs/dbraw/zinc/80/76/11/433807611.db2.gz ZSEGTZIWVHXKLY-CQSZACIVSA-N 1 1 321.421 3.062 20 5 DGBDMO C/C(=C\c1cccc([N+](=O)[O-])c1)C[N@H+]1CC[C@@H](CCCO)C1 ZINC000449792019 433807773 /nfs/dbraw/zinc/80/77/73/433807773.db2.gz RBCYRZFZJIPEGT-YVGNARHYSA-N 1 1 304.390 3.093 20 5 DGBDMO C[C@H](C1CCC1)[N@@H+](C)Cc1cc([N+](=O)[O-])cc2c1OCOC2 ZINC000357014855 433818943 /nfs/dbraw/zinc/81/89/43/433818943.db2.gz YDLDWGWLXRCWNG-LLVKDONJSA-N 1 1 306.362 3.082 20 5 DGBDMO O=[N+]([O-])c1ccccc1C[N@H+]1CCCN2c3ccccc3C[C@H]2C1 ZINC000352017151 433862766 /nfs/dbraw/zinc/86/27/66/433862766.db2.gz DDOQAEJEWHIXHF-KRWDZBQOSA-N 1 1 323.396 3.232 20 5 DGBDMO O=C(C[N@H+]1CCC[C@H]1C1CC1)Nc1ccc(Cl)cc1[N+](=O)[O-] ZINC000377534630 433905469 /nfs/dbraw/zinc/90/54/69/433905469.db2.gz VTGGFFOQXZRARG-ZDUSSCGKSA-N 1 1 323.780 3.061 20 5 DGBDMO [NH3+][C@@H]1CCC[C@@H](NCc2ccc(-c3ccc([N+](=O)[O-])cc3)o2)C1 ZINC000414909914 433913999 /nfs/dbraw/zinc/91/39/99/433913999.db2.gz CQRNGXFRQRSFAT-ZIAGYGMSSA-N 1 1 315.373 3.214 20 5 DGBDMO CCc1cnc(C[NH2+][C@H](C)c2ccc(N)c([N+](=O)[O-])c2)s1 ZINC000284317102 433881988 /nfs/dbraw/zinc/88/19/88/433881988.db2.gz ZPHGPFFMJBAVFY-SECBINFHSA-N 1 1 306.391 3.047 20 5 DGBDMO CC(C)c1ccc(CN[C@H](C)[C@@H]2CCC[NH2+]C2)cc1[N+](=O)[O-] ZINC000414864462 433890205 /nfs/dbraw/zinc/89/02/05/433890205.db2.gz YPVMELXUKJJOOX-UKRRQHHQSA-N 1 1 305.422 3.196 20 5 DGBDMO CC(C)c1[nH+]ccn1CCC(=O)Nc1cc(F)cc([N+](=O)[O-])c1 ZINC000352189477 433966754 /nfs/dbraw/zinc/96/67/54/433966754.db2.gz GMJQIGMUVUVYNK-UHFFFAOYSA-N 1 1 320.324 3.083 20 5 DGBDMO CC[C@H]1CC[C@@H](C)[N@H+]1CCC(=O)Nc1ccc([N+](=O)[O-])cc1C ZINC000357552075 434076054 /nfs/dbraw/zinc/07/60/54/434076054.db2.gz JZYWHUZWROYFPM-KGLIPLIRSA-N 1 1 319.405 3.495 20 5 DGBDMO O=[N+]([O-])c1cc(C(F)(F)F)ccc1NCC[N@@H+]1CC=CCC1 ZINC000357663791 434121806 /nfs/dbraw/zinc/12/18/06/434121806.db2.gz RVVJAWJFNOEOFX-UHFFFAOYSA-N 1 1 315.295 3.287 20 5 DGBDMO CCCC[N@@H+](CCO)Cc1ccc(-c2ccccc2[N+](=O)[O-])o1 ZINC000505907377 294259034 /nfs/dbraw/zinc/25/90/34/294259034.db2.gz MQNCHVVMMZUVLQ-UHFFFAOYSA-N 1 1 318.373 3.449 20 5 DGBDMO CCC1(C)CC[NH+](CC(=O)Nc2ccc([N+](=O)[O-])cc2C)CC1 ZINC000507184481 294287088 /nfs/dbraw/zinc/28/70/88/294287088.db2.gz SBLOELKWJBOEHT-UHFFFAOYSA-N 1 1 319.405 3.354 20 5 DGBDMO COc1ccc([N+](=O)[O-])cc1C[NH2+][C@H](C)c1cc(C)ccn1 ZINC000286001823 434130847 /nfs/dbraw/zinc/13/08/47/434130847.db2.gz ISJHYNJCLHINNJ-GFCCVEGCSA-N 1 1 301.346 3.158 20 5 DGBDMO Cc1ccc([N+](=O)[O-])cc1[C@H](C)[N@H+]1CC[C@H]([C@H]2CCOC2)C1 ZINC000378493780 434200239 /nfs/dbraw/zinc/20/02/39/434200239.db2.gz IXWYQNQJROIVPV-KKUMJFAQSA-N 1 1 304.390 3.323 20 5 DGBDMO Cc1ccc(CN2CC[N@H+](C)Cc3ccccc32)cc1[N+](=O)[O-] ZINC000353591696 434258028 /nfs/dbraw/zinc/25/80/28/434258028.db2.gz YGCUTKGKQGLCJL-UHFFFAOYSA-N 1 1 311.385 3.355 20 5 DGBDMO COc1cc(C[N@H+]2CC[C@H](c3ccco3)C2)c([N+](=O)[O-])cc1F ZINC000364079077 434226697 /nfs/dbraw/zinc/22/66/97/434226697.db2.gz JITRDHNNMFTXLO-NSHDSACASA-N 1 1 320.320 3.325 20 5 DGBDMO C[C@@H](Cc1ccccc1[N+](=O)[O-])NCC1([NH3+])CCCCCC1 ZINC000423203301 434281768 /nfs/dbraw/zinc/28/17/68/434281768.db2.gz SJTRBWHDNMWSOI-AWEZNQCLSA-N 1 1 305.422 3.167 20 5 DGBDMO C[N@@H+](CCOc1ccccc1[N+](=O)[O-])C1CCC(F)(F)CC1 ZINC000286669470 434282126 /nfs/dbraw/zinc/28/21/26/434282126.db2.gz BJZKUQJVSSCMEY-UHFFFAOYSA-N 1 1 314.332 3.483 20 5 DGBDMO Cc1c([C@@H](C)[NH2+][C@H](CN)C2CCCCC2)cccc1[N+](=O)[O-] ZINC000423261115 434319580 /nfs/dbraw/zinc/31/95/80/434319580.db2.gz JBRLDCMBIMZVMB-CZUORRHYSA-N 1 1 305.422 3.461 20 5 DGBDMO CCOc1ccc([N+](=O)[O-])cc1C[NH+]1CCC(C(F)F)CC1 ZINC000353684368 434336347 /nfs/dbraw/zinc/33/63/47/434336347.db2.gz RZNIUANEXPQOKG-UHFFFAOYSA-N 1 1 314.332 3.471 20 5 DGBDMO CC(C)=CCC[NH2+][C@@H](c1nccn1C)c1cccc([N+](=O)[O-])c1 ZINC000353687996 434338864 /nfs/dbraw/zinc/33/88/64/434338864.db2.gz NLMJCOKPTLFCHE-MRXNPFEDSA-N 1 1 314.389 3.364 20 5 DGBDMO CCC(N)(CC)C[NH2+][C@@H](Cc1ccccc1[N+](=O)[O-])C1CC1 ZINC000423289058 434343088 /nfs/dbraw/zinc/34/30/88/434343088.db2.gz VYRCGZBYGOROFY-HNNXBMFYSA-N 1 1 305.422 3.023 20 5 DGBDMO CCOc1ccc([N+](=O)[O-])cc1C[N@@H+]1CCSC(C)(C)C1 ZINC000353869188 434490626 /nfs/dbraw/zinc/49/06/26/434490626.db2.gz QJBBRPFNPNGSRF-UHFFFAOYSA-N 1 1 310.419 3.321 20 5 DGBDMO CCOc1ccc([N+](=O)[O-])cc1C[N@H+]1CCSC(C)(C)C1 ZINC000353869188 434490631 /nfs/dbraw/zinc/49/06/31/434490631.db2.gz QJBBRPFNPNGSRF-UHFFFAOYSA-N 1 1 310.419 3.321 20 5 DGBDMO CCC1(CC)CC[N@H+](CC(=O)Nc2ccccc2[N+](=O)[O-])C1 ZINC000438496375 434493499 /nfs/dbraw/zinc/49/34/99/434493499.db2.gz AUUXYXOATICMBR-UHFFFAOYSA-N 1 1 305.378 3.045 20 5 DGBDMO CCC1(CC)CC[N@@H+](CC(=O)Nc2ccccc2[N+](=O)[O-])C1 ZINC000438496375 434493510 /nfs/dbraw/zinc/49/35/10/434493510.db2.gz AUUXYXOATICMBR-UHFFFAOYSA-N 1 1 305.378 3.045 20 5 DGBDMO CC(=O)c1ccc(NCC[N@H+]2CCCC2(C)C)c([N+](=O)[O-])c1 ZINC000450952877 434504229 /nfs/dbraw/zinc/50/42/29/434504229.db2.gz VXEFQRKMPQGHAG-UHFFFAOYSA-N 1 1 305.378 3.084 20 5 DGBDMO Cc1c([C@@H](C)[NH2+][C@H](c2nccn2C)C2CC2)cccc1[N+](=O)[O-] ZINC000353893241 434506893 /nfs/dbraw/zinc/50/68/93/434506893.db2.gz ZSTLPJJFNASZMM-WBMJQRKESA-N 1 1 314.389 3.439 20 5 DGBDMO Cc1c([C@H](C)[NH2+][C@@H](c2nccn2C)C2CC2)cccc1[N+](=O)[O-] ZINC000353893219 434508704 /nfs/dbraw/zinc/50/87/04/434508704.db2.gz ZSTLPJJFNASZMM-BLLLJJGKSA-N 1 1 314.389 3.439 20 5 DGBDMO C[C@@H]1Cc2c([nH+]cn2Cc2c(F)cccc2[N+](=O)[O-])C[C@@H]1C ZINC000451000382 434524299 /nfs/dbraw/zinc/52/42/99/434524299.db2.gz PFUDZMIGBYIUBS-WDEREUQCSA-N 1 1 303.337 3.350 20 5 DGBDMO COc1cc([N+](=O)[O-])ccc1Cn1c[nH+]c2c1C[C@@H](C)[C@H](C)C2 ZINC000450997503 434525873 /nfs/dbraw/zinc/52/58/73/434525873.db2.gz IRKRRWUDCLUXBM-VXGBXAGGSA-N 1 1 315.373 3.219 20 5 DGBDMO CCO[C@H]1C[C@@H]([N@@H+](C)CCOc2cccc([N+](=O)[O-])c2)C1(C)C ZINC000525409137 295014361 /nfs/dbraw/zinc/01/43/61/295014361.db2.gz PJDZVFIBZOVMMV-CVEARBPZSA-N 1 1 322.405 3.109 20 5 DGBDMO CO[C@H]1C[C@H]([N@H+](C)Cc2c(F)cccc2[N+](=O)[O-])C12CCC2 ZINC000451858888 434579934 /nfs/dbraw/zinc/57/99/34/434579934.db2.gz VXCQQZZUMWVSKX-GJZGRUSLSA-N 1 1 308.353 3.123 20 5 DGBDMO CO[C@H]1C[C@H]([N@@H+](C)Cc2c(F)cccc2[N+](=O)[O-])C12CCC2 ZINC000451858888 434579938 /nfs/dbraw/zinc/57/99/38/434579938.db2.gz VXCQQZZUMWVSKX-GJZGRUSLSA-N 1 1 308.353 3.123 20 5 DGBDMO CO[C@@H]1C[C@H]([N@H+](C)Cc2c(F)cccc2[N+](=O)[O-])C12CCC2 ZINC000451859485 434580566 /nfs/dbraw/zinc/58/05/66/434580566.db2.gz VXCQQZZUMWVSKX-LSDHHAIUSA-N 1 1 308.353 3.123 20 5 DGBDMO CO[C@@H]1C[C@H]([N@@H+](C)Cc2c(F)cccc2[N+](=O)[O-])C12CCC2 ZINC000451859485 434580574 /nfs/dbraw/zinc/58/05/74/434580574.db2.gz VXCQQZZUMWVSKX-LSDHHAIUSA-N 1 1 308.353 3.123 20 5 DGBDMO CCOc1ccc([C@H](C)N[C@@H]2CC[N@@H+](C)[C@H](C)C2)cc1[N+](=O)[O-] ZINC000349245956 434649669 /nfs/dbraw/zinc/64/96/69/434649669.db2.gz IWYOEKGWFSDMCY-VNHYZAJKSA-N 1 1 321.421 3.127 20 5 DGBDMO CCOc1ccc([C@H](C)[NH2+][C@@H]2CCN(C)[C@H](C)C2)cc1[N+](=O)[O-] ZINC000349245956 434649676 /nfs/dbraw/zinc/64/96/76/434649676.db2.gz IWYOEKGWFSDMCY-VNHYZAJKSA-N 1 1 321.421 3.127 20 5 DGBDMO N[C@@H]1CCCC[C@H]1[NH2+][C@H]1CCC[C@@H]1Cc1ccccc1[N+](=O)[O-] ZINC000424380351 434715546 /nfs/dbraw/zinc/71/55/46/434715546.db2.gz WXRKTGWGRCQRDZ-MXASKKJJSA-N 1 1 317.433 3.166 20 5 DGBDMO O=[N+]([O-])c1ccc(C[N@H+]2CC[C@H](C3CCOCC3)C2)c(Cl)c1 ZINC000371704946 434737815 /nfs/dbraw/zinc/73/78/15/434737815.db2.gz YYEKBSZMEPOFBJ-ZDUSSCGKSA-N 1 1 324.808 3.497 20 5 DGBDMO CCn1c(C)nc([N+](=O)[O-])c1NCCCC[N@H+]1CCCC[C@H]1C ZINC000360961757 434744691 /nfs/dbraw/zinc/74/46/91/434744691.db2.gz UBTUMNSBGDAJRE-CYBMUJFWSA-N 1 1 323.441 3.186 20 5 DGBDMO CC1(C)C[N@@H+](CCOc2ccccc2[N+](=O)[O-])[C@@H]2CCC[C@H]2O1 ZINC000440955110 434757380 /nfs/dbraw/zinc/75/73/80/434757380.db2.gz GBOJGZIDAPSUDV-CZUORRHYSA-N 1 1 320.389 3.006 20 5 DGBDMO CC[C@H]1[C@@H](C)CC[N@H+]1CCC(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000411556365 434800737 /nfs/dbraw/zinc/80/07/37/434800737.db2.gz OSMRQAHYPMUNMG-WFASDCNBSA-N 1 1 305.378 3.044 20 5 DGBDMO O=[N+]([O-])c1ccc([C@H]2CCC[N@H+](CCC3(O)CCC3)C2)cc1 ZINC000411795649 434831218 /nfs/dbraw/zinc/83/12/18/434831218.db2.gz VFGOCTMMEPTZBR-HNNXBMFYSA-N 1 1 304.390 3.079 20 5 DGBDMO O=[N+]([O-])c1ccc(CC[N@H+]2CCSC3(CCC3)CC2)cc1 ZINC000411864311 434836562 /nfs/dbraw/zinc/83/65/62/434836562.db2.gz DLJJUYXEPQGJHJ-UHFFFAOYSA-N 1 1 306.431 3.499 20 5 DGBDMO C[C@H](C(=O)Nc1ccccc1[N+](=O)[O-])[N@H+]1CCCCC(C)(C)C1 ZINC000446071351 434847275 /nfs/dbraw/zinc/84/72/75/434847275.db2.gz MNUYVMBNGGEUMY-CYBMUJFWSA-N 1 1 319.405 3.434 20 5 DGBDMO CC(C)c1ccc(C[NH2+][C@H]2CCc3cn[nH]c3C2)cc1[N+](=O)[O-] ZINC000372739107 434850446 /nfs/dbraw/zinc/85/04/46/434850446.db2.gz IGAGLAUNNHVKCF-AWEZNQCLSA-N 1 1 314.389 3.088 20 5 DGBDMO C[C@@H](C[NH+]1CCCCC1)N[C@H]1CCc2c1cccc2[N+](=O)[O-] ZINC000573696996 434919375 /nfs/dbraw/zinc/91/93/75/434919375.db2.gz OPYGPMQFSLPVLL-BBRMVZONSA-N 1 1 303.406 3.046 20 5 DGBDMO CCC[N@@H+](CC)C[C@@H](C)N[C@H]1CCc2c1cccc2[N+](=O)[O-] ZINC000574219961 434960799 /nfs/dbraw/zinc/96/07/99/434960799.db2.gz YFOUUNOJWYOQKU-CJNGLKHVSA-N 1 1 305.422 3.292 20 5 DGBDMO CCCN(CC)C[C@@H](C)[NH2+][C@H]1CCc2c1cccc2[N+](=O)[O-] ZINC000574219961 434960804 /nfs/dbraw/zinc/96/08/04/434960804.db2.gz YFOUUNOJWYOQKU-CJNGLKHVSA-N 1 1 305.422 3.292 20 5 DGBDMO CCOc1cc(NC[C@H]2CC[N@@H+](CC(C)C)C2)ccc1[N+](=O)[O-] ZINC000465052438 435018250 /nfs/dbraw/zinc/01/82/50/435018250.db2.gz ZIMWNNPQSPRPGA-CQSZACIVSA-N 1 1 321.421 3.383 20 5 DGBDMO CCOc1cc(C[N@H+](C)Cc2cccc(C)n2)ccc1[N+](=O)[O-] ZINC000492535087 435005812 /nfs/dbraw/zinc/00/58/12/435005812.db2.gz LLPILFXHDGOXKW-UHFFFAOYSA-N 1 1 315.373 3.329 20 5 DGBDMO O=[N+]([O-])c1ccc(CC[N@@H+]2CCOC[C@@H]2c2ccccc2)cc1 ZINC000464841525 435005860 /nfs/dbraw/zinc/00/58/60/435005860.db2.gz YBMWRUVOOWLTCD-GOSISDBHSA-N 1 1 312.369 3.211 20 5 DGBDMO O=[N+]([O-])c1ccc(CC[N@H+]2CCOC[C@@H]2c2ccccc2)cc1 ZINC000464841525 435005865 /nfs/dbraw/zinc/00/58/65/435005865.db2.gz YBMWRUVOOWLTCD-GOSISDBHSA-N 1 1 312.369 3.211 20 5 DGBDMO CCOc1cc(C[N@@H+](C)Cc2cccc(C)n2)ccc1[N+](=O)[O-] ZINC000492535087 435005816 /nfs/dbraw/zinc/00/58/16/435005816.db2.gz LLPILFXHDGOXKW-UHFFFAOYSA-N 1 1 315.373 3.329 20 5 DGBDMO CC[C@H]1C[C@@H](C)C[N@H+]1Cc1nc(-c2cccc([N+](=O)[O-])c2)no1 ZINC000466928548 435100832 /nfs/dbraw/zinc/10/08/32/435100832.db2.gz FIRGWNVBWITAKU-YPMHNXCESA-N 1 1 316.361 3.265 20 5 DGBDMO CC(C)C[C@H]1CC[N@H+]([C@H](C)C(=O)Nc2ccc([N+](=O)[O-])cc2)C1 ZINC000467169887 435110823 /nfs/dbraw/zinc/11/08/23/435110823.db2.gz FCKSHGRTVFPNAB-ZIAGYGMSSA-N 1 1 319.405 3.290 20 5 DGBDMO CC[C@H]1C[N@@H+](C)CCN1c1ccc([N+](=O)[O-])c(C(F)(F)F)c1 ZINC000558983848 435118420 /nfs/dbraw/zinc/11/84/20/435118420.db2.gz CNHYEQPINXBJHO-JTQLQIEISA-N 1 1 317.311 3.144 20 5 DGBDMO C/C(=C\c1cccc([N+](=O)[O-])c1)CNCC1([NH+](C)C)CCCC1 ZINC000468621889 435127848 /nfs/dbraw/zinc/12/78/48/435127848.db2.gz PHSCIVPTZYXKFJ-RVDMUPIBSA-N 1 1 317.433 3.462 20 5 DGBDMO Cc1cccc([N+](=O)[O-])c1NC(=O)C[N@H+](C)[C@@H]1CCC[C@H](C)C1 ZINC000532927372 435199936 /nfs/dbraw/zinc/19/99/36/435199936.db2.gz DMYOGLUZAWPIAX-GXTWGEPZSA-N 1 1 319.405 3.352 20 5 DGBDMO O=[N+]([O-])c1cccc(Cl)c1C[N@H+]1CCC[C@@H]2COCC[C@@H]21 ZINC000493332963 435151534 /nfs/dbraw/zinc/15/15/34/435151534.db2.gz DONHXGNXGNEXCE-RISCZKNCSA-N 1 1 310.781 3.249 20 5 DGBDMO CC(C)c1ccc(C[N@H+]2CC[C@H](CO)C[C@@H]2C)cc1[N+](=O)[O-] ZINC000579408745 435153386 /nfs/dbraw/zinc/15/33/86/435153386.db2.gz OTSLHWHFPZUPIU-ZFWWWQNUSA-N 1 1 306.406 3.311 20 5 DGBDMO C[N@@H+](CCc1ccccc1[N+](=O)[O-])Cc1ccc(Cl)cn1 ZINC000560487348 435172092 /nfs/dbraw/zinc/17/20/92/435172092.db2.gz ZLJBTVZEPNZRRW-UHFFFAOYSA-N 1 1 305.765 3.318 20 5 DGBDMO Cc1ccc([N+](=O)[O-])cc1NC(=O)C[N@H+]1CCCC(C)(C)CC1 ZINC000533439422 435237765 /nfs/dbraw/zinc/23/77/65/435237765.db2.gz NXAWLFLUYREULL-UHFFFAOYSA-N 1 1 319.405 3.354 20 5 DGBDMO O=[N+]([O-])c1ccccc1OCC[N@H+]1CC[C@H](c2ccccc2)C1 ZINC000477245089 435265201 /nfs/dbraw/zinc/26/52/01/435265201.db2.gz WLGOHUVSLLQETE-INIZCTEOSA-N 1 1 312.369 3.463 20 5 DGBDMO CCN(CCC[NH+](C)C)C/C(C)=C\c1cccc([N+](=O)[O-])c1 ZINC000583962101 435261006 /nfs/dbraw/zinc/26/10/06/435261006.db2.gz DRHAZHPGUHWAFE-QINSGFPZSA-N 1 1 305.422 3.272 20 5 DGBDMO CC[N@H+](CCCN(C)C)C/C(C)=C\c1cccc([N+](=O)[O-])c1 ZINC000583962101 435261009 /nfs/dbraw/zinc/26/10/09/435261009.db2.gz DRHAZHPGUHWAFE-QINSGFPZSA-N 1 1 305.422 3.272 20 5 DGBDMO CC[N@@H+](CCCN(C)C)C/C(C)=C\c1cccc([N+](=O)[O-])c1 ZINC000583962101 435261012 /nfs/dbraw/zinc/26/10/12/435261012.db2.gz DRHAZHPGUHWAFE-QINSGFPZSA-N 1 1 305.422 3.272 20 5 DGBDMO CCOc1cc(N[C@@H](C)C2=CC[N@@H+](C)CC2)ccc1[N+](=O)[O-] ZINC000511370260 435321634 /nfs/dbraw/zinc/32/16/34/435321634.db2.gz RLIUESZBODPGRG-LBPRGKRZSA-N 1 1 305.378 3.056 20 5 DGBDMO CN(C)c1ccccc1C[N@@H+](C)CCc1ccccc1[N+](=O)[O-] ZINC000511072683 435312825 /nfs/dbraw/zinc/31/28/25/435312825.db2.gz LQIGTXPTKAYCEL-UHFFFAOYSA-N 1 1 313.401 3.335 20 5 DGBDMO C[C@@H]1C[C@H](C)C[N@@H+]1Cc1cc([N+](=O)[O-])ccc1OC(F)F ZINC000536661693 435398759 /nfs/dbraw/zinc/39/87/59/435398759.db2.gz CHKHWZLIBYVXMZ-VHSXEESVSA-N 1 1 300.305 3.427 20 5 DGBDMO CCC[N@@H+]1CCC[C@H]1CN[C@@H]1CCc2c1cccc2[N+](=O)[O-] ZINC000515311503 435473332 /nfs/dbraw/zinc/47/33/32/435473332.db2.gz MFYWOWBZCOAJSP-XJKSGUPXSA-N 1 1 303.406 3.046 20 5 DGBDMO CCC[N@H+]1CCC[C@H]1CN[C@@H]1CCc2c1cccc2[N+](=O)[O-] ZINC000515311503 435473337 /nfs/dbraw/zinc/47/33/37/435473337.db2.gz MFYWOWBZCOAJSP-XJKSGUPXSA-N 1 1 303.406 3.046 20 5 DGBDMO C[N@H+]1CCC[C@H](C[NH2+][C@H]2CCCCc3ccc([N+](=O)[O-])cc32)C1 ZINC000516023785 435512408 /nfs/dbraw/zinc/51/24/08/435512408.db2.gz AHCRXIFDEIKCGJ-KDOFPFPSSA-N 1 1 317.433 3.294 20 5 DGBDMO CN1CCC[C@H](C[NH2+][C@H]2CCCCc3ccc([N+](=O)[O-])cc32)C1 ZINC000516023785 435512414 /nfs/dbraw/zinc/51/24/14/435512414.db2.gz AHCRXIFDEIKCGJ-KDOFPFPSSA-N 1 1 317.433 3.294 20 5 DGBDMO C[N@H+]1CCC[C@H](C[NH2+][C@@H]2CC(C)(C)c3ccc([N+](=O)[O-])cc32)C1 ZINC000516530392 435534774 /nfs/dbraw/zinc/53/47/74/435534774.db2.gz XBCXDWYUUSKCNC-CXAGYDPISA-N 1 1 317.433 3.249 20 5 DGBDMO CN1CCC[C@H](C[NH2+][C@@H]2CC(C)(C)c3ccc([N+](=O)[O-])cc32)C1 ZINC000516530392 435534777 /nfs/dbraw/zinc/53/47/77/435534777.db2.gz XBCXDWYUUSKCNC-CXAGYDPISA-N 1 1 317.433 3.249 20 5 DGBDMO C[N@@H+]1CCC[C@H](CN[C@@H]2CC(C)(C)c3ccc([N+](=O)[O-])cc32)C1 ZINC000516530392 435534781 /nfs/dbraw/zinc/53/47/81/435534781.db2.gz XBCXDWYUUSKCNC-CXAGYDPISA-N 1 1 317.433 3.249 20 5 DGBDMO C[N@H+]1CCC[C@H](CN[C@@H]2CC(C)(C)c3ccc([N+](=O)[O-])cc32)C1 ZINC000516530392 435534782 /nfs/dbraw/zinc/53/47/82/435534782.db2.gz XBCXDWYUUSKCNC-CXAGYDPISA-N 1 1 317.433 3.249 20 5 DGBDMO CCCC[N@@H+](C)CCNC(=O)Nc1cc([N+](=O)[O-])ccc1CC ZINC000568936478 435484901 /nfs/dbraw/zinc/48/49/01/435484901.db2.gz DBJCOZSMYNLKIL-UHFFFAOYSA-N 1 1 322.409 3.011 20 5 DGBDMO C[C@H]1CC[N@@H+](CCOc2ccccc2[N+](=O)[O-])CC12CCC2 ZINC000540043841 435584218 /nfs/dbraw/zinc/58/42/18/435584218.db2.gz IGYZZZYJTPWTOY-AWEZNQCLSA-N 1 1 304.390 3.486 20 5 DGBDMO C[C@@H]1Cc2[nH+]cn(Cc3ccc(F)cc3[N+](=O)[O-])c2C[C@H]1C ZINC000570176305 435596467 /nfs/dbraw/zinc/59/64/67/435596467.db2.gz LVOYMSVSMHJDES-GHMZBOCLSA-N 1 1 303.337 3.350 20 5 DGBDMO CCC(=O)c1ccc(N[C@@H]2CC[N@H+]3CCC[C@H]3C2)c([N+](=O)[O-])c1 ZINC000377086711 313014450 /nfs/dbraw/zinc/01/44/50/313014450.db2.gz OUSYNRAZYKQPRB-KGLIPLIRSA-N 1 1 317.389 3.226 20 5 DGBDMO CCC(=O)c1ccc(N[C@H]2CC[N@H+]3CCC[C@@H]3C2)c([N+](=O)[O-])c1 ZINC000377086712 313014719 /nfs/dbraw/zinc/01/47/19/313014719.db2.gz OUSYNRAZYKQPRB-UONOGXRCSA-N 1 1 317.389 3.226 20 5 DGBDMO Cc1ccc([N+](=O)[O-])cc1NC(=O)C[N@@H+]1C[C@@H](C)CC(C)(C)C1 ZINC000541325968 314008200 /nfs/dbraw/zinc/00/82/00/314008200.db2.gz SNOQHHSGHRLSIT-LBPRGKRZSA-N 1 1 319.405 3.210 20 5 DGBDMO C[C@@H](C(=O)Nc1ccc([N+](=O)[O-])cc1)[N@H+]1CC[C@@H](C(C)(C)C)C1 ZINC000544188350 314179831 /nfs/dbraw/zinc/17/98/31/314179831.db2.gz YRIFKYCPKAHWLF-QWHCGFSZSA-N 1 1 319.405 3.290 20 5 DGBDMO CCCC[N@@H+](CCCO)C/C(C)=C\c1cccc([N+](=O)[O-])c1 ZINC000562902106 315060333 /nfs/dbraw/zinc/06/03/33/315060333.db2.gz NEFXRYZKKYRMBT-QINSGFPZSA-N 1 1 306.406 3.483 20 5 DGBDMO CCCC[N@@H+](C)C[C@@H](C)NC(=O)Nc1cccc([N+](=O)[O-])c1C ZINC000562908411 315060695 /nfs/dbraw/zinc/06/06/95/315060695.db2.gz UIVSLXAQOXNAIR-GFCCVEGCSA-N 1 1 322.409 3.145 20 5 DGBDMO Cn1c[nH+]cc1CCNc1c(Cl)cc(Cl)cc1[N+](=O)[O-] ZINC000582597280 324251481 /nfs/dbraw/zinc/25/14/81/324251481.db2.gz HEWSMCOXAUHNJO-UHFFFAOYSA-N 1 1 315.160 3.290 20 5 DGBDMO COc1cc(C[N@@H+](C)[C@@H]2CC[C@H](C)C2)c([N+](=O)[O-])cc1OC ZINC000433036851 533793593 /nfs/dbraw/zinc/79/35/93/533793593.db2.gz ZNLGTRPFZNNXQL-WCQYABFASA-N 1 1 308.378 3.232 20 5 DGBDMO Cc1c(NC(=O)CC[N@@H+]2C[C@@H](C)CC2(C)C)cccc1[N+](=O)[O-] ZINC000331023118 533899695 /nfs/dbraw/zinc/89/96/95/533899695.db2.gz ZUMCYHKZGKEFAV-LBPRGKRZSA-N 1 1 319.405 3.352 20 5 DGBDMO C[C@@H]1C[C@H](Nc2ccc([N+](=O)[O-])c3cnccc23)CC[N@H+]1C ZINC000316806992 533968195 /nfs/dbraw/zinc/96/81/95/533968195.db2.gz PKSGLUFXEBEDIE-VXGBXAGGSA-N 1 1 300.362 3.038 20 5 DGBDMO Cc1ccc([N+](=O)[O-])cc1NC(=O)C[N@@H+]1CC[C@@H](C)C[C@@H](C)C1 ZINC000443637811 534340070 /nfs/dbraw/zinc/34/00/70/534340070.db2.gz CEFSXULYWALEBC-CHWSQXEVSA-N 1 1 319.405 3.210 20 5 DGBDMO CC(C)c1ccc(C[N@H+]2CCC[C@@H]2C(C)(C)O)cc1[N+](=O)[O-] ZINC000154414567 519835933 /nfs/dbraw/zinc/83/59/33/519835933.db2.gz PDCSEWZKXMMYDR-MRXNPFEDSA-N 1 1 306.406 3.454 20 5 DGBDMO O=[N+]([O-])c1ccc(-c2ccc(C[N@@H+]3CCC[C@@H]3CCO)o2)cc1 ZINC000428489131 534881194 /nfs/dbraw/zinc/88/11/94/534881194.db2.gz UTQSBHQFLXXAOU-CQSZACIVSA-N 1 1 316.357 3.202 20 5 DGBDMO Cc1noc([C@H]2CCC[N@H+]([C@H](C)c3ccccc3[N+](=O)[O-])C2)n1 ZINC000266520893 526669627 /nfs/dbraw/zinc/66/96/27/526669627.db2.gz IJAWPLVVCBZXKY-YPMHNXCESA-N 1 1 316.361 3.227 20 5 DGBDMO CC1=CC[N@@H+](CCNc2ccc([N+](=O)[O-])c3cnccc23)CC1 ZINC000302182585 528120292 /nfs/dbraw/zinc/12/02/92/528120292.db2.gz ZGSOPZWHJJMVDC-UHFFFAOYSA-N 1 1 312.373 3.207 20 5 DGBDMO CCC[N@H+]1CC[C@@H](CNc2ccc([N+](=O)[O-])c3ncccc23)C1 ZINC000413063332 528254088 /nfs/dbraw/zinc/25/40/88/528254088.db2.gz APDQFTOCUCGWKM-ZDUSSCGKSA-N 1 1 314.389 3.287 20 5 DGBDMO CCC(=O)c1ccc(NC2C[C@H]3CC[C@@H](C2)[N@@H+]3C)c([N+](=O)[O-])c1 ZINC000295907140 528456985 /nfs/dbraw/zinc/45/69/85/528456985.db2.gz FMXYMKFRRCKHFM-AGUYFDCRSA-N 1 1 317.389 3.225 20 5 DGBDMO CC(C)[N@H+](Cc1c([N+](=O)[O-])ncn1C)[C@@H](C)c1ccccc1 ZINC000428875710 528935969 /nfs/dbraw/zinc/93/59/69/528935969.db2.gz WJQARWQVYBBZTQ-ZDUSSCGKSA-N 1 1 302.378 3.300 20 5 DGBDMO CC(C)[N@@H+](Cc1c([N+](=O)[O-])ncn1C)[C@@H](C)c1ccccc1 ZINC000428875710 528935973 /nfs/dbraw/zinc/93/59/73/528935973.db2.gz WJQARWQVYBBZTQ-ZDUSSCGKSA-N 1 1 302.378 3.300 20 5 DGBDMO CC[N@H+]1CCC[C@@H]1CNc1ccc([N+](=O)[O-])c2ncccc12 ZINC000314441703 529082568 /nfs/dbraw/zinc/08/25/68/529082568.db2.gz IFAXAOXNYWYAKH-GFCCVEGCSA-N 1 1 300.362 3.039 20 5 DGBDMO CC[C@@H]1CCC[N@@H+](CCOc2ccc(OC)cc2[N+](=O)[O-])CC1 ZINC000441395069 529298609 /nfs/dbraw/zinc/29/86/09/529298609.db2.gz NCOJGNWPMBOBCY-CQSZACIVSA-N 1 1 322.405 3.494 20 5 DGBDMO CC[C@@H](C)[N@@H+](C)CCNc1ccnc2c1cccc2[N+](=O)[O-] ZINC000318984016 529344165 /nfs/dbraw/zinc/34/41/65/529344165.db2.gz KHJVWOUKBHDRSJ-GFCCVEGCSA-N 1 1 302.378 3.285 20 5 DGBDMO COc1cc(C[N@H+]2CC[C@H]2Cc2ccccc2)ccc1[N+](=O)[O-] ZINC000490069738 536772759 /nfs/dbraw/zinc/77/27/59/536772759.db2.gz YDERQVVLIKQLBP-INIZCTEOSA-N 1 1 312.369 3.420 20 5 DGBDMO COCCc1cc[nH+]c(N[C@H](C)Cc2ccccc2[N+](=O)[O-])c1 ZINC000449323169 536832673 /nfs/dbraw/zinc/83/26/73/536832673.db2.gz SJZVYUNHRNVIGF-CYBMUJFWSA-N 1 1 315.373 3.222 20 5 DGBDMO O=[N+]([O-])c1ccc2nc(N[C@@H]3CC[N@H+]4CCC[C@H]4C3)sc2c1 ZINC000731206700 574545310 /nfs/dbraw/zinc/54/53/10/574545310.db2.gz PDMBAYJCPORCGG-MNOVXSKESA-N 1 1 318.402 3.243 20 5 DGBDMO CC(C)(C)C[N@@H+](CCCO)Cc1cc([N+](=O)[O-])ccc1Cl ZINC000735492515 574704169 /nfs/dbraw/zinc/70/41/69/574704169.db2.gz IFTFMRSNSHOOSX-UHFFFAOYSA-N 1 1 314.813 3.479 20 5 DGBDMO C[C@@H]([N@@H+](C)Cn1cc([N+](=O)[O-])c(-c2ccncc2)n1)C(C)(C)C ZINC000742145339 574982160 /nfs/dbraw/zinc/98/21/60/574982160.db2.gz RARCGFFIZKHRBQ-GFCCVEGCSA-N 1 1 317.393 3.177 20 5 DGBDMO O=[N+]([O-])c1ccc(N2CCC(c3[nH]cc[nH+]3)CC2)c(Cl)c1 ZINC000748536352 575592281 /nfs/dbraw/zinc/59/22/81/575592281.db2.gz CNCPCRFIXSTBMK-UHFFFAOYSA-N 1 1 306.753 3.355 20 5 DGBDMO O=C(OCc1cccc([N+](=O)[O-])c1)[C@@H]1CCC[N@H+]1C1CCCC1 ZINC000749352660 575647103 /nfs/dbraw/zinc/64/71/03/575647103.db2.gz MTHORNBWMLXJBT-INIZCTEOSA-N 1 1 318.373 3.045 20 5 DGBDMO Cc1nn(C[N@H+](CCC(C)C)C2CC2)c2ncc([N+](=O)[O-])cc12 ZINC000749939802 575690660 /nfs/dbraw/zinc/69/06/60/575690660.db2.gz BQAJMMLYDULBSZ-UHFFFAOYSA-N 1 1 317.393 3.116 20 5 DGBDMO Cc1nn(C[N@H+]2C[C@@H](C)CCC[C@H]2C)c2ncc([N+](=O)[O-])cc12 ZINC000749955905 575692536 /nfs/dbraw/zinc/69/25/36/575692536.db2.gz UYVNXNKZNIJVAC-NWDGAFQWSA-N 1 1 317.393 3.116 20 5 DGBDMO CC[N@H+](Cc1ccc(C)cc1)C[C@H](O)c1cccc([N+](=O)[O-])c1 ZINC000750037542 575699301 /nfs/dbraw/zinc/69/93/01/575699301.db2.gz NQCRJBYPXAZQOB-SFHVURJKSA-N 1 1 314.385 3.459 20 5 DGBDMO C[C@H]1C[N@@H+](C[C@H](O)c2cccc([N+](=O)[O-])c2)Cc2ccccc21 ZINC000750037888 575699489 /nfs/dbraw/zinc/69/94/89/575699489.db2.gz SIQFMDRDPJJJNT-UGSOOPFHSA-N 1 1 312.369 3.248 20 5 DGBDMO O=[N+]([O-])c1ccc(Cl)cc1C[N@H+]1CC[C@H]([C@H]2CCOC2)C1 ZINC000750252419 575714742 /nfs/dbraw/zinc/71/47/42/575714742.db2.gz KGRJHUDSAZXKKK-RYUDHWBXSA-N 1 1 310.781 3.107 20 5 DGBDMO Cc1cccc(C[N@H+](C)Cn2ncc3cc([N+](=O)[O-])ccc32)c1 ZINC000917482129 620670498 /nfs/dbraw/zinc/67/04/98/620670498.db2.gz DCFMFPXPXYZIBY-UHFFFAOYSA-N 1 1 310.357 3.342 20 5 DGBDMO Cc1cccc(C[N@@H+](C)Cn2ncc3cc([N+](=O)[O-])ccc32)c1 ZINC000917482129 620670503 /nfs/dbraw/zinc/67/05/03/620670503.db2.gz DCFMFPXPXYZIBY-UHFFFAOYSA-N 1 1 310.357 3.342 20 5 DGBDMO COc1cc(F)c([N+](=O)[O-])c(NC[C@H]2CC[N@H+]2C(C)(C)C)c1 ZINC000853747944 620732796 /nfs/dbraw/zinc/73/27/96/620732796.db2.gz DCNDHJLHBWBPQG-SNVBAGLBSA-N 1 1 311.357 3.027 20 5 DGBDMO O=[N+]([O-])c1cccc(-c2noc([C@H]3CC[N@@H+]3C3CCCC3)n2)c1 ZINC000923774335 618056476 /nfs/dbraw/zinc/05/64/76/618056476.db2.gz VUMHKVXZCWNHGZ-CQSZACIVSA-N 1 1 314.345 3.334 20 5 DGBDMO O=[N+]([O-])c1cccc(-c2noc([C@H]3CC[N@H+]3C3CCCC3)n2)c1 ZINC000923774335 618056480 /nfs/dbraw/zinc/05/64/80/618056480.db2.gz VUMHKVXZCWNHGZ-CQSZACIVSA-N 1 1 314.345 3.334 20 5 DGBDMO CCOc1ccc(C[N@@H+](C)CCc2ccccc2[N+](=O)[O-])o1 ZINC000894390955 618304379 /nfs/dbraw/zinc/30/43/79/618304379.db2.gz NGNLKMXEFGUVAW-UHFFFAOYSA-N 1 1 304.346 3.261 20 5 DGBDMO CC(=O)c1ccc(NCCn2cc[nH+]c2C(C)C)c([N+](=O)[O-])c1 ZINC000895989757 618858540 /nfs/dbraw/zinc/85/85/40/618858540.db2.gz SGQIKFCLFMFMAI-UHFFFAOYSA-N 1 1 316.361 3.229 20 5 DGBDMO COCCOc1ccc(C[NH2+][C@H](C)c2ccc([N+](=O)[O-])cc2)o1 ZINC000896509694 618919486 /nfs/dbraw/zinc/91/94/86/618919486.db2.gz HNSHEJPHXVBIQK-GFCCVEGCSA-N 1 1 320.345 3.064 20 5 DGBDMO COc1c(O)ccc(C[NH+]2CCC(F)(C3CC3)CC2)c1[N+](=O)[O-] ZINC000896946829 618991779 /nfs/dbraw/zinc/99/17/79/618991779.db2.gz ZUUNKPUGSOEUIQ-UHFFFAOYSA-N 1 1 324.352 3.023 20 5 DGBDMO C[C@@H](C[NH2+]C1CCN(CC2CC2)CC1)c1ccccc1[N+](=O)[O-] ZINC000897466497 619131005 /nfs/dbraw/zinc/13/10/05/619131005.db2.gz VXPQULGOYXHXEN-AWEZNQCLSA-N 1 1 317.433 3.162 20 5 DGBDMO CC[C@H]([NH2+]Cc1ccccc1[N+](=O)[O-])c1cccc(OC)n1 ZINC000925311266 619158637 /nfs/dbraw/zinc/15/86/37/619158637.db2.gz ROELITVUUQATRI-ZDUSSCGKSA-N 1 1 301.346 3.239 20 5 DGBDMO C[C@H]1C[N@@H+](Cc2ccc(-c3ccccc3[N+](=O)[O-])s2)C[C@H]1O ZINC000897684594 619173126 /nfs/dbraw/zinc/17/31/26/619173126.db2.gz SDHZUFZIHIAGMS-XHDPSFHLSA-N 1 1 318.398 3.136 20 5 DGBDMO COc1c(O)ccc(CNc2ccc(C3CC3)c[nH+]2)c1[N+](=O)[O-] ZINC000897715109 619175950 /nfs/dbraw/zinc/17/59/50/619175950.db2.gz GCYSOOBMNGOQMI-UHFFFAOYSA-N 1 1 315.329 3.194 20 5 DGBDMO CC(C)[N@@H+]1CCC[C@H]1C(=O)O[C@@H](C)c1cccc([N+](=O)[O-])c1 ZINC000923891704 619259507 /nfs/dbraw/zinc/25/95/07/619259507.db2.gz AUUIERWOYXNHPW-WFASDCNBSA-N 1 1 306.362 3.072 20 5 DGBDMO CC(C)[N@H+]1CCC[C@H]1C(=O)O[C@@H](C)c1cccc([N+](=O)[O-])c1 ZINC000923891704 619259509 /nfs/dbraw/zinc/25/95/09/619259509.db2.gz AUUIERWOYXNHPW-WFASDCNBSA-N 1 1 306.362 3.072 20 5 DGBDMO Cc1ccc([N+](=O)[O-])cc1[C@@H](C)[NH2+]Cc1cc(N(C)C)ccn1 ZINC000903202147 619735969 /nfs/dbraw/zinc/73/59/69/619735969.db2.gz XWKNBAQWWUOXDY-CYBMUJFWSA-N 1 1 314.389 3.215 20 5 DGBDMO C[C@H](c1ccccc1)[C@@H]1CCC[N@H+]1Cn1cc([N+](=O)[O-])cn1 ZINC000905738619 620024298 /nfs/dbraw/zinc/02/42/98/620024298.db2.gz DYVANZVYJCKSAA-CJNGLKHVSA-N 1 1 300.362 3.017 20 5 DGBDMO C[C@H](c1ccccc1[N+](=O)[O-])n1cc(C[N@@H+](C)C(C)(C)C)nn1 ZINC000905799865 620030470 /nfs/dbraw/zinc/03/04/70/620030470.db2.gz SNKUHRUXOMOUDX-GFCCVEGCSA-N 1 1 317.393 3.026 20 5 DGBDMO C[C@H](c1cccc([N+](=O)[O-])c1)n1cc(C[N@@H+](C)C(C)(C)C)nn1 ZINC000905788677 620032516 /nfs/dbraw/zinc/03/25/16/620032516.db2.gz PLQNZVOSHDRYKC-GFCCVEGCSA-N 1 1 317.393 3.026 20 5 DGBDMO CC1(C)CC[C@@H](CO)[N@H+](Cc2ccc(Cl)c([N+](=O)[O-])c2)C1 ZINC000856804646 621024027 /nfs/dbraw/zinc/02/40/27/621024027.db2.gz XLKWGDWRUWWAEV-LBPRGKRZSA-N 1 1 312.797 3.231 20 5 DGBDMO CC1(C)CC[C@@H](CO)[N@@H+](Cc2ccc(Cl)c([N+](=O)[O-])c2)C1 ZINC000856804646 621024030 /nfs/dbraw/zinc/02/40/30/621024030.db2.gz XLKWGDWRUWWAEV-LBPRGKRZSA-N 1 1 312.797 3.231 20 5 DGBDMO C[C@@H]1Cc2cc(C[NH2+]Cc3csc([N+](=O)[O-])c3)ccc2O1 ZINC000922702775 621087873 /nfs/dbraw/zinc/08/78/73/621087873.db2.gz QYYUNNYZGXUJNJ-SNVBAGLBSA-N 1 1 304.371 3.270 20 5 DGBDMO O=[N+]([O-])c1ccc(CCCC[NH2+][C@@H]2CCCc3c[nH]nc32)cc1 ZINC000857860298 621123979 /nfs/dbraw/zinc/12/39/79/621123979.db2.gz YKBXANQLVMISIL-MRXNPFEDSA-N 1 1 314.389 3.308 20 5 DGBDMO O=[N+]([O-])c1ccc(C[NH2+][C@@H]2CCc3ccc(Cl)nc32)cc1 ZINC000857906529 621129981 /nfs/dbraw/zinc/12/99/81/621129981.db2.gz YIPOOFBQNSSIRQ-CYBMUJFWSA-N 1 1 303.749 3.420 20 5 DGBDMO COC1CC(C[N@H+]2CCC[C@@H](c3ccc([N+](=O)[O-])cc3)C2)C1 ZINC000859325636 621270040 /nfs/dbraw/zinc/27/00/40/621270040.db2.gz YUJRGFIZSZHUMV-GNHJJJEISA-N 1 1 304.390 3.199 20 5 DGBDMO COCCC1CC[NH+](Cc2cc([N+](=O)[O-])ccc2Cl)CC1 ZINC000859399376 621274523 /nfs/dbraw/zinc/27/45/23/621274523.db2.gz TYDDWGKVZNFTTF-UHFFFAOYSA-N 1 1 312.797 3.497 20 5 DGBDMO C[C@H]1C[NH+](Cc2cc(F)ccc2[N+](=O)[O-])C[C@H](C)C1(F)F ZINC000859412852 621276029 /nfs/dbraw/zinc/27/60/29/621276029.db2.gz ZENGBTPOJMHKTJ-UWVGGRQHSA-N 1 1 302.296 3.457 20 5 DGBDMO O=[N+]([O-])c1ccc(Cl)cc1C[N@@H+]1CCCC[C@@H]1C1(O)CC1 ZINC000839140620 621340633 /nfs/dbraw/zinc/34/06/33/621340633.db2.gz RXKHNQPOFKQMEM-CQSZACIVSA-N 1 1 310.781 3.128 20 5 DGBDMO CCC[C@H](C)[N@@H+](C)CC(=O)Nc1cc(Cl)ccc1[N+](=O)[O-] ZINC000839462605 621372163 /nfs/dbraw/zinc/37/21/63/621372163.db2.gz NTYXAHABMOMUSE-JTQLQIEISA-N 1 1 313.785 3.307 20 5 DGBDMO Cc1cc(F)ccc1C[N@@H+](C)C[C@H](O)c1ccc([N+](=O)[O-])cc1 ZINC000753787490 621464633 /nfs/dbraw/zinc/46/46/33/621464633.db2.gz WSUCBAUNAALGHO-KRWDZBQOSA-N 1 1 318.348 3.208 20 5 DGBDMO Cc1ccnc(C2CC[NH+](Cc3csc([N+](=O)[O-])c3)CC2)n1 ZINC000755214244 621559035 /nfs/dbraw/zinc/55/90/35/621559035.db2.gz PARGIQPPZYWKAA-UHFFFAOYSA-N 1 1 318.402 3.134 20 5 DGBDMO O=[N+]([O-])c1ccc(Cl)cc1C[N@H+]1CCC[C@H]2COCC[C@H]21 ZINC000756902440 621671511 /nfs/dbraw/zinc/67/15/11/621671511.db2.gz SNRLBVPWDFRDHH-SMDDNHRTSA-N 1 1 310.781 3.249 20 5 DGBDMO CCC[C@@H]1CCC[N@@H+](Cn2ncc3ccc([N+](=O)[O-])cc32)C1 ZINC000757610370 621728057 /nfs/dbraw/zinc/72/80/57/621728057.db2.gz MKFJAMGKKVIFBX-CYBMUJFWSA-N 1 1 302.378 3.414 20 5 DGBDMO Cc1noc(C)c1CN(C)c1cc[nH+]c2ccc([N+](=O)[O-])cc21 ZINC000865437494 621920811 /nfs/dbraw/zinc/92/08/11/621920811.db2.gz OHCKOPSGDMCJKV-UHFFFAOYSA-N 1 1 312.329 3.384 20 5 DGBDMO O=[N+]([O-])c1ccc2[nH+]ccc(N3CCC(CCCO)CC3)c2c1 ZINC000865670008 621975086 /nfs/dbraw/zinc/97/50/86/621975086.db2.gz NABLSADQZVPINP-UHFFFAOYSA-N 1 1 315.373 3.132 20 5 DGBDMO Cc1nn(C[N@@H+]2CCC[C@H](C)CC2)c2cc([N+](=O)[O-])ccc12 ZINC000761289196 621999410 /nfs/dbraw/zinc/99/94/10/621999410.db2.gz DEZDKZHEWZBYGW-LBPRGKRZSA-N 1 1 302.378 3.332 20 5 DGBDMO Cc1nn(C[N@@H+]2C[C@@H]3CCCC[C@@H]3C2)c2cc([N+](=O)[O-])ccc12 ZINC000761293069 621999669 /nfs/dbraw/zinc/99/96/69/621999669.db2.gz PJJZYKLNMLLNGO-OKILXGFUSA-N 1 1 314.389 3.332 20 5 DGBDMO O=[N+]([O-])c1ccc(C[NH2+]Cc2cn3ccccc3n2)cc1Cl ZINC000761532617 622015160 /nfs/dbraw/zinc/01/51/60/622015160.db2.gz LQRYTBZTSUHEJX-UHFFFAOYSA-N 1 1 316.748 3.186 20 5 DGBDMO C[N@H+]1CC[C@@H]2CN(c3ccc([N+](=O)[O-])cc3C(F)F)CC[C@@H]21 ZINC000866209818 622066975 /nfs/dbraw/zinc/06/69/75/622066975.db2.gz VVBZOYWYIKJWBY-MFKMUULPSA-N 1 1 311.332 3.063 20 5 DGBDMO Cc1nn(C[N@H+](CC(C)C)C2CC2)c2cc([N+](=O)[O-])ccc12 ZINC000121089787 622129346 /nfs/dbraw/zinc/12/93/46/622129346.db2.gz KDMHTXFPBPEHDW-UHFFFAOYSA-N 1 1 302.378 3.331 20 5 DGBDMO CC[N@@H+](Cn1nc(C)c2ccc([N+](=O)[O-])cc21)C1CCCC1 ZINC000121107472 622131329 /nfs/dbraw/zinc/13/13/29/622131329.db2.gz MNNOHCYMBCGHRE-UHFFFAOYSA-N 1 1 302.378 3.475 20 5 DGBDMO C[C@H](C(=O)OCC[C@@H]1CCCC[N@H+]1C)c1cccc([N+](=O)[O-])c1 ZINC000763401836 622143470 /nfs/dbraw/zinc/14/34/70/622143470.db2.gz HPFKTFYTRMCFRI-ZFWWWQNUSA-N 1 1 320.389 3.116 20 5 DGBDMO C[C@H](c1cccc([N+](=O)[O-])c1)[N@@H+]1CCOc2cc(N)ccc2C1 ZINC000866691096 622157094 /nfs/dbraw/zinc/15/70/94/622157094.db2.gz LNFMZILDDYCCEL-GFCCVEGCSA-N 1 1 313.357 3.133 20 5 DGBDMO C[C@H](c1cccc([N+](=O)[O-])c1)[N@H+]1CCOc2cc(N)ccc2C1 ZINC000866691096 622157095 /nfs/dbraw/zinc/15/70/95/622157095.db2.gz LNFMZILDDYCCEL-GFCCVEGCSA-N 1 1 313.357 3.133 20 5 DGBDMO COc1cc(F)c([N+](=O)[O-])c(NC[C@@H]2CCCC[N@H+]2C2CC2)c1 ZINC000764940415 622234670 /nfs/dbraw/zinc/23/46/70/622234670.db2.gz JPIQVCYPYNKWFR-LBPRGKRZSA-N 1 1 323.368 3.171 20 5 DGBDMO CC[C@H]1C[C@@H](C)C[N@H+]1Cn1nc(C)c2cc([N+](=O)[O-])ccc21 ZINC000765058720 622243044 /nfs/dbraw/zinc/24/30/44/622243044.db2.gz XIQNDJXCTJBZNQ-YPMHNXCESA-N 1 1 302.378 3.331 20 5 DGBDMO C[C@H](C[C@@H]1CCCC[N@H+]1C)OC(=O)c1ccccc1[N+](=O)[O-] ZINC000870789910 622511479 /nfs/dbraw/zinc/51/14/79/622511479.db2.gz ZMTBAPHTNPBSBS-OLZOCXBDSA-N 1 1 306.362 3.015 20 5 DGBDMO C[C@@H]1CC[C@H](C)[N@@H+]1CC(=O)Nc1ccc(Cl)c([N+](=O)[O-])c1 ZINC000123362861 622521446 /nfs/dbraw/zinc/52/14/46/622521446.db2.gz XSUURKXEECOPFI-AOOOYVTPSA-N 1 1 311.769 3.060 20 5 DGBDMO O=[N+]([O-])c1cccc2c1CC[N@H+](Cc1ccc3c(c1)COC3)C2 ZINC000769425752 622527265 /nfs/dbraw/zinc/52/72/65/622527265.db2.gz KOAJNBPQLSZHAG-UHFFFAOYSA-N 1 1 310.353 3.183 20 5 DGBDMO O=[N+]([O-])c1cccc2c1CC[N@@H+](Cc1ccc3c(c1)COC3)C2 ZINC000769425752 622527268 /nfs/dbraw/zinc/52/72/68/622527268.db2.gz KOAJNBPQLSZHAG-UHFFFAOYSA-N 1 1 310.353 3.183 20 5 DGBDMO C[N@@H+](Cc1c2ccccc2cc2ccccc21)CC(C)(CO)CO ZINC000769448385 622528817 /nfs/dbraw/zinc/52/88/17/622528817.db2.gz NIEOTUKMJDYVQL-UHFFFAOYSA-N 1 1 323.436 3.416 20 5 DGBDMO Cc1cc(C)cc(C[N@@H+](C)C[C@@H](O)c2cccc([N+](=O)[O-])c2)c1 ZINC000769844650 622567949 /nfs/dbraw/zinc/56/79/49/622567949.db2.gz BFEUWZAGHWYJSY-GOSISDBHSA-N 1 1 314.385 3.377 20 5 DGBDMO C[C@@H]1CC[N@@H+](Cn2ncc3ccc([N+](=O)[O-])cc32)CC12CCC2 ZINC000770671696 622660053 /nfs/dbraw/zinc/66/00/53/622660053.db2.gz UMBKDWQQLNPQPS-CYBMUJFWSA-N 1 1 314.389 3.414 20 5 DGBDMO CSc1ccc([N+](=O)[O-])cc1[C@H](C)[NH2+]C1CCN(C)CC1 ZINC000872018084 622753638 /nfs/dbraw/zinc/75/36/38/622753638.db2.gz ICCQGKIYDIGWLR-NSHDSACASA-N 1 1 309.435 3.062 20 5 DGBDMO C[C@@H]([NH2+][C@H]1CCCc2c1cnn2C)c1c(F)cccc1[N+](=O)[O-] ZINC000872020952 622756370 /nfs/dbraw/zinc/75/63/70/622756370.db2.gz LOBCTLSJQUACHE-MFKMUULPSA-N 1 1 318.352 3.196 20 5 DGBDMO C[C@H]([NH2+]C[C@@H](O)c1ccccc1F)c1c(F)cccc1[N+](=O)[O-] ZINC000872024473 622758124 /nfs/dbraw/zinc/75/81/24/622758124.db2.gz SGVXDBXCUOZZTM-ZUZCIYMTSA-N 1 1 322.311 3.257 20 5 DGBDMO CCC[N@H+]1CC[C@H](CN[C@H](C)c2c(F)cccc2[N+](=O)[O-])C1 ZINC000872024933 622759113 /nfs/dbraw/zinc/75/91/13/622759113.db2.gz XNBJIKFMHKMESS-CHWSQXEVSA-N 1 1 309.385 3.116 20 5 DGBDMO C[C@H]([NH2+]C[C@@H](O)c1ccsc1)c1c(F)cccc1[N+](=O)[O-] ZINC000872038011 622768000 /nfs/dbraw/zinc/76/80/00/622768000.db2.gz JSESKZIUGOTGGX-TVQRCGJNSA-N 1 1 310.350 3.180 20 5 DGBDMO CCn1cc(C[NH2+][C@@H](C)c2cc([N+](=O)[O-])ccc2SC)cn1 ZINC000872046196 622772228 /nfs/dbraw/zinc/77/22/28/622772228.db2.gz VLAGGZIFMBBNKI-NSHDSACASA-N 1 1 320.418 3.384 20 5 DGBDMO CSc1ccc([N+](=O)[O-])cc1[C@H](C)[NH2+]Cc1cc(C)ncn1 ZINC000872051385 622776713 /nfs/dbraw/zinc/77/67/13/622776713.db2.gz KFTDPRAFTFXQDA-NSHDSACASA-N 1 1 318.402 3.266 20 5 DGBDMO CSc1ccc([N+](=O)[O-])cc1[C@H](C)NCC1=CC[N@H+](C)CC1 ZINC000872054483 622779330 /nfs/dbraw/zinc/77/93/30/622779330.db2.gz XAHSVLDTVAHGCJ-LBPRGKRZSA-N 1 1 321.446 3.229 20 5 DGBDMO CSc1ccc([N+](=O)[O-])cc1[C@H](C)NCC1=CC[N@@H+](C)CC1 ZINC000872054483 622779334 /nfs/dbraw/zinc/77/93/34/622779334.db2.gz XAHSVLDTVAHGCJ-LBPRGKRZSA-N 1 1 321.446 3.229 20 5 DGBDMO C[C@@H](N[C@H]1CC[N@H+](C(C)(C)C)C1)c1c(F)cccc1[N+](=O)[O-] ZINC000872086430 622797055 /nfs/dbraw/zinc/79/70/55/622797055.db2.gz WONNJYPHRJGPPC-NEPJUHHUSA-N 1 1 309.385 3.257 20 5 DGBDMO C[C@H](N[C@@H]1CC[N@H+](C(C)(C)C)C1)c1c(F)cccc1[N+](=O)[O-] ZINC000872086431 622797283 /nfs/dbraw/zinc/79/72/83/622797283.db2.gz WONNJYPHRJGPPC-NWDGAFQWSA-N 1 1 309.385 3.257 20 5 DGBDMO CSc1ccc([N+](=O)[O-])cc1[C@@H](C)[NH2+][C@@H](C)c1ccnn1C ZINC000872093438 622802565 /nfs/dbraw/zinc/80/25/65/622802565.db2.gz VDASUJMJAZSYDU-MNOVXSKESA-N 1 1 320.418 3.462 20 5 DGBDMO Cc1ccc([N+](=O)[O-])c(C)c1C[N@H+]1CCO[C@@H](C(F)F)CC1 ZINC000872253831 622868555 /nfs/dbraw/zinc/86/85/55/622868555.db2.gz KLBVPTWSHLJXNS-CQSZACIVSA-N 1 1 314.332 3.068 20 5 DGBDMO C[C@@H](c1ccccc1[N+](=O)[O-])[N@@H+]1CCN(C)c2ncccc2C1 ZINC000872317968 622890170 /nfs/dbraw/zinc/89/01/70/622890170.db2.gz DPUSEBGDTYJTGR-ZDUSSCGKSA-N 1 1 312.373 3.003 20 5 DGBDMO C[C@@H](c1ccccc1[N+](=O)[O-])[N@H+]1CCN(C)c2ncccc2C1 ZINC000872317968 622890175 /nfs/dbraw/zinc/89/01/75/622890175.db2.gz DPUSEBGDTYJTGR-ZDUSSCGKSA-N 1 1 312.373 3.003 20 5 DGBDMO CC1(F)CC[NH+](Cn2cc(-c3cccc([N+](=O)[O-])c3)cn2)CC1 ZINC000872691296 622953319 /nfs/dbraw/zinc/95/33/19/622953319.db2.gz GADYLACUYOIDNQ-UHFFFAOYSA-N 1 1 318.352 3.240 20 5 DGBDMO CCOc1ccc([C@H](C)[NH2+]Cc2cccc(F)n2)cc1[N+](=O)[O-] ZINC000773091397 622981799 /nfs/dbraw/zinc/98/17/99/622981799.db2.gz WWUKUUVVWHWATL-NSHDSACASA-N 1 1 319.336 3.378 20 5 DGBDMO CCC[N@H+]1CC[C@H](CNCc2c(C)ccc([N+](=O)[O-])c2C)C1 ZINC000873020498 623019008 /nfs/dbraw/zinc/01/90/08/623019008.db2.gz UOJODSBNCDFCOG-OAHLLOKOSA-N 1 1 305.422 3.033 20 5 DGBDMO Cc1nccnc1[C@H](C)[NH2+]Cc1ccc(Cl)c([N+](=O)[O-])c1 ZINC000873189930 623067486 /nfs/dbraw/zinc/06/74/86/623067486.db2.gz UHHDDTHDPVQAOT-JTQLQIEISA-N 1 1 306.753 3.197 20 5 DGBDMO CC[C@H]1[C@H](C)CC[N@H+]1Cn1nc(C)c2cc([N+](=O)[O-])ccc21 ZINC000774620737 623167298 /nfs/dbraw/zinc/16/72/98/623167298.db2.gz VRMKFUAAWIPIEU-ABAIWWIYSA-N 1 1 302.378 3.331 20 5 DGBDMO CC(C)[N@@H+](Cn1ncc2cc([N+](=O)[O-])cc(Cl)c21)C1CC1 ZINC000774636461 623168528 /nfs/dbraw/zinc/16/85/28/623168528.db2.gz UUAAIGPAPHLGOS-UHFFFAOYSA-N 1 1 308.769 3.428 20 5 DGBDMO CC[N@@H+]1CCCC[C@H]1C(=O)O[C@@H](C)c1ccccc1[N+](=O)[O-] ZINC000124743453 623222304 /nfs/dbraw/zinc/22/23/04/623222304.db2.gz OBNHNMBDTJGVBD-WFASDCNBSA-N 1 1 306.362 3.073 20 5 DGBDMO CC[N@H+]1CCCC[C@H]1C(=O)O[C@@H](C)c1ccccc1[N+](=O)[O-] ZINC000124743453 623222309 /nfs/dbraw/zinc/22/23/09/623222309.db2.gz OBNHNMBDTJGVBD-WFASDCNBSA-N 1 1 306.362 3.073 20 5 DGBDMO C[C@@H]1C[N@@H+](Cc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])CC(C)(C)C1 ZINC000775060055 623223869 /nfs/dbraw/zinc/22/38/69/623223869.db2.gz GDFZRCXJRALKQD-NSHDSACASA-N 1 1 307.350 3.371 20 5 DGBDMO COc1ccc([N+](=O)[O-])cc1C[NH2+][C@H](c1ccccn1)C(C)C ZINC000775447066 623276010 /nfs/dbraw/zinc/27/60/10/623276010.db2.gz WDZJFCANAWUODB-KRWDZBQOSA-N 1 1 315.373 3.485 20 5 DGBDMO C[C@H](c1ccccc1)[N@@H+](C)C[C@@H](O)c1ccc([N+](=O)[O-])cc1 ZINC000776271124 623405270 /nfs/dbraw/zinc/40/52/70/623405270.db2.gz HYLSPYYLBVMUOQ-CXAGYDPISA-N 1 1 300.358 3.321 20 5 DGBDMO C[C@@H](c1cccs1)[N@@H+](C)C[C@H](O)c1ccc([N+](=O)[O-])cc1 ZINC000776278584 623405804 /nfs/dbraw/zinc/40/58/04/623405804.db2.gz RJVVBXXCZBVMAI-FZMZJTMJSA-N 1 1 306.387 3.383 20 5 DGBDMO C[C@H]1c2ccccc2CC[N@@H+]1C[C@@H](O)c1ccc([N+](=O)[O-])cc1 ZINC000776582675 623442825 /nfs/dbraw/zinc/44/28/25/623442825.db2.gz SVUMKWATDXOBGN-SCLBCKFNSA-N 1 1 312.369 3.248 20 5 DGBDMO CC(C)(C)C1=CC[N@@H+](C[C@@H](O)c2ccc([N+](=O)[O-])cc2)CC1 ZINC000776592826 623445103 /nfs/dbraw/zinc/44/51/03/623445103.db2.gz AVUYKMROKJDLJN-MRXNPFEDSA-N 1 1 304.390 3.306 20 5 DGBDMO Cc1cc(N[C@H]2CCn3cc[nH+]c3C2)c(Cl)cc1[N+](=O)[O-] ZINC000777802681 623570219 /nfs/dbraw/zinc/57/02/19/623570219.db2.gz SAXNBKQAMXRPPC-JTQLQIEISA-N 1 1 306.753 3.180 20 5 DGBDMO CC[N@@H+](Cn1cc(-c2cccc([N+](=O)[O-])c2)cn1)C1CCC1 ZINC000777955994 623590176 /nfs/dbraw/zinc/59/01/76/623590176.db2.gz WDMMMMLJOCGOLH-UHFFFAOYSA-N 1 1 300.362 3.290 20 5 DGBDMO Cc1nn(C[N@H+]2CCC[C@H]2CCC2CCCC2)cc1[N+](=O)[O-] ZINC000779866165 623824314 /nfs/dbraw/zinc/82/43/14/623824314.db2.gz CKABFCGLPAQXOH-HNNXBMFYSA-N 1 1 306.410 3.492 20 5 DGBDMO CC(C)[C@H]1CCC[N@@H+](Cn2ncc3ccc([N+](=O)[O-])cc32)C1 ZINC000780499350 623940551 /nfs/dbraw/zinc/94/05/51/623940551.db2.gz SIGXGKRORVQKRY-AWEZNQCLSA-N 1 1 302.378 3.270 20 5 DGBDMO O=[N+]([O-])c1ccc(C[N@H+]2CC[C@@H]3CSC[C@H]3C2)cc1Cl ZINC000877738592 624012252 /nfs/dbraw/zinc/01/22/52/624012252.db2.gz OPJYVIDEUQSEFE-VXGBXAGGSA-N 1 1 312.822 3.433 20 5 DGBDMO CC(C)(O)C1CC[NH+](Cc2ccc([N+](=O)[O-])cc2Cl)CC1 ZINC000877753413 624019386 /nfs/dbraw/zinc/01/93/86/624019386.db2.gz DAJRIPAEQOKAGX-UHFFFAOYSA-N 1 1 312.797 3.231 20 5 DGBDMO CC(C)(O)C1CC[NH+](Cc2ccc(Cl)c([N+](=O)[O-])c2)CC1 ZINC000877754469 624020663 /nfs/dbraw/zinc/02/06/63/624020663.db2.gz HJFICDQKIFRLHZ-UHFFFAOYSA-N 1 1 312.797 3.231 20 5 DGBDMO CC(C)(O)[C@@H]1CCC[N@@H+](Cc2ccc([N+](=O)[O-])c(Cl)c2)C1 ZINC000877796760 624037894 /nfs/dbraw/zinc/03/78/94/624037894.db2.gz LTWLGGGXZYFKSN-GFCCVEGCSA-N 1 1 312.797 3.231 20 5 DGBDMO Cc1csc([C@H]2CC[N@@H+](Cc3ccccc3[N+](=O)[O-])C2)n1 ZINC000877812670 624044684 /nfs/dbraw/zinc/04/46/84/624044684.db2.gz DRALGZNVIQUMNJ-ZDUSSCGKSA-N 1 1 303.387 3.349 20 5 DGBDMO C[C@H]1C[N@H+](Cc2ccc([N+](=O)[O-])cc2)CC[C@@H](C(F)(F)F)O1 ZINC000877823460 624055093 /nfs/dbraw/zinc/05/50/93/624055093.db2.gz LQEOZMRINJJRTE-GWCFXTLKSA-N 1 1 318.295 3.137 20 5 DGBDMO C[C@H]1C[N@@H+](Cc2ccc([N+](=O)[O-])cc2)CC[C@@H](C(F)(F)F)O1 ZINC000877823460 624055096 /nfs/dbraw/zinc/05/50/96/624055096.db2.gz LQEOZMRINJJRTE-GWCFXTLKSA-N 1 1 318.295 3.137 20 5 DGBDMO C[C@@H]1C[N@H+](Cc2cccc([N+](=O)[O-])c2)CC[C@@H](C(F)(F)F)O1 ZINC000877823603 624056825 /nfs/dbraw/zinc/05/68/25/624056825.db2.gz MRLAYGCYKZVNQP-MFKMUULPSA-N 1 1 318.295 3.137 20 5 DGBDMO C[C@@H]1C[N@@H+](Cc2cccc([N+](=O)[O-])c2)CC[C@@H](C(F)(F)F)O1 ZINC000877823603 624056830 /nfs/dbraw/zinc/05/68/30/624056830.db2.gz MRLAYGCYKZVNQP-MFKMUULPSA-N 1 1 318.295 3.137 20 5 DGBDMO O=[N+]([O-])c1cc(Cl)ccc1-c1nnc(C[NH+]2CCCCC2)o1 ZINC000877945444 624104490 /nfs/dbraw/zinc/10/44/90/624104490.db2.gz XEPSMDJNDOOJNH-UHFFFAOYSA-N 1 1 322.752 3.284 20 5 DGBDMO CC(C)C[N@@H+](C)Cc1nnc(-c2ccc(Cl)cc2[N+](=O)[O-])o1 ZINC000878001302 624130442 /nfs/dbraw/zinc/13/04/42/624130442.db2.gz PFLJFHLVCDVXEK-UHFFFAOYSA-N 1 1 324.768 3.386 20 5 DGBDMO CCC[N@@H+](C)Cc1nnc(-c2ccc(Cl)cc2[N+](=O)[O-])o1 ZINC000878013487 624134812 /nfs/dbraw/zinc/13/48/12/624134812.db2.gz JDKBKIJHPZBUKN-UHFFFAOYSA-N 1 1 310.741 3.140 20 5 DGBDMO C[C@@H]1CCCCC[N@H+]1Cc1nnc(-c2ccccc2[N+](=O)[O-])o1 ZINC000878106025 624170739 /nfs/dbraw/zinc/17/07/39/624170739.db2.gz KCWWTDZQTGXKCB-GFCCVEGCSA-N 1 1 316.361 3.409 20 5 DGBDMO C[C@H]1CCC[N@@H+](Cc2nnc(-c3ccccc3[N+](=O)[O-])o2)[C@H]1C ZINC000878128584 624181252 /nfs/dbraw/zinc/18/12/52/624181252.db2.gz ANNXMTAESKLHBL-RYUDHWBXSA-N 1 1 316.361 3.265 20 5 DGBDMO CC[C@H]1C[C@H](C)C[N@H+]1Cc1nnc(-c2ccccc2[N+](=O)[O-])o1 ZINC000878155521 624192237 /nfs/dbraw/zinc/19/22/37/624192237.db2.gz CGVGESGBPVFWLV-RYUDHWBXSA-N 1 1 316.361 3.265 20 5 DGBDMO CC[C@@H]1C[C@H](C)C[N@H+]1Cc1nnc(-c2ccccc2[N+](=O)[O-])o1 ZINC000878155519 624192273 /nfs/dbraw/zinc/19/22/73/624192273.db2.gz CGVGESGBPVFWLV-NWDGAFQWSA-N 1 1 316.361 3.265 20 5 DGBDMO C[C@@H]1C[N@@H+](Cn2ncc3cc([N+](=O)[O-])ccc32)[C@@H]2CCCC[C@@H]21 ZINC000782274605 624230832 /nfs/dbraw/zinc/23/08/32/624230832.db2.gz BRZOBCSGZABAFS-SRCQZFHVSA-N 1 1 314.389 3.413 20 5 DGBDMO C[C@@H]1C[N@@H+](Cn2ncc3ccc([N+](=O)[O-])cc32)[C@H]2CCCC[C@H]12 ZINC000782278961 624231817 /nfs/dbraw/zinc/23/18/17/624231817.db2.gz ZVMASMKAWKWJTL-WQVCFCJDSA-N 1 1 314.389 3.413 20 5 DGBDMO C[C@@H]1C[N@@H+](C[C@H](O)c2ccc([N+](=O)[O-])cc2)[C@@H]2CCCC[C@H]21 ZINC000782502861 624257296 /nfs/dbraw/zinc/25/72/96/624257296.db2.gz HVIGJJOYUIZSAZ-ZFVVBOAOSA-N 1 1 304.390 3.139 20 5 DGBDMO CC1=C(C)C[N@H+](Cc2nnc(-c3ccccc3[N+](=O)[O-])o2)CC1 ZINC000878545959 624303624 /nfs/dbraw/zinc/30/36/24/624303624.db2.gz FJJVCWQDRPPIOG-UHFFFAOYSA-N 1 1 314.345 3.187 20 5 DGBDMO CC1=C(C)C[N@@H+](Cc2nnc(-c3ccccc3[N+](=O)[O-])o2)CC1 ZINC000878545959 624303625 /nfs/dbraw/zinc/30/36/25/624303625.db2.gz FJJVCWQDRPPIOG-UHFFFAOYSA-N 1 1 314.345 3.187 20 5 DGBDMO C[N@H+](CCc1cccc([N+](=O)[O-])c1)Cc1nc2c(o1)CCCC2 ZINC000878566350 624309305 /nfs/dbraw/zinc/30/93/05/624309305.db2.gz YYJOMRQYMNGISC-UHFFFAOYSA-N 1 1 315.373 3.136 20 5 DGBDMO C[N@@H+](CCc1cccc([N+](=O)[O-])c1)Cc1nc2c(o1)CCCC2 ZINC000878566350 624309307 /nfs/dbraw/zinc/30/93/07/624309307.db2.gz YYJOMRQYMNGISC-UHFFFAOYSA-N 1 1 315.373 3.136 20 5 DGBDMO C[N@@H+](CCc1ccccc1[N+](=O)[O-])C[C@@H]1C[C@@H]2CCC[C@@H]2O1 ZINC000878598317 624318639 /nfs/dbraw/zinc/31/86/39/624318639.db2.gz CHMKOSDZACUXSU-ZOBUZTSGSA-N 1 1 304.390 3.027 20 5 DGBDMO Cc1ncc([N+](=O)[O-])n1CC[N@H+]1C[C@@H](C)C[C@H]1c1ccccc1 ZINC000878612598 624321880 /nfs/dbraw/zinc/32/18/80/624321880.db2.gz RNZHGJQPPCIHBA-BBRMVZONSA-N 1 1 314.389 3.183 20 5 DGBDMO C[C@H](CO)[N@@H+](Cc1cc([N+](=O)[O-])ccc1Cl)C1CCCC1 ZINC000805751340 624391927 /nfs/dbraw/zinc/39/19/27/624391927.db2.gz HNKMXVHNPVDXAC-LLVKDONJSA-N 1 1 312.797 3.374 20 5 DGBDMO Cc1ccc(C[N@H+]2CC[C@H](O)[C@H]3CCCC[C@@H]32)cc1[N+](=O)[O-] ZINC000879417672 624539191 /nfs/dbraw/zinc/53/91/91/624539191.db2.gz FQNCFEMZUVICIL-ZOBUZTSGSA-N 1 1 304.390 3.029 20 5 DGBDMO O=[N+]([O-])c1cc(F)c(C[N@@H+]2CC[C@H]3CSC[C@@H]3C2)c(F)c1 ZINC000879566363 624592478 /nfs/dbraw/zinc/59/24/78/624592478.db2.gz UOAHAKFZBVWFBK-UWVGGRQHSA-N 1 1 314.357 3.058 20 5 DGBDMO O=[N+]([O-])c1cc(F)c(C[N@H+]2CC[C@H]3CSC[C@@H]3C2)c(F)c1 ZINC000879566363 624592484 /nfs/dbraw/zinc/59/24/84/624592484.db2.gz UOAHAKFZBVWFBK-UWVGGRQHSA-N 1 1 314.357 3.058 20 5 DGBDMO C[C@@H](O)[C@@H]1C[C@H](C)CC[N@H+]1Cc1cc([N+](=O)[O-])ccc1Cl ZINC000785541723 624684343 /nfs/dbraw/zinc/68/43/43/624684343.db2.gz VXNSKOFDVAMCBF-HFAKWTLXSA-N 1 1 312.797 3.230 20 5 DGBDMO Cc1csc([C@@H]2CC[N@@H+](Cc3ccc([N+](=O)[O-])c(F)c3)C2)n1 ZINC000880011200 624752552 /nfs/dbraw/zinc/75/25/52/624752552.db2.gz IQXWZBVIPMDUGH-GFCCVEGCSA-N 1 1 321.377 3.488 20 5 DGBDMO Cc1csc([C@@H]2CC[N@@H+](Cc3ccc(F)cc3[N+](=O)[O-])C2)n1 ZINC000880013593 624755764 /nfs/dbraw/zinc/75/57/64/624755764.db2.gz SHJWRCIISPAGDS-GFCCVEGCSA-N 1 1 321.377 3.488 20 5 DGBDMO C/C(=C/c1cccc([N+](=O)[O-])c1)CNCC[N@H+]1CCC[C@H]1C ZINC000786818465 624956016 /nfs/dbraw/zinc/95/60/16/624956016.db2.gz YSFUMAXFDSFREA-QKXCFHHRSA-N 1 1 303.406 3.072 20 5 DGBDMO C/C(=C/c1cccc([N+](=O)[O-])c1)CNCC[N@@H+]1CCC[C@H]1C ZINC000786818465 624956021 /nfs/dbraw/zinc/95/60/21/624956021.db2.gz YSFUMAXFDSFREA-QKXCFHHRSA-N 1 1 303.406 3.072 20 5 DGBDMO CC[N@H+](Cc1ccc(F)cc1[N+](=O)[O-])[C@@H](CO)c1ccccc1 ZINC000880462485 624961882 /nfs/dbraw/zinc/96/18/82/624961882.db2.gz HUMHCTOQZDCJOH-KRWDZBQOSA-N 1 1 318.348 3.289 20 5 DGBDMO CC[N@@H+](Cc1ccc(F)cc1[N+](=O)[O-])[C@@H](CO)c1ccccc1 ZINC000880462485 624961883 /nfs/dbraw/zinc/96/18/83/624961883.db2.gz HUMHCTOQZDCJOH-KRWDZBQOSA-N 1 1 318.348 3.289 20 5 DGBDMO C[C@@H]1CCC[C@H](C)[N@@H+]1CCC(=O)Nc1cc([N+](=O)[O-])ccc1F ZINC000128592692 625023039 /nfs/dbraw/zinc/02/30/39/625023039.db2.gz OZDXVOQXMZBWJO-TXEJJXNPSA-N 1 1 323.368 3.325 20 5 DGBDMO C[C@H](CO)[N@@H+](Cc1ccc(Cl)c([N+](=O)[O-])c1)C1CCCC1 ZINC000788466171 625185236 /nfs/dbraw/zinc/18/52/36/625185236.db2.gz FTFBVWJKGJKZLM-LLVKDONJSA-N 1 1 312.797 3.374 20 5 DGBDMO CC(C)(C)[C@@H]1CCC[N@@H+](C[C@@H](O)c2cccc([N+](=O)[O-])c2)C1 ZINC000796576054 626063158 /nfs/dbraw/zinc/06/31/58/626063158.db2.gz RLBQIPQMMFEPDN-GDBMZVCRSA-N 1 1 306.406 3.386 20 5 DGBDMO CC(C)(C)[C@@H]1CCC[N@@H+](C[C@H](O)c2ccc([N+](=O)[O-])cc2)C1 ZINC000796575266 626063166 /nfs/dbraw/zinc/06/31/66/626063166.db2.gz LMHWOTLRWXRRMY-ZBFHGGJFSA-N 1 1 306.406 3.386 20 5 DGBDMO CC(C)(C)[C@H]1CCC[N@@H+](C[C@@H](O)c2ccc([N+](=O)[O-])cc2)C1 ZINC000796575263 626063303 /nfs/dbraw/zinc/06/33/03/626063303.db2.gz LMHWOTLRWXRRMY-GOEBONIOSA-N 1 1 306.406 3.386 20 5 DGBDMO O=[N+]([O-])c1ccc([C@H](O)C[N@@H+](CC2CC2)CC2CCC2)cc1 ZINC000796579196 626063683 /nfs/dbraw/zinc/06/36/83/626063683.db2.gz DRVOCEXGFDUAFR-QGZVFWFLSA-N 1 1 304.390 3.140 20 5 DGBDMO O=[N+]([O-])c1ccc(C[N@H+]2CCC[C@]3(CCCOC3)C2)cc1F ZINC000801519163 626407110 /nfs/dbraw/zinc/40/71/10/626407110.db2.gz IPJSJCSGBJSMPY-INIZCTEOSA-N 1 1 308.353 3.127 20 5 DGBDMO C[N@H+]1CCCC[C@H]1CCC(=O)OCc1c(F)cccc1[N+](=O)[O-] ZINC000803856199 626644469 /nfs/dbraw/zinc/64/44/69/626644469.db2.gz MPJDAVOGJFFTHE-LBPRGKRZSA-N 1 1 324.352 3.042 20 5 DGBDMO C[C@@H]1C[C@H](C)C[N@H+](CCCCNc2ccc(N)cc2[N+](=O)[O-])C1 ZINC000804352919 626673118 /nfs/dbraw/zinc/67/31/18/626673118.db2.gz ZBQQRYCVAPFGOP-OKILXGFUSA-N 1 1 320.437 3.347 20 5 DGBDMO C[N@@H+](CCNc1c([N+](=O)[O-])cccc1[N+](=O)[O-])C1CCCCC1 ZINC000804378916 626674938 /nfs/dbraw/zinc/67/49/38/626674938.db2.gz DSLNDNQJZPBZSA-UHFFFAOYSA-N 1 1 322.365 3.179 20 5 DGBDMO CCCC[N@H+]1CCCC[C@@H]1CNc1ccc(N)cc1[N+](=O)[O-] ZINC000804399663 626676813 /nfs/dbraw/zinc/67/68/13/626676813.db2.gz BNJSRBMRBVRMSL-CQSZACIVSA-N 1 1 306.410 3.244 20 5 DGBDMO CC(=O)c1ccc([N+](=O)[O-])cc1NC[C@@H]1CC[N@H+](CC(C)C)C1 ZINC000807993457 626784223 /nfs/dbraw/zinc/78/42/23/626784223.db2.gz FEBMMSVIFAPYKE-AWEZNQCLSA-N 1 1 319.405 3.187 20 5 DGBDMO O=[N+]([O-])c1cccc2c1CC[N@H+](CC[C@H](O)c1ccccc1)C2 ZINC000808740465 626857172 /nfs/dbraw/zinc/85/71/72/626857172.db2.gz QAWBYBJOEKRVIY-SFHVURJKSA-N 1 1 312.369 3.077 20 5 DGBDMO CCCC[N@@H+](C)C[C@@H](C)NCc1cc([N+](=O)[O-])ccc1Cl ZINC000810163179 626983167 /nfs/dbraw/zinc/98/31/67/626983167.db2.gz LNGXSQKQOLDMCT-GFCCVEGCSA-N 1 1 313.829 3.458 20 5 DGBDMO CC(C)[N@H+](Cc1ccc([N+](=O)[O-])cc1)C[C@H]1C[C@]12CCOC2 ZINC000885965906 627072337 /nfs/dbraw/zinc/07/23/37/627072337.db2.gz YAXLLUKKQSHDKT-WBVHZDCISA-N 1 1 304.390 3.232 20 5 DGBDMO C[C@H](c1cccc([N+](=O)[O-])c1)[N@H+]1CCC[C@@H](c2ncccn2)C1 ZINC000886676743 627187407 /nfs/dbraw/zinc/18/74/07/627187407.db2.gz LIVLCHFUUNKDLG-UKRRQHHQSA-N 1 1 312.373 3.325 20 5 DGBDMO CCCC[N@@H+](C)C[C@@H](C)NCc1ccc([N+](=O)[O-])c(Cl)c1 ZINC000811511351 627285596 /nfs/dbraw/zinc/28/55/96/627285596.db2.gz GVSSCQRMKZBVDH-GFCCVEGCSA-N 1 1 313.829 3.458 20 5 DGBDMO CCCCN(C)C[C@@H](C)[NH2+]Cc1ccc([N+](=O)[O-])c(Cl)c1 ZINC000811511351 627285597 /nfs/dbraw/zinc/28/55/97/627285597.db2.gz GVSSCQRMKZBVDH-GFCCVEGCSA-N 1 1 313.829 3.458 20 5 DGBDMO CCCN(C(=O)[C@H]1CC[N@@H+](C)[C@@H](C)C1)c1cccc([N+](=O)[O-])c1 ZINC000890409260 627533322 /nfs/dbraw/zinc/53/33/22/627533322.db2.gz BKXZJHKZZWHEPL-KBPBESRZSA-N 1 1 319.405 3.068 20 5 DGBDMO O=[N+]([O-])c1ccc(Cl)c(C[N@@H+]2CCC[C@H](CCO)CC2)c1 ZINC000817299098 627879621 /nfs/dbraw/zinc/87/96/21/627879621.db2.gz VGINVGVBLAJTEV-LBPRGKRZSA-N 1 1 312.797 3.233 20 5 DGBDMO COc1ccnc([C@@H](C)[NH2+][C@H](C)c2ccc([N+](=O)[O-])cc2)c1 ZINC000926890102 627972665 /nfs/dbraw/zinc/97/26/65/627972665.db2.gz AUAAEVHYZHANIJ-VXGBXAGGSA-N 1 1 301.346 3.410 20 5 DGBDMO COc1cc([C@H](C)[NH2+][C@@H](C)c2ccc(C)c([N+](=O)[O-])c2)on1 ZINC000820822755 628300784 /nfs/dbraw/zinc/30/07/84/628300784.db2.gz KKFVOYGHGCBVHS-QWRGUYRKSA-N 1 1 305.334 3.312 20 5 DGBDMO C[C@H]([NH2+]Cc1nc2c(s1)CCC2)c1ccc([N+](=O)[O-])cc1 ZINC000824462838 628662957 /nfs/dbraw/zinc/66/29/57/628662957.db2.gz SGKNBENFMLNKRJ-JTQLQIEISA-N 1 1 303.387 3.391 20 5 DGBDMO COC[C@H]1CCC[N@@H+](Cc2cc([N+](=O)[O-])ccc2Cl)CC1 ZINC000825322052 628749486 /nfs/dbraw/zinc/74/94/86/628749486.db2.gz WIDGUOVBAPBHBF-LBPRGKRZSA-N 1 1 312.797 3.497 20 5 DGBDMO O=[N+]([O-])c1cccc(Br)c1C[N@@H+]1CC[C@@H]2C[C@@H]2C1 ZINC000827507024 628965683 /nfs/dbraw/zinc/96/56/83/628965683.db2.gz ROADJXZAFVZRLI-NXEZZACHSA-N 1 1 311.179 3.199 20 5 DGBDMO O=[N+]([O-])c1cccc(Br)c1C[N@H+]1CC[C@@H]2C[C@@H]2C1 ZINC000827507024 628965684 /nfs/dbraw/zinc/96/56/84/628965684.db2.gz ROADJXZAFVZRLI-NXEZZACHSA-N 1 1 311.179 3.199 20 5 DGBDMO CC(C)[N@H+]1CC[C@H](N(C)c2ccc3ncccc3c2[N+](=O)[O-])C1 ZINC000829572622 629170681 /nfs/dbraw/zinc/17/06/81/629170681.db2.gz QPRHLMLUAJIXIU-ZDUSSCGKSA-N 1 1 314.389 3.062 20 5 DGBDMO CC(C)C(=O)CC[N@H+]1CCC[C@@H](c2ccc([N+](=O)[O-])cc2)C1 ZINC000831538755 629388061 /nfs/dbraw/zinc/38/80/61/629388061.db2.gz HTLGYFPWIXGMRP-OAHLLOKOSA-N 1 1 304.390 3.389 20 5 DGBDMO CC1(C)C[C@H]([NH2+][C@@H]2CCn3ccnc32)c2cc([N+](=O)[O-])ccc21 ZINC000834831143 629786557 /nfs/dbraw/zinc/78/65/57/629786557.db2.gz IHEAPSNZWIZEQK-CABCVRRESA-N 1 1 312.373 3.248 20 5 DGBDMO c1ccc2c(c1)cc1ccccc1c2CNC[C@@H]1C[NH2+]CCCO1 ZINC000841085613 630406070 /nfs/dbraw/zinc/40/60/70/630406070.db2.gz IPVGTPNGAWKDPL-SFHVURJKSA-N 1 1 320.436 3.461 20 5 DGBDMO Cc1cccc(C(=O)OC[C@H]2CCC[N@H+](C(C)C)C2)c1[N+](=O)[O-] ZINC000842835420 630582848 /nfs/dbraw/zinc/58/28/48/630582848.db2.gz GZHZQINEJAMUKC-AWEZNQCLSA-N 1 1 320.389 3.180 20 5 DGBDMO O=[N+]([O-])c1ccc(CN2CCC([C@@H]3CC[NH2+]C3)CC2)cc1Cl ZINC000843126592 630616248 /nfs/dbraw/zinc/61/62/48/630616248.db2.gz LAINRBZDJUCDIR-CQSZACIVSA-N 1 1 323.824 3.070 20 5 DGBDMO CC[NH2+]Cc1noc(-c2ccc(C(C)(C)C)c([N+](=O)[O-])c2)n1 ZINC000843141876 630619861 /nfs/dbraw/zinc/61/98/61/630619861.db2.gz VOJSWQYCRZYRSR-UHFFFAOYSA-N 1 1 304.350 3.052 20 5 DGBDMO O=[N+]([O-])c1ccccc1OCC[N@H+]1CCC[C@]2(CC2(F)F)C1 ZINC000844440161 630730325 /nfs/dbraw/zinc/73/03/25/630730325.db2.gz QSMYDDUSOLUYRB-AWEZNQCLSA-N 1 1 312.316 3.095 20 5 DGBDMO O=[N+]([O-])c1cccc(C[N@@H+](Cc2ccc3nonc3c2)C2CC2)c1 ZINC000846818233 631316910 /nfs/dbraw/zinc/31/69/10/631316910.db2.gz LAGCFMTWYMAWSJ-UHFFFAOYSA-N 1 1 324.340 3.296 20 5 DGBDMO CC1=C[C@@H](C)C[N@@H+](Cn2cc(-c3ccccc3[N+](=O)[O-])cn2)C1 ZINC000848487225 631669135 /nfs/dbraw/zinc/66/91/35/631669135.db2.gz POJALUCNUXVWBO-CYBMUJFWSA-N 1 1 312.373 3.314 20 5 DGBDMO O=[N+]([O-])c1ccc([C@H](O)C[N@H+]2CC[C@H]2c2ccc(F)cc2)cc1 ZINC000849328098 631892710 /nfs/dbraw/zinc/89/27/10/631892710.db2.gz ZRFHJOCVCVDRAN-DLBZAZTESA-N 1 1 316.332 3.214 20 5 DGBDMO CC(C)(C)[N@@H+]1CC[C@@H]1CNCc1cc(Cl)ccc1[N+](=O)[O-] ZINC000850342616 632119350 /nfs/dbraw/zinc/11/93/50/632119350.db2.gz IETNIHHLYCLCBR-CYBMUJFWSA-N 1 1 311.813 3.211 20 5 DGBDMO CC(C)(C)[N@H+]1CC[C@@H]1CNCc1cc(Cl)ccc1[N+](=O)[O-] ZINC000850342616 632119354 /nfs/dbraw/zinc/11/93/54/632119354.db2.gz IETNIHHLYCLCBR-CYBMUJFWSA-N 1 1 311.813 3.211 20 5 DGBDMO CC1(C)OC[C@@H](CC[N@@H+](Cc2ccc([N+](=O)[O-])cc2)C2CC2)O1 ZINC000851883969 632513960 /nfs/dbraw/zinc/51/39/60/632513960.db2.gz ZREPUUDGPOCWDM-MRXNPFEDSA-N 1 1 320.389 3.101 20 5 DGBDMO CC[C@@H](C)[N@@H+](CC)CC(=O)Nc1cc(Cl)ccc1[N+](=O)[O-] ZINC000852294175 632582035 /nfs/dbraw/zinc/58/20/35/632582035.db2.gz WPFAWZFHWBUZBB-SNVBAGLBSA-N 1 1 313.785 3.307 20 5 DGBDMO O=[N+]([O-])c1cccc(C[N@@H+]2CC[C@H](CF)C2)c1Br ZINC000711475150 660954478 /nfs/dbraw/zinc/95/44/78/660954478.db2.gz ILOAHFOCHKRXQM-SECBINFHSA-N 1 1 317.158 3.149 20 5 DGBDMO O=[N+]([O-])c1cccc(C[N@H+]2CC[C@H](CF)C2)c1Br ZINC000711475150 660954479 /nfs/dbraw/zinc/95/44/79/660954479.db2.gz ILOAHFOCHKRXQM-SECBINFHSA-N 1 1 317.158 3.149 20 5 DGBDMO O=[N+]([O-])c1cccc([C@H](O)C[N@H+]2CCC=C(c3ccccc3)C2)c1 ZINC000792941202 660995597 /nfs/dbraw/zinc/99/55/97/660995597.db2.gz SVBIZUJFQXZFGY-LJQANCHMSA-N 1 1 324.380 3.418 20 5 DGBDMO O=[N+]([O-])c1ccc(C[N@@H+](CC2CC2)C2CCC2)c([N+](=O)[O-])c1 ZINC000793396950 661029939 /nfs/dbraw/zinc/02/99/39/661029939.db2.gz SRYZDPDGTCSFMW-UHFFFAOYSA-N 1 1 305.334 3.268 20 5 DGBDMO CCC(=O)c1ccc(N2C[C@@H](C)[N@H+](CC)C[C@@H]2C)c([N+](=O)[O-])c1 ZINC000795120453 661127795 /nfs/dbraw/zinc/12/77/95/661127795.db2.gz QPGQRSRJDGYNQF-OLZOCXBDSA-N 1 1 319.405 3.106 20 5 DGBDMO CCC(=O)c1ccc(N2C[C@@H](C)[N@@H+](CC)C[C@@H]2C)c([N+](=O)[O-])c1 ZINC000795120453 661127796 /nfs/dbraw/zinc/12/77/96/661127796.db2.gz QPGQRSRJDGYNQF-OLZOCXBDSA-N 1 1 319.405 3.106 20 5 DGBDMO O=[N+]([O-])c1cnn(C[N@H+]2C[C@H](c3ccccc3)[C@H]3CCC[C@H]32)c1 ZINC000795686693 661167814 /nfs/dbraw/zinc/16/78/14/661167814.db2.gz HXXFMOFEQSQCAF-BRWVUGGUSA-N 1 1 312.373 3.017 20 5 DGBDMO O=[N+]([O-])c1ccccc1C[N@H+]1CCCC[C@@H]([C@@H]2CCOC2)C1 ZINC000934834321 655807834 /nfs/dbraw/zinc/80/78/34/655807834.db2.gz QAJFYGIIKTUQFX-GDBMZVCRSA-N 1 1 304.390 3.233 20 5 DGBDMO C[N@H+]1CCC[C@@H]2CN(Cc3cc([N+](=O)[O-])ccc3Cl)CC[C@@H]21 ZINC000178003109 655989529 /nfs/dbraw/zinc/98/95/29/655989529.db2.gz NLGFTDGLEWHMDR-WBMJQRKESA-N 1 1 323.824 3.164 20 5 DGBDMO Cc1cc(N[C@@H](C)[C@@H]2CCC[NH2+]C2)c2cc([N+](=O)[O-])ccc2n1 ZINC000261845790 657133079 /nfs/dbraw/zinc/13/30/79/657133079.db2.gz JAIRYLZFCABPNM-QWHCGFSZSA-N 1 1 314.389 3.251 20 5 DGBDMO O=[N+]([O-])c1ccnn1C[N@@H+]1CCC[C@H]1Cc1ccccc1Cl ZINC000057103534 659004322 /nfs/dbraw/zinc/00/43/22/659004322.db2.gz RHMHZCVDVGHCQZ-ZDUSSCGKSA-N 1 1 320.780 3.109 20 5 DGBDMO O=[N+]([O-])c1ccnn1C[N@H+]1CCC[C@H]1Cc1ccccc1Cl ZINC000057103534 659004328 /nfs/dbraw/zinc/00/43/28/659004328.db2.gz RHMHZCVDVGHCQZ-ZDUSSCGKSA-N 1 1 320.780 3.109 20 5 DGBDMO Cc1nn(C[N@H+](C)CCc2ccc(Cl)cc2)c(C)c1[N+](=O)[O-] ZINC000172068019 659314579 /nfs/dbraw/zinc/31/45/79/659314579.db2.gz MZWZJRAYDCOLJC-UHFFFAOYSA-N 1 1 322.796 3.194 20 5 DGBDMO Cc1nn(C[N@@H+](C)CCc2ccc(Cl)cc2)c(C)c1[N+](=O)[O-] ZINC000172068019 659314582 /nfs/dbraw/zinc/31/45/82/659314582.db2.gz MZWZJRAYDCOLJC-UHFFFAOYSA-N 1 1 322.796 3.194 20 5 DGBDMO CC[C@H](CSC)[N@@H+](C)Cn1nc(C)c2ccc([N+](=O)[O-])cc21 ZINC000179785884 659941795 /nfs/dbraw/zinc/94/17/95/659941795.db2.gz HSOHBOCROAULJS-GFCCVEGCSA-N 1 1 322.434 3.284 20 5 DGBDMO C[N@@H+](CCSc1ccncc1)CCc1ccccc1[N+](=O)[O-] ZINC000930438433 661398341 /nfs/dbraw/zinc/39/83/41/661398341.db2.gz AIMMVKISNQQBRG-UHFFFAOYSA-N 1 1 317.414 3.256 20 5 DGBDMO O=[N+]([O-])c1c(Cl)cc(Cl)cc1CN1CCn2cc[nH+]c21 ZINC000931521148 661484414 /nfs/dbraw/zinc/48/44/14/661484414.db2.gz ZFBGRPLXCZHCGH-UHFFFAOYSA-N 1 1 313.144 3.118 20 5 DGBDMO CC(C)(C)[C@H]1CSCC[N@H+]1C[C@H](O)c1cccc([N+](=O)[O-])c1 ZINC000931597886 661491680 /nfs/dbraw/zinc/49/16/80/661491680.db2.gz XUVICOVCGCLBRJ-LSDHHAIUSA-N 1 1 324.446 3.092 20 5 DGBDMO COC(=O)c1oc(C[NH2+][C@H](C)c2ccc([N+](=O)[O-])cc2)cc1C ZINC000932181183 661545275 /nfs/dbraw/zinc/54/52/75/661545275.db2.gz IKBNCPNTGZMJIY-LLVKDONJSA-N 1 1 318.329 3.134 20 5 DGBDMO Cc1ccc([N+](=O)[O-])cc1[C@H](C)[N@H+](C)Cc1cccc(=O)[nH]1 ZINC000933399416 661632454 /nfs/dbraw/zinc/63/24/54/661632454.db2.gz UGLHRNXMLVLQPM-LBPRGKRZSA-N 1 1 301.346 3.197 20 5 DGBDMO Cc1ccc([N+](=O)[O-])cc1[C@H](C)[N@@H+](C)Cc1cccc(=O)[nH]1 ZINC000933399416 661632455 /nfs/dbraw/zinc/63/24/55/661632455.db2.gz UGLHRNXMLVLQPM-LBPRGKRZSA-N 1 1 301.346 3.197 20 5 DGBDMO O=[N+]([O-])c1cc(F)ccc1C[N@H+]1CC[C@@H](Cc2nccs2)C1 ZINC000934333572 661698169 /nfs/dbraw/zinc/69/81/69/661698169.db2.gz WZTWJHDFFBEPLS-NSHDSACASA-N 1 1 321.377 3.255 20 5 DGBDMO C[C@@H]([NH2+]Cc1ccccc1[N+](=O)[O-])c1cnn(CC2CCC2)c1 ZINC000934552200 661714271 /nfs/dbraw/zinc/71/42/71/661714271.db2.gz LQJYJAGLPPGXTA-CYBMUJFWSA-N 1 1 314.389 3.442 20 5 DGBDMO Cc1ccc(C[N@H+](C)Cn2ncc3cc([N+](=O)[O-])ccc32)s1 ZINC000076265908 661976307 /nfs/dbraw/zinc/97/63/07/661976307.db2.gz OJKWXMZYDUIGTM-UHFFFAOYSA-N 1 1 316.386 3.404 20 5 DGBDMO Cc1ccc(C[N@@H+](C)Cn2ncc3cc([N+](=O)[O-])ccc32)s1 ZINC000076265908 661976309 /nfs/dbraw/zinc/97/63/09/661976309.db2.gz OJKWXMZYDUIGTM-UHFFFAOYSA-N 1 1 316.386 3.404 20 5 DGBDMO C[N@@H+](Cn1ncc2ccc([N+](=O)[O-])cc21)C(C1CC1)C1CC1 ZINC000195527149 662191294 /nfs/dbraw/zinc/19/12/94/662191294.db2.gz ACROCRYCPDVFQE-UHFFFAOYSA-N 1 1 300.362 3.022 20 5 DGBDMO Cc1ccc(C[N@H+](C[C@H](C)O)C2CCCCC2)cc1[N+](=O)[O-] ZINC000092974330 662342594 /nfs/dbraw/zinc/34/25/94/662342594.db2.gz PFTYTVHQXKNOGB-AWEZNQCLSA-N 1 1 306.406 3.419 20 5 DGBDMO Cc1ccc(C[N@H+](C[C@@H](C)O)C2CCCCC2)cc1[N+](=O)[O-] ZINC000092974329 662342620 /nfs/dbraw/zinc/34/26/20/662342620.db2.gz PFTYTVHQXKNOGB-CQSZACIVSA-N 1 1 306.406 3.419 20 5 DGBDMO Cc1ccc([N+](=O)[O-])c(C)c1CN[C@H]1CC[NH2+]CC(C)(C)C1 ZINC001579734769 1191989341 /nfs/dbraw/zinc/98/93/41/1191989341.db2.gz KWIGRKDQECSEJY-AWEZNQCLSA-N 1 1 305.422 3.079 20 5 DGBDMO Cc1ccc([N+](=O)[O-])c(C)c1CN[C@@H]1CC[NH2+]CC(C)(C)C1 ZINC001579734770 1191989401 /nfs/dbraw/zinc/98/94/01/1191989401.db2.gz KWIGRKDQECSEJY-CQSZACIVSA-N 1 1 305.422 3.079 20 5 DGBDMO C[C@H](CO)[N@@H+](CCc1ccc([N+](=O)[O-])cc1)Cc1ccccc1 ZINC001331025423 1178114903 /nfs/dbraw/zinc/11/49/03/1178114903.db2.gz HCSVDHIWIHSFSI-OAHLLOKOSA-N 1 1 314.385 3.020 20 5 DGBDMO CC(C)[N@H+]1CC[C@@H](CNc2ncc([N+](=O)[O-])c3ccccc32)C1 ZINC001331100013 1178134940 /nfs/dbraw/zinc/13/49/40/1178134940.db2.gz NQKOYXAXZIHSDB-ZDUSSCGKSA-N 1 1 314.389 3.285 20 5 DGBDMO O=[N+]([O-])c1ccc2c(c1)C[N@@H+](C[C@@H]1CCC3(CCC3)O1)CC2 ZINC001331760667 1178279972 /nfs/dbraw/zinc/27/99/72/1178279972.db2.gz YCRPCWWJVXKRLD-INIZCTEOSA-N 1 1 302.374 3.055 20 5 DGBDMO O=[N+]([O-])c1ccc2c(c1)C[N@H+](C[C@@H]1CCC3(CCC3)O1)CC2 ZINC001331760667 1178279979 /nfs/dbraw/zinc/27/99/79/1178279979.db2.gz YCRPCWWJVXKRLD-INIZCTEOSA-N 1 1 302.374 3.055 20 5 DGBDMO C[C@H](CNc1ncc([N+](=O)[O-])c2ccccc21)[N@@H+](C)C1CC1 ZINC001332207244 1178393814 /nfs/dbraw/zinc/39/38/14/1178393814.db2.gz LNWZTPWERBBNHS-LLVKDONJSA-N 1 1 300.362 3.038 20 5 DGBDMO Cn1c[nH+]cc1CCNc1cccc(C(F)(F)F)c1[N+](=O)[O-] ZINC001332265674 1178407868 /nfs/dbraw/zinc/40/78/68/1178407868.db2.gz CWLJJHVIQAEPSA-UHFFFAOYSA-N 1 1 314.267 3.002 20 5 DGBDMO Cc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@H+]1CC(C)(C)C1(C)C ZINC001334728415 1178787475 /nfs/dbraw/zinc/78/74/75/1178787475.db2.gz KSUWCWGGWKCVAX-UHFFFAOYSA-N 1 1 319.405 3.352 20 5 DGBDMO C[N@H+]1CCN(c2ccc([N+](=O)[O-])c(C(F)(F)F)c2)CC1(C)C ZINC001642878270 1194950439 /nfs/dbraw/zinc/95/04/39/1194950439.db2.gz XXWQYPACPKBMGA-UHFFFAOYSA-N 1 1 317.311 3.144 20 5 DGBDMO C[C@@H]1CN(c2ccc(F)cc2[N+](=O)[O-])CC[N@H+]1C1CCCC1 ZINC001458604132 1182543040 /nfs/dbraw/zinc/54/30/40/1182543040.db2.gz PEXBUYKGDLWQIW-GFCCVEGCSA-N 1 1 307.369 3.187 20 5 DGBDMO CCc1[nH+]ccn1CCNc1nc2ccc([N+](=O)[O-])cc2s1 ZINC001458608340 1182543174 /nfs/dbraw/zinc/54/31/74/1182543174.db2.gz NWGYGSAHPVLJBY-UHFFFAOYSA-N 1 1 317.374 3.076 20 5 DGBDMO Cc1cc(C)c(C[N@@H+]2CCc3ccc([N+](=O)[O-])cc3C2)c(C)n1 ZINC001459655382 1182602021 /nfs/dbraw/zinc/60/20/21/1182602021.db2.gz OSLQCIKIXMHBJL-UHFFFAOYSA-N 1 1 311.385 3.473 20 5 DGBDMO Cc1cc(C)c(C[N@H+]2CCc3ccc([N+](=O)[O-])cc3C2)c(C)n1 ZINC001459655382 1182602025 /nfs/dbraw/zinc/60/20/25/1182602025.db2.gz OSLQCIKIXMHBJL-UHFFFAOYSA-N 1 1 311.385 3.473 20 5 DGBDMO O=[N+]([O-])c1ccc2c(c1)C[N@@H+](CCOCC1CCCC1)CC2 ZINC001459661348 1182602801 /nfs/dbraw/zinc/60/28/01/1182602801.db2.gz ZHHYITNVYCYXSP-UHFFFAOYSA-N 1 1 304.390 3.160 20 5 DGBDMO O=[N+]([O-])c1ccc2c(c1)C[N@H+](CCOCC1CCCC1)CC2 ZINC001459661348 1182602807 /nfs/dbraw/zinc/60/28/07/1182602807.db2.gz ZHHYITNVYCYXSP-UHFFFAOYSA-N 1 1 304.390 3.160 20 5 DGBDMO CC(C)(CC[N@H+]1CC[C@H](Nc2ccc([N+](=O)[O-])cn2)C1)C1CC1 ZINC001459702775 1182607469 /nfs/dbraw/zinc/60/74/69/1182607469.db2.gz ZISOZSGWAMPJTC-AWEZNQCLSA-N 1 1 318.421 3.302 20 5 DGBDMO C[N@@H+](CCc1cccc([N+](=O)[O-])c1)C[C@H]1CC[C@H](C2CC2)O1 ZINC001460004928 1182640110 /nfs/dbraw/zinc/64/01/10/1182640110.db2.gz KXNYSTNBBMUXNE-IAGOWNOFSA-N 1 1 304.390 3.027 20 5 DGBDMO COc1ccc(OCC[N@H+]2CC(C)(C)C[C@H]2C)c([N+](=O)[O-])c1 ZINC001460252606 1182667718 /nfs/dbraw/zinc/66/77/18/1182667718.db2.gz SWUZISNYYPFTNY-GFCCVEGCSA-N 1 1 308.378 3.103 20 5 DGBDMO COc1ccc(C[N@H+]2C[C@H]3C[C@@]3(c3ccccc3)C2)cc1[N+](=O)[O-] ZINC001460766411 1182719221 /nfs/dbraw/zinc/71/92/21/1182719221.db2.gz ZMTPAXZHJFBIIH-APWZRJJASA-N 1 1 324.380 3.377 20 5 DGBDMO O=[N+]([O-])c1ccccc1-c1ccc(CNCC[NH+]2CCCC2)o1 ZINC001461003701 1182754238 /nfs/dbraw/zinc/75/42/38/1182754238.db2.gz ORVYYZUFCZGEHZ-UHFFFAOYSA-N 1 1 315.373 3.040 20 5 DGBDMO CCOc1cc(C[N@H+]2CCSCC[C@@H]2C)ccc1[N+](=O)[O-] ZINC001473445551 1183758447 /nfs/dbraw/zinc/75/84/47/1183758447.db2.gz PDDCHYNQDKWZEA-LBPRGKRZSA-N 1 1 310.419 3.321 20 5 DGBDMO CCCC[C@H](C)[N@@H+](C)CCC(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC001473523087 1183769633 /nfs/dbraw/zinc/76/96/33/1183769633.db2.gz FYEGFVAEOMRKEC-ZDUSSCGKSA-N 1 1 307.394 3.434 20 5 DGBDMO O=[N+]([O-])c1cccc(OCC[N@H+]2CCCC[C@@H]2[C@H]2CCCO2)c1 ZINC001473884441 1183819126 /nfs/dbraw/zinc/81/91/26/1183819126.db2.gz IUQBFGJLVIRFDU-IAGOWNOFSA-N 1 1 320.389 3.007 20 5 DGBDMO CN(C)C(C)(C)C[NH2+]Cc1ccc(-c2cccc([N+](=O)[O-])c2)o1 ZINC001473911537 1183825632 /nfs/dbraw/zinc/82/56/32/1183825632.db2.gz HNIMNBKOHLRXNJ-UHFFFAOYSA-N 1 1 317.389 3.285 20 5 DGBDMO Cc1ccc([N+](=O)[O-])c(C)c1CNC[C@@H]1CC[N@@H+]1C1CCCC1 ZINC001474231181 1183887160 /nfs/dbraw/zinc/88/71/60/1183887160.db2.gz UZCOZMURPNYUQT-INIZCTEOSA-N 1 1 317.433 3.318 20 5 DGBDMO Cc1ccc([N+](=O)[O-])c(C)c1CNC[C@@H]1CC[N@H+]1C1CCCC1 ZINC001474231181 1183887163 /nfs/dbraw/zinc/88/71/63/1183887163.db2.gz UZCOZMURPNYUQT-INIZCTEOSA-N 1 1 317.433 3.318 20 5 DGBDMO CC[C@@H](OC(=O)[C@H]1CC[N@@H+](C)[C@@H](C)C1)c1cccc([N+](=O)[O-])c1 ZINC001521119216 1186998404 /nfs/dbraw/zinc/99/84/04/1186998404.db2.gz ZOLCXODVLDCQCR-DUVNUKRYSA-N 1 1 320.389 3.319 20 5 DGBDMO C[C@H]1[C@@H](Nc2ccc(C(F)(F)F)cc2[N+](=O)[O-])CC[N@H+]1C ZINC001559283674 1189191671 /nfs/dbraw/zinc/19/16/71/1189191671.db2.gz SLYPGLWRFLMQSP-WPRPVWTQSA-N 1 1 303.284 3.118 20 5 DGBDMO C[N@H+]1CCN(Cc2ccc(F)cc2[N+](=O)[O-])C2(CCCCC2)C1 ZINC001559572644 1189219645 /nfs/dbraw/zinc/21/96/45/1189219645.db2.gz GBARTESHSXYRGJ-UHFFFAOYSA-N 1 1 321.396 3.184 20 5 DGBDMO C[C@H](c1ccccc1)[N@H+](CCO)Cc1ccc(F)cc1[N+](=O)[O-] ZINC001559663653 1189228473 /nfs/dbraw/zinc/22/84/73/1189228473.db2.gz KADVZIFXJIDASS-CYBMUJFWSA-N 1 1 318.348 3.289 20 5 DGBDMO C[C@H](c1ccccc1)[N@@H+](CCO)Cc1ccc(F)cc1[N+](=O)[O-] ZINC001559663653 1189228476 /nfs/dbraw/zinc/22/84/76/1189228476.db2.gz KADVZIFXJIDASS-CYBMUJFWSA-N 1 1 318.348 3.289 20 5 DGBDMO C[N@@H+](CCc1cccc([N+](=O)[O-])c1)C[C@@H]1CCC2(CCC2)CO1 ZINC001559782703 1189241385 /nfs/dbraw/zinc/24/13/85/1189241385.db2.gz WTLCAJPQAZCOFQ-KRWDZBQOSA-N 1 1 318.417 3.418 20 5 DGBDMO O=[N+]([O-])c1ccc(OCCC[N@@H+]2C[C@@H]3CCCC[C@@H]3C2)cc1 ZINC001559844840 1189249191 /nfs/dbraw/zinc/24/91/91/1189249191.db2.gz ZACAJFCWQVQFCC-GASCZTMLSA-N 1 1 304.390 3.486 20 5 DGBDMO Cc1ncc([N+](=O)[O-])n1CC[N@H+](C)C[C@@H](C)C1CCCCC1 ZINC001560059276 1189273605 /nfs/dbraw/zinc/27/36/05/1189273605.db2.gz XWJXOAISZGFQPZ-CYBMUJFWSA-N 1 1 308.426 3.248 20 5 DGBDMO CC[C@]1(O)CCC[N@@H+](Cc2cc([N+](=O)[O-])ccc2OC(C)C)C1 ZINC001560060688 1189274167 /nfs/dbraw/zinc/27/41/67/1189274167.db2.gz TXYOBHDSPGAXRA-KRWDZBQOSA-N 1 1 322.405 3.119 20 5 DGBDMO Cc1cccc(C)c1C[N@@H+](C)C[C@@H](O)c1ccc([N+](=O)[O-])cc1 ZINC001560181797 1189288021 /nfs/dbraw/zinc/28/80/21/1189288021.db2.gz VKZJJCPVAJTODH-GOSISDBHSA-N 1 1 314.385 3.377 20 5 DGBDMO CCC[C@@H]1CCC[N@H+]1CCC(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC001560201257 1189289639 /nfs/dbraw/zinc/28/96/39/1189289639.db2.gz HAQJLNWRVGEUFN-CQSZACIVSA-N 1 1 305.378 3.188 20 5 DGBDMO COc1ccc([N+](=O)[O-])cc1C[N@H+]1CCCC[C@@]12CCCOC2 ZINC001560238335 1189297588 /nfs/dbraw/zinc/29/75/88/1189297588.db2.gz LWUCADDNLSFOTB-KRWDZBQOSA-N 1 1 320.389 3.139 20 5 DGBDMO Cc1c(CNC[C@H](C)[N@@H+]2CCC[C@@H](C)C2)cccc1[N+](=O)[O-] ZINC001560265847 1189302330 /nfs/dbraw/zinc/30/23/30/1189302330.db2.gz HGLDHIOUURDTNX-KGLIPLIRSA-N 1 1 305.422 3.113 20 5 DGBDMO Cc1c(CNC[C@H](C)[N@H+]2CCC[C@@H](C)C2)cccc1[N+](=O)[O-] ZINC001560265847 1189302333 /nfs/dbraw/zinc/30/23/33/1189302333.db2.gz HGLDHIOUURDTNX-KGLIPLIRSA-N 1 1 305.422 3.113 20 5 DGBDMO COc1c(O)ccc(C[N@H+]2CCC[C@@H]2C(C)(C)C)c1[N+](=O)[O-] ZINC001560667564 1189357895 /nfs/dbraw/zinc/35/78/95/1189357895.db2.gz LWLWWZPAISCJDO-CYBMUJFWSA-N 1 1 308.378 3.320 20 5 DGBDMO COc1c(O)ccc(C[N@H+]2C[C@H](C)CC(C)(C)C2)c1[N+](=O)[O-] ZINC001560706635 1189362855 /nfs/dbraw/zinc/36/28/55/1189362855.db2.gz OISBUBGGGFGOIX-LLVKDONJSA-N 1 1 308.378 3.177 20 5 DGBDMO C[C@H]([NH2+]CCN1C[C@@H](C)C[C@H](C)C1)c1ccccc1[N+](=O)[O-] ZINC001620554667 1193778861 /nfs/dbraw/zinc/77/88/61/1193778861.db2.gz UQUUTEBHPREXAS-KKUMJFAQSA-N 1 1 305.422 3.223 20 5 DGBDMO C[C@@H]1CN(Cc2c(F)cccc2[N+](=O)[O-])CC[N@H+]1C1CCCC1 ZINC001620583453 1193781392 /nfs/dbraw/zinc/78/13/92/1193781392.db2.gz LPHMMMXCURBIEO-CYBMUJFWSA-N 1 1 321.396 3.183 20 5 DGBDMO CC(C)c1ccc(CN[C@@H]2CC[C@@H]3C[N@@H+](C)C[C@H]23)cc1[N+](=O)[O-] ZINC001621108429 1193803892 /nfs/dbraw/zinc/80/38/92/1193803892.db2.gz OUUBKJKDWAIGTH-HYVNUMGLSA-N 1 1 317.433 3.148 20 5 DGBDMO C[N@@H+](CCc1cccc([N+](=O)[O-])c1)Cc1cccc2c1OCC2 ZINC001621278873 1193826795 /nfs/dbraw/zinc/82/67/95/1193826795.db2.gz FFIQVXZJNYUHFB-UHFFFAOYSA-N 1 1 312.369 3.204 20 5 DGBDMO CC[C@@H]1C[N@@H+](CC)CCN1Cc1ccc([N+](=O)[O-])c(Cl)c1 ZINC001621334597 1193830631 /nfs/dbraw/zinc/83/06/31/1193830631.db2.gz QLCPTEQVYNLQNK-CYBMUJFWSA-N 1 1 311.813 3.164 20 5 DGBDMO CCCC[N@@H+](C)C[C@@H](C)Nc1ccc([N+](=O)[O-])c(OC(C)C)n1 ZINC001639985163 1194789694 /nfs/dbraw/zinc/78/96/94/1194789694.db2.gz GRDWYEUEFHVDBU-CYBMUJFWSA-N 1 1 324.425 3.309 20 5 DGBDMO CC[N@@H+](CCCNc1cccnc1[N+](=O)[O-])C1CCCCC1 ZINC001642898491 1194951938 /nfs/dbraw/zinc/95/19/38/1194951938.db2.gz JANASTAIUUGVQD-UHFFFAOYSA-N 1 1 306.410 3.446 20 5 DGBDMO COCC[N@@H+](Cc1ccc(F)cc1[N+](=O)[O-])[C@H]1CC[C@H](C)C1 ZINC001642938218 1194955309 /nfs/dbraw/zinc/95/53/09/1194955309.db2.gz NUSKTSKFSNHKIC-WFASDCNBSA-N 1 1 310.369 3.371 20 5 DGBDMO Cc1ccc(NCCNc2nccc3c2cccc3[N+](=O)[O-])[nH+]c1 ZINC001643220217 1195006040 /nfs/dbraw/zinc/00/60/40/1195006040.db2.gz RBNOABBWPRTKTN-UHFFFAOYSA-N 1 1 323.356 3.370 20 5 DGBDMO C[C@H]([NH2+]Cc1ccc(F)cc1[N+](=O)[O-])c1ccc([N+](=O)[O-])cc1 ZINC001644456142 1195109600 /nfs/dbraw/zinc/10/96/00/1195109600.db2.gz DTTLQNXGGHTJJD-JTQLQIEISA-N 1 1 319.292 3.493 20 5 DGBDMO O=[N+]([O-])c1ccc(Cl)cc1C[N@@H+]1CC[C@H](c2cnccn2)C1 ZINC001644672537 1195125558 /nfs/dbraw/zinc/12/55/58/1195125558.db2.gz OMKUJRUUYWFNKQ-NSHDSACASA-N 1 1 318.764 3.028 20 5 DGBDMO O=[N+]([O-])c1ccc(Cl)cc1C[N@H+]1CC[C@H](c2cnccn2)C1 ZINC001644672537 1195125561 /nfs/dbraw/zinc/12/55/61/1195125561.db2.gz OMKUJRUUYWFNKQ-NSHDSACASA-N 1 1 318.764 3.028 20 5 DGBDMO COc1ccc(OCC[N@H+]2CC[C@@H]3CCCC[C@@H]32)c([N+](=O)[O-])c1 ZINC001646421104 1195227818 /nfs/dbraw/zinc/22/78/18/1195227818.db2.gz WMFAVIVSRKRSOI-ZFWWWQNUSA-N 1 1 320.389 3.247 20 5 DGBDMO CC(C)[C@H]1CN(Cc2cc([N+](=O)[O-])ccc2Cl)CC[N@H+]1C ZINC001648069868 1195274770 /nfs/dbraw/zinc/27/47/70/1195274770.db2.gz NELAZUFPELLYSM-OAHLLOKOSA-N 1 1 311.813 3.020 20 5 DGBDMO Cc1cc(NCCn2cc[nH+]c2C(C)C)c(F)cc1[N+](=O)[O-] ZINC001651435935 1195461141 /nfs/dbraw/zinc/46/11/41/1195461141.db2.gz BEWQEFDLBHNOBL-UHFFFAOYSA-N 1 1 306.341 3.474 20 5 DGBDMO C[C@@H]1CCC[C@H]([N@@H+](C)CCC(=O)Nc2ccc([N+](=O)[O-])cc2)C1 ZINC001652364612 1195587695 /nfs/dbraw/zinc/58/76/95/1195587695.db2.gz SKHQVWVQGPNAHW-CJNGLKHVSA-N 1 1 319.405 3.434 20 5 DGBDMO Cc1noc(C[NH+]2CCC(OCC3CCCC3)CC2)c1[N+](=O)[O-] ZINC001652655293 1195632615 /nfs/dbraw/zinc/63/26/15/1195632615.db2.gz ABMHBNHWUBMUJS-UHFFFAOYSA-N 1 1 323.393 3.062 20 5 DGBDMO O=[N+]([O-])c1ncccc1C[NH+]1CCC(OCC2CCCC2)CC1 ZINC001652655986 1195633141 /nfs/dbraw/zinc/63/31/41/1195633141.db2.gz WSKDAXPRTKZIBH-UHFFFAOYSA-N 1 1 319.405 3.161 20 5 DGBDMO CCC1(CC)CC[N@@H+](CCOc2ccc(OC)cc2[N+](=O)[O-])C1 ZINC001652689108 1195636780 /nfs/dbraw/zinc/63/67/80/1195636780.db2.gz GJQFLGMOXBCMHO-UHFFFAOYSA-N 1 1 322.405 3.494 20 5 DGBDMO COC[C@H]([NH2+]Cc1ccc([N+](=O)[O-])cc1F)c1ccccc1 ZINC001653136145 1195691056 /nfs/dbraw/zinc/69/10/56/1195691056.db2.gz SRSXNAWQXWIKHB-INIZCTEOSA-N 1 1 304.321 3.211 20 5 DGBDMO CCC1(CC)CC[N@H+]([C@H](C)C(=O)Nc2ccc([N+](=O)[O-])cc2)C1 ZINC001653562048 1195734270 /nfs/dbraw/zinc/73/42/70/1195734270.db2.gz ZLRGBJULNYCIQB-CYBMUJFWSA-N 1 1 319.405 3.434 20 5 DGBDMO CC(C)C[C@@]1(C)CCC[N@H+]1CC(=O)Nc1ccccc1[N+](=O)[O-] ZINC001653672937 1195742724 /nfs/dbraw/zinc/74/27/24/1195742724.db2.gz PWWQNTWQIWAEGI-QGZVFWFLSA-N 1 1 319.405 3.434 20 5 DGBDMO CCC1CCC([N@@H+](CCO)CCc2ccc([N+](=O)[O-])cc2)CC1 ZINC001654359146 1195796549 /nfs/dbraw/zinc/79/65/49/1195796549.db2.gz JGRJGKYCUMBFDN-UHFFFAOYSA-N 1 1 320.433 3.400 20 5 DGBDMO C[N@H+]1CCN(Cc2cccc([N+](=O)[O-])c2)CC12CCCCC2 ZINC001654499005 1195810290 /nfs/dbraw/zinc/81/02/90/1195810290.db2.gz MDURCIAGTHGTED-UHFFFAOYSA-N 1 1 303.406 3.045 20 5 DGBDMO CC(C)[C@@H](O)CC[N@H+]1CCC[C@H](c2ccc([N+](=O)[O-])cc2)C1 ZINC001654498742 1195810538 /nfs/dbraw/zinc/81/05/38/1195810538.db2.gz HXFVNCFJSQZICD-RDJZCZTQSA-N 1 1 306.406 3.181 20 5 DGBDMO O=[N+]([O-])c1cccc(OCC[N@@H+](Cc2ccoc2)C2CC2)c1 ZINC001654909193 1195853195 /nfs/dbraw/zinc/85/31/95/1195853195.db2.gz GDWUFNPQCFHASL-UHFFFAOYSA-N 1 1 302.330 3.231 20 5 DGBDMO COc1ccc(C[N@@H+]2CCc3ccc(C)cc3C2)cc1[N+](=O)[O-] ZINC001654997482 1195862989 /nfs/dbraw/zinc/86/29/89/1195862989.db2.gz XUOGYIGQBNVRAD-UHFFFAOYSA-N 1 1 312.369 3.470 20 5 DGBDMO COc1ccc(C[N@H+]2CCc3ccc(C)cc3C2)cc1[N+](=O)[O-] ZINC001654997482 1195862992 /nfs/dbraw/zinc/86/29/92/1195862992.db2.gz XUOGYIGQBNVRAD-UHFFFAOYSA-N 1 1 312.369 3.470 20 5 DGBDMO C[N@H+]1CCN(c2ccc(Cl)cc2[N+](=O)[O-])C[C@H]1C(C)(C)C ZINC001655801536 1195964349 /nfs/dbraw/zinc/96/43/49/1195964349.db2.gz IPLCCGUIPCUKEG-AWEZNQCLSA-N 1 1 311.813 3.415 20 5 DGBDMO O=[N+]([O-])c1ccc(OCCC[N@H+]2CCCC[C@@]23CCOC3)cc1 ZINC001655904871 1195975855 /nfs/dbraw/zinc/97/58/55/1195975855.db2.gz DPYREHCUOMYFSZ-KRWDZBQOSA-N 1 1 320.389 3.009 20 5 DGBDMO COc1c(O)ccc(C[N@H+]2C[C@H](C)[C@@H]3CCCC[C@@H]32)c1[N+](=O)[O-] ZINC001657525655 1196151556 /nfs/dbraw/zinc/15/15/56/1196151556.db2.gz DDEYXRQNEIWMRD-UBHSHLNASA-N 1 1 320.389 3.320 20 5 DGBDMO Cc1ccc([N+](=O)[O-])c(C)c1CN1CC[N@H+](C2CC2)C[C@H](C)C1 ZINC001658217359 1196225609 /nfs/dbraw/zinc/22/56/09/1196225609.db2.gz DTUCULIKMHWZEM-CYBMUJFWSA-N 1 1 317.433 3.128 20 5 DGBDMO Cc1ccc([N+](=O)[O-])c(C)c1C[N@H+]1CCN(C2CC2)C[C@H](C)C1 ZINC001658217359 1196225618 /nfs/dbraw/zinc/22/56/18/1196225618.db2.gz DTUCULIKMHWZEM-CYBMUJFWSA-N 1 1 317.433 3.128 20 5 DGBDMO Cc1ccc([N+](=O)[O-])c(C)c1C[N@@H+]1CCN(C2CC2)C[C@H](C)C1 ZINC001658217359 1196225622 /nfs/dbraw/zinc/22/56/22/1196225622.db2.gz DTUCULIKMHWZEM-CYBMUJFWSA-N 1 1 317.433 3.128 20 5 DGBDMO CC[C@@H]1CC[N@@H+](CCC(=O)Nc2ccc([N+](=O)[O-])cc2)[C@@H]1C ZINC001658340939 1196244759 /nfs/dbraw/zinc/24/47/59/1196244759.db2.gz HDHLECLTQZFDDQ-CHWSQXEVSA-N 1 1 305.378 3.044 20 5 DGBDMO Cc1ccc(C[NH2+]Cc2noc3ccc(F)cc23)cc1[N+](=O)[O-] ZINC001658456226 1196258790 /nfs/dbraw/zinc/25/87/90/1196258790.db2.gz ZPHUZOPBRRNDFP-UHFFFAOYSA-N 1 1 315.304 3.473 20 5 DGBDMO CCOC(=O)C[C@@H]1CCC[N@H+]1Cc1c(C)ccc([N+](=O)[O-])c1C ZINC001658967646 1196325552 /nfs/dbraw/zinc/32/55/52/1196325552.db2.gz LTKVILUONZRJAE-AWEZNQCLSA-N 1 1 320.389 3.129 20 5 DGBDMO Cc1ccc([N+](=O)[O-])c(C)c1C[N@@H+]1C[C@@H](C2CC2)O[C@@H](C)C1 ZINC001659061931 1196339965 /nfs/dbraw/zinc/33/99/65/1196339965.db2.gz OMRJDWWXSGGMJM-SJCJKPOMSA-N 1 1 304.390 3.211 20 5 DGBDMO Cc1ccc([N+](=O)[O-])c(C)c1C[N@H+]1C[C@@H](C2CC2)O[C@@H](C)C1 ZINC001659061931 1196339970 /nfs/dbraw/zinc/33/99/70/1196339970.db2.gz OMRJDWWXSGGMJM-SJCJKPOMSA-N 1 1 304.390 3.211 20 5 DGBDMO COc1ccc(OCC[N@H+]2CC[C@@H](C)C[C@H]2C)c([N+](=O)[O-])c1 ZINC001659093302 1196343267 /nfs/dbraw/zinc/34/32/67/1196343267.db2.gz UPCWUSFBWXONFM-CHWSQXEVSA-N 1 1 308.378 3.103 20 5 DGBDMO COc1c(O)ccc(C[N@H+]2C[C@@H](C)CCC[C@@H]2C)c1[N+](=O)[O-] ZINC001659104072 1196345556 /nfs/dbraw/zinc/34/55/56/1196345556.db2.gz KUXHZMKXZZOJFF-RYUDHWBXSA-N 1 1 308.378 3.320 20 5 DGBDMO Cc1ccc([N+](=O)[O-])c(C)c1C[N@H+]1CC[C@H](C(C)(C)C)[C@@H](O)C1 ZINC001659266278 1196365262 /nfs/dbraw/zinc/36/52/62/1196365262.db2.gz VGIYIEYUEBTTOH-RDJZCZTQSA-N 1 1 320.433 3.441 20 5 DGBDMO Cc1ncc([N+](=O)[O-])n1CC[N@H+]1CCC[C@@H](C2CCCCC2)C1 ZINC001659563643 1196395829 /nfs/dbraw/zinc/39/58/29/1196395829.db2.gz XRJXTJXYZYKBAS-MRXNPFEDSA-N 1 1 320.437 3.392 20 5 DGBDMO Cc1c(CNC[C@@H]2CCC[N@H+](CC(C)C)C2)cccc1[N+](=O)[O-] ZINC001661991709 1196673170 /nfs/dbraw/zinc/67/31/70/1196673170.db2.gz OLCHDKYCKYOEDV-INIZCTEOSA-N 1 1 319.449 3.361 20 5 DGBDMO c1nc(CC[NH2+]Cc2c3ccccc3cc3ccccc32)n[nH]1 ZINC000119016462 1199999955 /nfs/dbraw/zinc/99/99/55/1199999955.db2.gz YSQIFJOHVARJSO-UHFFFAOYSA-N 1 1 302.381 3.443 20 5 DGBDMO CO[C@@H]1C[C@H]([N@@H+](C)Cc2cccc([N+](=O)[O-])c2C)C12CCC2 ZINC001170324869 1082346624 /nfs/dbraw/zinc/34/66/24/1082346624.db2.gz TUUFHSGCWWCHRB-JKSUJKDBSA-N 1 1 304.390 3.293 20 5 DGBDMO COc1ccc(C[C@H](C)[N@@H+]2CC[C@@H](C)[C@H](F)C2)c([N+](=O)[O-])c1 ZINC001170328353 1082347954 /nfs/dbraw/zinc/34/79/54/1082347954.db2.gz JYPCWSCOCJPKBY-TYNCELHUSA-N 1 1 310.369 3.214 20 5 DGBDMO COc1ccc(C[C@H](C)[N@H+]2CC[C@@H](C)[C@H](F)C2)c([N+](=O)[O-])c1 ZINC001170328353 1082347958 /nfs/dbraw/zinc/34/79/58/1082347958.db2.gz JYPCWSCOCJPKBY-TYNCELHUSA-N 1 1 310.369 3.214 20 5 DGBDMO CC1(C)CCC[C@H](C[N@H+]2CCc3ccc([N+](=O)[O-])cc3C2)O1 ZINC001167647290 1082640991 /nfs/dbraw/zinc/64/09/91/1082640991.db2.gz LPANXFOTDLZOHG-MRXNPFEDSA-N 1 1 304.390 3.301 20 5 DGBDMO O=[N+]([O-])c1cc(Cl)nc(N[C@H]2CC[N@@H+](CC3CCCC3)C2)c1 ZINC001161181097 1089144467 /nfs/dbraw/zinc/14/44/67/1089144467.db2.gz LRJYWXIFBGVLCO-LBPRGKRZSA-N 1 1 324.812 3.320 20 5 DGBDMO C[N@H+]1CCC[C@](C)(Nc2nc(Cl)cc(Cl)c2[N+](=O)[O-])C1 ZINC001162341144 1089682821 /nfs/dbraw/zinc/68/28/21/1089682821.db2.gz IZNCNFVTZLIBNN-LBPRGKRZSA-N 1 1 319.192 3.193 20 5 DGBDMO C[N@H+]1CCC[C@@](C)(Nc2ccc3cccc([N+](=O)[O-])c3n2)C1 ZINC001162341328 1089683693 /nfs/dbraw/zinc/68/36/93/1089683693.db2.gz KPFFTUOUUJSGJF-MRXNPFEDSA-N 1 1 300.362 3.039 20 5 DGBDMO Cc1[nH+]c(N)ccc1CNc1nc2ccccc2cc1[N+](=O)[O-] ZINC001156980659 1089772836 /nfs/dbraw/zinc/77/28/36/1089772836.db2.gz LVXUHWKWROLJHV-UHFFFAOYSA-N 1 1 309.329 3.041 20 5 DGBDMO CC(C)[N@@H+](C)[C@@H]1CCN(c2nc3ccccc3cc2[N+](=O)[O-])C1 ZINC001157019168 1089786546 /nfs/dbraw/zinc/78/65/46/1089786546.db2.gz DDOCIDFLHLZFNK-CQSZACIVSA-N 1 1 314.389 3.062 20 5 DGBDMO CC(C)[N@H+]1CC[C@H](Nc2nccc(Cl)c2[N+](=O)[O-])[C@@H](C)C1 ZINC001163357830 1090160679 /nfs/dbraw/zinc/16/06/79/1090160679.db2.gz MJBLVRUTEWGFDQ-JQWIXIFHSA-N 1 1 312.801 3.174 20 5 DGBDMO CC(C)[N@H+]1CC[C@@H](Nc2ncc([N+](=O)[O-])cc2Cl)[C@@H](C)C1 ZINC001163358622 1090162383 /nfs/dbraw/zinc/16/23/83/1090162383.db2.gz WHFBFYXVJKCGMH-GXFFZTMASA-N 1 1 312.801 3.174 20 5 DGBDMO CC(C)[N@H+]1CCN(c2nccc3ccc([N+](=O)[O-])cc32)C[C@H]1C ZINC001165199647 1090478551 /nfs/dbraw/zinc/47/85/51/1090478551.db2.gz GJIWXILFAWHETL-CYBMUJFWSA-N 1 1 314.389 3.062 20 5 DGBDMO CC[N@@H+](CCC(=O)Nc1cc([N+](=O)[O-])ccc1F)C(C)(C)C ZINC001117804731 1091073897 /nfs/dbraw/zinc/07/38/97/1091073897.db2.gz PKHYJAHPJFCADJ-UHFFFAOYSA-N 1 1 311.357 3.183 20 5 DGBDMO O=[N+]([O-])C[C@@H]1CC[C@@H]([N@H+]2CCSC[C@@H]2c2ccccc2)C1 ZINC001169034942 1092496503 /nfs/dbraw/zinc/49/65/03/1092496503.db2.gz ISYBGGVWCVQLMR-FVQBIDKESA-N 1 1 306.431 3.222 20 5 DGBDMO O=[N+]([O-])C[C@@H]1CC[C@H]([N@H+]2CCSC[C@@H]2c2ccc(F)cc2)C1 ZINC001169032986 1092496866 /nfs/dbraw/zinc/49/68/66/1092496866.db2.gz AMYUMWROQVTVIU-UHOFOFEASA-N 1 1 324.421 3.361 20 5 DGBDMO COc1ccccc1[C@@H]1CCC[N@H+]1[C@H]1CC[C@H](C[N+](=O)[O-])C1 ZINC001169038325 1092500851 /nfs/dbraw/zinc/50/08/51/1092500851.db2.gz YCZXWGJLALXMHQ-DZKIICNBSA-N 1 1 304.390 3.278 20 5 DGBDMO COc1cccc(CCC[N@@H+](C)[C@@H]2CC[C@@H](C[N+](=O)[O-])C2)c1 ZINC001169038807 1092501070 /nfs/dbraw/zinc/50/10/70/1092501070.db2.gz KNTPWFNOUGMTDC-HZPDHXFCSA-N 1 1 306.406 3.005 20 5 DGBDMO CC(C)[N@@H+](CC(=O)c1ccccc1)[C@@H]1CC[C@@H](C[N+](=O)[O-])C1 ZINC001169039293 1092501810 /nfs/dbraw/zinc/50/18/10/1092501810.db2.gz PKRHNCWSPRRSNA-GDBMZVCRSA-N 1 1 304.390 3.025 20 5 DGBDMO COc1ccc([C@@H]2CCC[N@H+]2[C@@H]2CC[C@H](C[N+](=O)[O-])C2)cc1 ZINC001169026408 1092506612 /nfs/dbraw/zinc/50/66/12/1092506612.db2.gz LSNJTPCIPVKPPS-LXZKKBNFSA-N 1 1 304.390 3.278 20 5 DGBDMO COc1ncc(Nc2cccn3c(C)c(C)[nH+]c23)cc1[N+](=O)[O-] ZINC001210136556 1093055745 /nfs/dbraw/zinc/05/57/45/1093055745.db2.gz LDFOBZQXVJIRHA-UHFFFAOYSA-N 1 1 313.317 3.007 20 5 DGBDMO C[N@H+]1CCc2ccc(Nc3ccc(F)cc3[N+](=O)[O-])cc2C1 ZINC001210954761 1093335738 /nfs/dbraw/zinc/33/57/38/1093335738.db2.gz NYLVRXFMQOQCSY-UHFFFAOYSA-N 1 1 301.321 3.465 20 5 DGBDMO CCCCCCc1nnc([C@H]([NH3+])Cc2cccc([N+](=O)[O-])c2)o1 ZINC001217715675 1094481406 /nfs/dbraw/zinc/48/14/06/1094481406.db2.gz XSBRICQTRXCIMW-CQSZACIVSA-N 1 1 318.377 3.343 20 5 DGBDMO O=[N+]([O-])c1ccc2c(c1)nccc2N[C@@H]1CC[N@H+]2CCCC[C@H]12 ZINC001337733489 1095074288 /nfs/dbraw/zinc/07/42/88/1095074288.db2.gz MQXUFNFORCIFSU-NVXWUHKLSA-N 1 1 312.373 3.182 20 5 DGBDMO CC[N@H+]1CCC[C@@H](CN[C@@H](C)c2cccc([N+](=O)[O-])c2C)C1 ZINC001116293145 1095508670 /nfs/dbraw/zinc/50/86/70/1095508670.db2.gz KMRXMAAHABXJKH-GJZGRUSLSA-N 1 1 305.422 3.286 20 5 DGBDMO CC[N@H+](Cc1ccccc1F)C[C@H](O)c1ccc([N+](=O)[O-])cc1 ZINC001116479241 1095571200 /nfs/dbraw/zinc/57/12/00/1095571200.db2.gz PCTWYYQTQOJLNY-KRWDZBQOSA-N 1 1 318.348 3.289 20 5 DGBDMO CC(C)[N@H+]1CCC[C@H](OCc2nc3cc([N+](=O)[O-])ccc3o2)C1 ZINC001222932609 1095793101 /nfs/dbraw/zinc/79/31/01/1095793101.db2.gz XJGWCPVGFBYOMN-ZDUSSCGKSA-N 1 1 319.361 3.125 20 5 DGBDMO C/C(=C/c1cccc([N+](=O)[O-])c1)C[N@@H+]1CC[C@@](CO)(C(C)C)C1 ZINC001117682168 1095798527 /nfs/dbraw/zinc/79/85/27/1095798527.db2.gz DAEKNQXIPVPURH-IDGGIGOKSA-N 1 1 318.417 3.339 20 5 DGBDMO Cc1ccc(CO[C@H]2[C@@H]3CCC[C@H]2C[N@H+](C)C3)cc1[N+](=O)[O-] ZINC001223221560 1095907909 /nfs/dbraw/zinc/90/79/09/1095907909.db2.gz GCSHGPGTHBBLMJ-QLPKVWCKSA-N 1 1 304.390 3.150 20 5 DGBDMO CC[N@H+]1CCC[C@H](CNc2ccnc3c2cccc3[N+](=O)[O-])C1 ZINC001118516744 1096026098 /nfs/dbraw/zinc/02/60/98/1096026098.db2.gz LEHJYLUELYICAT-CYBMUJFWSA-N 1 1 314.389 3.287 20 5 DGBDMO Cc1cc(N2CCC[C@@H](Cc3[nH+]ccn3C)C2)c([N+](=O)[O-])s1 ZINC001118528757 1096027434 /nfs/dbraw/zinc/02/74/34/1096027434.db2.gz DSTCZILATCBIFM-LBPRGKRZSA-N 1 1 320.418 3.157 20 5 DGBDMO Cc1cc(N2CCC[C@H](Cc3[nH+]ccn3C)C2)c([N+](=O)[O-])s1 ZINC001118528756 1096028522 /nfs/dbraw/zinc/02/85/22/1096028522.db2.gz DSTCZILATCBIFM-GFCCVEGCSA-N 1 1 320.418 3.157 20 5 DGBDMO Cc1[nH+]ccn1CCCNc1ncc([N+](=O)[O-])c2ccccc12 ZINC001119406447 1096192221 /nfs/dbraw/zinc/19/22/21/1096192221.db2.gz LBXBUSVGIAVHFA-UHFFFAOYSA-N 1 1 311.345 3.150 20 5 DGBDMO Cn1ccnc1[C@H]([NH2+]CCCC(F)F)c1cccc([N+](=O)[O-])c1 ZINC001119540064 1096222813 /nfs/dbraw/zinc/22/28/13/1096222813.db2.gz DSBXHNHULOSNJC-CQSZACIVSA-N 1 1 324.331 3.053 20 5 DGBDMO Cc1ccc2c(c1)CC[N@H+](CCOc1cccc([N+](=O)[O-])c1)C2 ZINC001171332122 1096369229 /nfs/dbraw/zinc/36/92/29/1096369229.db2.gz MVTAACCVHKDPQE-UHFFFAOYSA-N 1 1 312.369 3.340 20 5 DGBDMO C[C@@H](Oc1cccnc1C[NH+](C)C)c1ccccc1[N+](=O)[O-] ZINC001225279113 1096382627 /nfs/dbraw/zinc/38/26/27/1096382627.db2.gz URHRJJGQXVUOFS-GFCCVEGCSA-N 1 1 301.346 3.191 20 5 DGBDMO COc1cc(O[C@H]2C[C@H]3CC[C@@H](C2)[N@@H+]3C(C)C)ccc1[N+](=O)[O-] ZINC001225441771 1096433378 /nfs/dbraw/zinc/43/33/78/1096433378.db2.gz YWGIBPJEYPVADA-NHAGDIPZSA-N 1 1 320.389 3.386 20 5 DGBDMO C[NH+](C)CC[C@@H](Oc1cc(O)ccc1[N+](=O)[O-])c1ccccc1 ZINC001225491466 1096446950 /nfs/dbraw/zinc/44/69/50/1096446950.db2.gz OZINLSUPBDYXOM-MRXNPFEDSA-N 1 1 316.357 3.372 20 5 DGBDMO O=[N+]([O-])c1cc(OC2CC[NH+](CCF)CC2)c(Cl)cc1F ZINC001226195850 1096634844 /nfs/dbraw/zinc/63/48/44/1096634844.db2.gz LVOXDXUURMOLHD-UHFFFAOYSA-N 1 1 320.723 3.200 20 5 DGBDMO CC[N@H+]1CCC[C@@H](Oc2cc(Cl)c(F)cc2[N+](=O)[O-])C1 ZINC001226908108 1096812604 /nfs/dbraw/zinc/81/26/04/1096812604.db2.gz DDRBWXMPVKZBAZ-SECBINFHSA-N 1 1 302.733 3.250 20 5 DGBDMO Cc1ccc([N+](=O)[O-])c(Cl)c1O[C@H]1CCc2[nH+]ccn2C1 ZINC001226992288 1096837820 /nfs/dbraw/zinc/83/78/20/1096837820.db2.gz RMYSCXDCCKJYFP-JTQLQIEISA-N 1 1 307.737 3.147 20 5 DGBDMO O=[N+]([O-])c1cc(Cl)c(F)cc1OC1CC[NH+](CCF)CC1 ZINC001227154488 1096881427 /nfs/dbraw/zinc/88/14/27/1096881427.db2.gz UBANEMRWAICCHK-UHFFFAOYSA-N 1 1 320.723 3.200 20 5 DGBDMO C[N@@H+]1CCC[C@@H](Oc2cc(Cl)c([N+](=O)[O-])cc2Cl)C1 ZINC001228154895 1097064434 /nfs/dbraw/zinc/06/44/34/1097064434.db2.gz OPWBPRFIXURBRZ-MRVPVSSYSA-N 1 1 305.161 3.375 20 5 DGBDMO C[N@H+]1CCC[C@@H](Oc2cc(Cl)c([N+](=O)[O-])cc2Cl)C1 ZINC001228154895 1097064437 /nfs/dbraw/zinc/06/44/37/1097064437.db2.gz OPWBPRFIXURBRZ-MRVPVSSYSA-N 1 1 305.161 3.375 20 5 DGBDMO O=[N+]([O-])c1cc(Cl)cc(OC2CC[NH+](CCF)CC2)c1 ZINC001228256026 1097083027 /nfs/dbraw/zinc/08/30/27/1097083027.db2.gz PGZCVRQQRPUCNB-UHFFFAOYSA-N 1 1 302.733 3.061 20 5 DGBDMO C[N@H+]1CCc2cc(O[C@H]3Cc4ccc([N+](=O)[O-])cc4C3)ccc2C1 ZINC001228937168 1097221316 /nfs/dbraw/zinc/22/13/16/1097221316.db2.gz XIFBJRKWUMKHJM-IBGZPJMESA-N 1 1 324.380 3.129 20 5 DGBDMO O=[N+]([O-])c1ccc2c(c1)CC[C@@H]([N@H+]1CC[C@@]3(CCCO3)C1)CC2 ZINC001172906886 1097269028 /nfs/dbraw/zinc/26/90/28/1097269028.db2.gz ZEKXDYSPXUPKPP-WMZOPIPTSA-N 1 1 316.401 3.097 20 5 DGBDMO C[C@@]1(O)CCC[N@H+]([C@H]2CCc3ccc([N+](=O)[O-])cc3CC2)CC1 ZINC001172907881 1097270459 /nfs/dbraw/zinc/27/04/59/1097270459.db2.gz IPHHSKAWRKZSDU-FUHWJXTLSA-N 1 1 318.417 3.079 20 5 DGBDMO CCC(=O)c1cc([N+](=O)[O-])ccc1O[C@H]1CCC[N@H+](C(C)C)C1 ZINC001229179484 1097271752 /nfs/dbraw/zinc/27/17/52/1097271752.db2.gz MLGRWXBSJNDHTF-AWEZNQCLSA-N 1 1 320.389 3.439 20 5 DGBDMO O=[N+]([O-])c1ccc2c(c1)CC[C@@H]([N@H+]1CCC[C@]3(CCO3)C1)CC2 ZINC001172915258 1097279050 /nfs/dbraw/zinc/27/90/50/1097279050.db2.gz MSCAGJOUPWQFKU-WMZOPIPTSA-N 1 1 316.401 3.097 20 5 DGBDMO O=[N+]([O-])c1ccc2c(c1)CC[C@H]([N@H+]1Cc3ccncc3C1)CC2 ZINC001172918222 1097280206 /nfs/dbraw/zinc/28/02/06/1097280206.db2.gz ZHNUCDZOHHVVOQ-QGZVFWFLSA-N 1 1 309.369 3.253 20 5 DGBDMO CN(C)CCC(C)(C)[NH2+][C@H]1CCc2ccc([N+](=O)[O-])cc2CC1 ZINC001172911322 1097292062 /nfs/dbraw/zinc/29/20/62/1097292062.db2.gz INPRTDDXITYJET-INIZCTEOSA-N 1 1 319.449 3.162 20 5 DGBDMO C[C@]1(O)CCCC[N@H+]([C@H]2CCc3ccc([N+](=O)[O-])cc3CC2)C1 ZINC001172910441 1097292317 /nfs/dbraw/zinc/29/23/17/1097292317.db2.gz ZYQWGDSSSYNTMF-WMZOPIPTSA-N 1 1 318.417 3.079 20 5 DGBDMO Cc1cc(O[C@@H]2[C@@H]3CCC[C@H]2C[N@H+](C)C3)cc(C)c1[N+](=O)[O-] ZINC001229470374 1097327186 /nfs/dbraw/zinc/32/71/86/1097327186.db2.gz PKUDYEUPDZSKSL-XOIINTDNSA-N 1 1 304.390 3.321 20 5 DGBDMO COc1ccc([N+](=O)[O-])c(C[C@H](C)[N@H+]2CCC3(CC3)C2)c1F ZINC001173181899 1097356913 /nfs/dbraw/zinc/35/69/13/1097356913.db2.gz QEVBWPFJCBOTDP-NSHDSACASA-N 1 1 308.353 3.159 20 5 DGBDMO COc1ccc([N+](=O)[O-])c(C[C@@H](C)[NH+]2CC3(CCC3)C2)c1F ZINC001173183197 1097357076 /nfs/dbraw/zinc/35/70/76/1097357076.db2.gz XCNDJCNGNUADCB-LLVKDONJSA-N 1 1 308.353 3.159 20 5 DGBDMO COc1ccc([N+](=O)[O-])c(C[C@@H](C)[N@@H+](C)CC2CCC2)c1F ZINC001173190546 1097357534 /nfs/dbraw/zinc/35/75/34/1097357534.db2.gz VNLMOLTXHQJLDT-LLVKDONJSA-N 1 1 310.369 3.405 20 5 DGBDMO CO[C@H]1CCC[C@@H]2C[N@H+]([C@@H](C)Cc3ccc([N+](=O)[O-])cc3)C[C@@H]21 ZINC001173229954 1097375781 /nfs/dbraw/zinc/37/57/81/1097375781.db2.gz YGDNZAMGWXAAPJ-DHXZDTOLSA-N 1 1 318.417 3.273 20 5 DGBDMO C[C@H](Cc1ccc([N+](=O)[O-])cc1)[N@H+]1CCC[C@H]1c1cnccn1 ZINC001173227677 1097376204 /nfs/dbraw/zinc/37/62/04/1097376204.db2.gz SEYZHOMCCWVYMY-DYVFJYSZSA-N 1 1 312.373 3.153 20 5 DGBDMO C[C@H](Cc1ccc([N+](=O)[O-])cc1)[N@H+]1CCC[C@@H]1c1ncccn1 ZINC001173237788 1097392847 /nfs/dbraw/zinc/39/28/47/1097392847.db2.gz MSIZHWVYIXWWRT-CZUORRHYSA-N 1 1 312.373 3.153 20 5 DGBDMO Cc1cc([N+](=O)[O-])c(C)cc1O[C@H]1[C@@H]2CCC[C@H]1C[N@H+](C)C2 ZINC001230727820 1097567978 /nfs/dbraw/zinc/56/79/78/1097567978.db2.gz FQSVLGLKMLVBJT-HALDLXJZSA-N 1 1 304.390 3.321 20 5 DGBDMO CC(C)(C)[NH+]1CC(Oc2ccc3nc4ccc(=O)cc-4oc3c2)C1 ZINC001231333076 1097723525 /nfs/dbraw/zinc/72/35/25/1097723525.db2.gz VVRRSZMAFCEHMF-UHFFFAOYSA-N 1 1 324.380 3.154 20 5 DGBDMO O=[N+]([O-])c1cccc(OCC[N@H+]2CCC[C@H](C3CCC3)C2)c1 ZINC001174705095 1097813521 /nfs/dbraw/zinc/81/35/21/1097813521.db2.gz QAZJQQBAMLJZQW-HNNXBMFYSA-N 1 1 304.390 3.486 20 5 DGBDMO CN(c1ccccc1)[C@@H]1CC[N@@H+](Cc2cccc([N+](=O)[O-])c2)C1 ZINC001174948252 1097897549 /nfs/dbraw/zinc/89/75/49/1097897549.db2.gz NMFPYPUFLKVXAF-GOSISDBHSA-N 1 1 311.385 3.306 20 5 DGBDMO C[C@@H]1CC[C@H](CO)C[N@H+]1Cc1ccc2ccc3cccnc3c2n1 ZINC001232219088 1097971244 /nfs/dbraw/zinc/97/12/44/1097971244.db2.gz QNBMLIHRCRXTGS-CABCVRRESA-N 1 1 321.424 3.376 20 5 DGBDMO C[C@@H]1CN(Cc2ccc3ccc4cccnc4c3n2)C[C@H](C)[N@@H+]1C ZINC001232223166 1097973741 /nfs/dbraw/zinc/97/37/41/1097973741.db2.gz KYESCMSVVOSAMJ-GASCZTMLSA-N 1 1 320.440 3.307 20 5 DGBDMO C[C@@H]1C[N@@H+](Cc2ccc3ccc4cccnc4c3n2)C[C@H](C)N1C ZINC001232223166 1097973745 /nfs/dbraw/zinc/97/37/45/1097973745.db2.gz KYESCMSVVOSAMJ-GASCZTMLSA-N 1 1 320.440 3.307 20 5 DGBDMO C[C@@H]1C[N@H+](Cc2ccc3ccc4cccnc4c3n2)C[C@H](C)N1C ZINC001232223166 1097973750 /nfs/dbraw/zinc/97/37/50/1097973750.db2.gz KYESCMSVVOSAMJ-GASCZTMLSA-N 1 1 320.440 3.307 20 5 DGBDMO COc1ccc(C[N@H+]2CCCC[C@@H]2[C@@H]2CCCO2)cc1[N+](=O)[O-] ZINC001176926508 1098451433 /nfs/dbraw/zinc/45/14/33/1098451433.db2.gz KBVWOWYDVPUMHL-PBHICJAKSA-N 1 1 320.389 3.137 20 5 DGBDMO c1cn2c([nH+]1)CC[C@H](Oc1ccnc3c1ccc1cccnc13)C2 ZINC001234086233 1098492505 /nfs/dbraw/zinc/49/25/05/1098492505.db2.gz BCPKWURXUKPEJZ-AWEZNQCLSA-N 1 1 316.364 3.373 20 5 DGBDMO c1cn2c([nH+]1)CC[C@@H](Oc1ccnc3c1ccc1cccnc13)C2 ZINC001234086235 1098492627 /nfs/dbraw/zinc/49/26/27/1098492627.db2.gz BCPKWURXUKPEJZ-CQSZACIVSA-N 1 1 316.364 3.373 20 5 DGBDMO CCC1CCC([N@@H+](CCO)Cc2ccc(F)cc2[N+](=O)[O-])CC1 ZINC001194066559 1100862832 /nfs/dbraw/zinc/86/28/32/1100862832.db2.gz LYWVFUXNAUGQGX-UHFFFAOYSA-N 1 1 324.396 3.497 20 5 DGBDMO CC(C)(C)[C@H]1CC[N@H+](Cc2cc(F)ccc2[N+](=O)[O-])CCO1 ZINC001198799555 1101991849 /nfs/dbraw/zinc/99/18/49/1101991849.db2.gz BJJVBJAWFKPOHI-OAHLLOKOSA-N 1 1 310.369 3.371 20 5 DGBDMO CC(C)(C)[C@H]1CC[N@@H+](Cc2cc(F)ccc2[N+](=O)[O-])CCO1 ZINC001198799555 1101991857 /nfs/dbraw/zinc/99/18/57/1101991857.db2.gz BJJVBJAWFKPOHI-OAHLLOKOSA-N 1 1 310.369 3.371 20 5 DGBDMO CC(C)(C)[C@@H]1CC[N@H+](Cc2cc(F)ccc2[N+](=O)[O-])CCO1 ZINC001198799554 1101992309 /nfs/dbraw/zinc/99/23/09/1101992309.db2.gz BJJVBJAWFKPOHI-HNNXBMFYSA-N 1 1 310.369 3.371 20 5 DGBDMO CC(C)(C)[C@@H]1CC[N@@H+](Cc2cc(F)ccc2[N+](=O)[O-])CCO1 ZINC001198799554 1101992319 /nfs/dbraw/zinc/99/23/19/1101992319.db2.gz BJJVBJAWFKPOHI-HNNXBMFYSA-N 1 1 310.369 3.371 20 5 DGBDMO O=[N+]([O-])c1ccc2c(c1)C[N@@H+](C[C@H]1CCN(c3ccccc3)C1)C2 ZINC001330613692 1104592461 /nfs/dbraw/zinc/59/24/61/1104592461.db2.gz FBBMSCYJPDDZQU-OAHLLOKOSA-N 1 1 323.396 3.437 20 5 DGBDMO O=[N+]([O-])c1ccc2c(c1)C[N@H+](C[C@H]1CCN(c3ccccc3)C1)C2 ZINC001330613692 1104592468 /nfs/dbraw/zinc/59/24/68/1104592468.db2.gz FBBMSCYJPDDZQU-OAHLLOKOSA-N 1 1 323.396 3.437 20 5 DGBDMO CC(C)C[N@H+]([C@H](C)Cc1ccccc1[N+](=O)[O-])[C@@H]1CCCNC1 ZINC001246954420 1104752492 /nfs/dbraw/zinc/75/24/92/1104752492.db2.gz ZITDXTWCEOWNDB-NVXWUHKLSA-N 1 1 319.449 3.236 20 5 DGBDMO CC(C)C[N@@H+]([C@H](C)Cc1ccccc1[N+](=O)[O-])[C@@H]1CCCNC1 ZINC001246954420 1104752495 /nfs/dbraw/zinc/75/24/95/1104752495.db2.gz ZITDXTWCEOWNDB-NVXWUHKLSA-N 1 1 319.449 3.236 20 5 DGBDMO Cc1cccc(-c2noc([C@@H]([NH3+])Cc3ccc([N+](=O)[O-])cc3)n2)c1 ZINC001248209935 1105069230 /nfs/dbraw/zinc/06/92/30/1105069230.db2.gz FRQXAMAJMFHDET-HNNXBMFYSA-N 1 1 324.340 3.196 20 5 DGBDMO Cc1cc(Nc2c(N)c3cccnc3c3ncccc32)c[nH+]c1N ZINC001249791202 1105382056 /nfs/dbraw/zinc/38/20/56/1105382056.db2.gz VGXDTMWJWKAWHG-UHFFFAOYSA-N 1 1 316.368 3.394 20 5 DGBDMO C[NH+](C)Cc1ccc2nc(-c3ccc([N+](=O)[O-])cc3F)[nH]c2c1 ZINC001250818800 1105589147 /nfs/dbraw/zinc/58/91/47/1105589147.db2.gz FSGLDVQMHOWZAC-UHFFFAOYSA-N 1 1 314.320 3.339 20 5 DGBDMO CC[N@H+]1CCC[C@@H](CN[C@H](C)c2cc([N+](=O)[O-])ccc2C)C1 ZINC001253094259 1105886920 /nfs/dbraw/zinc/88/69/20/1105886920.db2.gz BANZXHJUWLMEJH-CABCVRRESA-N 1 1 305.422 3.286 20 5 DGBDMO CCCc1nnc(-c2cc(-n3cc[nH+]c3C)ccc2[N+](=O)[O-])o1 ZINC001254026630 1106011784 /nfs/dbraw/zinc/01/17/84/1106011784.db2.gz WIKHUUFTIDFSGS-UHFFFAOYSA-N 1 1 313.317 3.091 20 5 DGBDMO CSc1ccc(C(=O)Nc2cc(C)[nH+]c(C)c2)cc1[N+](=O)[O-] ZINC001254231626 1106041400 /nfs/dbraw/zinc/04/14/00/1106041400.db2.gz XIOCSLJJWSIVCF-UHFFFAOYSA-N 1 1 317.370 3.003 20 5 DGBDMO C[C@H]1CCCC[N@H+]1C1CCN(c2ccc([N+](=O)[O-])cc2)CC1 ZINC001254475692 1106077719 /nfs/dbraw/zinc/07/77/19/1106077719.db2.gz GXMHAXSYXOOGSQ-AWEZNQCLSA-N 1 1 303.406 3.438 20 5 DGBDMO O=[N+]([O-])c1ccc(N2CCC([N@H+]3CCC[C@H]4C[C@H]43)CC2)cc1 ZINC001254480930 1106078752 /nfs/dbraw/zinc/07/87/52/1106078752.db2.gz QIUKKAWDHJEUKT-SUMWQHHRSA-N 1 1 301.390 3.048 20 5 DGBDMO C[C@@H]1C[N@@H+](C2CCN(c3ccc([N+](=O)[O-])cc3)CC2)C2(CC2)C1 ZINC001254480282 1106079029 /nfs/dbraw/zinc/07/90/29/1106079029.db2.gz CYLGMOURCZSVLG-AWEZNQCLSA-N 1 1 315.417 3.438 20 5 DGBDMO CCC[NH+](CCC)CCN[C@H](C)Cc1ccccc1[N+](=O)[O-] ZINC001254535472 1106097831 /nfs/dbraw/zinc/09/78/31/1106097831.db2.gz KHTYDYXPDHUPNV-OAHLLOKOSA-N 1 1 307.438 3.237 20 5 DGBDMO CCC[NH+](CCC)CCN[C@@H](C)Cc1ccccc1[N+](=O)[O-] ZINC001254535471 1106098025 /nfs/dbraw/zinc/09/80/25/1106098025.db2.gz KHTYDYXPDHUPNV-HNNXBMFYSA-N 1 1 307.438 3.237 20 5 DGBDMO C[C@@H](Cc1ccccc1[N+](=O)[O-])[N@H+]1CC[C@H]2O[C@@H](C)C[C@H]2C1 ZINC001254561251 1106103945 /nfs/dbraw/zinc/10/39/45/1106103945.db2.gz KOAOLZJTSVEXRM-GZIXRCOHSA-N 1 1 304.390 3.025 20 5 DGBDMO O=[N+]([O-])c1ccc2c(c1)C[C@H]([N@@H+]1CCOC[C@@H]1c1ccccc1)C2 ZINC001254595761 1106110861 /nfs/dbraw/zinc/11/08/61/1106110861.db2.gz ZLVAFMAZNQGTMG-RTBURBONSA-N 1 1 324.380 3.136 20 5 DGBDMO O=[N+]([O-])c1ccc2c(c1)C[C@H]([N@H+]1CCOC[C@@H]1c1ccccc1)C2 ZINC001254595761 1106110862 /nfs/dbraw/zinc/11/08/62/1106110862.db2.gz ZLVAFMAZNQGTMG-RTBURBONSA-N 1 1 324.380 3.136 20 5 DGBDMO CC[N@@H+](C1CC1)C1CCN(c2ccc([N+](=O)[O-])c(OC)c2)CC1 ZINC001256093603 1106368471 /nfs/dbraw/zinc/36/84/71/1106368471.db2.gz ARCXXRRXBRHDJT-UHFFFAOYSA-N 1 1 319.405 3.057 20 5 DGBDMO O=[N+]([O-])c1ccccc1OCC[N@H+]1CC[C@@H]2CCCC[C@@H]2C1 ZINC001321751969 1107425571 /nfs/dbraw/zinc/42/55/71/1107425571.db2.gz MWMYPYYJPREAGH-LSDHHAIUSA-N 1 1 304.390 3.486 20 5 DGBDMO CCOC(=O)CC(C)(C)CC[N@@H+]1Cc2ccc([N+](=O)[O-])cc2C1 ZINC001323354712 1107948914 /nfs/dbraw/zinc/94/89/14/1107948914.db2.gz KAJQZMHZQIMMLT-UHFFFAOYSA-N 1 1 320.389 3.280 20 5 DGBDMO CCOC(=O)CC(C)(C)CC[N@H+]1Cc2ccc([N+](=O)[O-])cc2C1 ZINC001323354712 1107948920 /nfs/dbraw/zinc/94/89/20/1107948920.db2.gz KAJQZMHZQIMMLT-UHFFFAOYSA-N 1 1 320.389 3.280 20 5 DGBDMO O=[N+]([O-])CC[N@@H+]1CCC[C@H](Oc2ccc(Cl)c(Cl)c2)C1 ZINC001307515089 1111309518 /nfs/dbraw/zinc/30/95/18/1111309518.db2.gz WYELNHYZKZQMBF-NSHDSACASA-N 1 1 319.188 3.113 20 5 DGBDMO O=[N+]([O-])CC[N@H+]1CCC[C@H](Oc2ccc(Cl)c(Cl)c2)C1 ZINC001307515089 1111309522 /nfs/dbraw/zinc/30/95/22/1111309522.db2.gz WYELNHYZKZQMBF-NSHDSACASA-N 1 1 319.188 3.113 20 5 DGBDMO CCC[C@H]1CCC[N@H+]([C@H](C)C(=O)Nc2cccc([N+](=O)[O-])c2)C1 ZINC001307562892 1111314334 /nfs/dbraw/zinc/31/43/34/1111314334.db2.gz HZOCECXLTPJLTO-KGLIPLIRSA-N 1 1 319.405 3.434 20 5 DGBDMO Cc1ncc([N+](=O)[O-])n1CC[N@H+]1CCC[C@@H]1CC1CCCC1 ZINC001307884720 1111350911 /nfs/dbraw/zinc/35/09/11/1111350911.db2.gz IYWWWNJFLKSJBP-OAHLLOKOSA-N 1 1 306.410 3.144 20 5 DGBDMO Cc1ccc([N+](=O)[O-])c(C)c1C[N@@H+]1CC[C@H]2[C@H](CCC[NH+]2C)C1 ZINC001308570251 1111445725 /nfs/dbraw/zinc/44/57/25/1111445725.db2.gz KTWJHLWILSYZFU-QAPCUYQASA-N 1 1 317.433 3.128 20 5 DGBDMO Cc1ccc([N+](=O)[O-])c(C)c1C[N@H+]1CC[C@H]2[C@H](CCC[NH+]2C)C1 ZINC001308570251 1111445726 /nfs/dbraw/zinc/44/57/26/1111445726.db2.gz KTWJHLWILSYZFU-QAPCUYQASA-N 1 1 317.433 3.128 20 5 DGBDMO Cc1ccc([N+](=O)[O-])c(C)c1CN1CC[C@H]2[C@H](CCC[N@H+]2C)C1 ZINC001308570251 1111445728 /nfs/dbraw/zinc/44/57/28/1111445728.db2.gz KTWJHLWILSYZFU-QAPCUYQASA-N 1 1 317.433 3.128 20 5 DGBDMO Cc1ccc([N+](=O)[O-])c(C)c1CN1CC[C@H]2[C@H](CCC[N@@H+]2C)C1 ZINC001308570251 1111445730 /nfs/dbraw/zinc/44/57/30/1111445730.db2.gz KTWJHLWILSYZFU-QAPCUYQASA-N 1 1 317.433 3.128 20 5 DGBDMO Cc1cc(NC(=O)NCCC[N@H+](C)CC(C)C)cc([N+](=O)[O-])c1 ZINC001311323238 1111595423 /nfs/dbraw/zinc/59/54/23/1111595423.db2.gz QYBMTFKWXJOZGT-UHFFFAOYSA-N 1 1 322.409 3.003 20 5 DGBDMO Cn1cccc1[C@@H]1CCC[N@H+]1CCOc1ccccc1[N+](=O)[O-] ZINC000076613397 185027308 /nfs/dbraw/zinc/02/73/08/185027308.db2.gz WQOAXJARAKLZAV-HNNXBMFYSA-N 1 1 315.373 3.149 20 5 DGBDMO C[C@H](O)C[C@H]1CCCCC[N@H+]1Cc1ccc([N+](=O)[O-])cc1F ZINC000319343717 231183215 /nfs/dbraw/zinc/18/32/15/231183215.db2.gz PDNBIAUJMDYYFW-GXTWGEPZSA-N 1 1 310.369 3.249 20 5 DGBDMO CC[C@]1(O)CC[N@@H+](Cc2ccc(-c3cccc([N+](=O)[O-])c3)o2)C1 ZINC000428431123 529441950 /nfs/dbraw/zinc/44/19/50/529441950.db2.gz KSGJADNOGVQINJ-KRWDZBQOSA-N 1 1 316.357 3.202 20 5 DGBDMO COc1cc(C[N@H+]2CCC[C@H]3CCC[C@@H]32)c([N+](=O)[O-])cc1OC ZINC000092485605 185321859 /nfs/dbraw/zinc/32/18/59/185321859.db2.gz BAZLGCPLFXBVMB-OCCSQVGLSA-N 1 1 320.389 3.377 20 5 DGBDMO C[N@@H+](CCc1ccncc1)Cc1ccc(Cl)c([N+](=O)[O-])c1 ZINC000181496045 199306001 /nfs/dbraw/zinc/30/60/01/199306001.db2.gz OTRSKGVTVPXCRB-UHFFFAOYSA-N 1 1 305.765 3.318 20 5 DGBDMO O=[N+]([O-])c1ccccc1C[NH2+][C@H](CCO)c1ccc(Cl)cc1 ZINC000286660944 219109586 /nfs/dbraw/zinc/10/95/86/219109586.db2.gz ASFHODKYBNOTNB-OAHLLOKOSA-N 1 1 320.776 3.462 20 5 DGBDMO CC[C@H](c1ccncc1)[N@@H+](C)CCOc1ccccc1[N+](=O)[O-] ZINC000130146802 432016110 /nfs/dbraw/zinc/01/61/10/432016110.db2.gz HHRAKLXFHXFTTC-OAHLLOKOSA-N 1 1 315.373 3.452 20 5 DGBDMO CC[C@H](c1ccncc1)[N@@H+](C)CCOc1cccc([N+](=O)[O-])c1 ZINC000130121087 432016305 /nfs/dbraw/zinc/01/63/05/432016305.db2.gz YORMHVFCOJUZLN-QGZVFWFLSA-N 1 1 315.373 3.452 20 5 DGBDMO CCOc1ccc([C@H](C)[NH2+]C2CCN(CC)CC2)cc1[N+](=O)[O-] ZINC000152625923 186091380 /nfs/dbraw/zinc/09/13/80/186091380.db2.gz RVBBLUFBJSYDDP-ZDUSSCGKSA-N 1 1 321.421 3.128 20 5 DGBDMO O=[N+]([O-])c1ccc(C[N@H+](Cc2cnc3ccccn23)C2CC2)cc1 ZINC000130486395 432025867 /nfs/dbraw/zinc/02/58/67/432025867.db2.gz QOTAGJBAZXOMIN-UHFFFAOYSA-N 1 1 322.368 3.407 20 5 DGBDMO O=[N+]([O-])c1ccc(C[N@@H+](Cc2cnc3ccccn23)C2CC2)cc1 ZINC000130486395 432025869 /nfs/dbraw/zinc/02/58/69/432025869.db2.gz QOTAGJBAZXOMIN-UHFFFAOYSA-N 1 1 322.368 3.407 20 5 DGBDMO CC[C@H](C)C[N@@H+](C)Cc1nc(-c2cccc([N+](=O)[O-])c2)no1 ZINC000171949689 198013340 /nfs/dbraw/zinc/01/33/40/198013340.db2.gz JDQRMNBRBIEEEC-NSHDSACASA-N 1 1 304.350 3.123 20 5 DGBDMO C[N@H+](Cc1ccccc1[N+](=O)[O-])C[C@@H](O)c1cccc(Cl)c1 ZINC000174724931 198376564 /nfs/dbraw/zinc/37/65/64/198376564.db2.gz PTNQJBTXRZMWJZ-MRXNPFEDSA-N 1 1 320.776 3.414 20 5 DGBDMO O=[N+]([O-])c1ccc(OCC[N@H+]2CCc3ccsc3C2)cc1 ZINC000132509514 432051391 /nfs/dbraw/zinc/05/13/91/432051391.db2.gz VOFOWOZDIJHOOU-UHFFFAOYSA-N 1 1 304.371 3.093 20 5 DGBDMO CCCC[N@@H+](CC)[C@H](C)C(=O)Nc1cccc([N+](=O)[O-])c1C ZINC000132669264 432052936 /nfs/dbraw/zinc/05/29/36/432052936.db2.gz LCPMHQUSNSSVAM-CYBMUJFWSA-N 1 1 307.394 3.352 20 5 DGBDMO CCCC[N@@H+](CC)[C@@H](C)C(=O)Nc1cccc([N+](=O)[O-])c1C ZINC000132669075 432052951 /nfs/dbraw/zinc/05/29/51/432052951.db2.gz LCPMHQUSNSSVAM-ZDUSSCGKSA-N 1 1 307.394 3.352 20 5 DGBDMO COC[C@H](C)[N@@H+](C)Cc1ccc(-c2ccccc2[N+](=O)[O-])o1 ZINC000179369267 432055907 /nfs/dbraw/zinc/05/59/07/432055907.db2.gz NUQOQVDHWDDICY-LBPRGKRZSA-N 1 1 304.346 3.322 20 5 DGBDMO CC[C@@]1(CO)CCC[N@H+](Cc2ccc([N+](=O)[O-])cc2Cl)C1 ZINC000187569988 200129606 /nfs/dbraw/zinc/12/96/06/200129606.db2.gz HRIRMXGXRWTUTQ-OAHLLOKOSA-N 1 1 312.797 3.233 20 5 DGBDMO CC[C@@]1(CO)CCC[N@@H+](Cc2ccc([N+](=O)[O-])cc2Cl)C1 ZINC000187569988 200129608 /nfs/dbraw/zinc/12/96/08/200129608.db2.gz HRIRMXGXRWTUTQ-OAHLLOKOSA-N 1 1 312.797 3.233 20 5 DGBDMO C[C@H]1CCCC[N@@H+](CCC(=O)Nc2ccccc2[N+](=O)[O-])C1 ZINC000187981660 200186518 /nfs/dbraw/zinc/18/65/18/200186518.db2.gz GHTDZLLQLVGKKF-ZDUSSCGKSA-N 1 1 305.378 3.045 20 5 DGBDMO COc1ccc(F)cc1C[NH2+]Cc1ccc(OC)c([N+](=O)[O-])c1 ZINC000189197657 200362705 /nfs/dbraw/zinc/36/27/05/200362705.db2.gz CXFFQTILDWMECD-UHFFFAOYSA-N 1 1 320.320 3.041 20 5 DGBDMO Cc1c(C[N@H+]2CCCC[C@H]2c2ccnn2C)cccc1[N+](=O)[O-] ZINC000281199794 216149429 /nfs/dbraw/zinc/14/94/29/216149429.db2.gz AKCKANBVBQFDGS-KRWDZBQOSA-N 1 1 314.389 3.364 20 5 DGBDMO Cc1c(C[N@@H+]2CCCC[C@H]2c2ccnn2C)cccc1[N+](=O)[O-] ZINC000281199794 216149432 /nfs/dbraw/zinc/14/94/32/216149432.db2.gz AKCKANBVBQFDGS-KRWDZBQOSA-N 1 1 314.389 3.364 20 5 DGBDMO O=C(C[N@H+]1CC[C@H]2CCC[C@@H]21)Nc1ccc(Cl)cc1[N+](=O)[O-] ZINC000426454558 237972937 /nfs/dbraw/zinc/97/29/37/237972937.db2.gz QNKOUTOIWOWSTF-MFKMUULPSA-N 1 1 323.780 3.061 20 5 DGBDMO Cc1cccc(NCCNc2ccc([N+](=O)[O-])c3cccnc23)[nH+]1 ZINC000427413226 237995344 /nfs/dbraw/zinc/99/53/44/237995344.db2.gz LELICLHSRCUHAR-UHFFFAOYSA-N 1 1 323.356 3.370 20 5 DGBDMO O=[N+]([O-])c1ccccc1-c1ccc(C[N@@H+]2CCC[C@H]2CCO)o1 ZINC000428470580 238022670 /nfs/dbraw/zinc/02/26/70/238022670.db2.gz QLMQCIIQCJPXOB-ZDUSSCGKSA-N 1 1 316.357 3.202 20 5 DGBDMO COc1cccc(C[N@H+](C)Cc2ccc([N+](=O)[O-])cc2OC)c1 ZINC000430204366 238070974 /nfs/dbraw/zinc/07/09/74/238070974.db2.gz RAOJXXHQDPNYSU-UHFFFAOYSA-N 1 1 316.357 3.244 20 5 DGBDMO COc1cccc(C[N@@H+](C)Cc2ccc([N+](=O)[O-])cc2OC)c1 ZINC000430204366 238070975 /nfs/dbraw/zinc/07/09/75/238070975.db2.gz RAOJXXHQDPNYSU-UHFFFAOYSA-N 1 1 316.357 3.244 20 5 DGBDMO COc1ccc(C[N@H+]2CCS[C@@H]3CCCC[C@H]32)cc1[N+](=O)[O-] ZINC000246074803 432091643 /nfs/dbraw/zinc/09/16/43/432091643.db2.gz DBPQPTMZHKFCTM-CZUORRHYSA-N 1 1 322.430 3.463 20 5 DGBDMO Cc1cc([N+](=O)[O-])ccc1NC(=O)C[N@@H+]1CCC[C@@H]1CC(C)C ZINC000435676954 238334594 /nfs/dbraw/zinc/33/45/94/238334594.db2.gz AGKOXXNHMBRVMQ-CQSZACIVSA-N 1 1 319.405 3.352 20 5 DGBDMO COc1ccc(OCC[N@H+]2C[C@H](C)CCC[C@@H]2C)c([N+](=O)[O-])c1 ZINC000441448126 239053215 /nfs/dbraw/zinc/05/32/15/239053215.db2.gz OKBZJKMWSJHJDA-KGLIPLIRSA-N 1 1 322.405 3.493 20 5 DGBDMO Cc1cc([N+](=O)[O-])ccc1NC(=O)C[N@@H+]1CC[C@H](C)C[C@@H](C)C1 ZINC000443643993 239223532 /nfs/dbraw/zinc/22/35/32/239223532.db2.gz WSZFEAOTICWOPB-QWHCGFSZSA-N 1 1 319.405 3.210 20 5 DGBDMO C[C@H]1CC[N@@H+](CCC(=O)Nc2ccc([N+](=O)[O-])cc2)C[C@@H](C)C1 ZINC000443657111 239224975 /nfs/dbraw/zinc/22/49/75/239224975.db2.gz QOTMQMTUUUNJGM-KBPBESRZSA-N 1 1 319.405 3.291 20 5 DGBDMO CC(C)Oc1ccc([N+](=O)[O-])cc1C[N@@H+](CC(C)(C)O)C1CC1 ZINC000189920175 432103833 /nfs/dbraw/zinc/10/38/33/432103833.db2.gz FHHVIUUDLLHTLU-UHFFFAOYSA-N 1 1 322.405 3.117 20 5 DGBDMO C[C@H](Cc1ccccc1[N+](=O)[O-])[NH2+][C@@H](CCN(C)C)C(C)(C)C ZINC000449138085 240033155 /nfs/dbraw/zinc/03/31/55/240033155.db2.gz AUACWUULSCOECB-PBHICJAKSA-N 1 1 321.465 3.482 20 5 DGBDMO O=[N+]([O-])c1ccc([C@@H]2CCC[N@@H+](CC[C@H]3CCOC3)C2)cc1 ZINC000449504862 240253952 /nfs/dbraw/zinc/25/39/52/240253952.db2.gz WJBGRLIRQDZBBK-GOEBONIOSA-N 1 1 304.390 3.201 20 5 DGBDMO O=[N+]([O-])c1ccccc1/C=C\C[N@H+]1CCSC[C@H]1C1CC1 ZINC000449528045 240269303 /nfs/dbraw/zinc/26/93/03/240269303.db2.gz MUZOPDROPLSWGG-IMMZDGJCSA-N 1 1 304.415 3.435 20 5 DGBDMO O=[N+]([O-])c1ccc(C[N@H+]2CC[C@@H]3C[C@H](O)CC[C@H]3C2)c(Cl)c1 ZINC000449557543 240288558 /nfs/dbraw/zinc/28/85/58/240288558.db2.gz UYVDZQGDSCBTAC-TYNCELHUSA-N 1 1 324.808 3.231 20 5 DGBDMO C[C@@H]1[C@@H](C)CC[N@H+]1Cc1cn(C)nc1-c1ccc([N+](=O)[O-])cc1 ZINC000091859266 193119507 /nfs/dbraw/zinc/11/95/07/193119507.db2.gz DMUMUXOINANPEP-QWHCGFSZSA-N 1 1 314.389 3.226 20 5 DGBDMO CCOc1cc(C[N@@H+]2CC[C@@H](OCC)[C@H](C)C2)ccc1[N+](=O)[O-] ZINC000451548636 241169390 /nfs/dbraw/zinc/16/93/90/241169390.db2.gz VFTKKXPMJLOOCL-CZUORRHYSA-N 1 1 322.405 3.240 20 5 DGBDMO CO[C@@H]1C[C@@H]([N@@H+](C)CCc2ccc([N+](=O)[O-])cc2)C12CCC2 ZINC000451849990 241257122 /nfs/dbraw/zinc/25/71/22/241257122.db2.gz LFHJVGOXBKKIAU-HZPDHXFCSA-N 1 1 304.390 3.027 20 5 DGBDMO COc1ccc([N+](=O)[O-])cc1C[N@H+]1CCC[C@]2(CCSC2)C1 ZINC000451967929 241288330 /nfs/dbraw/zinc/28/83/30/241288330.db2.gz RUESGGYRFRWOKP-INIZCTEOSA-N 1 1 322.430 3.323 20 5 DGBDMO Cc1ccc([N+](=O)[O-])cc1NC(=O)C[N@H+]1[C@H](C)CCC1(C)C ZINC000452010108 241296809 /nfs/dbraw/zinc/29/68/09/241296809.db2.gz QGJNSZGEIFYDBK-GFCCVEGCSA-N 1 1 305.378 3.105 20 5 DGBDMO C[C@@H]1CCC(C)(C)[N@H+]1Cc1nc(-c2cccc([N+](=O)[O-])c2)no1 ZINC000452015341 241299975 /nfs/dbraw/zinc/29/99/75/241299975.db2.gz VAEFYGVWNIOZTF-LLVKDONJSA-N 1 1 316.361 3.408 20 5 DGBDMO C[C@@H](NC[C@@H](C)[NH+]1CCC(C)CC1)c1cccc([N+](=O)[O-])c1 ZINC000173363420 296127195 /nfs/dbraw/zinc/12/71/95/296127195.db2.gz AXWJNLZZKHKKOM-HUUCEWRRSA-N 1 1 305.422 3.366 20 5 DGBDMO CC[C@@H]1C[N@@H+](C/C(C)=C\c2cccc([N+](=O)[O-])c2)CCCO1 ZINC000467558495 244000281 /nfs/dbraw/zinc/00/02/81/244000281.db2.gz BPDWZCWRZRFQPY-OOXMNIKJSA-N 1 1 304.390 3.499 20 5 DGBDMO C/C(=C\c1cccc([N+](=O)[O-])c1)CNC1CC[NH+](C(C)C)CC1 ZINC000468623401 244056454 /nfs/dbraw/zinc/05/64/54/244056454.db2.gz WNIUHHPSLSQZPB-RVDMUPIBSA-N 1 1 317.433 3.461 20 5 DGBDMO C/C(=C\c1cccc([N+](=O)[O-])c1)C[NH2+]C1CCN(C(C)C)CC1 ZINC000468623401 244056458 /nfs/dbraw/zinc/05/64/58/244056458.db2.gz WNIUHHPSLSQZPB-RVDMUPIBSA-N 1 1 317.433 3.461 20 5 DGBDMO C/C(=C\c1cccc([N+](=O)[O-])c1)CNCC(C)(C)C[NH+](C)C ZINC000468635947 244056970 /nfs/dbraw/zinc/05/69/70/244056970.db2.gz VMMFJHVKBQTWHZ-NTEUORMPSA-N 1 1 305.422 3.176 20 5 DGBDMO C/C(=C\c1cccc([N+](=O)[O-])c1)C[NH2+]CC(C)(C)CN(C)C ZINC000468635947 244056973 /nfs/dbraw/zinc/05/69/73/244056973.db2.gz VMMFJHVKBQTWHZ-NTEUORMPSA-N 1 1 305.422 3.176 20 5 DGBDMO C/C(=C/c1cccc([N+](=O)[O-])c1)CNCCC[NH+]1CCCCC1 ZINC000468630531 244057299 /nfs/dbraw/zinc/05/72/99/244057299.db2.gz YVJONRHZXQORMH-SSZFMOIBSA-N 1 1 317.433 3.464 20 5 DGBDMO CCN1CCC([NH2+]C/C(C)=C\c2cccc([N+](=O)[O-])c2)CC1 ZINC000468653918 244060046 /nfs/dbraw/zinc/06/00/46/244060046.db2.gz RQPGELJGFUZYFC-KAMYIIQDSA-N 1 1 303.406 3.072 20 5 DGBDMO CCOC[C@@H]1CC[N@@H+](C/C(C)=C/c2cccc([N+](=O)[O-])c2)C1 ZINC000470174866 244152297 /nfs/dbraw/zinc/15/22/97/244152297.db2.gz WZMNXEPFSQBPGK-SCZPIIQISA-N 1 1 304.390 3.357 20 5 DGBDMO CCOC[C@@H]1CC[N@@H+](C/C(C)=C\c2cccc([N+](=O)[O-])c2)C1 ZINC000470174864 244152801 /nfs/dbraw/zinc/15/28/01/244152801.db2.gz WZMNXEPFSQBPGK-IHWMJMDHSA-N 1 1 304.390 3.357 20 5 DGBDMO CC[C@@H]1C[N@H+](C/C(C)=C\c2cccc([N+](=O)[O-])c2)C[C@H](C)O1 ZINC000470179937 244154585 /nfs/dbraw/zinc/15/45/85/244154585.db2.gz FOJWMYSWUUXDNG-OEFJIQFBSA-N 1 1 304.390 3.497 20 5 DGBDMO CC[C@@H]1C[N@@H+](C/C(C)=C\c2cccc([N+](=O)[O-])c2)C[C@H](C)O1 ZINC000470179937 244154587 /nfs/dbraw/zinc/15/45/87/244154587.db2.gz FOJWMYSWUUXDNG-OEFJIQFBSA-N 1 1 304.390 3.497 20 5 DGBDMO CC[N@@H+](C)C[C@@H]1CCN(C/C(C)=C/c2cccc([N+](=O)[O-])c2)C1 ZINC000470178630 244155094 /nfs/dbraw/zinc/15/50/94/244155094.db2.gz LQKFVYKUJFROMZ-OBHPCNEJSA-N 1 1 317.433 3.272 20 5 DGBDMO CC[C@]1(CO)CCC[N@@H+](C/C(C)=C\c2cccc([N+](=O)[O-])c2)C1 ZINC000470203107 244159763 /nfs/dbraw/zinc/15/97/63/244159763.db2.gz AKAICSUYPALKGW-BXBOZWQASA-N 1 1 318.417 3.483 20 5 DGBDMO Cc1[nH+]ccn1CCCN(C)Cc1c(Cl)cccc1[N+](=O)[O-] ZINC000119509525 284144405 /nfs/dbraw/zinc/14/44/05/284144405.db2.gz VJKCRTPIYNDREV-UHFFFAOYSA-N 1 1 322.796 3.275 20 5 DGBDMO C[N@H+](Cc1c(Cl)cccc1[N+](=O)[O-])[C@H](CO)C(C)(C)C ZINC000119500233 284144449 /nfs/dbraw/zinc/14/44/49/284144449.db2.gz RKLIQYUMOGKBQU-CYBMUJFWSA-N 1 1 300.786 3.087 20 5 DGBDMO C[N@@H+](Cc1c(Cl)cccc1[N+](=O)[O-])[C@H](CO)C(C)(C)C ZINC000119500233 284144453 /nfs/dbraw/zinc/14/44/53/284144453.db2.gz RKLIQYUMOGKBQU-CYBMUJFWSA-N 1 1 300.786 3.087 20 5 DGBDMO C[C@H](CCO)[N@@H+](Cc1ccccc1)Cc1ccccc1[N+](=O)[O-] ZINC000093302966 193226157 /nfs/dbraw/zinc/22/61/57/193226157.db2.gz WLRCPZDQCDUOFA-OAHLLOKOSA-N 1 1 314.385 3.368 20 5 DGBDMO CC[C@@H]1COCC[N@@H+]1Cc1ccc(-c2cccc([N+](=O)[O-])c2)o1 ZINC000120438824 284169623 /nfs/dbraw/zinc/16/96/23/284169623.db2.gz LGPSZCUTWONWBE-CQSZACIVSA-N 1 1 316.357 3.466 20 5 DGBDMO CC[C@@H]1COCC[N@H+]1Cc1ccc(-c2cccc([N+](=O)[O-])c2)o1 ZINC000120438824 284169626 /nfs/dbraw/zinc/16/96/26/284169626.db2.gz LGPSZCUTWONWBE-CQSZACIVSA-N 1 1 316.357 3.466 20 5 DGBDMO CC(C)[C@@H](C[NH2+][C@H](C)c1cccc([N+](=O)[O-])c1)N1CCCC1 ZINC000120732165 284177219 /nfs/dbraw/zinc/17/72/19/284177219.db2.gz LGTGZVCEVYIIQN-RHSMWYFYSA-N 1 1 305.422 3.366 20 5 DGBDMO CC[C@@H]1C[N@H+](Cc2ccc(-c3cccc([N+](=O)[O-])c3)o2)CCO1 ZINC000125567849 284278523 /nfs/dbraw/zinc/27/85/23/284278523.db2.gz MXSQGDHFADNXFJ-OAHLLOKOSA-N 1 1 316.357 3.466 20 5 DGBDMO CC[C@@H]1C[N@@H+](Cc2ccc(-c3cccc([N+](=O)[O-])c3)o2)CCO1 ZINC000125567849 284278525 /nfs/dbraw/zinc/27/85/25/284278525.db2.gz MXSQGDHFADNXFJ-OAHLLOKOSA-N 1 1 316.357 3.466 20 5 DGBDMO CC[C@@H]1C[N@H+](Cc2ccc(-c3ccc([N+](=O)[O-])cc3)o2)CCO1 ZINC000125538949 284278217 /nfs/dbraw/zinc/27/82/17/284278217.db2.gz FYQRKIHWYCVSLZ-OAHLLOKOSA-N 1 1 316.357 3.466 20 5 DGBDMO CC[C@@H]1C[N@@H+](Cc2ccc(-c3ccc([N+](=O)[O-])cc3)o2)CCO1 ZINC000125538949 284278218 /nfs/dbraw/zinc/27/82/18/284278218.db2.gz FYQRKIHWYCVSLZ-OAHLLOKOSA-N 1 1 316.357 3.466 20 5 DGBDMO C[N@@H+](CCc1cccc([N+](=O)[O-])c1)Cc1ccc(Cl)nc1 ZINC000282511226 217051376 /nfs/dbraw/zinc/05/13/76/217051376.db2.gz RYIUIIIZNKZJET-UHFFFAOYSA-N 1 1 305.765 3.318 20 5 DGBDMO C[N@@H+](Cc1ccc([N+](=O)[O-])c(F)c1)[C@@H](CCO)c1ccccc1 ZINC000283000189 217377957 /nfs/dbraw/zinc/37/79/57/217377957.db2.gz FOYDIZAZHBXSNT-INIZCTEOSA-N 1 1 318.348 3.289 20 5 DGBDMO O=[N+]([O-])c1ccc(Cl)c(C[N@H+]2CC[C@@H]3OCCC[C@H]3C2)c1 ZINC000246480277 432136341 /nfs/dbraw/zinc/13/63/41/432136341.db2.gz DEVOATOBVIVDKA-NHYWBVRUSA-N 1 1 310.781 3.249 20 5 DGBDMO Cc1ccc([C@H](C)N[C@H]2CC[N@H+]3CCCC[C@@H]23)cc1[N+](=O)[O-] ZINC000268799190 432136942 /nfs/dbraw/zinc/13/69/42/432136942.db2.gz XVQTXAOJKTXCFY-BPUTZDHNSA-N 1 1 303.406 3.181 20 5 DGBDMO Cc1ccc([C@H](C)[NH2+][C@H]2CCN3CCCC[C@@H]23)cc1[N+](=O)[O-] ZINC000268799190 432136948 /nfs/dbraw/zinc/13/69/48/432136948.db2.gz XVQTXAOJKTXCFY-BPUTZDHNSA-N 1 1 303.406 3.181 20 5 DGBDMO O=[N+]([O-])c1ccccc1CN1CC[C@H]2[C@@H](CCC[N@H+]2C2CC2)C1 ZINC000246531469 432142117 /nfs/dbraw/zinc/14/21/17/432142117.db2.gz JJJLIPVWPSIKIR-YOEHRIQHSA-N 1 1 315.417 3.044 20 5 DGBDMO O=[N+]([O-])c1ccccc1/C=C/C[N@H+]1CCC[C@@H]1[C@H]1CCCO1 ZINC000284924338 218236366 /nfs/dbraw/zinc/23/63/66/218236366.db2.gz GPJSJSHQFOUPGI-KSXVNBEGSA-N 1 1 302.374 3.251 20 5 DGBDMO O=[N+]([O-])c1ccc(Cl)cc1C[NH2+][C@@H](CCO)c1ccccc1 ZINC000271668077 209111182 /nfs/dbraw/zinc/11/11/82/209111182.db2.gz MJPRBWAMFCDOQQ-HNNXBMFYSA-N 1 1 320.776 3.462 20 5 DGBDMO CC[N@@H+](CCNC(=O)Nc1c(C)ccc([N+](=O)[O-])c1C)C(C)C ZINC000085636948 252597885 /nfs/dbraw/zinc/59/78/85/252597885.db2.gz ZOOKRRNUXCCIQN-UHFFFAOYSA-N 1 1 322.409 3.063 20 5 DGBDMO CC(C)C[N@@H+](CCC(=O)Nc1ccccc1[N+](=O)[O-])C(C)C ZINC000337320801 253086250 /nfs/dbraw/zinc/08/62/50/253086250.db2.gz BKFKHVJSUOSIMW-UHFFFAOYSA-N 1 1 307.394 3.290 20 5 DGBDMO CC[N@@H+](CCC(=O)Nc1ccccc1[N+](=O)[O-])CC1CCC1 ZINC000337446188 253117231 /nfs/dbraw/zinc/11/72/31/253117231.db2.gz CGROLBVKXPFCDY-UHFFFAOYSA-N 1 1 305.378 3.045 20 5 DGBDMO CCC1(C)CC[NH+]([C@H](C)C(=O)Nc2ccccc2[N+](=O)[O-])CC1 ZINC000337696869 253161561 /nfs/dbraw/zinc/16/15/61/253161561.db2.gz TWTFVGNMUARNPV-CYBMUJFWSA-N 1 1 319.405 3.434 20 5 DGBDMO CC(C)N1CC[NH+](CCCSc2cccc([N+](=O)[O-])c2)CC1 ZINC000337761181 253170912 /nfs/dbraw/zinc/17/09/12/253170912.db2.gz PFSWJXKEJMGHOA-UHFFFAOYSA-N 1 1 323.462 3.103 20 5 DGBDMO C[C@H](c1cccc([N+](=O)[O-])c1)[N@H+]1CCC[C@@H](n2cccn2)C1 ZINC000338728661 253343002 /nfs/dbraw/zinc/34/30/02/253343002.db2.gz ZSIUDVHDEGTNNH-CZUORRHYSA-N 1 1 300.362 3.189 20 5 DGBDMO C[C@@]1(CCCO)CCC[N@H+]1Cc1ccc([N+](=O)[O-])cc1Cl ZINC000272963845 210351205 /nfs/dbraw/zinc/35/12/05/210351205.db2.gz NYQWHVIBXLIJRA-HNNXBMFYSA-N 1 1 312.797 3.375 20 5 DGBDMO CCOC[C@H]1CCC[N@@H+](C/C=C\c2ccccc2[N+](=O)[O-])C1 ZINC000255146449 285134404 /nfs/dbraw/zinc/13/44/04/285134404.db2.gz ZHJFSHLQYXTOSC-AJHXJQRKSA-N 1 1 304.390 3.357 20 5 DGBDMO O=[N+]([O-])c1ccccc1/C=C\C[N@H+](CCO)Cc1ccccc1 ZINC000255122709 285132118 /nfs/dbraw/zinc/13/21/18/285132118.db2.gz QKIXHFQWAXZDPM-POHAHGRESA-N 1 1 312.369 3.103 20 5 DGBDMO Cc1cccc(N2CCC(Oc3ccc([N+](=O)[O-])cc3)CC2)[nH+]1 ZINC000157770177 197213593 /nfs/dbraw/zinc/21/35/93/197213593.db2.gz PADOHVRBAHQCEY-UHFFFAOYSA-N 1 1 313.357 3.346 20 5 DGBDMO C[C@H]1CCC[N@@H+](Cc2cn(C)nc2-c2ccc([N+](=O)[O-])cc2)C1 ZINC000157669243 197207205 /nfs/dbraw/zinc/20/72/05/197207205.db2.gz UWEBUVWMYFECHU-ZDUSSCGKSA-N 1 1 314.389 3.227 20 5 DGBDMO Cc1cc(C[NH2+][C@@H](C)c2ccc(C)c([N+](=O)[O-])c2)nc(C)n1 ZINC000342809218 254056169 /nfs/dbraw/zinc/05/61/69/254056169.db2.gz IIEDKTIFKZLJOL-LBPRGKRZSA-N 1 1 300.362 3.161 20 5 DGBDMO CC[C@H]1CCC[N@H+]([C@H](C)C(=O)Nc2ccccc2[N+](=O)[O-])CC1 ZINC000343888006 254199980 /nfs/dbraw/zinc/19/99/80/254199980.db2.gz UDFUFZWIXGQTKG-KGLIPLIRSA-N 1 1 319.405 3.434 20 5 DGBDMO CCC[N@H+]1CCC[C@@H]1CNc1ccc([N+](=O)[O-])c(OCC)c1 ZINC000343940163 254204607 /nfs/dbraw/zinc/20/46/07/254204607.db2.gz DCZWGWVUHBXZKJ-CQSZACIVSA-N 1 1 307.394 3.280 20 5 DGBDMO C[C@H](C(=O)Nc1ccccc1[N+](=O)[O-])[N@H+]1C[C@@H](C)CC(C)(C)C1 ZINC000344066165 254220327 /nfs/dbraw/zinc/22/03/27/254220327.db2.gz PTDZOSRBZPCUCG-QWHCGFSZSA-N 1 1 319.405 3.290 20 5 DGBDMO CCC[C@@]1(CO)CC[N@H+](Cc2c(Cl)cccc2[N+](=O)[O-])C1 ZINC000344242156 254244256 /nfs/dbraw/zinc/24/42/56/254244256.db2.gz FEQBFYDJWSRIPS-OAHLLOKOSA-N 1 1 312.797 3.233 20 5 DGBDMO CCC[C@@]1(CO)CC[N@@H+](Cc2c(Cl)cccc2[N+](=O)[O-])C1 ZINC000344242156 254244258 /nfs/dbraw/zinc/24/42/58/254244258.db2.gz FEQBFYDJWSRIPS-OAHLLOKOSA-N 1 1 312.797 3.233 20 5 DGBDMO CC[C@@]1(C)CC[N@H+]([C@H](C)C(=O)Nc2ccccc2[N+](=O)[O-])C1 ZINC000344283010 254250697 /nfs/dbraw/zinc/25/06/97/254250697.db2.gz WCDFHVSKVZLTFQ-WBMJQRKESA-N 1 1 305.378 3.044 20 5 DGBDMO COCCC[N@@H+](C)Cc1ccc(-c2ccc([N+](=O)[O-])cc2)o1 ZINC000120447631 195169326 /nfs/dbraw/zinc/16/93/26/195169326.db2.gz PXFZKCHGYSURJC-UHFFFAOYSA-N 1 1 304.346 3.323 20 5 DGBDMO Cc1c(C[N@H+]2CC3(CCC3)[C@H]2[C@H]2CCCO2)cccc1[N+](=O)[O-] ZINC000289480029 221004786 /nfs/dbraw/zinc/00/47/86/221004786.db2.gz IEGFXPLJSZLMJI-IAGOWNOFSA-N 1 1 316.401 3.437 20 5 DGBDMO CC[N@@H+](CCOc1ccccc1[N+](=O)[O-])[C@H]1CCOC(C)(C)C1 ZINC000289824552 221250835 /nfs/dbraw/zinc/25/08/35/221250835.db2.gz OHINDZNDSCERKV-AWEZNQCLSA-N 1 1 322.405 3.253 20 5 DGBDMO Cc1cnn([C@@H]2CC[N@H+](Cc3ccc([N+](=O)[O-])cc3Cl)C2)c1 ZINC000289817958 221245456 /nfs/dbraw/zinc/24/54/56/221245456.db2.gz JCERPTCIECFJEJ-CQSZACIVSA-N 1 1 320.780 3.200 20 5 DGBDMO Cc1cnn([C@@H]2CC[N@@H+](Cc3ccc([N+](=O)[O-])cc3Cl)C2)c1 ZINC000289817958 221245458 /nfs/dbraw/zinc/24/54/58/221245458.db2.gz JCERPTCIECFJEJ-CQSZACIVSA-N 1 1 320.780 3.200 20 5 DGBDMO CS[C@H]1CC[N@H+](Cc2cc([N+](=O)[O-])ccc2OC(F)F)C1 ZINC000295020842 224384617 /nfs/dbraw/zinc/38/46/17/224384617.db2.gz KOGDJEXUZGWGAN-NSHDSACASA-N 1 1 318.345 3.134 20 5 DGBDMO CS[C@H]1CC[N@@H+](Cc2cc([N+](=O)[O-])ccc2OC(F)F)C1 ZINC000295020842 224384618 /nfs/dbraw/zinc/38/46/18/224384618.db2.gz KOGDJEXUZGWGAN-NSHDSACASA-N 1 1 318.345 3.134 20 5 DGBDMO C/C(=C/c1cccc([N+](=O)[O-])c1)C[N@@H+](C)C[C@H]1CCCCO1 ZINC000470174522 533381555 /nfs/dbraw/zinc/38/15/55/533381555.db2.gz LROMUWLEKAWCLM-OOXMNIKJSA-N 1 1 304.390 3.499 20 5 DGBDMO C/C(=C\c1cccc([N+](=O)[O-])c1)C[N@@H+](C[C@@H]1CCOC1)C1CC1 ZINC000470178857 533406419 /nfs/dbraw/zinc/40/64/19/533406419.db2.gz OXLCCDNSOMTEFU-IDJPSDCMSA-N 1 1 316.401 3.499 20 5 DGBDMO C/C(=C\c1cccc([N+](=O)[O-])c1)C[N@@H+](C)C[C@@H]1CCCC[C@H]1O ZINC000470210211 533406711 /nfs/dbraw/zinc/40/67/11/533406711.db2.gz AFGQMWHBZMMULZ-JRIYGVKESA-N 1 1 318.417 3.481 20 5 DGBDMO O=[N+]([O-])c1ccc(N2CCC[N@@H+](Cc3ccccc3)CC2)s1 ZINC000066410736 400086432 /nfs/dbraw/zinc/08/64/32/400086432.db2.gz TZWWDNBESZACDE-UHFFFAOYSA-N 1 1 317.414 3.369 20 5 DGBDMO Cn1ccnc1[C@@H]([NH2+]CCC(C)(C)F)c1ccc([N+](=O)[O-])cc1 ZINC000595089603 400102572 /nfs/dbraw/zinc/10/25/72/400102572.db2.gz UCYIQBCXHWERIF-AWEZNQCLSA-N 1 1 320.368 3.146 20 5 DGBDMO CCC[N@@H+]1CC[C@H](N[C@@H]2CCCc3ccc([N+](=O)[O-])cc32)C1 ZINC000595097569 400104973 /nfs/dbraw/zinc/10/49/73/400104973.db2.gz XQISLHZLSKMYAQ-WMLDXEAASA-N 1 1 303.406 3.046 20 5 DGBDMO CCC[N@H+]1CC[C@H](N[C@@H]2CCCc3ccc([N+](=O)[O-])cc32)C1 ZINC000595097569 400104974 /nfs/dbraw/zinc/10/49/74/400104974.db2.gz XQISLHZLSKMYAQ-WMLDXEAASA-N 1 1 303.406 3.046 20 5 DGBDMO CO[C@@H]1C[C@@H]([N@@H+](C)Cc2ccc(F)cc2[N+](=O)[O-])C12CCC2 ZINC000595519505 400174750 /nfs/dbraw/zinc/17/47/50/400174750.db2.gz KSPOHXMMDIMGHP-HUUCEWRRSA-N 1 1 308.353 3.123 20 5 DGBDMO Cc1ccnc([C@H]2CC[N@@H+](Cc3ccc(F)cc3[N+](=O)[O-])C2)c1 ZINC000595518455 400175555 /nfs/dbraw/zinc/17/55/55/400175555.db2.gz AIAPRXSCBYBPHF-ZDUSSCGKSA-N 1 1 315.348 3.427 20 5 DGBDMO O=[N+]([O-])c1cc(F)ccc1C[N@@H+]1CC[C@H](Oc2ccccc2)C1 ZINC000595563939 400188927 /nfs/dbraw/zinc/18/89/27/400188927.db2.gz VGXMAMFBJBOITA-INIZCTEOSA-N 1 1 316.332 3.387 20 5 DGBDMO O=[N+]([O-])c1cc(F)ccc1C[N@H+]1CC[C@H](Oc2ccccc2)C1 ZINC000595563939 400188934 /nfs/dbraw/zinc/18/89/34/400188934.db2.gz VGXMAMFBJBOITA-INIZCTEOSA-N 1 1 316.332 3.387 20 5 DGBDMO Cc1noc(C[N@H+]2CCC[C@](C)(c3ccccc3)C2)c1[N+](=O)[O-] ZINC000595323391 400126787 /nfs/dbraw/zinc/12/67/87/400126787.db2.gz NDAPWLMCGAKROR-KRWDZBQOSA-N 1 1 315.373 3.445 20 5 DGBDMO Cc1noc(C[N@@H+]2C[C@H](c3ccccc3)C[C@@H]2C)c1[N+](=O)[O-] ZINC000595322152 400127218 /nfs/dbraw/zinc/12/72/18/400127218.db2.gz MGRLFWSXLHFJKT-SMDDNHRTSA-N 1 1 301.346 3.269 20 5 DGBDMO O=[N+]([O-])c1cc(F)ccc1C[N@H+]1CCC[C@@H](C[C@H]2CCOC2)C1 ZINC000595422062 400143694 /nfs/dbraw/zinc/14/36/94/400143694.db2.gz NLJSCOGOFDTDQN-UONOGXRCSA-N 1 1 322.380 3.373 20 5 DGBDMO O=[N+]([O-])c1cc(F)ccc1C[N@H+]1CC[C@H](Cc2ccncc2)C1 ZINC000595425843 400145559 /nfs/dbraw/zinc/14/55/59/400145559.db2.gz MTQIBKWVZZPHLW-CQSZACIVSA-N 1 1 315.348 3.194 20 5 DGBDMO C[C@@H]([NH2+]Cc1cccc([N+](=O)[O-])c1)c1nc2ccccc2n1C ZINC000320313338 400163814 /nfs/dbraw/zinc/16/38/14/400163814.db2.gz VARJWXRDLIBYQL-GFCCVEGCSA-N 1 1 310.357 3.332 20 5 DGBDMO CC(C)[N@@H+](C)C[C@H](C)Nc1ccc([N+](=O)[O-])c2cccnc12 ZINC000320569580 400165736 /nfs/dbraw/zinc/16/57/36/400165736.db2.gz MAERVJGAZLDIPR-LBPRGKRZSA-N 1 1 302.378 3.284 20 5 DGBDMO Cc1cc([C@@H]2CCC[N@@H+]2CCOc2ccc([N+](=O)[O-])cc2)no1 ZINC000067386840 400166959 /nfs/dbraw/zinc/16/69/59/400166959.db2.gz BLTJVGZWMCNIRR-INIZCTEOSA-N 1 1 317.345 3.107 20 5 DGBDMO Cc1cc([C@@H]2CCC[N@H+]2CCOc2ccc([N+](=O)[O-])cc2)no1 ZINC000067386840 400166964 /nfs/dbraw/zinc/16/69/64/400166964.db2.gz BLTJVGZWMCNIRR-INIZCTEOSA-N 1 1 317.345 3.107 20 5 DGBDMO C[C@@]12CC[N@H+](Cc3ccc(F)cc3[N+](=O)[O-])C[C@@H]1C2(F)F ZINC000595499822 400169168 /nfs/dbraw/zinc/16/91/68/400169168.db2.gz ONEDEBSGUIQZEI-QWHCGFSZSA-N 1 1 300.280 3.211 20 5 DGBDMO C[C@@]12CC[N@@H+](Cc3ccc(F)cc3[N+](=O)[O-])C[C@@H]1C2(F)F ZINC000595499822 400169170 /nfs/dbraw/zinc/16/91/70/400169170.db2.gz ONEDEBSGUIQZEI-QWHCGFSZSA-N 1 1 300.280 3.211 20 5 DGBDMO Cc1ccc([N+](=O)[O-])cc1[C@H](C)N1CCC[C@@]2(CC[N@@H+](C)C2)C1 ZINC000595505237 400170784 /nfs/dbraw/zinc/17/07/84/400170784.db2.gz QZRXCJJCZSRFLN-YJBOKZPZSA-N 1 1 317.433 3.382 20 5 DGBDMO C[C@H](c1ccccc1)[N@H+](C)CC(=O)Nc1ccccc1[N+](=O)[O-] ZINC000024684959 400223397 /nfs/dbraw/zinc/22/33/97/400223397.db2.gz ICCCIAGJOYBHRY-CYBMUJFWSA-N 1 1 313.357 3.226 20 5 DGBDMO C[C@H](c1ccccc1)[N@@H+](C)CC(=O)Nc1ccccc1[N+](=O)[O-] ZINC000024684959 400223403 /nfs/dbraw/zinc/22/34/03/400223403.db2.gz ICCCIAGJOYBHRY-CYBMUJFWSA-N 1 1 313.357 3.226 20 5 DGBDMO CC(C)c1ccc(C[N@H+]2CCC[C@H](CCO)C2)cc1[N+](=O)[O-] ZINC000093106589 400226371 /nfs/dbraw/zinc/22/63/71/400226371.db2.gz HBECCFXFZYOQNM-CQSZACIVSA-N 1 1 306.406 3.313 20 5 DGBDMO O=[N+]([O-])c1ccc2[nH+]ccc(N3CCC[C@H](c4cc[nH]n4)C3)c2c1 ZINC000601106130 400233187 /nfs/dbraw/zinc/23/31/87/400233187.db2.gz SCCKSLFMURANEM-LBPRGKRZSA-N 1 1 323.356 3.250 20 5 DGBDMO C[C@@H]1CN(c2cc[nH+]c3ccc([N+](=O)[O-])cc32)CC(C)(C)O1 ZINC000601108158 400234593 /nfs/dbraw/zinc/23/45/93/400234593.db2.gz GXWSXFKFUMSUPS-LLVKDONJSA-N 1 1 301.346 3.147 20 5 DGBDMO COC(=O)C(C)(C)[C@H]1CCC[N@@H+](Cc2ccc([N+](=O)[O-])cc2)C1 ZINC000093282795 400236562 /nfs/dbraw/zinc/23/65/62/400236562.db2.gz JKCDZVOYDOOSFT-AWEZNQCLSA-N 1 1 320.389 3.006 20 5 DGBDMO C[C@@H]1CCC[N@@H+](Cc2ccc([N+](=O)[O-])cc2Cl)[C@@H]1CCO ZINC000595706959 400237060 /nfs/dbraw/zinc/23/70/60/400237060.db2.gz ZPSBYBOXPISHGD-IAQYHMDHSA-N 1 1 312.797 3.231 20 5 DGBDMO COC[C@@H]1CCCN(c2cc[nH+]c3ccc([N+](=O)[O-])cc32)C1 ZINC000601116546 400238320 /nfs/dbraw/zinc/23/83/20/400238320.db2.gz NAOLVXYMKUGOFF-GFCCVEGCSA-N 1 1 301.346 3.006 20 5 DGBDMO CC1(C)CN(c2cc[nH+]c3ccc([N+](=O)[O-])cc32)CCCO1 ZINC000601119223 400239489 /nfs/dbraw/zinc/23/94/89/400239489.db2.gz VLNTXEZYHQSLOX-UHFFFAOYSA-N 1 1 301.346 3.148 20 5 DGBDMO C[C@H]1CN(c2cc[nH+]c3ccc([N+](=O)[O-])cc32)C[C@H](C2CC2)O1 ZINC000601156427 400250611 /nfs/dbraw/zinc/25/06/11/400250611.db2.gz QLKFANFUXXPFBC-APPDUMDISA-N 1 1 313.357 3.147 20 5 DGBDMO COc1ccc(OCC[N@@H+](C)Cc2ccsc2)c([N+](=O)[O-])c1 ZINC000610367572 400251115 /nfs/dbraw/zinc/25/11/15/400251115.db2.gz BXYTVNCQOWXGKD-UHFFFAOYSA-N 1 1 322.386 3.176 20 5 DGBDMO O=[N+]([O-])c1ccc(-c2noc(C[N@@H+]3C[C@@H]4CCCC[C@@H]43)n2)cc1 ZINC000595567012 400190997 /nfs/dbraw/zinc/19/09/97/400190997.db2.gz QWGPUNIRJXPTST-JSGCOSHPSA-N 1 1 314.345 3.019 20 5 DGBDMO O=[N+]([O-])c1ccc(-c2noc(C[N@H+]3C[C@@H]4CCCC[C@@H]43)n2)cc1 ZINC000595567012 400191000 /nfs/dbraw/zinc/19/10/00/400191000.db2.gz QWGPUNIRJXPTST-JSGCOSHPSA-N 1 1 314.345 3.019 20 5 DGBDMO CC[N@@H+](C)Cc1cccc(CNc2ccc([N+](=O)[O-])cn2)c1 ZINC000067710828 400196703 /nfs/dbraw/zinc/19/67/03/400196703.db2.gz OYYRZGGAEIGREB-UHFFFAOYSA-N 1 1 300.362 3.054 20 5 DGBDMO O=[N+]([O-])c1ccc(-c2ccc(C[NH2+]Cc3ncc[nH]3)s2)cc1 ZINC000610150867 400217189 /nfs/dbraw/zinc/21/71/89/400217189.db2.gz BPXLFZIBLKEQCX-UHFFFAOYSA-N 1 1 314.370 3.336 20 5 DGBDMO CN(c1ccccc1)[C@H]1CC[N@@H+](Cc2ccccc2[N+](=O)[O-])C1 ZINC000595826038 400272577 /nfs/dbraw/zinc/27/25/77/400272577.db2.gz JRZYLHMBIFXLST-KRWDZBQOSA-N 1 1 311.385 3.306 20 5 DGBDMO C[C@@H]1C[N@H+](Cc2ccccc2)CCN1c1ccc([N+](=O)[O-])s1 ZINC000610550205 400275466 /nfs/dbraw/zinc/27/54/66/400275466.db2.gz NLSAITHTESHPCU-CYBMUJFWSA-N 1 1 317.414 3.367 20 5 DGBDMO C[C@@H]1C[N@@H+](Cc2ccccc2)CCN1c1ccc([N+](=O)[O-])s1 ZINC000610550205 400275469 /nfs/dbraw/zinc/27/54/69/400275469.db2.gz NLSAITHTESHPCU-CYBMUJFWSA-N 1 1 317.414 3.367 20 5 DGBDMO Cc1c(NC(=O)[C@@H](C)[N@@H+](C)C[C@@H]2CC2(C)C)cccc1[N+](=O)[O-] ZINC000595910852 400292224 /nfs/dbraw/zinc/29/22/24/400292224.db2.gz SWSVVQPSUUGWIU-OLZOCXBDSA-N 1 1 319.405 3.208 20 5 DGBDMO CC(C)[C@H]1c2ccccc2CC[N@@H+]1CCn1ccc([N+](=O)[O-])n1 ZINC000610788067 400305853 /nfs/dbraw/zinc/30/58/53/400305853.db2.gz SHDGCEKSCHHOTR-KRWDZBQOSA-N 1 1 314.389 3.047 20 5 DGBDMO O=[N+]([O-])c1cc(C[NH2+]Cc2cnccc2C(F)(F)F)cs1 ZINC000596063200 400307446 /nfs/dbraw/zinc/30/74/46/400307446.db2.gz VOXZKRKOMRSVIS-UHFFFAOYSA-N 1 1 317.292 3.360 20 5 DGBDMO C[C@@H](NC[C@@H]1CCC[N@@H+](CC2CC2)C1)c1ccc([N+](=O)[O-])cc1 ZINC000596094079 400315855 /nfs/dbraw/zinc/31/58/55/400315855.db2.gz JFAHHGWXDVSELL-ZBFHGGJFSA-N 1 1 317.433 3.367 20 5 DGBDMO O=[N+]([O-])c1cc(C[N@H+]2CCC[C@@H]([C@@H]3CCCCO3)C2)cs1 ZINC000595788281 400259345 /nfs/dbraw/zinc/25/93/45/400259345.db2.gz IFMSHZGVVBFVIC-KGLIPLIRSA-N 1 1 310.419 3.437 20 5 DGBDMO COc1ccc([N+](=O)[O-])cc1OC[C@H]1CCCC[N@H+]1C(C)C ZINC000596242381 400358227 /nfs/dbraw/zinc/35/82/27/400358227.db2.gz PDYAJNYQYWKCSI-CQSZACIVSA-N 1 1 308.378 3.245 20 5 DGBDMO C[C@H]1CCC[C@H]([N@@H+](C)Cc2cc3c(cc2[N+](=O)[O-])OCCO3)C1 ZINC000611254215 400365144 /nfs/dbraw/zinc/36/51/44/400365144.db2.gz UDAJLSHOURVWII-JSGCOSHPSA-N 1 1 320.389 3.377 20 5 DGBDMO COc1cc(NC[C@@H]2CC[N@H+]2C(C)(C)C)c([N+](=O)[O-])cc1F ZINC000596306581 400375566 /nfs/dbraw/zinc/37/55/66/400375566.db2.gz GTAIIEHKGMBREA-JTQLQIEISA-N 1 1 311.357 3.027 20 5 DGBDMO COc1cc(NC[C@H]2CC[N@H+]2C(C)(C)C)c([N+](=O)[O-])cc1F ZINC000596306582 400375584 /nfs/dbraw/zinc/37/55/84/400375584.db2.gz GTAIIEHKGMBREA-SNVBAGLBSA-N 1 1 311.357 3.027 20 5 DGBDMO CC(=O)c1ccc(NC[C@H]2CC[N@H+](C(C)(C)C)C2)c([N+](=O)[O-])c1 ZINC000596306867 400375828 /nfs/dbraw/zinc/37/58/28/400375828.db2.gz JBSQYASWTRXZJJ-CYBMUJFWSA-N 1 1 319.405 3.330 20 5 DGBDMO CC[C@@H]1C[C@H](C)C[N@H+]1CCC(=O)Nc1cc([N+](=O)[O-])ccc1C ZINC000072698042 400398523 /nfs/dbraw/zinc/39/85/23/400398523.db2.gz OTNFLDVAJQHLLB-GXTWGEPZSA-N 1 1 319.405 3.352 20 5 DGBDMO CC[C@H]1C[C@@H](C)C[N@H+]1CCC(=O)Nc1cc([N+](=O)[O-])ccc1C ZINC000072698045 400398798 /nfs/dbraw/zinc/39/87/98/400398798.db2.gz OTNFLDVAJQHLLB-OCCSQVGLSA-N 1 1 319.405 3.352 20 5 DGBDMO O=[N+]([O-])c1ccccc1C[N@H+]1CC2(CCOCC2)[C@@H]2CCC[C@@H]21 ZINC000590659557 400412374 /nfs/dbraw/zinc/41/23/74/400412374.db2.gz KGGFEYKXQPTWTD-WBVHZDCISA-N 1 1 316.401 3.376 20 5 DGBDMO CC[C@H]1c2ccsc2CC[N@@H+]1CCn1c(C)ncc1[N+](=O)[O-] ZINC000611618811 400430069 /nfs/dbraw/zinc/43/00/69/400430069.db2.gz PHFILTHHJZNYRN-ZDUSSCGKSA-N 1 1 320.418 3.171 20 5 DGBDMO C[C@@H]1C[C@H](C)C[N@H+](Cc2nc(-c3cccc([N+](=O)[O-])c3)no2)C1 ZINC000073602874 400459023 /nfs/dbraw/zinc/45/90/23/400459023.db2.gz VKNLQWJAULKJHX-TXEJJXNPSA-N 1 1 316.361 3.123 20 5 DGBDMO O=[N+]([O-])c1ccc(NC[C@H]2CCC[N@@H+](CC3CC3)C2)c(F)c1 ZINC000596570065 400446552 /nfs/dbraw/zinc/44/65/52/400446552.db2.gz IPWACWGGMJGPEK-CYBMUJFWSA-N 1 1 307.369 3.268 20 5 DGBDMO CCO[C@@H]1C[C@H]([N@H+](C)Cc2csc([N+](=O)[O-])c2)C12CCC2 ZINC000120997028 400450585 /nfs/dbraw/zinc/45/05/85/400450585.db2.gz KADFIUBCCSJCAN-QWHCGFSZSA-N 1 1 310.419 3.436 20 5 DGBDMO CCO[C@@H]1C[C@H]([N@@H+](C)Cc2csc([N+](=O)[O-])c2)C12CCC2 ZINC000120997028 400450587 /nfs/dbraw/zinc/45/05/87/400450587.db2.gz KADFIUBCCSJCAN-QWHCGFSZSA-N 1 1 310.419 3.436 20 5 DGBDMO C[C@@H](c1cccc([N+](=O)[O-])c1)[N@@H+]1Cc2c[nH]nc2CC(C)(C)C1 ZINC000596598451 400454793 /nfs/dbraw/zinc/45/47/93/400454793.db2.gz GLLQXQOIVGHXSB-LBPRGKRZSA-N 1 1 314.389 3.463 20 5 DGBDMO C[C@@H](c1cccc([N+](=O)[O-])c1)[N@H+]1Cc2c[nH]nc2CC(C)(C)C1 ZINC000596598451 400454796 /nfs/dbraw/zinc/45/47/96/400454796.db2.gz GLLQXQOIVGHXSB-LBPRGKRZSA-N 1 1 314.389 3.463 20 5 DGBDMO Cc1ncc([C@@H](C)[N@@H+](C)CCc2ccccc2[N+](=O)[O-])c(C)n1 ZINC000602651033 400525148 /nfs/dbraw/zinc/52/51/48/400525148.db2.gz OOMPIUVZNLFJTJ-CYBMUJFWSA-N 1 1 314.389 3.237 20 5 DGBDMO Cc1cc(NCCCC[N@@H+]2CCC[C@@H](C)C2)ncc1[N+](=O)[O-] ZINC000074740937 400531416 /nfs/dbraw/zinc/53/14/16/400531416.db2.gz BIUHAZMVFFIHHC-CYBMUJFWSA-N 1 1 306.410 3.222 20 5 DGBDMO C[N@@H+](Cc1ccc(C(F)(F)F)cc1[N+](=O)[O-])CC(C)(C)CO ZINC000602682198 400537979 /nfs/dbraw/zinc/53/79/79/400537979.db2.gz ZMYWOVBAMBJQFE-UHFFFAOYSA-N 1 1 320.311 3.064 20 5 DGBDMO C[C@]1(C2CC2)C[N@H+](C/C=C/c2ccccc2[N+](=O)[O-])CCO1 ZINC000597181045 400579350 /nfs/dbraw/zinc/57/93/50/400579350.db2.gz ZOSFBWSTKJNIRK-UKINESCASA-N 1 1 302.374 3.109 20 5 DGBDMO C[C@]1(C2CC2)C[N@@H+](C/C=C/c2ccccc2[N+](=O)[O-])CCO1 ZINC000597181045 400579355 /nfs/dbraw/zinc/57/93/55/400579355.db2.gz ZOSFBWSTKJNIRK-UKINESCASA-N 1 1 302.374 3.109 20 5 DGBDMO CCCCC[N@@H+](CC(=O)Nc1ccccc1[N+](=O)[O-])C(C)C ZINC000046017989 400544281 /nfs/dbraw/zinc/54/42/81/400544281.db2.gz QWCBTDIGJLQECO-UHFFFAOYSA-N 1 1 307.394 3.434 20 5 DGBDMO C[C@@H]1CCCC[N@H+]1Cc1nc(-c2ccc([N+](=O)[O-])cc2)no1 ZINC000047406599 400614271 /nfs/dbraw/zinc/61/42/71/400614271.db2.gz JGCRKFKZFAHKGZ-LLVKDONJSA-N 1 1 302.334 3.019 20 5 DGBDMO Cc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@@H+]1CCC[C@H]1C(C)C ZINC000140510947 400619026 /nfs/dbraw/zinc/61/90/26/400619026.db2.gz GQALLAJMECXDMT-INIZCTEOSA-N 1 1 319.405 3.352 20 5 DGBDMO C/C(=C/c1ccccc1)C[N@@H+](C)CCn1c(C)ncc1[N+](=O)[O-] ZINC000602819760 400583639 /nfs/dbraw/zinc/58/36/39/400583639.db2.gz IJWKNLKJYNVKKH-KAMYIIQDSA-N 1 1 314.389 3.135 20 5 DGBDMO C/C(=C/c1cccc([N+](=O)[O-])c1)C[N@H+]1CCC[C@@](O)(C2CC2)C1 ZINC000597203959 400587352 /nfs/dbraw/zinc/58/73/52/400587352.db2.gz AZIBEFYUSFTBLO-BLSFAOBESA-N 1 1 316.401 3.235 20 5 DGBDMO C[N@@H+](Cc1ccc(-c2cccc([N+](=O)[O-])c2)o1)C1(CO)CCC1 ZINC000597253617 400600471 /nfs/dbraw/zinc/60/04/71/400600471.db2.gz FOMTZOGQEQUDCU-UHFFFAOYSA-N 1 1 316.357 3.202 20 5 DGBDMO O=[N+]([O-])c1cc2c(cc1C[N@H+]1CC[C@@H]3CCCC[C@@H]31)OCCO2 ZINC000592518481 400662829 /nfs/dbraw/zinc/66/28/29/400662829.db2.gz SLTXCVVVLHBIRF-JSGCOSHPSA-N 1 1 318.373 3.131 20 5 DGBDMO Cc1ccc([N+](=O)[O-])cc1[C@@H](C)N[C@H]1CC[N@H+](CC2CC2)C1 ZINC000157710795 400719847 /nfs/dbraw/zinc/71/98/47/400719847.db2.gz OBHDCGWKDVWICS-HIFRSBDPSA-N 1 1 303.406 3.038 20 5 DGBDMO Cc1ccc([N+](=O)[O-])cc1[C@@H](C)N[C@H]1CC[N@@H+](CC2CC2)C1 ZINC000157710795 400719851 /nfs/dbraw/zinc/71/98/51/400719851.db2.gz OBHDCGWKDVWICS-HIFRSBDPSA-N 1 1 303.406 3.038 20 5 DGBDMO O=[N+]([O-])c1cccc(C[N@H+]2CCCN(c3ccccc3)CC2)c1 ZINC000603869617 400727291 /nfs/dbraw/zinc/72/72/91/400727291.db2.gz IZQIEJRFVRZDGA-UHFFFAOYSA-N 1 1 311.385 3.307 20 5 DGBDMO COc1ccc(C[N@@H+](C)CCOc2ccccc2[N+](=O)[O-])cc1 ZINC000051317410 400700107 /nfs/dbraw/zinc/70/01/07/400700107.db2.gz MPPXNAQBKZASJU-UHFFFAOYSA-N 1 1 316.357 3.114 20 5 DGBDMO C[C@@H](O)C[N@@H+](CCc1ccc([N+](=O)[O-])cc1)C1CCCCC1 ZINC000170691673 400769506 /nfs/dbraw/zinc/76/95/06/400769506.db2.gz BRUKVULCILNTHN-CQSZACIVSA-N 1 1 306.406 3.153 20 5 DGBDMO O=[N+]([O-])c1cc(F)ccc1NCC[N@@H+]1CCc2sccc2C1 ZINC000053580163 400792275 /nfs/dbraw/zinc/79/22/75/400792275.db2.gz HMBBWAFBOUKAHC-UHFFFAOYSA-N 1 1 321.377 3.266 20 5 DGBDMO O=[N+]([O-])c1cc(F)ccc1NCC[N@H+]1CCc2sccc2C1 ZINC000053580163 400792280 /nfs/dbraw/zinc/79/22/80/400792280.db2.gz HMBBWAFBOUKAHC-UHFFFAOYSA-N 1 1 321.377 3.266 20 5 DGBDMO O=[N+]([O-])c1ncccc1NC[C@H]1CCC[N@H+]1C1CCCCC1 ZINC000619549327 400865084 /nfs/dbraw/zinc/86/50/84/400865084.db2.gz UQAIPZBAJPERTB-CQSZACIVSA-N 1 1 304.394 3.199 20 5 DGBDMO O=[N+]([O-])c1ccccc1OCC[N@H+]1CCC[C@@H](OC2CCC2)C1 ZINC000594026514 400952061 /nfs/dbraw/zinc/95/20/61/400952061.db2.gz LCPUZJWETDSULQ-OAHLLOKOSA-N 1 1 320.389 3.007 20 5 DGBDMO C[C@@H](NC[C@H]1CC[N@@H+]1C1CCCC1)c1cccc([N+](=O)[O-])c1 ZINC000599073955 400952219 /nfs/dbraw/zinc/95/22/19/400952219.db2.gz ODQQIYYFMPAQIX-CXAGYDPISA-N 1 1 303.406 3.262 20 5 DGBDMO Cc1ccc(CNC[C@H]2CC[N@@H+]2C2CCCCC2)cc1[N+](=O)[O-] ZINC000598991773 400922356 /nfs/dbraw/zinc/92/23/56/400922356.db2.gz HGZAVYQTXNJOEX-QGZVFWFLSA-N 1 1 317.433 3.400 20 5 DGBDMO Cc1ccc(CNC[C@H]2CC[N@H+]2C2CCCCC2)cc1[N+](=O)[O-] ZINC000598991773 400922360 /nfs/dbraw/zinc/92/23/60/400922360.db2.gz HGZAVYQTXNJOEX-QGZVFWFLSA-N 1 1 317.433 3.400 20 5 DGBDMO O=[N+]([O-])c1ccc(CNC[C@H]2CC[N@H+]2C2CCCCC2)c(F)c1 ZINC000598992076 400923215 /nfs/dbraw/zinc/92/32/15/400923215.db2.gz LAKFPBJKROWCMV-MRXNPFEDSA-N 1 1 321.396 3.231 20 5 DGBDMO O=[N+]([O-])c1ccc(C[NH2+]C[C@H]2CCN2C2CCCCC2)c(F)c1 ZINC000598992076 400923220 /nfs/dbraw/zinc/92/32/20/400923220.db2.gz LAKFPBJKROWCMV-MRXNPFEDSA-N 1 1 321.396 3.231 20 5 DGBDMO O=[N+]([O-])c1ccc(CNC[C@H]2CC[N@H+]2C2CCCC2)c(Cl)c1 ZINC000598998679 400924560 /nfs/dbraw/zinc/92/45/60/400924560.db2.gz UHMLOOMXPDETDM-OAHLLOKOSA-N 1 1 323.824 3.355 20 5 DGBDMO O=[N+]([O-])c1ccc(C[NH2+]C[C@H]2CCN2C2CCCC2)c(Cl)c1 ZINC000598998679 400924563 /nfs/dbraw/zinc/92/45/63/400924563.db2.gz UHMLOOMXPDETDM-OAHLLOKOSA-N 1 1 323.824 3.355 20 5 DGBDMO CC(C)[N@H+]1CC[C@@H](Nc2ccc3cnccc3c2[N+](=O)[O-])C1 ZINC000599031608 400933008 /nfs/dbraw/zinc/93/30/08/400933008.db2.gz GIYKOUNAYLXSIM-CYBMUJFWSA-N 1 1 300.362 3.038 20 5 DGBDMO COCc1cc([N+](=O)[O-])ccc1NC[C@@H]1CC[N@H+]1C1CCCC1 ZINC000599166470 400983750 /nfs/dbraw/zinc/98/37/50/400983750.db2.gz WFZWDFMARJSNBB-INIZCTEOSA-N 1 1 319.405 3.170 20 5 DGBDMO C[C@@H]1C[C@H]1C[N@@H+](Cc1ccccc1[N+](=O)[O-])[C@H]1CC[C@H](O)CC1 ZINC000599444467 401051484 /nfs/dbraw/zinc/05/14/84/401051484.db2.gz XFXRSRLVPVSLPG-XLNGHYISSA-N 1 1 318.417 3.356 20 5 DGBDMO C[C@@H]1C[N@@H+](Cc2c(F)cccc2[N+](=O)[O-])C[C@H](C)C1(F)F ZINC000599514734 401065030 /nfs/dbraw/zinc/06/50/30/401065030.db2.gz ZERQWFFOBBZQEJ-AOOOYVTPSA-N 1 1 302.296 3.457 20 5 DGBDMO C[C@@H]1C[N@H+](Cc2c(F)cccc2[N+](=O)[O-])C[C@H](C)C1(F)F ZINC000599514734 401065031 /nfs/dbraw/zinc/06/50/31/401065031.db2.gz ZERQWFFOBBZQEJ-AOOOYVTPSA-N 1 1 302.296 3.457 20 5 DGBDMO O=[N+]([O-])c1ccc(OCC[N@H+]2CCCC(F)(F)CC2)cc1 ZINC000599550895 401074303 /nfs/dbraw/zinc/07/43/03/401074303.db2.gz DEMZTWHJVXEUNA-UHFFFAOYSA-N 1 1 300.305 3.095 20 5 DGBDMO COC(=O)[C@@H]1C[C@@H](C)[N@H+](Cc2cccc([N+](=O)[O-])c2C)[C@@H](C)C1 ZINC000599712334 401124143 /nfs/dbraw/zinc/12/41/43/401124143.db2.gz XCINHDHZMJEGIQ-JJLQDPRZSA-N 1 1 320.389 3.065 20 5 DGBDMO O=[N+]([O-])c1cc(Cl)cnc1N[C@@H]1CCC[N@H+]2CCCC[C@H]12 ZINC000594601233 401125627 /nfs/dbraw/zinc/12/56/27/401125627.db2.gz MTLOUWMXFPZBOE-VXGBXAGGSA-N 1 1 310.785 3.072 20 5 DGBDMO COc1cc(N[C@H]2CCC[N@H+]3CCCC[C@@H]23)c(F)cc1[N+](=O)[O-] ZINC000594601887 401127182 /nfs/dbraw/zinc/12/71/82/401127182.db2.gz PJEAWTDARIKTGQ-JSGCOSHPSA-N 1 1 323.368 3.171 20 5 DGBDMO COCc1cc([N+](=O)[O-])ccc1N[C@H]1CCC[N@H+]2CCCC[C@@H]12 ZINC000594603337 401127404 /nfs/dbraw/zinc/12/74/04/401127404.db2.gz UHZGFPZGZAXXFB-IRXDYDNUSA-N 1 1 319.405 3.170 20 5 DGBDMO CCOC(=O)CC[N@@H+](C/C=C/c1ccccc1[N+](=O)[O-])C(C)C ZINC000594610046 401132044 /nfs/dbraw/zinc/13/20/44/401132044.db2.gz DVHPAFSVONNZHD-VQHVLOKHSA-N 1 1 320.389 3.272 20 5 DGBDMO C[C@@H]1CC(F)(F)CC[N@H+]1CCOc1cccc([N+](=O)[O-])c1 ZINC000599624228 401093424 /nfs/dbraw/zinc/09/34/24/401093424.db2.gz UHLJACQMOUEVEJ-LLVKDONJSA-N 1 1 300.305 3.093 20 5 DGBDMO COc1ccc([N+](=O)[O-])cc1C[N@@H+]1CCC(F)(F)C[C@H]1C ZINC000599623438 401093759 /nfs/dbraw/zinc/09/37/59/401093759.db2.gz QFXZOFDZFPPPNT-SNVBAGLBSA-N 1 1 300.305 3.223 20 5 DGBDMO COc1ccc([N+](=O)[O-])cc1C[N@H+]1CCC(F)(F)C[C@H]1C ZINC000599623438 401093766 /nfs/dbraw/zinc/09/37/66/401093766.db2.gz QFXZOFDZFPPPNT-SNVBAGLBSA-N 1 1 300.305 3.223 20 5 DGBDMO COc1cc([N+](=O)[O-])ccc1C[N@@H+]1CCC(F)(F)C[C@H]1C ZINC000599629182 401095092 /nfs/dbraw/zinc/09/50/92/401095092.db2.gz XVFBLXRNURQOID-SNVBAGLBSA-N 1 1 300.305 3.223 20 5 DGBDMO COc1cc([N+](=O)[O-])ccc1C[N@H+]1CCC(F)(F)C[C@H]1C ZINC000599629182 401095098 /nfs/dbraw/zinc/09/50/98/401095098.db2.gz XVFBLXRNURQOID-SNVBAGLBSA-N 1 1 300.305 3.223 20 5 DGBDMO C/C(=C\c1cccc([N+](=O)[O-])c1)C[N@H+]1CCC[C@@H](CCO)C1 ZINC000615835323 401160668 /nfs/dbraw/zinc/16/06/68/401160668.db2.gz IWEBOUKARWVKDI-IPJDOKCGSA-N 1 1 304.390 3.093 20 5 DGBDMO COc1ccc(C[N@H+](C)Cc2ccccc2[N+](=O)[O-])cc1F ZINC000061783560 401163912 /nfs/dbraw/zinc/16/39/12/401163912.db2.gz QNWJINIKLYJKPC-UHFFFAOYSA-N 1 1 304.321 3.375 20 5 DGBDMO COc1ccc(C[N@@H+](C)Cc2ccccc2[N+](=O)[O-])cc1F ZINC000061783560 401163916 /nfs/dbraw/zinc/16/39/16/401163916.db2.gz QNWJINIKLYJKPC-UHFFFAOYSA-N 1 1 304.321 3.375 20 5 DGBDMO CC(C)(C)[N@H+]1CC[C@H](NC/C=C/c2ccccc2[N+](=O)[O-])C1 ZINC000594956583 401207351 /nfs/dbraw/zinc/20/73/51/401207351.db2.gz LPFZTRNHZSCSOH-VFADXPBXSA-N 1 1 303.406 3.070 20 5 DGBDMO CC(C)(C)N1CC[C@H]([NH2+]C/C=C/c2ccccc2[N+](=O)[O-])C1 ZINC000594956583 401207356 /nfs/dbraw/zinc/20/73/56/401207356.db2.gz LPFZTRNHZSCSOH-VFADXPBXSA-N 1 1 303.406 3.070 20 5 DGBDMO O=[N+]([O-])c1ccccc1CN[C@@H]1CC[N@H+](C2CCCCC2)C1 ZINC000594977320 401216007 /nfs/dbraw/zinc/21/60/07/401216007.db2.gz KBHBOIUHBTZYQV-OAHLLOKOSA-N 1 1 303.406 3.091 20 5 DGBDMO O=[N+]([O-])c1ccc(CN[C@H]2CC[N@H+](C3CCCCC3)C2)cc1 ZINC000594977604 401216504 /nfs/dbraw/zinc/21/65/04/401216504.db2.gz LUUCIHVQJDFTHX-HNNXBMFYSA-N 1 1 303.406 3.091 20 5 DGBDMO O=[N+]([O-])c1ccc(C[NH2+][C@H]2CCN(C3CCCCC3)C2)cc1 ZINC000594977604 401216506 /nfs/dbraw/zinc/21/65/06/401216506.db2.gz LUUCIHVQJDFTHX-HNNXBMFYSA-N 1 1 303.406 3.091 20 5 DGBDMO Cc1ccc(CN[C@H]2CC[N@H+](C3CCCCC3)C2)cc1[N+](=O)[O-] ZINC000594978686 401217662 /nfs/dbraw/zinc/21/76/62/401217662.db2.gz VKNZFAPZTSMKSP-INIZCTEOSA-N 1 1 317.433 3.400 20 5 DGBDMO Cc1ccc(C[NH2+][C@H]2CCN(C3CCCCC3)C2)cc1[N+](=O)[O-] ZINC000594978686 401217664 /nfs/dbraw/zinc/21/76/64/401217664.db2.gz VKNZFAPZTSMKSP-INIZCTEOSA-N 1 1 317.433 3.400 20 5 DGBDMO COc1cc([N+](=O)[O-])ccc1[C@H](C)[NH2+]Cc1cnc(C)s1 ZINC000595014429 401233113 /nfs/dbraw/zinc/23/31/13/401233113.db2.gz VRHUEAUDHGDLGG-VIFPVBQESA-N 1 1 307.375 3.219 20 5 DGBDMO CC[N@H+]1CCCC[C@H]1CN[C@H](C)c1ccc([N+](=O)[O-])cc1OC ZINC000595020078 401235742 /nfs/dbraw/zinc/23/57/42/401235742.db2.gz TVNIQOFMWAXOJI-HIFRSBDPSA-N 1 1 321.421 3.128 20 5 DGBDMO CCN1CCCC[C@H]1C[NH2+][C@H](C)c1ccc([N+](=O)[O-])cc1OC ZINC000595020078 401235748 /nfs/dbraw/zinc/23/57/48/401235748.db2.gz TVNIQOFMWAXOJI-HIFRSBDPSA-N 1 1 321.421 3.128 20 5 DGBDMO Cc1ccc([C@@H](C)N[C@@H](C)C[NH+]2CCCCC2)cc1[N+](=O)[O-] ZINC000122982164 292195786 /nfs/dbraw/zinc/19/57/86/292195786.db2.gz SGRIFYYTESFINX-LSDHHAIUSA-N 1 1 305.422 3.428 20 5 DGBDMO CC[C@@H]1CCC[N@H+]([C@H](C)C(=O)Nc2ccc([N+](=O)[O-])cc2)C1 ZINC000359025741 286218542 /nfs/dbraw/zinc/21/85/42/286218542.db2.gz KNDAKCYJLUCJCH-CHWSQXEVSA-N 1 1 305.378 3.044 20 5 DGBDMO Cn1cnc([N+](=O)[O-])c1C[N@H+]1CCC[C@@H]1CC1CCCCC1 ZINC000364313907 287011436 /nfs/dbraw/zinc/01/14/36/287011436.db2.gz CGFMLLJGQQLIMK-CQSZACIVSA-N 1 1 306.410 3.263 20 5 DGBDMO O=[N+]([O-])c1ccc(C[N@H+]2CCC3(CCCC3)C2)c([N+](=O)[O-])c1 ZINC000193940120 165334768 /nfs/dbraw/zinc/33/47/68/165334768.db2.gz CMERCQZQMDLKJY-UHFFFAOYSA-N 1 1 305.334 3.269 20 5 DGBDMO Cc1c(NC(=O)CC[N@@H+]2CCC[C@H](C)[C@H]2C)cccc1[N+](=O)[O-] ZINC000246970528 432187404 /nfs/dbraw/zinc/18/74/04/432187404.db2.gz RWCALBHFXNEFEL-GXTWGEPZSA-N 1 1 319.405 3.352 20 5 DGBDMO C[C@H]1CCC[N@@H+](Cc2nnc(-c3ccc([N+](=O)[O-])cc3)o2)[C@H]1C ZINC000246947303 432183001 /nfs/dbraw/zinc/18/30/01/432183001.db2.gz QZWUJVGIROXAEE-RYUDHWBXSA-N 1 1 316.361 3.265 20 5 DGBDMO CC(C)c1ccc(C[N@@H+](C)C[C@H]2CCC[C@H]2O)cc1[N+](=O)[O-] ZINC000247239951 432214658 /nfs/dbraw/zinc/21/46/58/432214658.db2.gz WSUWIYWDBGPOSP-RHSMWYFYSA-N 1 1 306.406 3.311 20 5 DGBDMO CCC[N@@H+]1CC[C@H](CN[C@@H](CC)c2cccc([N+](=O)[O-])c2)C1 ZINC000151127160 432222482 /nfs/dbraw/zinc/22/24/82/432222482.db2.gz SRMFLWRBHMRNAF-PBHICJAKSA-N 1 1 305.422 3.367 20 5 DGBDMO CCC[N@H+]1CC[C@H](CN[C@@H](CC)c2cccc([N+](=O)[O-])c2)C1 ZINC000151127160 432222484 /nfs/dbraw/zinc/22/24/84/432222484.db2.gz SRMFLWRBHMRNAF-PBHICJAKSA-N 1 1 305.422 3.367 20 5 DGBDMO Cc1ccc([C@@H](C)[NH2+]Cc2c(Cl)cnn2C)cc1[N+](=O)[O-] ZINC000132007143 196218144 /nfs/dbraw/zinc/21/81/44/196218144.db2.gz WKXKMFKFFOJMTB-SNVBAGLBSA-N 1 1 308.769 3.141 20 5 DGBDMO Cc1cc(C)c([N+](=O)[O-])cc1NC(=O)[C@@H](C)[N@@H+]1[C@H](C)CC[C@@H]1C ZINC000413030411 230115439 /nfs/dbraw/zinc/11/54/39/230115439.db2.gz VGWYNWYUTAUUGS-HZSPNIEDSA-N 1 1 319.405 3.411 20 5 DGBDMO C[C@@H]1C[C@H](Nc2nccc3ccc([N+](=O)[O-])cc32)CC[N@H+]1C ZINC000413155924 230141466 /nfs/dbraw/zinc/14/14/66/230141466.db2.gz DGLSXEGIYUEDBE-DGCLKSJQSA-N 1 1 300.362 3.038 20 5 DGBDMO COc1ccc([N+](=O)[O-])cc1Cn1c[nH+]c2c1C[C@H](C)[C@@H](C)C2 ZINC000323944337 263905314 /nfs/dbraw/zinc/90/53/14/263905314.db2.gz BFRCGAWLCWPEHN-RYUDHWBXSA-N 1 1 315.373 3.219 20 5 DGBDMO COc1cc(C[N@H+]2C[C@@H](C)CC(C)(C)C2)c([N+](=O)[O-])cc1OC ZINC000346347654 264015509 /nfs/dbraw/zinc/01/55/09/264015509.db2.gz YJRBXFQJGJGWRD-LBPRGKRZSA-N 1 1 322.405 3.480 20 5 DGBDMO C[C@@H]([NH3+])[C@@H]1CCN(Cc2ccc(-c3ccc([N+](=O)[O-])cc3)o2)C1 ZINC000346692955 264080818 /nfs/dbraw/zinc/08/08/18/264080818.db2.gz KACPPNIGXFBDAO-TZMCWYRMSA-N 1 1 315.373 3.024 20 5 DGBDMO C[C@H](CO)[N@@H+](Cc1c(Cl)cccc1[N+](=O)[O-])C1CCCC1 ZINC000347174428 264169746 /nfs/dbraw/zinc/16/97/46/264169746.db2.gz UFSUKDXDZREUPE-LLVKDONJSA-N 1 1 312.797 3.374 20 5 DGBDMO CC[C@H](CO)[N@@H+](Cc1ccccc1)Cc1ccccc1[N+](=O)[O-] ZINC000347347729 264202676 /nfs/dbraw/zinc/20/26/76/264202676.db2.gz NZZVLNSQIYEZFU-QGZVFWFLSA-N 1 1 314.385 3.368 20 5 DGBDMO COC(=O)C[C@H]1CCC[N@H+]1C/C(C)=C/c1cccc([N+](=O)[O-])c1 ZINC000347356943 264205121 /nfs/dbraw/zinc/20/51/21/264205121.db2.gz DKWOSUDZSPACBD-BMQCOBNYSA-N 1 1 318.373 3.026 20 5 DGBDMO CC[N@@H+](C/C(C)=C/c1cccc([N+](=O)[O-])c1)Cc1cnn(C)c1 ZINC000347360118 264206256 /nfs/dbraw/zinc/20/62/56/264206256.db2.gz OIYNATHOKCYJSY-RIYZIHGNSA-N 1 1 314.389 3.254 20 5 DGBDMO Cc1cc([N+](=O)[O-])ccc1NC(=O)C[N@@H+]1CCCC2(CCC2)C1 ZINC000348172571 264357372 /nfs/dbraw/zinc/35/73/72/264357372.db2.gz YUOUQVVUMUOSAE-UHFFFAOYSA-N 1 1 317.389 3.108 20 5 DGBDMO Cc1cc([N+](=O)[O-])ccc1NC(=O)C[N@H+]1CCCC2(CCC2)C1 ZINC000348172571 264357373 /nfs/dbraw/zinc/35/73/73/264357373.db2.gz YUOUQVVUMUOSAE-UHFFFAOYSA-N 1 1 317.389 3.108 20 5 DGBDMO CCC[N@@H+](CC)C[C@@H](C)NC(=O)Nc1cc([N+](=O)[O-])ccc1C ZINC000352393117 265031265 /nfs/dbraw/zinc/03/12/65/265031265.db2.gz YQLAUXNROXWJCF-CYBMUJFWSA-N 1 1 322.409 3.145 20 5 DGBDMO C[N@H+](CCc1ccccc1[N+](=O)[O-])Cc1nc2ccccc2[nH]1 ZINC000352570592 265092113 /nfs/dbraw/zinc/09/21/13/265092113.db2.gz JIQGXMKWDFQANO-UHFFFAOYSA-N 1 1 310.357 3.146 20 5 DGBDMO C[N@@H+](CCc1ccccc1[N+](=O)[O-])Cc1nc2ccccc2[nH]1 ZINC000352570592 265092117 /nfs/dbraw/zinc/09/21/17/265092117.db2.gz JIQGXMKWDFQANO-UHFFFAOYSA-N 1 1 310.357 3.146 20 5 DGBDMO CC[C@@H]1CCC[N@H+]1Cc1cn(C)nc1-c1ccc([N+](=O)[O-])cc1 ZINC000352652258 265116622 /nfs/dbraw/zinc/11/66/22/265116622.db2.gz MOZZWEALSLUAIY-OAHLLOKOSA-N 1 1 314.389 3.370 20 5 DGBDMO C[N@H+](CCOc1ccccc1)Cc1ccc([N+](=O)[O-])cc1F ZINC000352730957 265143395 /nfs/dbraw/zinc/14/33/95/265143395.db2.gz LICDCFUXYUSQMA-UHFFFAOYSA-N 1 1 304.321 3.245 20 5 DGBDMO C[N@@H+](CCOc1ccccc1)Cc1ccc([N+](=O)[O-])cc1F ZINC000352730957 265143396 /nfs/dbraw/zinc/14/33/96/265143396.db2.gz LICDCFUXYUSQMA-UHFFFAOYSA-N 1 1 304.321 3.245 20 5 DGBDMO C[C@@H](O)C[C@H]1CCCCC[N@H+]1Cc1c(F)cccc1[N+](=O)[O-] ZINC000352872798 265209231 /nfs/dbraw/zinc/20/92/31/265209231.db2.gz FPAFTFMLJAHTCP-CHWSQXEVSA-N 1 1 310.369 3.249 20 5 DGBDMO CCC[N@H+](CCN1CCCC1)Cc1cccc([N+](=O)[O-])c1C ZINC000352883276 265213738 /nfs/dbraw/zinc/21/37/38/265213738.db2.gz JFJAOJPCRQBXPH-UHFFFAOYSA-N 1 1 305.422 3.211 20 5 DGBDMO CCC[N@@H+](CCN1CCCC1)Cc1cccc([N+](=O)[O-])c1C ZINC000352883276 265213741 /nfs/dbraw/zinc/21/37/41/265213741.db2.gz JFJAOJPCRQBXPH-UHFFFAOYSA-N 1 1 305.422 3.211 20 5 DGBDMO Cn1ccnc1[C@H]([NH2+]CCC(C)(C)C)c1cccc([N+](=O)[O-])c1 ZINC000353382832 265409779 /nfs/dbraw/zinc/40/97/79/265409779.db2.gz CTEDGHOOKWMJDH-OAHLLOKOSA-N 1 1 316.405 3.444 20 5 DGBDMO C[C@@H]1CC[N@@H+](Cc2ccc(-c3cccc([N+](=O)[O-])c3)o2)[C@@H]1CO ZINC000191175328 432230932 /nfs/dbraw/zinc/23/09/32/432230932.db2.gz QOKWCGSMJHZUTK-MLGOLLRUSA-N 1 1 316.357 3.058 20 5 DGBDMO C[C@H](Cc1ccc(Cl)cc1)[N@H+](C)Cc1c([N+](=O)[O-])ncn1C ZINC000355330427 266040865 /nfs/dbraw/zinc/04/08/65/266040865.db2.gz CUPZFJLLCFHZSG-LLVKDONJSA-N 1 1 322.796 3.045 20 5 DGBDMO C[C@H](Cc1ccc(Cl)cc1)[N@@H+](C)Cc1c([N+](=O)[O-])ncn1C ZINC000355330427 266040866 /nfs/dbraw/zinc/04/08/66/266040866.db2.gz CUPZFJLLCFHZSG-LLVKDONJSA-N 1 1 322.796 3.045 20 5 DGBDMO Cc1ccc(C(C)(C)C[N@@H+](C)Cc2c([N+](=O)[O-])ncn2C)cc1 ZINC000355336662 266042724 /nfs/dbraw/zinc/04/27/24/266042724.db2.gz DIYKMMRODSRCRK-UHFFFAOYSA-N 1 1 316.405 3.046 20 5 DGBDMO Cc1ccc(C(C)(C)C[N@H+](C)Cc2c([N+](=O)[O-])ncn2C)cc1 ZINC000355336662 266042726 /nfs/dbraw/zinc/04/27/26/266042726.db2.gz DIYKMMRODSRCRK-UHFFFAOYSA-N 1 1 316.405 3.046 20 5 DGBDMO Cc1cc(C(=O)Nc2cc(C)c3[nH+]ccn3c2)cc([N+](=O)[O-])c1 ZINC000355478064 266086941 /nfs/dbraw/zinc/08/69/41/266086941.db2.gz UZWJAWHKAUOZKD-UHFFFAOYSA-N 1 1 310.313 3.112 20 5 DGBDMO C[C@@H]1CCC[N@@H+](CCNc2ccnc3c2cccc3[N+](=O)[O-])C1 ZINC000432350087 533688028 /nfs/dbraw/zinc/68/80/28/533688028.db2.gz XIEWHMUBOQITTB-CYBMUJFWSA-N 1 1 314.389 3.287 20 5 DGBDMO O=[N+]([O-])c1ccc(C[NH+]2CCC(n3cccn3)CC2)c(Cl)c1 ZINC000367828002 271081711 /nfs/dbraw/zinc/08/17/11/271081711.db2.gz SFXKCKKGNDDVGE-UHFFFAOYSA-N 1 1 320.780 3.282 20 5 DGBDMO COC[C@H]1CCCC[N@@H+](C/C=C/c2ccccc2[N+](=O)[O-])C1 ZINC000368658480 271188271 /nfs/dbraw/zinc/18/82/71/271188271.db2.gz JHQJXCWZMSMKFV-PPYMECGQSA-N 1 1 304.390 3.357 20 5 DGBDMO C[C@H](c1ccccc1[N+](=O)[O-])[NH+]1CCC(O)(C(F)(F)F)CC1 ZINC000270502329 432253309 /nfs/dbraw/zinc/25/33/09/432253309.db2.gz BWXZCXPKDBXZAX-SNVBAGLBSA-N 1 1 318.295 3.045 20 5 DGBDMO C[C@@H](CN[C@@H]1CCCc2ccc([N+](=O)[O-])cc21)C[NH+]1CCCC1 ZINC000192698693 274225439 /nfs/dbraw/zinc/22/54/39/274225439.db2.gz MVIXSWZQSGJTNX-KBXCAEBGSA-N 1 1 317.433 3.294 20 5 DGBDMO O=[N+]([O-])c1ccc2ccnc(N3CCC(c4[nH]cc[nH+]4)CC3)c2c1 ZINC000413104733 275038819 /nfs/dbraw/zinc/03/88/19/275038819.db2.gz MONNZHKJPWQYOA-UHFFFAOYSA-N 1 1 323.356 3.250 20 5 DGBDMO O=[N+]([O-])c1ccccc1C[N@@H+]1CCO[C@@]2(CCc3ccccc32)C1 ZINC000159452324 275039846 /nfs/dbraw/zinc/03/98/46/275039846.db2.gz ZXHYIFAWMQQRJD-IBGZPJMESA-N 1 1 324.380 3.269 20 5 DGBDMO O=[N+]([O-])c1ccccc1C[N@H+]1CCO[C@@]2(CCc3ccccc32)C1 ZINC000159452324 275039847 /nfs/dbraw/zinc/03/98/47/275039847.db2.gz ZXHYIFAWMQQRJD-IBGZPJMESA-N 1 1 324.380 3.269 20 5 DGBDMO O=[N+]([O-])c1ccn(CC[N@H+]2CCC[C@H](c3ccccc3)CC2)n1 ZINC000176227787 275040444 /nfs/dbraw/zinc/04/04/44/275040444.db2.gz YACOMZSOXWQLLO-INIZCTEOSA-N 1 1 314.389 3.061 20 5 DGBDMO C[N@H+]1CCC[C@@H]1CNC(=O)c1cc2ccccc2c2cccnc12 ZINC000194701044 277064410 /nfs/dbraw/zinc/06/44/10/277064410.db2.gz ZBVCQGQNZBSGNQ-OAHLLOKOSA-N 1 1 319.408 3.212 20 5 DGBDMO CC(C)c1ccc(C[N@@H+]2CCCO[C@H](CF)C2)cc1[N+](=O)[O-] ZINC000414474451 278035684 /nfs/dbraw/zinc/03/56/84/278035684.db2.gz DEPGPZIDHSJWNY-CQSZACIVSA-N 1 1 310.369 3.279 20 5 DGBDMO CC(C)c1ccc(C[N@H+]2CCCO[C@H](CF)C2)cc1[N+](=O)[O-] ZINC000414474451 278035686 /nfs/dbraw/zinc/03/56/86/278035686.db2.gz DEPGPZIDHSJWNY-CQSZACIVSA-N 1 1 310.369 3.279 20 5 DGBDMO C[C@@H](Cc1ccccc1[N+](=O)[O-])[NH2+]C1CCN(C2CCC2)CC1 ZINC000449096287 278298551 /nfs/dbraw/zinc/29/85/51/278298551.db2.gz GEIKLDCSPRHAMV-AWEZNQCLSA-N 1 1 317.433 3.132 20 5 DGBDMO CCCO[C@@H]1CCC[N@@H+](CCc2ccc([N+](=O)[O-])cc2)CC1 ZINC000108398823 431140684 /nfs/dbraw/zinc/14/06/84/431140684.db2.gz XCICXFPUTLFTAW-QGZVFWFLSA-N 1 1 306.406 3.418 20 5 DGBDMO C[C@H](CCNc1ncc([N+](=O)[O-])s1)[N@@H+](C)Cc1ccccc1 ZINC000192474439 279267983 /nfs/dbraw/zinc/26/79/83/279267983.db2.gz GQJMEOFTDKAITE-GFCCVEGCSA-N 1 1 320.418 3.374 20 5 DGBDMO CCCO[C@H]1CCC[N@@H+](CCOc2ccc([N+](=O)[O-])cc2)CC1 ZINC000108396011 431140116 /nfs/dbraw/zinc/14/01/16/431140116.db2.gz RAKWKTCOJAOSTQ-INIZCTEOSA-N 1 1 322.405 3.255 20 5 DGBDMO O=[N+]([O-])c1ccccc1C[N@H+](CCO)[C@H]1CCc2ccccc21 ZINC000074311514 431411552 /nfs/dbraw/zinc/41/15/52/431411552.db2.gz FGLQXBQUWHVFLL-SFHVURJKSA-N 1 1 312.369 3.077 20 5 DGBDMO O=[N+]([O-])c1cc(Cl)ccc1C[N@@H+]1CCC[C@H](c2cc[nH]n2)C1 ZINC000116273548 431498339 /nfs/dbraw/zinc/49/83/39/431498339.db2.gz PXNXFYFNJGKBOD-NSHDSACASA-N 1 1 320.780 3.351 20 5 DGBDMO O=[N+]([O-])c1cc(Cl)ccc1C[N@H+]1CCC[C@H](c2cc[nH]n2)C1 ZINC000116273548 431498344 /nfs/dbraw/zinc/49/83/44/431498344.db2.gz PXNXFYFNJGKBOD-NSHDSACASA-N 1 1 320.780 3.351 20 5 DGBDMO O=C1CCC(C[N@H+](Cc2ccccc2[N+](=O)[O-])C2CC2)CC1 ZINC000450603921 280249516 /nfs/dbraw/zinc/24/95/16/280249516.db2.gz VDHZEUFITLENEG-UHFFFAOYSA-N 1 1 302.374 3.319 20 5 DGBDMO C[C@@H]1C[C@@H](C)CC[N@H+]1Cc1cc([N+](=O)[O-])cc2c1OCOC2 ZINC000077318945 431581509 /nfs/dbraw/zinc/58/15/09/431581509.db2.gz VNWNGDUMCRATMS-NWDGAFQWSA-N 1 1 306.362 3.082 20 5 DGBDMO Cc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@H+](C(C)C)C1CCC1 ZINC000077358139 431588857 /nfs/dbraw/zinc/58/88/57/431588857.db2.gz QJKYVTVSMLWTJB-UHFFFAOYSA-N 1 1 319.405 3.495 20 5 DGBDMO COc1cccc(C[N@@H+](C)CCc2ccc([N+](=O)[O-])cc2)c1 ZINC000028394303 431705119 /nfs/dbraw/zinc/70/51/19/431705119.db2.gz QRVILPYNGWVVFU-UHFFFAOYSA-N 1 1 300.358 3.278 20 5 DGBDMO CC[C@H]1CCC[N@@H+](CCC(=O)Nc2ccc([N+](=O)[O-])cc2)C1 ZINC000030144618 431731919 /nfs/dbraw/zinc/73/19/19/431731919.db2.gz SIBSBZIPDDCTLP-ZDUSSCGKSA-N 1 1 305.378 3.045 20 5 DGBDMO Cc1cc(NC[C@@H](C2CC2)[NH+](C)C)c2cc([N+](=O)[O-])ccc2n1 ZINC000302147771 280626657 /nfs/dbraw/zinc/62/66/57/280626657.db2.gz GZZYRHIDIBUZJY-KRWDZBQOSA-N 1 1 314.389 3.204 20 5 DGBDMO Cc1ccc([N+](=O)[O-])cc1NC(=O)C[N@H+]([C@H](C)C1CC1)C1CC1 ZINC000031654224 431762579 /nfs/dbraw/zinc/76/25/79/431762579.db2.gz UQGCHCYTGSFZHD-GFCCVEGCSA-N 1 1 317.389 3.105 20 5 DGBDMO C[N@H+](Cc1cc([N+](=O)[O-])cc2c1OCOC2)CC1CCCCC1 ZINC000029523606 431723471 /nfs/dbraw/zinc/72/34/71/431723471.db2.gz BXJFQIAQOJYJJE-UHFFFAOYSA-N 1 1 320.389 3.473 20 5 DGBDMO CN(C)c1ccccc1C[N@@H+]1CCc2ccc([N+](=O)[O-])cc2C1 ZINC000088608087 431858503 /nfs/dbraw/zinc/85/85/03/431858503.db2.gz LUADDIGCUWIOBN-UHFFFAOYSA-N 1 1 311.385 3.219 20 5 DGBDMO CN(C)c1ccccc1C[N@H+]1CCc2ccc([N+](=O)[O-])cc2C1 ZINC000088608087 431858505 /nfs/dbraw/zinc/85/85/05/431858505.db2.gz LUADDIGCUWIOBN-UHFFFAOYSA-N 1 1 311.385 3.219 20 5 DGBDMO C[C@H](O)C[C@@H]1CCCC[N@H+]1Cc1cc(Cl)ccc1[N+](=O)[O-] ZINC000123757523 431873903 /nfs/dbraw/zinc/87/39/03/431873903.db2.gz HQDNNKDBVVZPJO-FZMZJTMJSA-N 1 1 312.797 3.374 20 5 DGBDMO COc1ccc(C[N@@H+](C)CCc2ccc([N+](=O)[O-])cc2)cc1 ZINC000034545354 431819112 /nfs/dbraw/zinc/81/91/12/431819112.db2.gz HGNJSYXHFBKNGR-UHFFFAOYSA-N 1 1 300.358 3.278 20 5 DGBDMO Cc1c(NC(=O)CC[N@@H+]2CC[C@@H](C)[C@H](C)C2)cccc1[N+](=O)[O-] ZINC000122508783 431835022 /nfs/dbraw/zinc/83/50/22/431835022.db2.gz NKFANDNQQBTCIX-CHWSQXEVSA-N 1 1 319.405 3.210 20 5 DGBDMO C[C@@H]1CCC[C@@H](C)[N@@H+](CC(=O)N(C)c2ccc([N+](=O)[O-])cc2)C1 ZINC000125228594 431918665 /nfs/dbraw/zinc/91/86/65/431918665.db2.gz VREGSINDIHMTIR-ZIAGYGMSSA-N 1 1 319.405 3.068 20 5 DGBDMO CCCc1[nH+]ccn1Cc1coc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000089692216 431874674 /nfs/dbraw/zinc/87/46/74/431874674.db2.gz NGUXZEMRXIQWMF-UHFFFAOYSA-N 1 1 312.329 3.447 20 5 DGBDMO CC(C)[N@@H+](C)Cc1ccccc1CNc1ccc([N+](=O)[O-])cn1 ZINC000052243844 431955451 /nfs/dbraw/zinc/95/54/51/431955451.db2.gz MGSBSUMYBBRCBS-UHFFFAOYSA-N 1 1 314.389 3.442 20 5 DGBDMO Cc1ccc([N+](=O)[O-])cc1[C@H](C)[N@H+]1C[C@@H]2CC[C@@H](O)C[C@@H]2C1 ZINC000332198029 281022774 /nfs/dbraw/zinc/02/27/74/281022774.db2.gz HOEBVSRXNFYQJE-TTZDDIAXSA-N 1 1 304.390 3.057 20 5 DGBDMO CCOc1ncccc1C[NH2+][C@H](C)c1cccc([N+](=O)[O-])c1 ZINC000173313896 432271924 /nfs/dbraw/zinc/27/19/24/432271924.db2.gz OPGHXIACVPXAGY-GFCCVEGCSA-N 1 1 301.346 3.239 20 5 DGBDMO C[C@H](NC[C@H](C)[NH+]1CCC(C)CC1)c1cccc([N+](=O)[O-])c1 ZINC000173363378 432273265 /nfs/dbraw/zinc/27/32/65/432273265.db2.gz AXWJNLZZKHKKOM-GJZGRUSLSA-N 1 1 305.422 3.366 20 5 DGBDMO CCC[N@@H+](CC)[C@@H](C)C(=O)Nc1ccc([N+](=O)[O-])cc1Cl ZINC000270674478 432274558 /nfs/dbraw/zinc/27/45/58/432274558.db2.gz BCQSBNRZBQPAPV-JTQLQIEISA-N 1 1 313.785 3.307 20 5 DGBDMO O=[N+]([O-])c1ccc(CN(c2[nH+]cnc3[nH]ccc32)C2CC2)cc1 ZINC000270752673 432285919 /nfs/dbraw/zinc/28/59/19/432285919.db2.gz KHYQDSLLURUGTF-UHFFFAOYSA-N 1 1 309.329 3.035 20 5 DGBDMO O=[N+]([O-])c1ccc(C[N@H+]2CC[C@@H]3OCCC[C@H]3C2)c(Cl)c1 ZINC000248436252 432289872 /nfs/dbraw/zinc/28/98/72/432289872.db2.gz RZGGCDHYACOTKB-WFASDCNBSA-N 1 1 310.781 3.249 20 5 DGBDMO CC[C@H](C)C[N@@H+](C)CCC(=O)Nc1cc([N+](=O)[O-])ccc1F ZINC000128604549 431997171 /nfs/dbraw/zinc/99/71/71/431997171.db2.gz BRXLACUKGKWFMF-NSHDSACASA-N 1 1 311.357 3.040 20 5 DGBDMO CC[C@H](CN[C@H](C)c1ccc(C)c([N+](=O)[O-])c1)[NH+]1CCCC1 ZINC000151678042 432265826 /nfs/dbraw/zinc/26/58/26/432265826.db2.gz OCSVVHXOPSKDBI-GDBMZVCRSA-N 1 1 305.422 3.428 20 5 DGBDMO COCc1ccc(C[N@H+](Cc2cccc([N+](=O)[O-])c2)C2CC2)o1 ZINC000271057066 432322775 /nfs/dbraw/zinc/32/27/75/432322775.db2.gz DIHYIDCQXASKNZ-UHFFFAOYSA-N 1 1 316.357 3.499 20 5 DGBDMO COCc1ccc(C[N@@H+](Cc2cccc([N+](=O)[O-])c2)C2CC2)o1 ZINC000271057066 432322782 /nfs/dbraw/zinc/32/27/82/432322782.db2.gz DIHYIDCQXASKNZ-UHFFFAOYSA-N 1 1 316.357 3.499 20 5 DGBDMO O=[N+]([O-])c1cc(C[N@H+]2CCC3(CCCC3)C2)c2c(c1)COCO2 ZINC000174275768 432332700 /nfs/dbraw/zinc/33/27/00/432332700.db2.gz MEDJYRUKPBZCCZ-UHFFFAOYSA-N 1 1 318.373 3.227 20 5 DGBDMO O=[N+]([O-])c1ccc2c(c1)[C@H]([NH2+]C[C@H]1CC[N@H+](C3CC3)C1)CCC2 ZINC000192657962 432397067 /nfs/dbraw/zinc/39/70/67/432397067.db2.gz QWAJBGVOHCTSDF-FZKQIMNGSA-N 1 1 315.417 3.046 20 5 DGBDMO O=[N+]([O-])c1ccc2c(c1)[C@H](NC[C@H]1CC[N@@H+](C3CC3)C1)CCC2 ZINC000192657962 432397072 /nfs/dbraw/zinc/39/70/72/432397072.db2.gz QWAJBGVOHCTSDF-FZKQIMNGSA-N 1 1 315.417 3.046 20 5 DGBDMO O=[N+]([O-])c1ccc2c(c1)[C@H](NC[C@H]1CC[N@H+](C3CC3)C1)CCC2 ZINC000192657962 432397076 /nfs/dbraw/zinc/39/70/76/432397076.db2.gz QWAJBGVOHCTSDF-FZKQIMNGSA-N 1 1 315.417 3.046 20 5 DGBDMO O=[N+]([O-])c1ccc2c(c1)[C@H]([NH2+]C[C@H]1CCN(C3CC3)C1)CCC2 ZINC000192657962 432397079 /nfs/dbraw/zinc/39/70/79/432397079.db2.gz QWAJBGVOHCTSDF-FZKQIMNGSA-N 1 1 315.417 3.046 20 5 DGBDMO Cc1c(CN[C@@H]2CCC[C@H]2[C@@H]2CCCC[NH2+]2)cccc1[N+](=O)[O-] ZINC000261812631 432453147 /nfs/dbraw/zinc/45/31/47/432453147.db2.gz GPGASGMXXKKPDE-YESZJQIVSA-N 1 1 317.433 3.304 20 5 DGBDMO C[C@@H]1C[N@@H+](C)[C@H](C)C[C@@H]1NCc1cc([N+](=O)[O-])ccc1Cl ZINC000271525446 432414598 /nfs/dbraw/zinc/41/45/98/432414598.db2.gz RCHAAZAQDUSULM-HFAKWTLXSA-N 1 1 311.813 3.067 20 5 DGBDMO C[C@H](CN[C@@H]1CCCc2ccc([N+](=O)[O-])cc21)[N@H+](C)C1CC1 ZINC000192833203 432418824 /nfs/dbraw/zinc/41/88/24/432418824.db2.gz ORSGQPGQOKAELZ-SJKOYZFVSA-N 1 1 303.406 3.045 20 5 DGBDMO C[C@H](CN[C@@H]1CCCc2ccc([N+](=O)[O-])cc21)[N@@H+](C)C1CC1 ZINC000192833203 432418827 /nfs/dbraw/zinc/41/88/27/432418827.db2.gz ORSGQPGQOKAELZ-SJKOYZFVSA-N 1 1 303.406 3.045 20 5 DGBDMO COC[C@H]([NH2+]Cc1cccc([N+](=O)[O-])c1C)c1ccc(C)o1 ZINC000184713414 432424658 /nfs/dbraw/zinc/42/46/58/432424658.db2.gz LIFHOMYWTATPHK-AWEZNQCLSA-N 1 1 304.346 3.282 20 5 DGBDMO O=[N+]([O-])c1ccccc1-c1ccc(C[N@H+](CCO)C2CC2)s1 ZINC000153606569 432424711 /nfs/dbraw/zinc/42/47/11/432424711.db2.gz LGBBRYYGMDYTJL-UHFFFAOYSA-N 1 1 318.398 3.280 20 5 DGBDMO O=[N+]([O-])c1cccc(C[N@H+](Cc2ccc(CO)cc2)C2CC2)c1 ZINC000272299361 432477995 /nfs/dbraw/zinc/47/79/95/432477995.db2.gz IMXNWHRIBNLPDG-UHFFFAOYSA-N 1 1 312.369 3.252 20 5 DGBDMO C[N@@H+](CCn1ccc([N+](=O)[O-])n1)Cc1cccc2ccccc21 ZINC000176210974 432500610 /nfs/dbraw/zinc/50/06/10/432500610.db2.gz YOBOIRUZTZGXRA-UHFFFAOYSA-N 1 1 310.357 3.077 20 5 DGBDMO COCC[C@H]([NH2+]Cc1ccc(C)c([N+](=O)[O-])c1)c1ccco1 ZINC000272533333 432520325 /nfs/dbraw/zinc/52/03/25/432520325.db2.gz KGJJBBPJPJXIIH-AWEZNQCLSA-N 1 1 304.346 3.364 20 5 DGBDMO Cc1ccc([C@H](C)[NH2+][C@@H](CCO)c2ccco2)cc1[N+](=O)[O-] ZINC000186531086 432605814 /nfs/dbraw/zinc/60/58/14/432605814.db2.gz KMWFWSZHMSOLJY-JSGCOSHPSA-N 1 1 304.346 3.271 20 5 DGBDMO COc1ccnc(C[NH2+][C@@H](C)c2ccc(C)c([N+](=O)[O-])c2)c1 ZINC000273226823 432568684 /nfs/dbraw/zinc/56/86/84/432568684.db2.gz VQVSMUUDOASNPV-LBPRGKRZSA-N 1 1 301.346 3.158 20 5 DGBDMO C[N@@H+](CC(=O)Nc1ccc([N+](=O)[O-])cc1Cl)CC(C)(C)C ZINC000263825865 432582306 /nfs/dbraw/zinc/58/23/06/432582306.db2.gz ZZMWDGBNOKDDOX-UHFFFAOYSA-N 1 1 313.785 3.165 20 5 DGBDMO CCn1cc(C2CC[NH+](Cc3csc([N+](=O)[O-])c3)CC2)cn1 ZINC000160469221 432723315 /nfs/dbraw/zinc/72/33/15/432723315.db2.gz CYKKEXHZPNPXDY-UHFFFAOYSA-N 1 1 320.418 3.252 20 5 DGBDMO C[C@H](c1ccccc1[N+](=O)[O-])[N@@H+]1CCC[C@H]1c1cnn(C)c1 ZINC000266534244 432761351 /nfs/dbraw/zinc/76/13/51/432761351.db2.gz NBSMBVKSDQAWQU-DOMZBBRYSA-N 1 1 300.362 3.226 20 5 DGBDMO C[C@H](c1ccccc1[N+](=O)[O-])[N@H+]1CCC[C@H]1c1cnn(C)c1 ZINC000266534244 432761357 /nfs/dbraw/zinc/76/13/57/432761357.db2.gz NBSMBVKSDQAWQU-DOMZBBRYSA-N 1 1 300.362 3.226 20 5 DGBDMO C[N@@H+](CCc1ccc([N+](=O)[O-])cc1)[C@@H](CCO)c1ccccc1 ZINC000266573653 432766543 /nfs/dbraw/zinc/76/65/43/432766543.db2.gz FHHUHHMFXZFOPM-SFHVURJKSA-N 1 1 314.385 3.193 20 5 DGBDMO Cc1c(C[N@H+](C)[C@H](CCO)c2ccccc2)cccc1[N+](=O)[O-] ZINC000266594417 432769546 /nfs/dbraw/zinc/76/95/46/432769546.db2.gz ODZQCWRHQFWJSH-GOSISDBHSA-N 1 1 314.385 3.459 20 5 DGBDMO CC(C)[N@H+]1CCCN(c2nc3ccccc3cc2[N+](=O)[O-])CC1 ZINC000276690339 432825018 /nfs/dbraw/zinc/82/50/18/432825018.db2.gz WBYMKYSJEWLLHM-UHFFFAOYSA-N 1 1 314.389 3.064 20 5 DGBDMO O=[N+]([O-])c1c(F)cccc1N1CC[C@H]2[C@H](CCC[N@H+]2C2CC2)C1 ZINC000161922890 432804810 /nfs/dbraw/zinc/80/48/10/432804810.db2.gz DABQEYTZVZITNE-DOMZBBRYSA-N 1 1 319.380 3.187 20 5 DGBDMO C[C@@H]1CC[N@@H+](Cc2nc(-c3ccc([N+](=O)[O-])cc3)no2)C[C@H]1C ZINC000245897136 432867939 /nfs/dbraw/zinc/86/79/39/432867939.db2.gz KNWATDMQGDDCBK-VXGBXAGGSA-N 1 1 316.361 3.123 20 5 DGBDMO C[C@@H]1CC[N@@H+](Cc2nc(-c3cccc([N+](=O)[O-])c3)no2)C[C@H]1C ZINC000245911092 432868819 /nfs/dbraw/zinc/86/88/19/432868819.db2.gz MMXDOJPTDYIMFV-VXGBXAGGSA-N 1 1 316.361 3.123 20 5 DGBDMO Cc1ccc([N+](=O)[O-])cc1[C@H](C)N1CC[C@H]2[C@@H](CCC[N@H+]2C)C1 ZINC000245535329 432839826 /nfs/dbraw/zinc/83/98/26/432839826.db2.gz WMBOBBCCUBPZRN-MPGHIAIKSA-N 1 1 317.433 3.380 20 5 DGBDMO C[C@H]1C[N@H+](C2CC2)C[C@H]1Nc1ccc([N+](=O)[O-])c2cnccc12 ZINC000268199315 432854431 /nfs/dbraw/zinc/85/44/31/432854431.db2.gz XHCFEOLMPILLCI-MEDUHNTESA-N 1 1 312.373 3.038 20 5 DGBDMO O=[N+]([O-])c1cccc(Cl)c1C[NH+]1CCC(c2cc[nH]n2)CC1 ZINC000163521443 432855677 /nfs/dbraw/zinc/85/56/77/432855677.db2.gz CKCBSZQSJVQHIJ-UHFFFAOYSA-N 1 1 320.780 3.351 20 5 DGBDMO CC[C@@H]1CC[C@@H](C)[N@H+]1CC(=O)Nc1c(C)cccc1[N+](=O)[O-] ZINC000330654989 432923185 /nfs/dbraw/zinc/92/31/85/432923185.db2.gz MHONSHHZTGGOTO-CHWSQXEVSA-N 1 1 305.378 3.105 20 5 DGBDMO CN(C(=O)C[N@H+]1CCC[C@H]1C(C)(C)C)c1ccc([N+](=O)[O-])cc1 ZINC000330622645 432920887 /nfs/dbraw/zinc/92/08/87/432920887.db2.gz OBMFWZJHAVFVLZ-HNNXBMFYSA-N 1 1 319.405 3.068 20 5 DGBDMO C[C@@H](c1ccccc1[N+](=O)[O-])[N@H+]1CCC[C@H](c2ccnn2C)C1 ZINC000332368589 433001339 /nfs/dbraw/zinc/00/13/39/433001339.db2.gz WJRGMENQKXGUAA-KBPBESRZSA-N 1 1 314.389 3.269 20 5 DGBDMO Cc1ccc2nc(C[NH2+]Cc3cccc([N+](=O)[O-])c3C)cn2c1 ZINC000341387396 433045221 /nfs/dbraw/zinc/04/52/21/433045221.db2.gz PHERRNZCUMOONO-UHFFFAOYSA-N 1 1 310.357 3.149 20 5 DGBDMO COCC[N@@H+](C)Cc1ccc(-c2ccccc2[N+](=O)[O-])s1 ZINC000349802584 433012215 /nfs/dbraw/zinc/01/22/15/433012215.db2.gz UVVYKPKFHJTVBB-UHFFFAOYSA-N 1 1 306.387 3.402 20 5 DGBDMO Cc1nc(NCCc2ccc(Cl)cc2[N+](=O)[O-])c(C)c(C)[nH+]1 ZINC000349905463 433033363 /nfs/dbraw/zinc/03/33/63/433033363.db2.gz SXPKLZQDRIFVSQ-UHFFFAOYSA-N 1 1 320.780 3.618 20 5 DGBDMO CC(C)CC[C@H](O)C[N@@H+](Cc1ccc([N+](=O)[O-])cc1)C1CC1 ZINC000361306747 433094298 /nfs/dbraw/zinc/09/42/98/433094298.db2.gz YDDLVFSUXSVBQJ-KRWDZBQOSA-N 1 1 306.406 3.356 20 5 DGBDMO CC[C@H]([NH2+]Cc1ncccc1OC)c1cccc([N+](=O)[O-])c1 ZINC000453382827 433138951 /nfs/dbraw/zinc/13/89/51/433138951.db2.gz ZQVUEKIQWAQMNX-AWEZNQCLSA-N 1 1 301.346 3.239 20 5 DGBDMO COC(=O)c1ccc([C@H](C)[NH2+][C@H](C)c2cccc([N+](=O)[O-])c2)o1 ZINC000341585777 433148802 /nfs/dbraw/zinc/14/88/02/433148802.db2.gz LIXPOEBPPMXWBW-MNOVXSKESA-N 1 1 318.329 3.386 20 5 DGBDMO Cc1ccc(C[N@@H+]2CCC[C@](CO)(C(C)C)C2)cc1[N+](=O)[O-] ZINC000354562223 433153052 /nfs/dbraw/zinc/15/30/52/433153052.db2.gz ILXWYUIECJFWRA-KRWDZBQOSA-N 1 1 306.406 3.134 20 5 DGBDMO Cc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@H+]1CCC(C)=C(C)C1 ZINC000280738375 433156820 /nfs/dbraw/zinc/15/68/20/433156820.db2.gz LZUHNHUPKKRMSD-UHFFFAOYSA-N 1 1 317.389 3.274 20 5 DGBDMO CCC[C@@H]([NH2+][C@H]1CCc2cn[nH]c2C1)c1cccc([N+](=O)[O-])c1 ZINC000374445203 433194165 /nfs/dbraw/zinc/19/41/65/433194165.db2.gz XVZDOTIBQPZWRK-GOEBONIOSA-N 1 1 314.389 3.306 20 5 DGBDMO C[N@@H+](Cc1nc2cc([N+](=O)[O-])ccc2[nH]1)[C@H]1CCC(C)(C)C1 ZINC000361471840 433194408 /nfs/dbraw/zinc/19/44/08/433194408.db2.gz VHIOJXWGOFWPCG-LBPRGKRZSA-N 1 1 302.378 3.482 20 5 DGBDMO CN(C)CC(C)(C)[NH2+]Cc1ccc(-c2cccc([N+](=O)[O-])c2)o1 ZINC000453600675 433230926 /nfs/dbraw/zinc/23/09/26/433230926.db2.gz RSDYKWFBJQNMFY-UHFFFAOYSA-N 1 1 317.389 3.285 20 5 DGBDMO O=[N+]([O-])c1cccc(C[NH+]2CCC(Oc3ccccn3)CC2)c1 ZINC000350616344 433234715 /nfs/dbraw/zinc/23/47/15/433234715.db2.gz QLVGBLGYFQCVJO-UHFFFAOYSA-N 1 1 313.357 3.033 20 5 DGBDMO CC(C)(C)OC(=O)[C@@]1(C)CC[N@@H+](Cc2ccc([N+](=O)[O-])cc2)C1 ZINC000453623010 433243640 /nfs/dbraw/zinc/24/36/40/433243640.db2.gz OKHBMTNXXIADIC-KRWDZBQOSA-N 1 1 320.389 3.149 20 5 DGBDMO O=[N+]([O-])c1ccc(C[N@H+]2CC[C@@H]([C@H]3CCOC3)C2)c(Cl)c1 ZINC000374715949 433262435 /nfs/dbraw/zinc/26/24/35/433262435.db2.gz OIKVDYFWUPLIAL-YPMHNXCESA-N 1 1 310.781 3.107 20 5 DGBDMO Cc1c(C[N@H+]2CCCC[C@@H]2c2ccnn2C)cccc1[N+](=O)[O-] ZINC000281199797 433271109 /nfs/dbraw/zinc/27/11/09/433271109.db2.gz AKCKANBVBQFDGS-QGZVFWFLSA-N 1 1 314.389 3.364 20 5 DGBDMO Cc1c(C[N@@H+]2CCCC[C@@H]2c2ccnn2C)cccc1[N+](=O)[O-] ZINC000281199797 433271115 /nfs/dbraw/zinc/27/11/15/433271115.db2.gz AKCKANBVBQFDGS-QGZVFWFLSA-N 1 1 314.389 3.364 20 5 DGBDMO COc1ccc(C[N@H+]2CC3(CCC3)[C@@H]2C2CC2)cc1[N+](=O)[O-] ZINC000291584117 433277807 /nfs/dbraw/zinc/27/78/07/433277807.db2.gz PDTIXWLNVGSJMY-INIZCTEOSA-N 1 1 302.374 3.368 20 5 DGBDMO CO[C@@H](C[N@@H+](C)Cc1ccccc1[N+](=O)[O-])c1ccccc1 ZINC000338548383 433304803 /nfs/dbraw/zinc/30/48/03/433304803.db2.gz XHKVCYGGKIDWJC-KRWDZBQOSA-N 1 1 300.358 3.414 20 5 DGBDMO CC(C)[N@@H+](CCn1ccc([N+](=O)[O-])n1)[C@@H](C)c1ccsc1 ZINC000421012819 433383568 /nfs/dbraw/zinc/38/35/68/433383568.db2.gz QPBVCJKLXLDFOA-LBPRGKRZSA-N 1 1 308.407 3.324 20 5 DGBDMO O=[N+]([O-])c1cc(Cl)ccc1NCCc1cn2c([nH+]1)CCCC2 ZINC000301061354 433398154 /nfs/dbraw/zinc/39/81/54/433398154.db2.gz FKMRGIIWCMEPGC-UHFFFAOYSA-N 1 1 320.780 3.436 20 5 DGBDMO O=[N+]([O-])c1cc(Cl)ccc1C[N@@H+]1CCC[C@@H]1[C@H]1CCCO1 ZINC000375348449 433436957 /nfs/dbraw/zinc/43/69/57/433436957.db2.gz IZKNXGSSOBUJGF-UKRRQHHQSA-N 1 1 310.781 3.392 20 5 DGBDMO O=[N+]([O-])c1cc(Cl)ccc1C[N@H+]1CCC[C@@H]1[C@H]1CCCO1 ZINC000375348449 433436969 /nfs/dbraw/zinc/43/69/69/433436969.db2.gz IZKNXGSSOBUJGF-UKRRQHHQSA-N 1 1 310.781 3.392 20 5 DGBDMO CC(C)c1ccc(C[N@@H+]2CCSC[C@@H]2CCO)cc1[N+](=O)[O-] ZINC000355076649 433452929 /nfs/dbraw/zinc/45/29/29/433452929.db2.gz DNWNOTBVXMBDJL-AWEZNQCLSA-N 1 1 324.446 3.018 20 5 DGBDMO CC(C)c1ccc(C[N@H+]2CCSC[C@@H]2CCO)cc1[N+](=O)[O-] ZINC000355076649 433452952 /nfs/dbraw/zinc/45/29/52/433452952.db2.gz DNWNOTBVXMBDJL-AWEZNQCLSA-N 1 1 324.446 3.018 20 5 DGBDMO C[C@H](N[C@@H]1CC(C)(C)c2ccc([N+](=O)[O-])cc21)[C@H]1CCC[NH2+]C1 ZINC000423221525 290000820 /nfs/dbraw/zinc/00/08/20/290000820.db2.gz WXMDDNVRGAWLQZ-GDZNZVCISA-N 1 1 317.433 3.295 20 5 DGBDMO C[C@H]1C[N@@H+](C)[C@@H](C)CN1c1ccc(C(F)(F)F)cc1[N+](=O)[O-] ZINC000351504692 433533499 /nfs/dbraw/zinc/53/34/99/433533499.db2.gz KSBADSAOOHKQDH-UWVGGRQHSA-N 1 1 317.311 3.142 20 5 DGBDMO COc1ccc(-c2ccc(C[NH2+][C@H](C)CF)o2)c([N+](=O)[O-])c1 ZINC000342195691 433535415 /nfs/dbraw/zinc/53/54/15/433535415.db2.gz DODSQDKPMCQGAS-SNVBAGLBSA-N 1 1 308.309 3.311 20 5 DGBDMO Cc1cc([N+](=O)[O-])cnc1NC[C@H](C)[N@@H+](C)Cc1ccccc1 ZINC000301298664 433492908 /nfs/dbraw/zinc/49/29/08/433492908.db2.gz YZOCRRAFVGVUGO-AWEZNQCLSA-N 1 1 314.389 3.231 20 5 DGBDMO CC[C@@H](NCC[N@@H+]1CCC[C@H](C)C1)c1cccc([N+](=O)[O-])c1 ZINC000342289804 433587379 /nfs/dbraw/zinc/58/73/79/433587379.db2.gz PWHPTVXAPOGMER-WMLDXEAASA-N 1 1 305.422 3.367 20 5 DGBDMO Cc1ccc(C[N@H+]2CCC[C@@H](c3ccc([N+](=O)[O-])cc3)C2)nn1 ZINC000414454929 433628473 /nfs/dbraw/zinc/62/84/73/433628473.db2.gz ASNZKSIPZYSOTP-OAHLLOKOSA-N 1 1 312.373 3.073 20 5 DGBDMO C[C@@H]1C[C@H](c2ccccc2)CC[N@H+]1CCn1cc([N+](=O)[O-])cn1 ZINC000366882759 293000268 /nfs/dbraw/zinc/00/02/68/293000268.db2.gz MCLJOORHKLECGY-GDBMZVCRSA-N 1 1 314.389 3.059 20 5 DGBDMO O=[N+]([O-])c1ccc(C[N@H+]2CCC[C@@H](C[C@H]3CCOC3)C2)cc1F ZINC000366996976 293012012 /nfs/dbraw/zinc/01/20/12/293012012.db2.gz POLAUIWFHKEMLY-DZGCQCFKSA-N 1 1 322.380 3.373 20 5 DGBDMO Cc1cc(N2CC[C@H]3[C@H](CCC[N@H+]3C3CC3)C2)ccc1[N+](=O)[O-] ZINC000301749452 433708242 /nfs/dbraw/zinc/70/82/42/433708242.db2.gz AABGDJANBDIUHR-KDOFPFPSSA-N 1 1 315.417 3.356 20 5 DGBDMO O=[N+]([O-])c1ccc2c(c1)[C@H](N[C@H]1CC[N@@H+]3CCC[C@H]3C1)CCC2 ZINC000373024955 293251939 /nfs/dbraw/zinc/25/19/39/293251939.db2.gz ONHSDCXUXKYANI-RLFYNMQTSA-N 1 1 315.417 3.189 20 5 DGBDMO O=[N+]([O-])c1ccc2c(c1)[C@H](N[C@H]1CC[N@H+]3CCC[C@H]3C1)CCC2 ZINC000373024955 293251941 /nfs/dbraw/zinc/25/19/41/293251941.db2.gz ONHSDCXUXKYANI-RLFYNMQTSA-N 1 1 315.417 3.189 20 5 DGBDMO O=[N+]([O-])c1ccc2c(c1)[C@H](N[C@H]1CC[N@@H+]3CCC[C@@H]3C1)CCC2 ZINC000373024948 293252131 /nfs/dbraw/zinc/25/21/31/293252131.db2.gz ONHSDCXUXKYANI-HDMKZQKVSA-N 1 1 315.417 3.189 20 5 DGBDMO O=[N+]([O-])c1ccc2c(c1)[C@H](N[C@H]1CC[N@H+]3CCC[C@@H]3C1)CCC2 ZINC000373024948 293252133 /nfs/dbraw/zinc/25/21/33/293252133.db2.gz ONHSDCXUXKYANI-HDMKZQKVSA-N 1 1 315.417 3.189 20 5 DGBDMO CCCO[C@H]1CCC[N@@H+](Cc2ccc([N+](=O)[O-])cc2OC)CC1 ZINC000373783270 293315966 /nfs/dbraw/zinc/31/59/66/293315966.db2.gz PWRWXYHOWAWWOP-INIZCTEOSA-N 1 1 322.405 3.385 20 5 DGBDMO O=[N+]([O-])c1cc(C[N@H+]2CC[C@@H](C3CCOCC3)C2)ccc1Cl ZINC000374369195 293390454 /nfs/dbraw/zinc/39/04/54/293390454.db2.gz UWNYNGAXDBJEEU-CQSZACIVSA-N 1 1 324.808 3.497 20 5 DGBDMO C[C@H](C(=O)Nc1ccccc1[N+](=O)[O-])[N@H+]1CC[C@@H](CC2CC2)C1 ZINC000339676660 433724465 /nfs/dbraw/zinc/72/44/65/433724465.db2.gz XSALMKKCIXUMMW-OCCSQVGLSA-N 1 1 317.389 3.044 20 5 DGBDMO CC[N@@H+](Cc1cc(Cl)cc(Cl)c1[N+](=O)[O-])[C@@H](C)CO ZINC000293546719 433777908 /nfs/dbraw/zinc/77/79/08/433777908.db2.gz YQFCKGOVTWIPSY-QMMMGPOBSA-N 1 1 307.177 3.104 20 5 DGBDMO CCc1ccc([C@H]([NH2+]C[C@@H](O)CC)c2ccc([N+](=O)[O-])cc2)o1 ZINC000421880494 433791566 /nfs/dbraw/zinc/79/15/66/433791566.db2.gz QKZFXTPZQQYSKU-WMLDXEAASA-N 1 1 318.373 3.200 20 5 DGBDMO CCOc1ccc([N+](=O)[O-])cc1C[N@H+]1CCC[C@@H]1[C@H]1CCCO1 ZINC000283942913 433801749 /nfs/dbraw/zinc/80/17/49/433801749.db2.gz AFQYUUPECLWHIZ-NVXWUHKLSA-N 1 1 320.389 3.137 20 5 DGBDMO Cc1cc(N[C@@H](C)C[N@@H+](C)Cc2ccccc2)ncc1[N+](=O)[O-] ZINC000302041034 433814366 /nfs/dbraw/zinc/81/43/66/433814366.db2.gz WJVDUYNAJYGYRX-AWEZNQCLSA-N 1 1 314.389 3.231 20 5 DGBDMO C[N@H+]1CCC[C@H]2CN(c3c(Cl)cccc3[N+](=O)[O-])CC[C@@H]21 ZINC000432333663 433822877 /nfs/dbraw/zinc/82/28/77/433822877.db2.gz CWYYWZZKGMMLFE-AAEUAGOBSA-N 1 1 309.797 3.169 20 5 DGBDMO CC(C)[N@@H+](C)CCN[C@@H]1CC(C)(C)c2ccc([N+](=O)[O-])cc21 ZINC000433123579 433841538 /nfs/dbraw/zinc/84/15/38/433841538.db2.gz ZOADWNMZIJYGBO-MRXNPFEDSA-N 1 1 305.422 3.247 20 5 DGBDMO CC(C)N(C)CC[NH2+][C@@H]1CC(C)(C)c2ccc([N+](=O)[O-])cc21 ZINC000433123579 433841546 /nfs/dbraw/zinc/84/15/46/433841546.db2.gz ZOADWNMZIJYGBO-MRXNPFEDSA-N 1 1 305.422 3.247 20 5 DGBDMO C[C@@H]1C[N@@H+](Cc2ccccc2)CCN1c1ccccc1[N+](=O)[O-] ZINC000303629203 433950636 /nfs/dbraw/zinc/95/06/36/433950636.db2.gz TWMBRJCEAAEMGH-OAHLLOKOSA-N 1 1 311.385 3.306 20 5 DGBDMO Cn1ccnc1[C@H]([NH2+]C[C@@H]1CC1(C)C)c1cccc([N+](=O)[O-])c1 ZINC000353405273 434114080 /nfs/dbraw/zinc/11/40/80/434114080.db2.gz RDWJWSYJQLRVLP-DZGCQCFKSA-N 1 1 314.389 3.053 20 5 DGBDMO CC[C@H]1C[C@@H](C)C[N@H+]1CCC(=O)Nc1ccccc1[N+](=O)[O-] ZINC000500125952 294105217 /nfs/dbraw/zinc/10/52/17/294105217.db2.gz QLVUJBGHSSXIBX-OLZOCXBDSA-N 1 1 305.378 3.044 20 5 DGBDMO Cc1c([C@H](C)N[C@H]2CC[N@H+]3CCC[C@@H]3C2)cccc1[N+](=O)[O-] ZINC000363791583 434151024 /nfs/dbraw/zinc/15/10/24/434151024.db2.gz JWIRHWMUKMFAEY-SOUVJXGZSA-N 1 1 303.406 3.181 20 5 DGBDMO O=[N+]([O-])c1ccc(-c2nc(C[NH+]3CCC(CF)CC3)co2)cc1 ZINC000295109725 434205262 /nfs/dbraw/zinc/20/52/62/434205262.db2.gz IKGGJDIHHJYLMV-UHFFFAOYSA-N 1 1 319.336 3.431 20 5 DGBDMO COc1ccc(C[NH2+]Cc2cccc([N+](=O)[O-])c2C)c(F)c1 ZINC000318274474 434207319 /nfs/dbraw/zinc/20/73/19/434207319.db2.gz LXNDYPGWTROGIM-UHFFFAOYSA-N 1 1 304.321 3.341 20 5 DGBDMO C[C@H](CCc1ccccc1[N+](=O)[O-])[NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC000295114280 434210443 /nfs/dbraw/zinc/21/04/43/434210443.db2.gz WMPSUOGZRPQUEU-HZTRTUMWSA-N 1 1 317.433 3.131 20 5 DGBDMO C[C@H](CCc1ccccc1[N+](=O)[O-])[NH2+]C1C[C@H]2CC[C@@H](C1)N2C ZINC000295114280 434210453 /nfs/dbraw/zinc/21/04/53/434210453.db2.gz WMPSUOGZRPQUEU-HZTRTUMWSA-N 1 1 317.433 3.131 20 5 DGBDMO CCOc1ccc([C@H](C)N[C@H](C)[C@H]2CCC[NH2+]C2)cc1[N+](=O)[O-] ZINC000423213888 434291014 /nfs/dbraw/zinc/29/10/14/434291014.db2.gz KMGDNEBAAAPCHI-GUTXKFCHSA-N 1 1 321.421 3.032 20 5 DGBDMO Cc1ccc([C@H](C)[NH2+]Cc2ncccc2N(C)C)cc1[N+](=O)[O-] ZINC000353631382 434291767 /nfs/dbraw/zinc/29/17/67/434291767.db2.gz PXIVONNVLVMEFN-ZDUSSCGKSA-N 1 1 314.389 3.215 20 5 DGBDMO COCCc1cc[nH+]c(N[C@@H](C)c2cccc([N+](=O)[O-])c2)c1 ZINC000287301085 434329611 /nfs/dbraw/zinc/32/96/11/434329611.db2.gz DPTIUSSHPPCNLJ-LBPRGKRZSA-N 1 1 301.346 3.352 20 5 DGBDMO C[C@@H]1Cc2[nH+]cn(Cc3ccc([N+](=O)[O-])cc3F)c2C[C@H]1C ZINC000390186574 434358259 /nfs/dbraw/zinc/35/82/59/434358259.db2.gz SHNHIHCFSZFFRS-GHMZBOCLSA-N 1 1 303.337 3.350 20 5 DGBDMO C[C@H]1Cc2[nH+]cn(Cc3ccc([N+](=O)[O-])cc3F)c2C[C@@H]1C ZINC000390186577 434358334 /nfs/dbraw/zinc/35/83/34/434358334.db2.gz SHNHIHCFSZFFRS-QWRGUYRKSA-N 1 1 303.337 3.350 20 5 DGBDMO CCOc1ccc([N+](=O)[O-])cc1C[N@@H+](C)CCCOC(C)C ZINC000353713659 434360276 /nfs/dbraw/zinc/36/02/76/434360276.db2.gz QLNBTEONKAHAPJ-UHFFFAOYSA-N 1 1 310.394 3.240 20 5 DGBDMO CCO[C@H]1C[C@H]([N@@H+](C)Cc2ccc(OC)c([N+](=O)[O-])c2)C1(C)C ZINC000353780080 434428597 /nfs/dbraw/zinc/42/85/97/434428597.db2.gz KGIGEGAJSMAXMX-HOTGVXAUSA-N 1 1 322.405 3.239 20 5 DGBDMO CC[N@H+](Cc1ccc(-c2ccc([N+](=O)[O-])cc2)o1)C[C@H](C)O ZINC000348718986 434461144 /nfs/dbraw/zinc/46/11/44/434461144.db2.gz ZBIVZPBOBJSBJD-LBPRGKRZSA-N 1 1 304.346 3.058 20 5 DGBDMO CC(C)[N@H+]1CC[C@@H](N(C)c2ccc([N+](=O)[O-])c3cnccc32)C1 ZINC000450948975 434500081 /nfs/dbraw/zinc/50/00/81/434500081.db2.gz IHOSTGSOONQEIM-CYBMUJFWSA-N 1 1 314.389 3.062 20 5 DGBDMO CO[C@@H](C)C[N@@H+](C)Cc1ccc(-c2ccc([N+](=O)[O-])cc2)o1 ZINC000348840001 434519475 /nfs/dbraw/zinc/51/94/75/434519475.db2.gz YXDZFTVKFXJJTE-LBPRGKRZSA-N 1 1 304.346 3.322 20 5 DGBDMO COc1cc([N+](=O)[O-])ccc1Cn1c[nH+]c2c1C[C@H](C)[C@H](C)C2 ZINC000450997495 434525016 /nfs/dbraw/zinc/52/50/16/434525016.db2.gz IRKRRWUDCLUXBM-NEPJUHHUSA-N 1 1 315.373 3.219 20 5 DGBDMO O=[N+]([O-])c1ccc(CC[N@H+]2CCC[C@@H]2C2CCOCC2)cc1 ZINC000348946365 434561152 /nfs/dbraw/zinc/56/11/52/434561152.db2.gz FIWXAKYPGVOOBW-QGZVFWFLSA-N 1 1 304.390 3.028 20 5 DGBDMO Cc1nnc([C@@H](C)[N@@H+]2CCC[C@H](c3ccc([N+](=O)[O-])cc3)C2)o1 ZINC000451547192 434571247 /nfs/dbraw/zinc/57/12/47/434571247.db2.gz KMLCMNONPRHYSX-RISCZKNCSA-N 1 1 316.361 3.227 20 5 DGBDMO Cc1nnc([C@@H](C)[N@H+]2CCC[C@H](c3ccc([N+](=O)[O-])cc3)C2)o1 ZINC000451547192 434571251 /nfs/dbraw/zinc/57/12/51/434571251.db2.gz KMLCMNONPRHYSX-RISCZKNCSA-N 1 1 316.361 3.227 20 5 DGBDMO Cc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@H+](C)C1CC(C)(C)C1 ZINC000459746806 434694297 /nfs/dbraw/zinc/69/42/97/434694297.db2.gz VGZVBKBSUAMNPZ-UHFFFAOYSA-N 1 1 319.405 3.352 20 5 DGBDMO CCOC[C@H]1CCCC[N@H+]1C/C=C/c1ccccc1[N+](=O)[O-] ZINC000459676281 434658505 /nfs/dbraw/zinc/65/85/05/434658505.db2.gz NKYGWDQEKGUXPJ-MNDMWVCDSA-N 1 1 304.390 3.499 20 5 DGBDMO C[C@H]1CC[N@@H+](Cc2ccc(-c3ccc([N+](=O)[O-])cc3)o2)C[C@H]1O ZINC000349356657 434690041 /nfs/dbraw/zinc/69/00/41/434690041.db2.gz VYVANRNULMLDSQ-BLLLJJGKSA-N 1 1 316.357 3.058 20 5 DGBDMO Cc1nccn1CCC[N@H+](C)C/C=C\c1ccccc1[N+](=O)[O-] ZINC000349405037 434707193 /nfs/dbraw/zinc/70/71/93/434707193.db2.gz GYUNMADOAPENQW-YVMONPNESA-N 1 1 314.389 3.135 20 5 DGBDMO C[C@@H](C[N@@H+](C)CCc1ccc([N+](=O)[O-])cc1)C(=O)OC(C)(C)C ZINC000459786220 434718229 /nfs/dbraw/zinc/71/82/29/434718229.db2.gz BPQXSSMXVOCTAN-ZDUSSCGKSA-N 1 1 322.405 3.047 20 5 DGBDMO CCC[N@@H+](CCC(=O)Nc1ccc([N+](=O)[O-])cc1)CC1CC1 ZINC000411133908 434728673 /nfs/dbraw/zinc/72/86/73/434728673.db2.gz IMONCGDCRPKMSL-UHFFFAOYSA-N 1 1 305.378 3.045 20 5 DGBDMO CCn1c2ccc(C)cc2[nH+]c1NCc1ccc([N+](=O)[O-])cc1 ZINC000460669962 434766376 /nfs/dbraw/zinc/76/63/76/434766376.db2.gz HSWHYSHLFOBSJZ-UHFFFAOYSA-N 1 1 310.357 3.885 20 5 DGBDMO CC[C@@H]1C[C@H](C)C[N@H+]1CCC(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000411306875 434761536 /nfs/dbraw/zinc/76/15/36/434761536.db2.gz WUANUWZGAQNLKI-GXTWGEPZSA-N 1 1 305.378 3.044 20 5 DGBDMO C[C@@H]1[C@H](C)C[N@@H+](Cc2nc(-c3ccc([N+](=O)[O-])cc3)no2)[C@H]1C ZINC000419379833 434781632 /nfs/dbraw/zinc/78/16/32/434781632.db2.gz XBBBCJXGCMTITR-UTUOFQBUSA-N 1 1 316.361 3.121 20 5 DGBDMO Cc1c(NC(=O)[C@@H](C)[N@H+]2CC(C)(C)C[C@H]2C)cccc1[N+](=O)[O-] ZINC000412041492 434858746 /nfs/dbraw/zinc/85/87/46/434858746.db2.gz LMNVYZOKYAYGGI-DGCLKSJQSA-N 1 1 319.405 3.351 20 5 DGBDMO Cn1cnc([N+](=O)[O-])c1C[N@H+]1CC[C@H](CC(C)(C)C)C1(C)C ZINC000412042398 434858826 /nfs/dbraw/zinc/85/88/26/434858826.db2.gz VELJXZIYGWIKPV-GFCCVEGCSA-N 1 1 308.426 3.365 20 5 DGBDMO C[C@H](C[NH+]1CCCCC1)N[C@@H]1CCc2c1cccc2[N+](=O)[O-] ZINC000573696999 434919238 /nfs/dbraw/zinc/91/92/38/434919238.db2.gz OPYGPMQFSLPVLL-CZUORRHYSA-N 1 1 303.406 3.046 20 5 DGBDMO CCCC[N@@H+](C)CCNc1ccc([N+](=O)[O-])c(OC(F)F)c1 ZINC000462846323 434933318 /nfs/dbraw/zinc/93/33/18/434933318.db2.gz APMSQRXSEWJSOL-UHFFFAOYSA-N 1 1 317.336 3.340 20 5 DGBDMO O=[N+]([O-])c1cccc(Cl)c1C[N@H+]1CCCC[C@@H]1C1(O)CC1 ZINC000574498525 434982526 /nfs/dbraw/zinc/98/25/26/434982526.db2.gz UPQPMCNRMVWGIF-CQSZACIVSA-N 1 1 310.781 3.128 20 5 DGBDMO O=[N+]([O-])c1cccc(Cl)c1C[N@@H+]1CCCC[C@@H]1C1(O)CC1 ZINC000574498525 434982530 /nfs/dbraw/zinc/98/25/30/434982530.db2.gz UPQPMCNRMVWGIF-CQSZACIVSA-N 1 1 310.781 3.128 20 5 DGBDMO CC[C@@]1(C)CCC[N@@H+](CCOc2ccc(OC)cc2[N+](=O)[O-])C1 ZINC000464779749 435000439 /nfs/dbraw/zinc/00/04/39/435000439.db2.gz PQVGSYGYVPTPCN-KRWDZBQOSA-N 1 1 322.405 3.494 20 5 DGBDMO C[C@H]1Cc2ccccc2C[N@H+]1CCOc1cccc([N+](=O)[O-])c1 ZINC000525126274 435005980 /nfs/dbraw/zinc/00/59/80/435005980.db2.gz SDICJTIFTOVIIE-AWEZNQCLSA-N 1 1 312.369 3.420 20 5 DGBDMO CCC[C@H]1CCC[N@@H+](CC(=O)Nc2cc([N+](=O)[O-])ccc2C)C1 ZINC000466491702 435079666 /nfs/dbraw/zinc/07/96/66/435079666.db2.gz XTFVQCKFWKCSBS-AWEZNQCLSA-N 1 1 319.405 3.354 20 5 DGBDMO CCC[N@@H+]1CCC[C@H]1CN[C@H](C)c1ccc(C)c([N+](=O)[O-])c1 ZINC000556921292 435038821 /nfs/dbraw/zinc/03/88/21/435038821.db2.gz NCOKTYQOZDIDQD-ZBFHGGJFSA-N 1 1 305.422 3.428 20 5 DGBDMO CCC[N@H+]1CCC[C@H]1CN[C@H](C)c1ccc(C)c([N+](=O)[O-])c1 ZINC000556921292 435038823 /nfs/dbraw/zinc/03/88/23/435038823.db2.gz NCOKTYQOZDIDQD-ZBFHGGJFSA-N 1 1 305.422 3.428 20 5 DGBDMO CC(C)[C@@H]1C[N@@H+](C/C=C\c2ccccc2[N+](=O)[O-])CCCO1 ZINC000556981296 435042094 /nfs/dbraw/zinc/04/20/94/435042094.db2.gz XHUPNRGCTGSNMH-AFCDSYGPSA-N 1 1 304.390 3.355 20 5 DGBDMO CCOc1cc(C[N@H+](C)CCC(F)(F)F)ccc1[N+](=O)[O-] ZINC000492771401 435047461 /nfs/dbraw/zinc/04/74/61/435047461.db2.gz MOAAQCMMJUTAFY-UHFFFAOYSA-N 1 1 306.284 3.378 20 5 DGBDMO CCOc1cc(C[N@@H+](C)CCC(F)(F)F)ccc1[N+](=O)[O-] ZINC000492771401 435047464 /nfs/dbraw/zinc/04/74/64/435047464.db2.gz MOAAQCMMJUTAFY-UHFFFAOYSA-N 1 1 306.284 3.378 20 5 DGBDMO COc1ccc(OCC[N@H+]2CC[C@H](CC(C)C)C2)c([N+](=O)[O-])c1 ZINC000466741984 435091490 /nfs/dbraw/zinc/09/14/90/435091490.db2.gz VFWSDJBZMSBYQF-CQSZACIVSA-N 1 1 322.405 3.350 20 5 DGBDMO C[C@H]1C[N@H+]2CCCC[C@H]2CN1Cc1c(Cl)cccc1[N+](=O)[O-] ZINC000493060044 435100880 /nfs/dbraw/zinc/10/08/80/435100880.db2.gz VMAGYPQPYDQZNG-STQMWFEESA-N 1 1 323.824 3.307 20 5 DGBDMO Cc1ccc([N+](=O)[O-])cc1[C@H](C)N[C@H]1C[C@@H](C)[N@H+](C2CC2)C1 ZINC000531721904 435114007 /nfs/dbraw/zinc/11/40/07/435114007.db2.gz XMLWLPXJWVTFPM-RDBSUJKOSA-N 1 1 303.406 3.179 20 5 DGBDMO C/C(=C/c1cccc([N+](=O)[O-])c1)CN1C[C@@H](C)[N@@H+](C)[C@@H](C)C1 ZINC000560608565 435185081 /nfs/dbraw/zinc/18/50/81/435185081.db2.gz RTDIEXGKILQJKV-OJRGUNPPSA-N 1 1 303.406 3.023 20 5 DGBDMO C/C(=C/c1cccc([N+](=O)[O-])c1)C[N@@H+]1C[C@@H](C)N(C)[C@@H](C)C1 ZINC000560608565 435185085 /nfs/dbraw/zinc/18/50/85/435185085.db2.gz RTDIEXGKILQJKV-OJRGUNPPSA-N 1 1 303.406 3.023 20 5 DGBDMO C/C(=C/c1cccc([N+](=O)[O-])c1)C[N@H+]1C[C@@H](C)N(C)[C@@H](C)C1 ZINC000560608565 435185088 /nfs/dbraw/zinc/18/50/88/435185088.db2.gz RTDIEXGKILQJKV-OJRGUNPPSA-N 1 1 303.406 3.023 20 5 DGBDMO CC[C@H](C)[C@@H]1CCCC[N@H+]1CC(=O)Nc1ccccc1[N+](=O)[O-] ZINC000532968034 435203871 /nfs/dbraw/zinc/20/38/71/435203871.db2.gz OUNIBGHGEJCHGG-ZFWWWQNUSA-N 1 1 319.405 3.434 20 5 DGBDMO CC(C)(C)[N@H+]1CCCN(C/C=C/c2ccccc2[N+](=O)[O-])CC1 ZINC000535083933 435317495 /nfs/dbraw/zinc/31/74/95/435317495.db2.gz OJHHWSRKOUYWLK-RMKNXTFCSA-N 1 1 317.433 3.414 20 5 DGBDMO CCCC[N@@H+](C)C[C@H](C)NC(=O)Nc1ccc([N+](=O)[O-])c(C)c1 ZINC000568134405 435394552 /nfs/dbraw/zinc/39/45/52/435394552.db2.gz XZWDEVIFJMMDGC-ZDUSSCGKSA-N 1 1 322.409 3.145 20 5 DGBDMO Cc1ccc([N+](=O)[O-])cc1[C@H](C)[NH2+][C@@H]1C[C@H](C)n2ccnc21 ZINC000515208008 435470175 /nfs/dbraw/zinc/47/01/75/435470175.db2.gz DOGVJBAXZREYLK-SLEUVZQESA-N 1 1 300.362 3.456 20 5 DGBDMO CCc1cc(CCC[N@@H+]2CCc3c(cccc3[N+](=O)[O-])C2)on1 ZINC000514653560 435427175 /nfs/dbraw/zinc/42/71/75/435427175.db2.gz HPLGLMARLRYMIJ-UHFFFAOYSA-N 1 1 315.373 3.136 20 5 DGBDMO CCc1cc(CCC[N@H+]2CCc3c(cccc3[N+](=O)[O-])C2)on1 ZINC000514653560 435427180 /nfs/dbraw/zinc/42/71/80/435427180.db2.gz HPLGLMARLRYMIJ-UHFFFAOYSA-N 1 1 315.373 3.136 20 5 DGBDMO O=[N+]([O-])c1ccccc1/C=C\C[N@H+]1CCC[C@@H]1C1CCOCC1 ZINC000537466403 435443345 /nfs/dbraw/zinc/44/33/45/435443345.db2.gz CBGIOSLQBDBFSH-GPCFVJJQSA-N 1 1 316.401 3.499 20 5 DGBDMO C[C@H](C[N@@H+]1CCC[C@@H](C)C1)N[C@H]1CCc2c1cccc2[N+](=O)[O-] ZINC000569000395 435491706 /nfs/dbraw/zinc/49/17/06/435491706.db2.gz IEHFPIUDYKKNMA-CPUCHLNUSA-N 1 1 317.433 3.292 20 5 DGBDMO C[C@H](C[N@H+]1CCC[C@@H](C)C1)N[C@H]1CCc2c1cccc2[N+](=O)[O-] ZINC000569000395 435491710 /nfs/dbraw/zinc/49/17/10/435491710.db2.gz IEHFPIUDYKKNMA-CPUCHLNUSA-N 1 1 317.433 3.292 20 5 DGBDMO CCCC[N@H+](CCOC)Cc1ccc([N+](=O)[O-])cc1Cl ZINC000541071507 435636451 /nfs/dbraw/zinc/63/64/51/435636451.db2.gz ZNARSHDZMDLDQP-UHFFFAOYSA-N 1 1 300.786 3.497 20 5 DGBDMO CCCC[N@@H+](CCOC)Cc1ccc([N+](=O)[O-])cc1Cl ZINC000541071507 435636454 /nfs/dbraw/zinc/63/64/54/435636454.db2.gz ZNARSHDZMDLDQP-UHFFFAOYSA-N 1 1 300.786 3.497 20 5 DGBDMO COc1cc([N+](=O)[O-])ccc1C[N@@H+]1CCC[C@H]1c1ccccn1 ZINC000518287385 435631354 /nfs/dbraw/zinc/63/13/54/435631354.db2.gz JDIYSAKBSUWPAW-INIZCTEOSA-N 1 1 313.357 3.336 20 5 DGBDMO COc1cc([N+](=O)[O-])ccc1C[N@H+]1CCC[C@H]1c1ccccn1 ZINC000518287385 435631358 /nfs/dbraw/zinc/63/13/58/435631358.db2.gz JDIYSAKBSUWPAW-INIZCTEOSA-N 1 1 313.357 3.336 20 5 DGBDMO O=[N+]([O-])c1ccc(CC[N@H+]2CCC[C@H]2[C@H]2CCCOC2)cc1 ZINC000570276843 435603862 /nfs/dbraw/zinc/60/38/62/435603862.db2.gz USTAUSXPWMTUEP-RDJZCZTQSA-N 1 1 304.390 3.028 20 5 DGBDMO Cc1ccc([N+](=O)[O-])c(N2CC[N@H+]([C@@H]3C[C@@H]3C)C[C@@H](C)C2)c1 ZINC000488727929 435641724 /nfs/dbraw/zinc/64/17/24/435641724.db2.gz DYJFLSXIJFPDEZ-IJEWVQPXSA-N 1 1 303.406 3.070 20 5 DGBDMO C[N@@H+](Cc1ccc([N+](=O)[O-])cc1F)C1Cc2ccccc2C1 ZINC000491113658 435705472 /nfs/dbraw/zinc/70/54/72/435705472.db2.gz MDBUJXJZTYVURD-UHFFFAOYSA-N 1 1 300.333 3.333 20 5 DGBDMO CCC[C@H]1CCCC[N@H+]1CC(=O)Nc1cc([N+](=O)[O-])ccc1C ZINC000544529525 314196869 /nfs/dbraw/zinc/19/68/69/314196869.db2.gz HYAMTLCBJJUMIZ-AWEZNQCLSA-N 1 1 319.405 3.496 20 5 DGBDMO Cc1cccc(N2CC[NH+](Cc3ccsc3)CC2)c1[N+](=O)[O-] ZINC000565375633 315257484 /nfs/dbraw/zinc/25/74/84/315257484.db2.gz OXHRVDGUBUSDOU-UHFFFAOYSA-N 1 1 317.414 3.287 20 5 DGBDMO Cc1ccc([N+](=O)[O-])cc1[C@@H](C)NC1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC000575992502 316084107 /nfs/dbraw/zinc/08/41/07/316084107.db2.gz TXSHCXNQVLHEOR-FFHGMXDLSA-N 1 1 303.406 3.179 20 5 DGBDMO Cc1ccc([N+](=O)[O-])cc1[C@@H](C)[NH2+]C1C[C@H]2CC[C@@H](C1)N2C ZINC000575992502 316084118 /nfs/dbraw/zinc/08/41/18/316084118.db2.gz TXSHCXNQVLHEOR-FFHGMXDLSA-N 1 1 303.406 3.179 20 5 DGBDMO CCOc1cccc(NC[C@H]2CC[N@@H+](CC(C)C)C2)c1[N+](=O)[O-] ZINC000184134907 323355890 /nfs/dbraw/zinc/35/58/90/323355890.db2.gz AXTDAZBIJLZIIF-CQSZACIVSA-N 1 1 321.421 3.383 20 5 DGBDMO C[C@H]1CC[C@H](C)[NH+]1Cc1nc(-c2ccc([N+](=O)[O-])s2)no1 ZINC000350867797 323510973 /nfs/dbraw/zinc/51/09/73/323510973.db2.gz JETCYSZSWFZHSC-IUCAKERBSA-N 1 1 308.363 3.079 20 5 DGBDMO COc1cc(F)c(C[NH2+]Cc2ccccc2[N+](=O)[O-])cc1OC ZINC000580335226 323986003 /nfs/dbraw/zinc/98/60/03/323986003.db2.gz KIGVSKTTZPANFG-UHFFFAOYSA-N 1 1 320.320 3.041 20 5 DGBDMO C[N@@H+](CCN[C@H]1CCCc2ccc([N+](=O)[O-])cc21)C1CCCC1 ZINC000582944077 324294445 /nfs/dbraw/zinc/29/44/45/324294445.db2.gz FBHOAUQMSDQVQS-SFHVURJKSA-N 1 1 317.433 3.436 20 5 DGBDMO CN(CC[NH2+][C@H]1CCCc2ccc([N+](=O)[O-])cc21)C1CCCC1 ZINC000582944077 324294447 /nfs/dbraw/zinc/29/44/47/324294447.db2.gz FBHOAUQMSDQVQS-SFHVURJKSA-N 1 1 317.433 3.436 20 5 DGBDMO CCC[N@@H+](CCC(=O)Nc1ccc(OC)cc1[N+](=O)[O-])C(C)C ZINC000583389522 324348617 /nfs/dbraw/zinc/34/86/17/324348617.db2.gz PQKZWNLZJMJDGC-UHFFFAOYSA-N 1 1 323.393 3.052 20 5 DGBDMO COc1cc(C[N@@H+](C)[C@@H]2CC[C@@H](C)C2)c([N+](=O)[O-])cc1OC ZINC000433036850 533793735 /nfs/dbraw/zinc/79/37/35/533793735.db2.gz ZNLGTRPFZNNXQL-DGCLKSJQSA-N 1 1 308.378 3.232 20 5 DGBDMO CSC[C@H]1CCC[N@@H+](Cc2nc3cc([N+](=O)[O-])ccc3o2)C1 ZINC000292557972 533809104 /nfs/dbraw/zinc/80/91/04/533809104.db2.gz ZBUNWHOWLAGVFS-NSHDSACASA-N 1 1 321.402 3.311 20 5 DGBDMO COc1cc(C[NH2+]C(C)(C)c2ccccc2[N+](=O)[O-])ccn1 ZINC000429248501 533868108 /nfs/dbraw/zinc/86/81/08/533868108.db2.gz ZWVFARDOQOYKID-UHFFFAOYSA-N 1 1 301.346 3.023 20 5 DGBDMO O=[N+]([O-])c1ccccc1C[NH2+][C@@H]1CCN[C@@H](c2ccccc2)C1 ZINC000415091706 534887380 /nfs/dbraw/zinc/88/73/80/534887380.db2.gz ZQEGZPKRYCBUFG-IAGOWNOFSA-N 1 1 311.385 3.178 20 5 DGBDMO O=[N+]([O-])c1ccccc1C[NH2+]Cc1cnc(C(F)(F)F)s1 ZINC000443959460 534887405 /nfs/dbraw/zinc/88/74/05/534887405.db2.gz FFSZSKYBCVPPNV-UHFFFAOYSA-N 1 1 317.292 3.360 20 5 DGBDMO C[C@@H](c1cc2ccccc2o1)[N@@H+](C)CCn1cc([N+](=O)[O-])cn1 ZINC000157584076 526033017 /nfs/dbraw/zinc/03/30/17/526033017.db2.gz HBWPZMWZXRMDJN-LBPRGKRZSA-N 1 1 314.345 3.231 20 5 DGBDMO O=[N+]([O-])c1ccc(Cl)c(C[N@H+]2CCC3(C2)CCOCC3)c1 ZINC000266576949 527355939 /nfs/dbraw/zinc/35/59/39/527355939.db2.gz QOILTDWPYXXABA-UHFFFAOYSA-N 1 1 310.781 3.251 20 5 DGBDMO CCC[N@@H+](CC)CCNc1ncc([N+](=O)[O-])cc1C(F)(F)F ZINC000413174686 527982593 /nfs/dbraw/zinc/98/25/93/527982593.db2.gz FADZYXMWISXOQA-UHFFFAOYSA-N 1 1 320.315 3.152 20 5 DGBDMO CC[N@@H+](CCNc1ncc([N+](=O)[O-])cc1C(F)(F)F)C(C)C ZINC000413115997 528519535 /nfs/dbraw/zinc/51/95/35/528519535.db2.gz OOBJRFFNDDZXFN-UHFFFAOYSA-N 1 1 320.315 3.151 20 5 DGBDMO CC[N@@H+](CCNc1ccc([N+](=O)[O-])c2ncccc12)C(C)C ZINC000413109649 528519614 /nfs/dbraw/zinc/51/96/14/528519614.db2.gz GNBRBSUADXDQKN-UHFFFAOYSA-N 1 1 302.378 3.285 20 5 DGBDMO CC1(C)C[NH+](C/C=C/c2ccccc2[N+](=O)[O-])CC(C)(C)O1 ZINC000443857852 529113163 /nfs/dbraw/zinc/11/31/63/529113163.db2.gz UUILIHMUWXNZBL-VQHVLOKHSA-N 1 1 304.390 3.497 20 5 DGBDMO CC[C@@H](C)[N@@H+](C)CCNc1ncc([N+](=O)[O-])cc1C(F)(F)F ZINC000413106535 529343911 /nfs/dbraw/zinc/34/39/11/529343911.db2.gz BCZPPHUWJOFJIA-SECBINFHSA-N 1 1 320.315 3.151 20 5 DGBDMO CCO[C@H]1CC[N@H+](Cc2ccc(Cl)cc2[N+](=O)[O-])C[C@H]1C ZINC000451552262 535631455 /nfs/dbraw/zinc/63/14/55/535631455.db2.gz YMQIGXCZLHYKEW-ABAIWWIYSA-N 1 1 312.797 3.495 20 5 DGBDMO CCO[C@H]1CC[N@@H+](Cc2ccc(Cl)cc2[N+](=O)[O-])C[C@H]1C ZINC000451552262 535631459 /nfs/dbraw/zinc/63/14/59/535631459.db2.gz YMQIGXCZLHYKEW-ABAIWWIYSA-N 1 1 312.797 3.495 20 5 DGBDMO CC[C@@]1(C)CC[N@@H+](CCOc2ccc(OC)cc2[N+](=O)[O-])C1 ZINC000468122516 536048348 /nfs/dbraw/zinc/04/83/48/536048348.db2.gz WOHZFYLQSXCTLM-INIZCTEOSA-N 1 1 308.378 3.104 20 5 DGBDMO C[N@@H+](CCOc1cccc([N+](=O)[O-])c1)CCc1ccccc1F ZINC000731671120 574554869 /nfs/dbraw/zinc/55/48/69/574554869.db2.gz AFFINGSYGXWSJX-UHFFFAOYSA-N 1 1 318.348 3.287 20 5 DGBDMO CC(C)[N@@H+](C)CC1CCN(c2cccc(F)c2[N+](=O)[O-])CC1 ZINC000732567632 574575950 /nfs/dbraw/zinc/57/59/50/574575950.db2.gz FVVLXFSQHRISQL-UHFFFAOYSA-N 1 1 309.385 3.291 20 5 DGBDMO C[C@H]([N@@H+](C)Cn1cc([N+](=O)[O-])c(-c2ccncc2)n1)C(C)(C)C ZINC000742145340 574839381 /nfs/dbraw/zinc/83/93/81/574839381.db2.gz RARCGFFIZKHRBQ-LBPRGKRZSA-N 1 1 317.393 3.177 20 5 DGBDMO C[C@@H]([NH2+]CCCCc1ccc([N+](=O)[O-])cc1)C(=O)OC(C)(C)C ZINC000739999375 574917543 /nfs/dbraw/zinc/91/75/43/574917543.db2.gz LADWTKNMTHTGEJ-CYBMUJFWSA-N 1 1 322.405 3.237 20 5 DGBDMO CC[C@@H](Cc1ccc(C)cc1)[N@@H+](CC)Cn1cc([N+](=O)[O-])cn1 ZINC000742178531 574983957 /nfs/dbraw/zinc/98/39/57/574983957.db2.gz WKFSBEXFBIBAIK-INIZCTEOSA-N 1 1 316.405 3.400 20 5 DGBDMO C[C@H]1CN(C(=O)c2cc3ccccc3c3cccnc23)CC[N@@H+]1C ZINC000748348424 575582360 /nfs/dbraw/zinc/58/23/60/575582360.db2.gz GGRAPNXRNPRPBY-AWEZNQCLSA-N 1 1 319.408 3.164 20 5 DGBDMO C[C@H]1CN(C(=O)c2cc3ccccc3c3cccnc23)CC[N@H+]1C ZINC000748348424 575582364 /nfs/dbraw/zinc/58/23/64/575582364.db2.gz GGRAPNXRNPRPBY-AWEZNQCLSA-N 1 1 319.408 3.164 20 5 DGBDMO COc1ccc(C[N@@H+](C)CCc2ccc([N+](=O)[O-])cc2)cc1F ZINC000917053120 620653558 /nfs/dbraw/zinc/65/35/58/620653558.db2.gz LXFOCGPLTLZEHM-UHFFFAOYSA-N 1 1 318.348 3.417 20 5 DGBDMO CCCC[N@@H+](Cn1c(=O)oc2ccc([N+](=O)[O-])cc21)[C@@H](C)CC ZINC000917436298 620668678 /nfs/dbraw/zinc/66/86/78/620668678.db2.gz AJBSHHRLAGQRRK-LBPRGKRZSA-N 1 1 321.377 3.361 20 5 DGBDMO O=[N+]([O-])c1ccc(N2CC[NH+](C/C=C\c3ccccc3)CC2)cc1 ZINC000033394628 620684225 /nfs/dbraw/zinc/68/42/25/620684225.db2.gz XWUBMXKJHGQLQK-DAXSKMNVSA-N 1 1 323.396 3.430 20 5 DGBDMO Cn1cc[nH+]c1[C@@H]1CCN(c2ccc(C(F)F)cc2[N+](=O)[O-])C1 ZINC000853458620 620697025 /nfs/dbraw/zinc/69/70/25/620697025.db2.gz ZNXDEFNTVRIJIZ-LLVKDONJSA-N 1 1 322.315 3.260 20 5 DGBDMO Cc1nn(C[N@H+]2CC[C@@H](C3CCCCC3)C2)c(C)c1[N+](=O)[O-] ZINC000853554898 620709594 /nfs/dbraw/zinc/70/95/94/620709594.db2.gz PFPSVILQFAEXOM-OAHLLOKOSA-N 1 1 306.410 3.268 20 5 DGBDMO CC(=O)c1cc([N+](=O)[O-])ccc1NC[C@@H]1CC[N@H+]1C(C)(C)C ZINC000853748017 620732636 /nfs/dbraw/zinc/73/26/36/620732636.db2.gz GISPYHRHYGNAEP-ZDUSSCGKSA-N 1 1 305.378 3.082 20 5 DGBDMO CC(=O)c1ccc([N+](=O)[O-])cc1NC[C@@H]1CC[N@H+]1C(C)(C)C ZINC000853748655 620733220 /nfs/dbraw/zinc/73/32/20/620733220.db2.gz PVIFGGSBFINPNY-ZDUSSCGKSA-N 1 1 305.378 3.082 20 5 DGBDMO Cc1nn(C[N@H+](C)[C@H](C)C2(C)CC2)c2cc([N+](=O)[O-])ccc12 ZINC000121249581 617604748 /nfs/dbraw/zinc/60/47/48/617604748.db2.gz DZIRSHFCVASHCH-GFCCVEGCSA-N 1 1 302.378 3.331 20 5 DGBDMO C[C@@H]([NH2+]Cc1cnn(C)c1C1CC1)c1ccccc1[N+](=O)[O-] ZINC000893279825 618495114 /nfs/dbraw/zinc/49/51/14/618495114.db2.gz RNJRJHKSMXNPAA-LLVKDONJSA-N 1 1 300.362 3.057 20 5 DGBDMO O=[N+]([O-])c1cc(Cl)ccc1C[NH+]1CC(C2CCOCC2)C1 ZINC000894257143 618741647 /nfs/dbraw/zinc/74/16/47/618741647.db2.gz MZJDLZGFXUHMLK-UHFFFAOYSA-N 1 1 310.781 3.107 20 5 DGBDMO C[N@@H+](CCc1cccc([N+](=O)[O-])c1)Cc1ccnn1C1CCC1 ZINC000894270932 618747814 /nfs/dbraw/zinc/74/78/14/618747814.db2.gz BRQVJYRDUCTEDJ-UHFFFAOYSA-N 1 1 314.389 3.191 20 5 DGBDMO C[C@@H](Nc1nc(N2CCCC2)cc[nH+]1)c1ccc([N+](=O)[O-])cc1 ZINC000895667424 618815453 /nfs/dbraw/zinc/81/54/53/618815453.db2.gz NKQTWSYOXFGMNM-GFCCVEGCSA-N 1 1 313.361 3.158 20 5 DGBDMO O=[N+]([O-])c1ccc(C[N@H+]2CC[C@@H]([C@H]3CCCO3)C2)cc1Cl ZINC000895845736 618840757 /nfs/dbraw/zinc/84/07/57/618840757.db2.gz IDXYQPULVJVJDI-IUODEOHRSA-N 1 1 310.781 3.249 20 5 DGBDMO COc1cc([C@H](C)[NH2+][C@@H](CO)c2ccsc2)cc([N+](=O)[O-])c1 ZINC000903153315 619725825 /nfs/dbraw/zinc/72/58/25/619725825.db2.gz REZFDWJYPJPVIG-BONVTDFDSA-N 1 1 322.386 3.049 20 5 DGBDMO COc1cc([C@H](C)NC[C@H]2CC[N@@H+]2C(C)(C)C)cc([N+](=O)[O-])c1 ZINC000903196318 619734432 /nfs/dbraw/zinc/73/44/32/619734432.db2.gz MIXTZBCWUGQSNE-GXTWGEPZSA-N 1 1 321.421 3.127 20 5 DGBDMO COc1cc([C@H](C)NC[C@H]2CC[N@H+]2C(C)(C)C)cc([N+](=O)[O-])c1 ZINC000903196318 619734434 /nfs/dbraw/zinc/73/44/34/619734434.db2.gz MIXTZBCWUGQSNE-GXTWGEPZSA-N 1 1 321.421 3.127 20 5 DGBDMO C[C@@H](C[NH2+][C@@H]1CCCc2c[nH]nc21)c1ccccc1[N+](=O)[O-] ZINC000903246162 619743598 /nfs/dbraw/zinc/74/35/98/619743598.db2.gz RQFJWNFEJKRNQN-SMDDNHRTSA-N 1 1 300.362 3.089 20 5 DGBDMO C[C@H](c1ccccc1)[C@H]1CCC[N@H+]1Cn1nccc1[N+](=O)[O-] ZINC000905740599 620025052 /nfs/dbraw/zinc/02/50/52/620025052.db2.gz LAMQMCPHEFCORL-UKRRQHHQSA-N 1 1 300.362 3.017 20 5 DGBDMO Cc1nn(C)c(C[NH2+][C@H](C)c2ccc(C)c([N+](=O)[O-])c2)c1Cl ZINC000921817228 620953869 /nfs/dbraw/zinc/95/38/69/620953869.db2.gz KALKSRKZFLDBLG-SNVBAGLBSA-N 1 1 322.796 3.449 20 5 DGBDMO C[C@H]([NH2+]Cc1cnn(CC2CCC2)c1)c1ccccc1[N+](=O)[O-] ZINC000921966836 620974488 /nfs/dbraw/zinc/97/44/88/620974488.db2.gz OTMPZHALSGQLQE-ZDUSSCGKSA-N 1 1 314.389 3.442 20 5 DGBDMO CC[N@@H+](CCNc1ccc2cnccc2c1[N+](=O)[O-])C(C)C ZINC000858384579 621184266 /nfs/dbraw/zinc/18/42/66/621184266.db2.gz BTNKRDMILQLUHX-UHFFFAOYSA-N 1 1 302.378 3.285 20 5 DGBDMO CCC[C@@H](C)[N@@H+](C)CC(=O)Nc1cc(Cl)ccc1[N+](=O)[O-] ZINC000839462606 621372447 /nfs/dbraw/zinc/37/24/47/621372447.db2.gz NTYXAHABMOMUSE-SNVBAGLBSA-N 1 1 313.785 3.307 20 5 DGBDMO CC[N@@H+](CC(=O)Nc1cc(Cl)ccc1[N+](=O)[O-])C1CCC1 ZINC000839496390 621380587 /nfs/dbraw/zinc/38/05/87/621380587.db2.gz HAGRDRIQDFHKNF-UHFFFAOYSA-N 1 1 311.769 3.061 20 5 DGBDMO C[N@H+](CCc1nccs1)Cc1cc(Cl)ccc1[N+](=O)[O-] ZINC000753264727 621434358 /nfs/dbraw/zinc/43/43/58/621434358.db2.gz HCFLNSPLECFOFS-UHFFFAOYSA-N 1 1 311.794 3.379 20 5 DGBDMO C[N@@H+](CCc1nccs1)Cc1cc(Cl)ccc1[N+](=O)[O-] ZINC000753264727 621434361 /nfs/dbraw/zinc/43/43/61/621434361.db2.gz HCFLNSPLECFOFS-UHFFFAOYSA-N 1 1 311.794 3.379 20 5 DGBDMO CC(C)n1cc([C@@H](C)[NH2+]Cc2cc(F)ccc2[N+](=O)[O-])cn1 ZINC000754807273 621534199 /nfs/dbraw/zinc/53/41/99/621534199.db2.gz LTPSHVQBXOILFS-LLVKDONJSA-N 1 1 306.341 3.362 20 5 DGBDMO Cc1nn(C[N@H+]2CCS[C@@H](C)CC2)c2ccc([N+](=O)[O-])cc12 ZINC000754872596 621538716 /nfs/dbraw/zinc/53/87/16/621538716.db2.gz NHEBABVELWYCAG-NSHDSACASA-N 1 1 320.418 3.038 20 5 DGBDMO CC[C@@H]1CC[N@@H+](Cn2cc(-c3ccc([N+](=O)[O-])cc3)cn2)C1 ZINC000119457018 621673975 /nfs/dbraw/zinc/67/39/75/621673975.db2.gz VHSLCVKQGDWEEM-CYBMUJFWSA-N 1 1 300.362 3.148 20 5 DGBDMO NC(CCC(F)(F)F)=[NH+]OCc1ccc(F)cc1[N+](=O)[O-] ZINC000863491605 621677937 /nfs/dbraw/zinc/67/79/37/621677937.db2.gz SZQBDCSCXWOLHF-UHFFFAOYSA-N 1 1 309.219 3.075 20 5 DGBDMO CN(C)c1cccc(C[N@@H+]2CCc3c(cccc3[N+](=O)[O-])C2)c1 ZINC000757162796 621691013 /nfs/dbraw/zinc/69/10/13/621691013.db2.gz KXRIAOPPTZDREL-UHFFFAOYSA-N 1 1 311.385 3.219 20 5 DGBDMO CN(C)c1cccc(C[N@H+]2CCc3c(cccc3[N+](=O)[O-])C2)c1 ZINC000757162796 621691014 /nfs/dbraw/zinc/69/10/14/621691014.db2.gz KXRIAOPPTZDREL-UHFFFAOYSA-N 1 1 311.385 3.219 20 5 DGBDMO Cc1c(Cc2noc([C@@H]([NH3+])CCC(C)C)n2)cccc1[N+](=O)[O-] ZINC000863664242 621696977 /nfs/dbraw/zinc/69/69/77/621696977.db2.gz UWOAKWVKNPNIKM-ZDUSSCGKSA-N 1 1 318.377 3.313 20 5 DGBDMO C[C@H]1CC(C)(C)C[N@H+]1CCC(=O)Nc1cc([N+](=O)[O-])ccc1F ZINC000839658699 621704692 /nfs/dbraw/zinc/70/46/92/621704692.db2.gz RDLMPYCALSNHCC-NSHDSACASA-N 1 1 323.368 3.183 20 5 DGBDMO CC[N@H+](Cc1occc1C)C[C@@H](O)c1ccc([N+](=O)[O-])cc1 ZINC000839664008 621705990 /nfs/dbraw/zinc/70/59/90/621705990.db2.gz WOWCHUKSTOPJMB-OAHLLOKOSA-N 1 1 304.346 3.052 20 5 DGBDMO O=[N+]([O-])c1ccc(C[N@H+]2CC[C@@H](C3CCC3)C2)c([N+](=O)[O-])c1 ZINC000839680958 621711893 /nfs/dbraw/zinc/71/18/93/621711893.db2.gz POUXIGYVKQQSKK-GFCCVEGCSA-N 1 1 305.334 3.125 20 5 DGBDMO Cc1ccc(C)c(C[N@@H+](C)C[C@H](O)c2ccc([N+](=O)[O-])cc2)c1 ZINC000759629383 621877183 /nfs/dbraw/zinc/87/71/83/621877183.db2.gz BDPGBKWLNUOORA-SFHVURJKSA-N 1 1 314.385 3.377 20 5 DGBDMO Cc1cc(C)c(COc2cc(C=O)ccc2[N+](=O)[O-])c(C)[nH+]1 ZINC000865354203 621900367 /nfs/dbraw/zinc/90/03/67/621900367.db2.gz OGWAWAWRELJNOJ-UHFFFAOYSA-N 1 1 300.314 3.307 20 5 DGBDMO CC[C@]1(C)CC[N@@H+](Cn2nc(C)c3ccc([N+](=O)[O-])cc32)C1 ZINC000761294112 621999386 /nfs/dbraw/zinc/99/93/86/621999386.db2.gz VVEYSZWMCFOXJV-MRXNPFEDSA-N 1 1 302.378 3.332 20 5 DGBDMO Cc1nn(C[N@@H+]2C[C@@H](C)S[C@@H](C)C2)c2cc([N+](=O)[O-])ccc12 ZINC000121227005 622163679 /nfs/dbraw/zinc/16/36/79/622163679.db2.gz BUCPWQLUYVHGGP-PHIMTYICSA-N 1 1 320.418 3.036 20 5 DGBDMO Cc1nn(C[N@H+]2C[C@@H](C)S[C@@H](C)C2)c2cc([N+](=O)[O-])ccc12 ZINC000121227005 622163682 /nfs/dbraw/zinc/16/36/82/622163682.db2.gz BUCPWQLUYVHGGP-PHIMTYICSA-N 1 1 320.418 3.036 20 5 DGBDMO Cc1nn(C[N@@H+]2CCC[C@@H]2C(C)C)c2ccc([N+](=O)[O-])cc12 ZINC000764914628 622232469 /nfs/dbraw/zinc/23/24/69/622232469.db2.gz IVXVIXCXFFDUJZ-OAHLLOKOSA-N 1 1 302.378 3.331 20 5 DGBDMO Cc1c([C@@H](C)NC[C@H](C)[NH+]2CCCCC2)cccc1[N+](=O)[O-] ZINC000765253072 622253795 /nfs/dbraw/zinc/25/37/95/622253795.db2.gz KXKFHSPRKJUYNE-DZGCQCFKSA-N 1 1 305.422 3.428 20 5 DGBDMO CC[N@H+]1C[C@@H](C)N(c2nc3ccc([N+](=O)[O-])cc3s2)C[C@H]1C ZINC000765635911 622278972 /nfs/dbraw/zinc/27/89/72/622278972.db2.gz NWLGHJAXZCKPJW-GHMZBOCLSA-N 1 1 320.418 3.123 20 5 DGBDMO CCOc1ccc([C@H](C)NCC[N@@H+]2CCC[C@@H]2C)cc1[N+](=O)[O-] ZINC000768105045 622438677 /nfs/dbraw/zinc/43/86/77/622438677.db2.gz YYOXUCNUDLWTFN-KBPBESRZSA-N 1 1 321.421 3.128 20 5 DGBDMO CCOc1ccc([C@H](C)NCC[N@H+]2CCC[C@@H]2C)cc1[N+](=O)[O-] ZINC000768105045 622438679 /nfs/dbraw/zinc/43/86/79/622438679.db2.gz YYOXUCNUDLWTFN-KBPBESRZSA-N 1 1 321.421 3.128 20 5 DGBDMO CCC[C@@]1(CO)CCC[N@H+]1Cc1cc([N+](=O)[O-])ccc1Cl ZINC000769912574 622575383 /nfs/dbraw/zinc/57/53/83/622575383.db2.gz GKATUMKRAGGMAY-HNNXBMFYSA-N 1 1 312.797 3.375 20 5 DGBDMO CSc1ccc([N+](=O)[O-])cc1[C@@H](C)[NH2+]C[C@@H](C1CC1)N(C)C ZINC000872025621 622758581 /nfs/dbraw/zinc/75/85/81/622758581.db2.gz QENHOPVRSHPAJT-ABAIWWIYSA-N 1 1 323.462 3.308 20 5 DGBDMO CSc1ccc([N+](=O)[O-])cc1[C@@H](C)[NH2+]Cc1cc(C)nn1C ZINC000872071009 622788378 /nfs/dbraw/zinc/78/83/78/622788378.db2.gz YPCSHGDULFDKOQ-LLVKDONJSA-N 1 1 320.418 3.209 20 5 DGBDMO C[C@@H](N[C@@H]1CC[N@H+](C(C)(C)C)C1)c1c(F)cccc1[N+](=O)[O-] ZINC000872086435 622797411 /nfs/dbraw/zinc/79/74/11/622797411.db2.gz WONNJYPHRJGPPC-VXGBXAGGSA-N 1 1 309.385 3.257 20 5 DGBDMO Cc1ccc([N+](=O)[O-])cc1[C@H](C)[NH2+][C@@H](C)c1nccnc1C ZINC000872135869 622827649 /nfs/dbraw/zinc/82/76/49/622827649.db2.gz YLWZLHZTALBQGA-AAEUAGOBSA-N 1 1 300.362 3.413 20 5 DGBDMO CC1(C)[C@H]2[C@H](CCC[N@@H+]2Cc2ccc([N+](=O)[O-])cc2Cl)[C@@H]1O ZINC000872262045 622870960 /nfs/dbraw/zinc/87/09/60/622870960.db2.gz NSBWCECLPHDSMH-CFVMTHIKSA-N 1 1 324.808 3.230 20 5 DGBDMO CC1(C)[C@H]2[C@H](CCC[N@H+]2Cc2ccc([N+](=O)[O-])cc2Cl)[C@@H]1O ZINC000872262045 622870965 /nfs/dbraw/zinc/87/09/65/622870965.db2.gz NSBWCECLPHDSMH-CFVMTHIKSA-N 1 1 324.808 3.230 20 5 DGBDMO Cc1c(CNC[C@@H]2CC[N@@H+]2C2CCCC2)cccc1[N+](=O)[O-] ZINC000873148345 623050258 /nfs/dbraw/zinc/05/02/58/623050258.db2.gz LOTSQFURCOMBJR-INIZCTEOSA-N 1 1 303.406 3.010 20 5 DGBDMO Cc1c(CNC[C@@H]2CC[N@H+]2C2CCCC2)cccc1[N+](=O)[O-] ZINC000873148345 623050265 /nfs/dbraw/zinc/05/02/65/623050265.db2.gz LOTSQFURCOMBJR-INIZCTEOSA-N 1 1 303.406 3.010 20 5 DGBDMO CC(C)(C)[C@]1(C[NH3+])CCN(C/C=C\c2ccccc2[N+](=O)[O-])C1 ZINC000873222888 623079884 /nfs/dbraw/zinc/07/98/84/623079884.db2.gz DIKZVVOTCHZZNJ-POZKEBTKSA-N 1 1 317.433 3.305 20 5 DGBDMO CC(C)(C)[C@@]1(C[NH3+])CCN(C/C=C/c2ccccc2[N+](=O)[O-])C1 ZINC000873222887 623080095 /nfs/dbraw/zinc/08/00/95/623080095.db2.gz DIKZVVOTCHZZNJ-JHTBKMLMSA-N 1 1 317.433 3.305 20 5 DGBDMO CC1CC[NH+](Cn2ncc3cc([N+](=O)[O-])cc(Cl)c32)CC1 ZINC000774633889 623167901 /nfs/dbraw/zinc/16/79/01/623167901.db2.gz FNYSZQSCCVZPIW-UHFFFAOYSA-N 1 1 308.769 3.287 20 5 DGBDMO O=[N+]([O-])c1cc2cnn(C[N@H+]3CCC[C@H]3C3CC3)c2c(Cl)c1 ZINC000774628525 623168051 /nfs/dbraw/zinc/16/80/51/623168051.db2.gz XAZSNVXPYKQIRS-AWEZNQCLSA-N 1 1 320.780 3.430 20 5 DGBDMO CC[N@@H+](Cn1ncc2cc([N+](=O)[O-])cc(Cl)c21)C1CCC1 ZINC000774639404 623169543 /nfs/dbraw/zinc/16/95/43/623169543.db2.gz WDAKGCYHHQIUJD-UHFFFAOYSA-N 1 1 308.769 3.430 20 5 DGBDMO O=[N+]([O-])c1ccc([C@H](O)C[N@H+]2Cc3ccccc3C3(CC3)C2)cc1 ZINC000775870293 623344406 /nfs/dbraw/zinc/34/44/06/623344406.db2.gz CTDGQCOCIIKVER-GOSISDBHSA-N 1 1 324.380 3.176 20 5 DGBDMO C[N@@H+](C[C@H](O)c1ccc([N+](=O)[O-])cc1)[C@H]1CCc2ccccc21 ZINC000776276580 623405911 /nfs/dbraw/zinc/40/59/11/623405911.db2.gz NZYIOFZOVYIEHZ-ROUUACIJSA-N 1 1 312.369 3.248 20 5 DGBDMO O=[N+]([O-])c1ccc([C@H](O)C[N@H+]2CC[C@H](c3ccccc3)C2)cc1 ZINC000776578162 623441855 /nfs/dbraw/zinc/44/18/55/623441855.db2.gz DRTIXCGBOQJWIQ-FUHWJXTLSA-N 1 1 312.369 3.118 20 5 DGBDMO CCS[C@@H]1CCCC[N@@H+](C[C@H](O)c2ccc([N+](=O)[O-])cc2)C1 ZINC000776581689 623443012 /nfs/dbraw/zinc/44/30/12/623443012.db2.gz HMDPKIXXXJPWFD-CVEARBPZSA-N 1 1 324.446 3.236 20 5 DGBDMO CCS[C@@H]1CC[C@H]([N@@H+](C)C[C@H](O)c2ccc([N+](=O)[O-])cc2)C1 ZINC000776588100 623444462 /nfs/dbraw/zinc/44/44/62/623444462.db2.gz KQMDSLLSTAVINM-XHSDSOJGSA-N 1 1 324.446 3.234 20 5 DGBDMO CC[N@@H+](CC(C)C)Cn1cc(-c2cccc([N+](=O)[O-])c2)cn1 ZINC000777954078 623589747 /nfs/dbraw/zinc/58/97/47/623589747.db2.gz APGIBZMKALPAJM-UHFFFAOYSA-N 1 1 302.378 3.394 20 5 DGBDMO C[C@H](C(=O)O[C@@H](C)c1ccccc1[N+](=O)[O-])[NH+]1CCCCCC1 ZINC000778613148 623676873 /nfs/dbraw/zinc/67/68/73/623676873.db2.gz ALFMQFBFGUEXTO-KGLIPLIRSA-N 1 1 320.389 3.464 20 5 DGBDMO Cn1cc(C[N@H+]2CCC[C@@H](c3ccccc3)CC2)c([N+](=O)[O-])n1 ZINC000876682801 623681543 /nfs/dbraw/zinc/68/15/43/623681543.db2.gz OLTOZRDOWYHKGO-OAHLLOKOSA-N 1 1 314.389 3.098 20 5 DGBDMO CCOC[C@@H]1CCC[N@@H+](Cc2c(C)ccc([N+](=O)[O-])c2C)C1 ZINC000876738326 623693453 /nfs/dbraw/zinc/69/34/53/623693453.db2.gz AXYPTSCQLVNPAF-OAHLLOKOSA-N 1 1 306.406 3.460 20 5 DGBDMO C[C@H]1COCC[N@H+](Cc2ccc(C(F)(F)F)cc2[N+](=O)[O-])C1 ZINC000876752359 623697957 /nfs/dbraw/zinc/69/79/57/623697957.db2.gz MSRTYOINAPPZCA-SNVBAGLBSA-N 1 1 318.295 3.082 20 5 DGBDMO C[C@H]1COCC[N@@H+](Cc2ccc(C(F)(F)F)cc2[N+](=O)[O-])C1 ZINC000876752359 623697960 /nfs/dbraw/zinc/69/79/60/623697960.db2.gz MSRTYOINAPPZCA-SNVBAGLBSA-N 1 1 318.295 3.082 20 5 DGBDMO Cc1c(CN[C@H](CC[NH+](C)C)C(C)(C)C)cccc1[N+](=O)[O-] ZINC000779197864 623740851 /nfs/dbraw/zinc/74/08/51/623740851.db2.gz MNCPFAUCVPVBQS-MRXNPFEDSA-N 1 1 307.438 3.359 20 5 DGBDMO Cc1c(C[N@H+]2CC3(CCOCC3)[C@H]2C2CC2)cccc1[N+](=O)[O-] ZINC000877553489 623939681 /nfs/dbraw/zinc/93/96/81/623939681.db2.gz TZCPHJIHBISIIV-QGZVFWFLSA-N 1 1 316.401 3.294 20 5 DGBDMO Cc1csc([C@@H]2CC[N@H+](Cc3csc([N+](=O)[O-])c3)C2)n1 ZINC000877813308 624044764 /nfs/dbraw/zinc/04/47/64/624044764.db2.gz KTRQHFNOJDWVHW-LLVKDONJSA-N 1 1 309.416 3.411 20 5 DGBDMO Cc1csc([C@@H]2CC[N@@H+](Cc3csc([N+](=O)[O-])c3)C2)n1 ZINC000877813308 624044767 /nfs/dbraw/zinc/04/47/67/624044767.db2.gz KTRQHFNOJDWVHW-LLVKDONJSA-N 1 1 309.416 3.411 20 5 DGBDMO Cc1ccccc1[C@H](CO)[NH2+]Cc1cc(Cl)ccc1[N+](=O)[O-] ZINC000782083691 624200718 /nfs/dbraw/zinc/20/07/18/624200718.db2.gz SFYSLXFGZYUQFS-HNNXBMFYSA-N 1 1 320.776 3.380 20 5 DGBDMO CC[C@]1(C)CC[N@@H+](Cc2nnc(-c3ccccc3[N+](=O)[O-])o2)C1 ZINC000878188374 624206993 /nfs/dbraw/zinc/20/69/93/624206993.db2.gz OQLOSJHVXCLICP-MRXNPFEDSA-N 1 1 316.361 3.267 20 5 DGBDMO CC[C@@H]1[C@@H](C)CC[N@H+]1Cc1nnc(-c2ccccc2[N+](=O)[O-])o1 ZINC000878453335 624281662 /nfs/dbraw/zinc/28/16/62/624281662.db2.gz RTPKSECIVOQMCB-WCQYABFASA-N 1 1 316.361 3.265 20 5 DGBDMO C[N@@H+](CCc1cccc([N+](=O)[O-])c1)C[C@@H]1C[C@H]2CCC[C@@H]2O1 ZINC000878565134 624309338 /nfs/dbraw/zinc/30/93/38/624309338.db2.gz FYEKHIXZDXFGKC-PVAVHDDUSA-N 1 1 304.390 3.027 20 5 DGBDMO Cc1ncc([N+](=O)[O-])n1CC[N@H+]1C[C@H](C)C[C@H]1c1ccccc1 ZINC000878612599 624321925 /nfs/dbraw/zinc/32/19/25/624321925.db2.gz RNZHGJQPPCIHBA-CJNGLKHVSA-N 1 1 314.389 3.183 20 5 DGBDMO CO[C@H]1C[C@@H](C[N@H+]2CCC[C@H](c3ccc([N+](=O)[O-])cc3)C2)C1 ZINC000878679304 624338484 /nfs/dbraw/zinc/33/84/84/624338484.db2.gz YUJRGFIZSZHUMV-JLJPHGGASA-N 1 1 304.390 3.199 20 5 DGBDMO O=[N+]([O-])c1ccc(C[N@H+]2CC[C@H]([C@H]3CCOC3)C2)cc1Cl ZINC000783572573 624368253 /nfs/dbraw/zinc/36/82/53/624368253.db2.gz KAZOKKYQQHIEMU-STQMWFEESA-N 1 1 310.781 3.107 20 5 DGBDMO Cc1nn(C[N@@H+](C)C[C@H]2CC=CCC2)c2cc([N+](=O)[O-])ccc12 ZINC000784014681 624421388 /nfs/dbraw/zinc/42/13/88/624421388.db2.gz NJMYWWKPJAGQBR-AWEZNQCLSA-N 1 1 314.389 3.499 20 5 DGBDMO C[N@@H+](C[C@@H]1CC=CCC1)Cn1ncc2cc([N+](=O)[O-])ccc21 ZINC000784013714 624421488 /nfs/dbraw/zinc/42/14/88/624421488.db2.gz JEJMQTFRCWHCLY-CYBMUJFWSA-N 1 1 300.362 3.190 20 5 DGBDMO CC(C)(C)[C@@H]1CC[N@@H+](Cn2ncc3ccc([N+](=O)[O-])cc32)C1 ZINC000784034513 624425935 /nfs/dbraw/zinc/42/59/35/624425935.db2.gz KRCGRJYARQDCFQ-CYBMUJFWSA-N 1 1 302.378 3.270 20 5 DGBDMO O=[N+]([O-])c1cc(C[N@@H+]2CC[C@H](O)[C@@H]3CCCC[C@H]32)ccc1Cl ZINC000879418391 624540950 /nfs/dbraw/zinc/54/09/50/624540950.db2.gz HKSALSNBPQSKCT-XPKDYRNWSA-N 1 1 324.808 3.374 20 5 DGBDMO O=[N+]([O-])c1cc(C[N@@H+]2CC[C@H](O)[C@@H]3CCCC[C@@H]32)ccc1Cl ZINC000879418386 624540964 /nfs/dbraw/zinc/54/09/64/624540964.db2.gz HKSALSNBPQSKCT-INWMFGNUSA-N 1 1 324.808 3.374 20 5 DGBDMO COC(=O)CC[C@@H]1CCC[N@H+]([C@@H](C)c2cccc([N+](=O)[O-])c2)C1 ZINC000880037282 624763037 /nfs/dbraw/zinc/76/30/37/624763037.db2.gz HZMOIKQPNJHEMM-KBPBESRZSA-N 1 1 320.389 3.321 20 5 DGBDMO CO[C@@]1(C(F)(F)F)CC[N@@H+]([C@H](C)c2ccccc2[N+](=O)[O-])C1 ZINC000880302358 624904194 /nfs/dbraw/zinc/90/41/94/624904194.db2.gz FMKQVQCBAYWZRN-MFKMUULPSA-N 1 1 318.295 3.309 20 5 DGBDMO CO[C@@]1(C(F)(F)F)CC[N@H+]([C@H](C)c2ccccc2[N+](=O)[O-])C1 ZINC000880302358 624904196 /nfs/dbraw/zinc/90/41/96/624904196.db2.gz FMKQVQCBAYWZRN-MFKMUULPSA-N 1 1 318.295 3.309 20 5 DGBDMO COc1ccc(C[N@H+]2CC[C@H](c3nccs3)C2)cc1[N+](=O)[O-] ZINC000880315902 624912336 /nfs/dbraw/zinc/91/23/36/624912336.db2.gz AVRXSZVOPIQSOT-LBPRGKRZSA-N 1 1 319.386 3.049 20 5 DGBDMO O=[N+]([O-])c1ccc(F)cc1C[N@H+]1CC[C@@H](c2nccs2)C1 ZINC000880316780 624914525 /nfs/dbraw/zinc/91/45/25/624914525.db2.gz LAPMGZDCTLBTAP-SNVBAGLBSA-N 1 1 307.350 3.180 20 5 DGBDMO O=[N+]([O-])c1cc(F)ccc1C[N@H+]1CC[C@H](c2nccs2)C1 ZINC000880323917 624917913 /nfs/dbraw/zinc/91/79/13/624917913.db2.gz WXTLEHJCVNVXAH-NSHDSACASA-N 1 1 307.350 3.180 20 5 DGBDMO C[N@@H+](C[C@H](O)c1ccc([N+](=O)[O-])cc1)C1CCC(F)(F)CC1 ZINC000805839437 625013528 /nfs/dbraw/zinc/01/35/28/625013528.db2.gz JOXLKGVLKLCUGZ-AWEZNQCLSA-N 1 1 314.332 3.138 20 5 DGBDMO CC1(C)CCC[N@@H+](CCC(=O)Nc2cc([N+](=O)[O-])ccc2F)C1 ZINC000128632235 625058512 /nfs/dbraw/zinc/05/85/12/625058512.db2.gz VJUXYQJAXDGZTK-UHFFFAOYSA-N 1 1 323.368 3.185 20 5 DGBDMO C[N@@H+](CCOc1ccccc1F)Cc1ccc([N+](=O)[O-])c(F)c1 ZINC000788471518 625187967 /nfs/dbraw/zinc/18/79/67/625187967.db2.gz WLTCMYMJCYNIGU-UHFFFAOYSA-N 1 1 322.311 3.384 20 5 DGBDMO C[C@@H](Nc1ccc2c(c1)[nH+]cn2C)c1ccc(N)c([N+](=O)[O-])c1 ZINC000788729770 625252252 /nfs/dbraw/zinc/25/22/52/625252252.db2.gz MTUGOGXQUGFXAC-SNVBAGLBSA-N 1 1 311.345 3.237 20 5 DGBDMO C[N@@H+](CCc1ccccc1[N+](=O)[O-])C[C@@H]1CC1(Cl)Cl ZINC000796113163 626022864 /nfs/dbraw/zinc/02/28/64/626022864.db2.gz MMDFAVMWXKIQLF-NSHDSACASA-N 1 1 303.189 3.263 20 5 DGBDMO O=[N+]([O-])c1ccc([C@@H](O)C[N@H+]2CCC=C(c3ccco3)C2)cc1 ZINC000796119725 626023850 /nfs/dbraw/zinc/02/38/50/626023850.db2.gz CENZEWLJGUCGEN-INIZCTEOSA-N 1 1 314.341 3.011 20 5 DGBDMO Cc1nn(C[N@H+]2CC(C)=C[C@@H](C)C2)c2ccc([N+](=O)[O-])cc12 ZINC000797417145 626141319 /nfs/dbraw/zinc/14/13/19/626141319.db2.gz MTXGOUOUVLYFDU-LLVKDONJSA-N 1 1 300.362 3.108 20 5 DGBDMO O=[N+]([O-])c1ccc(Cl)c(C[NH+]2CC(C3CCOCC3)C2)c1 ZINC000800532282 626366344 /nfs/dbraw/zinc/36/63/44/626366344.db2.gz UBUWPSSBIXNZDS-UHFFFAOYSA-N 1 1 310.781 3.107 20 5 DGBDMO C[C@@H]1CC[C@H](C)[N@@H+]1[C@H]1CCCN(c2cc(N)ccc2[N+](=O)[O-])C1 ZINC000800846613 626378644 /nfs/dbraw/zinc/37/86/44/626378644.db2.gz PTMJFDAWPXFOPC-GUTXKFCHSA-N 1 1 318.421 3.019 20 5 DGBDMO CN(CC[N@@H+](C)Cc1ccc([N+](=O)[O-])c(F)c1)c1ccccc1 ZINC000801516583 626407072 /nfs/dbraw/zinc/40/70/72/626407072.db2.gz NUFSAMZGZPJLJP-UHFFFAOYSA-N 1 1 317.364 3.302 20 5 DGBDMO CC(C)C[C@]1(CO)CCC[N@H+]1Cc1ccc([N+](=O)[O-])c(F)c1 ZINC000801548283 626409338 /nfs/dbraw/zinc/40/93/38/626409338.db2.gz QYDRPYBMUCHIMZ-INIZCTEOSA-N 1 1 310.369 3.107 20 5 DGBDMO CC(C)c1cnc(C[N@H+](C)CCc2cccc([N+](=O)[O-])c2)o1 ZINC000801601218 626411760 /nfs/dbraw/zinc/41/17/60/626411760.db2.gz CNQPBDVSYRNFFF-UHFFFAOYSA-N 1 1 303.362 3.381 20 5 DGBDMO CC(C)c1cnc(C[N@@H+](C)CCc2cccc([N+](=O)[O-])c2)o1 ZINC000801601218 626411763 /nfs/dbraw/zinc/41/17/63/626411763.db2.gz CNQPBDVSYRNFFF-UHFFFAOYSA-N 1 1 303.362 3.381 20 5 DGBDMO C[C@@H](CNc1c([N+](=O)[O-])cccc1[N+](=O)[O-])[N@H+]1CCCC[C@@H]1C ZINC000804349633 626672394 /nfs/dbraw/zinc/67/23/94/626672394.db2.gz PAEVRPLYROTXMD-RYUDHWBXSA-N 1 1 322.365 3.178 20 5 DGBDMO C[C@@H](C[N@H+]1CCC[C@H](C)C1)Nc1c([N+](=O)[O-])cccc1[N+](=O)[O-] ZINC000804372050 626674241 /nfs/dbraw/zinc/67/42/41/626674241.db2.gz HYVPBHPMUMNDOQ-RYUDHWBXSA-N 1 1 322.365 3.035 20 5 DGBDMO CC(=O)c1cc([N+](=O)[O-])ccc1N(C)CC[C@H]1CCCC[N@H+]1C ZINC000804506858 626688524 /nfs/dbraw/zinc/68/85/24/626688524.db2.gz QASFZAJJHIPOGP-CQSZACIVSA-N 1 1 319.405 3.108 20 5 DGBDMO C[N@H+]1CCC[C@@H]2CN(c3cc(Cl)ccc3[N+](=O)[O-])CC[C@H]21 ZINC000804557097 626692883 /nfs/dbraw/zinc/69/28/83/626692883.db2.gz LBGJPOCGGPBUFC-DGCLKSJQSA-N 1 1 309.797 3.169 20 5 DGBDMO CC(=O)c1ccc([N+](=O)[O-])cc1NC[C@@H](C)[N@H+]1CCC[C@@H](C)C1 ZINC000807925227 626778112 /nfs/dbraw/zinc/77/81/12/626778112.db2.gz BREYCPWIGZAENZ-CHWSQXEVSA-N 1 1 319.405 3.330 20 5 DGBDMO Cc1nn(C[N@H+]2CCC[C@H](C3CC3)C2)c2cc([N+](=O)[O-])ccc12 ZINC000808229705 626807350 /nfs/dbraw/zinc/80/73/50/626807350.db2.gz CCRKWPXDFWROMI-AWEZNQCLSA-N 1 1 314.389 3.332 20 5 DGBDMO O=[N+]([O-])c1ccc2[nH+]ccc(NCc3cc(C4CC4)no3)c2c1 ZINC000884636440 626917240 /nfs/dbraw/zinc/91/72/40/626917240.db2.gz DJFJADDWSOJQMJ-UHFFFAOYSA-N 1 1 310.313 3.042 20 5 DGBDMO O=[N+]([O-])c1ncccc1C[N@H+]1CC[C@@H](c2ccccc2F)C1 ZINC000886002189 627080667 /nfs/dbraw/zinc/08/06/67/627080667.db2.gz SOJVNTOCHKDJAD-GFCCVEGCSA-N 1 1 301.321 3.118 20 5 DGBDMO COc1ccccc1C[C@@H](C)[N@@H+](C)Cc1cccnc1[N+](=O)[O-] ZINC000886024068 627086917 /nfs/dbraw/zinc/08/69/17/627086917.db2.gz YGCYHHPCANTOSX-CYBMUJFWSA-N 1 1 315.373 3.061 20 5 DGBDMO O=[N+]([O-])c1cccc([C@H](O)C[N@H+]2CCC[C@@H]2C2CCCC2)c1 ZINC000137008684 627105043 /nfs/dbraw/zinc/10/50/43/627105043.db2.gz XMFSMHUWUIJPEL-IAGOWNOFSA-N 1 1 304.390 3.283 20 5 DGBDMO C[C@H]([NH2+]Cc1cccnc1[N+](=O)[O-])c1ccccc1OC(F)F ZINC000886106673 627106197 /nfs/dbraw/zinc/10/61/97/627106197.db2.gz AFGBJZFJLRIKTQ-JTQLQIEISA-N 1 1 323.299 3.442 20 5 DGBDMO Cc1ccccc1[C@H](CO)[N@@H+](C)Cc1cccc([N+](=O)[O-])c1 ZINC000886431858 627148265 /nfs/dbraw/zinc/14/82/65/627148265.db2.gz ITOSKJKWCDHJFU-KRWDZBQOSA-N 1 1 300.358 3.069 20 5 DGBDMO CC(C)Oc1ccc([N+](=O)[O-])cc1C[N@H+]1C[C@@H]2CSC[C@@H]2C1 ZINC000886560100 627163597 /nfs/dbraw/zinc/16/35/97/627163597.db2.gz NIWSWAQRHHGHSS-OKILXGFUSA-N 1 1 322.430 3.177 20 5 DGBDMO C[C@@H](c1ccccc1[N+](=O)[O-])[N@H+]1CCC[C@@H](c2ncccn2)C1 ZINC000886680693 627188313 /nfs/dbraw/zinc/18/83/13/627188313.db2.gz JYMDJRZEVZEBDN-UONOGXRCSA-N 1 1 312.373 3.325 20 5 DGBDMO C[N@@H+]1CCC[C@H](NCc2cc(Cl)cc(Cl)c2[N+](=O)[O-])C1 ZINC000811475803 627279162 /nfs/dbraw/zinc/27/91/62/627279162.db2.gz VBFMQPLYDKYKPQ-NSHDSACASA-N 1 1 318.204 3.085 20 5 DGBDMO C[N@H+]1CCC[C@H](NCc2cc(Cl)cc(Cl)c2[N+](=O)[O-])C1 ZINC000811475803 627279166 /nfs/dbraw/zinc/27/91/66/627279166.db2.gz VBFMQPLYDKYKPQ-NSHDSACASA-N 1 1 318.204 3.085 20 5 DGBDMO CC[C@H](C)CC(=O)O[C@H]1CC[N@H+](Cc2cccc([N+](=O)[O-])c2)C1 ZINC000813174431 627462093 /nfs/dbraw/zinc/46/20/93/627462093.db2.gz SMWTVYUQSUJUTM-BBRMVZONSA-N 1 1 320.389 3.149 20 5 DGBDMO CC[C@H](C)CC(=O)O[C@H]1CC[N@@H+](Cc2cccc([N+](=O)[O-])c2)C1 ZINC000813174431 627462096 /nfs/dbraw/zinc/46/20/96/627462096.db2.gz SMWTVYUQSUJUTM-BBRMVZONSA-N 1 1 320.389 3.149 20 5 DGBDMO O=[N+]([O-])c1ccc(C[N@@H+]2CCOC[C@H](C3CCC3)C2)cc1Cl ZINC000814178371 627547573 /nfs/dbraw/zinc/54/75/73/627547573.db2.gz NGIRSTNXNOUCIQ-CQSZACIVSA-N 1 1 324.808 3.497 20 5 DGBDMO O=[N+]([O-])c1ccc(C[N@H+]2CCOC[C@H](C3CCC3)C2)cc1Cl ZINC000814178371 627547575 /nfs/dbraw/zinc/54/75/75/627547575.db2.gz NGIRSTNXNOUCIQ-CQSZACIVSA-N 1 1 324.808 3.497 20 5 DGBDMO Cc1nn(C[N@H+]2CCC[C@H](c3ccccc3)C2)c(C)c1[N+](=O)[O-] ZINC000814224537 627552503 /nfs/dbraw/zinc/55/25/03/627552503.db2.gz IZOJGBQDHPNXCQ-INIZCTEOSA-N 1 1 314.389 3.245 20 5 DGBDMO Cc1c(-c2noc([C@H]3CCC[N@@H+]3C(C)C)n2)cccc1[N+](=O)[O-] ZINC000924093573 627601537 /nfs/dbraw/zinc/60/15/37/627601537.db2.gz TZMCLMGLELKCSH-CQSZACIVSA-N 1 1 316.361 3.499 20 5 DGBDMO COc1ccc([N+](=O)[O-])cc1C[NH2+][C@@H](C)c1cc(O)cc(F)c1 ZINC000924953955 627696940 /nfs/dbraw/zinc/69/69/40/627696940.db2.gz GNVRARMEDRCQED-JTQLQIEISA-N 1 1 320.320 3.299 20 5 DGBDMO CC1(C)C[C@H](c2ccccc2)[N@H+](Cn2cc([N+](=O)[O-])cn2)C1 ZINC000819900648 628197118 /nfs/dbraw/zinc/19/71/18/628197118.db2.gz HRSZLYZOANKCKQ-OAHLLOKOSA-N 1 1 300.362 3.222 20 5 DGBDMO CC1(C)C[C@H](c2ccccc2)[N@@H+](Cn2cc([N+](=O)[O-])cn2)C1 ZINC000819900648 628197120 /nfs/dbraw/zinc/19/71/20/628197120.db2.gz HRSZLYZOANKCKQ-OAHLLOKOSA-N 1 1 300.362 3.222 20 5 DGBDMO C[N@H+](CCSc1ccncc1)Cc1ccccc1[N+](=O)[O-] ZINC000929165313 628218672 /nfs/dbraw/zinc/21/86/72/628218672.db2.gz RDHZJTOOTWJSJS-UHFFFAOYSA-N 1 1 303.387 3.214 20 5 DGBDMO C[N@@H+](CCSc1ccncc1)Cc1ccccc1[N+](=O)[O-] ZINC000929165313 628218674 /nfs/dbraw/zinc/21/86/74/628218674.db2.gz RDHZJTOOTWJSJS-UHFFFAOYSA-N 1 1 303.387 3.214 20 5 DGBDMO C[C@@H](c1ccccc1[N+](=O)[O-])[N@@H+](C)C[C@](C)(O)c1ccccc1 ZINC000823591741 628577960 /nfs/dbraw/zinc/57/79/60/628577960.db2.gz MZSZHURAWQWKLO-KSSFIOAISA-N 1 1 314.385 3.495 20 5 DGBDMO O=[N+]([O-])c1ccc(Cl)c(C[N@@H+]2CCC[C@]3(CCOC3)C2)c1 ZINC000825133658 628731344 /nfs/dbraw/zinc/73/13/44/628731344.db2.gz KDFBKQNOSDRANB-HNNXBMFYSA-N 1 1 310.781 3.251 20 5 DGBDMO O=[N+]([O-])c1ccc(Cl)c(C[N@H+]2CCC[C@]3(CCOC3)C2)c1 ZINC000825133658 628731346 /nfs/dbraw/zinc/73/13/46/628731346.db2.gz KDFBKQNOSDRANB-HNNXBMFYSA-N 1 1 310.781 3.251 20 5 DGBDMO CC1(C)CCC[N@H+]1CCNCc1cc(Cl)ccc1[N+](=O)[O-] ZINC000825326493 628749748 /nfs/dbraw/zinc/74/97/48/628749748.db2.gz MZNVCEJTIAFUKZ-UHFFFAOYSA-N 1 1 311.813 3.212 20 5 DGBDMO C[N@@H+]1CC[C@@H]2CN(c3c(Cl)cc([N+](=O)[O-])cc3Cl)C[C@@H]21 ZINC000828987892 629117377 /nfs/dbraw/zinc/11/73/77/629117377.db2.gz NMRVWSDQMBEQGT-PELKAZGASA-N 1 1 316.188 3.042 20 5 DGBDMO C[N@H+]1CC[C@@H]2CN(c3c(Cl)cc([N+](=O)[O-])cc3Cl)C[C@@H]21 ZINC000828987892 629117379 /nfs/dbraw/zinc/11/73/79/629117379.db2.gz NMRVWSDQMBEQGT-PELKAZGASA-N 1 1 316.188 3.042 20 5 DGBDMO CO[C@@H]1C[C@@H]([N@@H+](C)Cc2cc(F)ccc2[N+](=O)[O-])C12CCC2 ZINC000832204877 629450265 /nfs/dbraw/zinc/45/02/65/629450265.db2.gz UHYVIGOTMGSCDY-HUUCEWRRSA-N 1 1 308.353 3.123 20 5 DGBDMO CC(C)(C)C[C@H]1CC[N@@H+](C[C@@H](O)c2cccc([N+](=O)[O-])c2)C1 ZINC000832727635 629508440 /nfs/dbraw/zinc/50/84/40/629508440.db2.gz VKCNPQUZHKZYQG-CZUORRHYSA-N 1 1 306.406 3.386 20 5 DGBDMO O=[N+]([O-])c1ccc2cnn(C[N@H+]3CCC[C@H]3C3CCC3)c2c1 ZINC000102885997 630303098 /nfs/dbraw/zinc/30/30/98/630303098.db2.gz KUVNSOCOBMVJEQ-HNNXBMFYSA-N 1 1 300.362 3.167 20 5 DGBDMO O=[N+]([O-])c1ccc2c(c1)[C@H]([NH2+][C@@H]1CCn3ccnc31)CCCC2 ZINC000841753257 630462446 /nfs/dbraw/zinc/46/24/46/630462446.db2.gz FTBXSOXQYYWPCF-HZPDHXFCSA-N 1 1 312.373 3.293 20 5 DGBDMO O=[N+]([O-])c1ccc(C[N@H+]2CCSC[C@H]2C2CCC2)cc1F ZINC000842171436 630501866 /nfs/dbraw/zinc/50/18/66/630501866.db2.gz RCYRQVKGOWPNRS-HNNXBMFYSA-N 1 1 310.394 3.451 20 5 DGBDMO Cc1cc([N+](=O)[O-])ccc1C(=O)OC[C@@H]1CCC[N@H+](C(C)C)C1 ZINC000842832177 630581790 /nfs/dbraw/zinc/58/17/90/630581790.db2.gz AFCCRVSCNDBDTI-CQSZACIVSA-N 1 1 320.389 3.180 20 5 DGBDMO CC(C)[C@H]1[N@@H+](C[C@H](O)c2ccc([N+](=O)[O-])cc2)CC12CC=CC2 ZINC000843297877 630643554 /nfs/dbraw/zinc/64/35/54/630643554.db2.gz WERIOEWXELYNNF-DLBZAZTESA-N 1 1 316.401 3.305 20 5 DGBDMO C[C@H](CO)C1CC[NH+](Cc2cc([N+](=O)[O-])ccc2Cl)CC1 ZINC000844419418 630727339 /nfs/dbraw/zinc/72/73/39/630727339.db2.gz MHKHVSJBOYHWGM-LLVKDONJSA-N 1 1 312.797 3.089 20 5 DGBDMO CCOC(C[N@H+](CC)[C@@H](C)c1ccccc1[N+](=O)[O-])OCC ZINC000846969450 631368971 /nfs/dbraw/zinc/36/89/71/631368971.db2.gz HKYIHPWFCKASLK-ZDUSSCGKSA-N 1 1 310.394 3.377 20 5 DGBDMO CCOC(C[N@@H+](CC)[C@@H](C)c1ccccc1[N+](=O)[O-])OCC ZINC000846969450 631368975 /nfs/dbraw/zinc/36/89/75/631368975.db2.gz HKYIHPWFCKASLK-ZDUSSCGKSA-N 1 1 310.394 3.377 20 5 DGBDMO CC[N@@H+](Cn1cc(-c2ccccc2[N+](=O)[O-])cn1)C1CCC1 ZINC000848478356 631667438 /nfs/dbraw/zinc/66/74/38/631667438.db2.gz GPPXCTNCTAGNGH-UHFFFAOYSA-N 1 1 300.362 3.290 20 5 DGBDMO CC(C)[C@@H](C)[N@@H+](C)Cn1cc(-c2ccccc2[N+](=O)[O-])cn1 ZINC000848474821 631667579 /nfs/dbraw/zinc/66/75/79/631667579.db2.gz IZXBSILNORUZQV-CYBMUJFWSA-N 1 1 302.378 3.392 20 5 DGBDMO C[N@@H+](Cn1cc(-c2ccccc2[N+](=O)[O-])cn1)CC(C)(C)C ZINC000848477981 631667987 /nfs/dbraw/zinc/66/79/87/631667987.db2.gz ADXCCVAENNHSBO-UHFFFAOYSA-N 1 1 302.378 3.394 20 5 DGBDMO COc1cc(F)c([N+](=O)[O-])c(N[C@H]2CCC[N@H+]3CCCC[C@@H]23)c1 ZINC000848783986 631748367 /nfs/dbraw/zinc/74/83/67/631748367.db2.gz JLZRCSQCKDFWDP-ZFWWWQNUSA-N 1 1 323.368 3.171 20 5 DGBDMO CC(C)(C)[N@H+]1CC[C@@H]1CNCc1cc([N+](=O)[O-])ccc1Cl ZINC000850341753 632117972 /nfs/dbraw/zinc/11/79/72/632117972.db2.gz AGMNCENWSWZSEF-CYBMUJFWSA-N 1 1 311.813 3.211 20 5 DGBDMO CC(C)(C)N1CC[C@@H]1C[NH2+]Cc1cc([N+](=O)[O-])ccc1Cl ZINC000850341753 632117975 /nfs/dbraw/zinc/11/79/75/632117975.db2.gz AGMNCENWSWZSEF-CYBMUJFWSA-N 1 1 311.813 3.211 20 5 DGBDMO Cc1noc(C[N@H+]2C[C@H](C)C[C@H]2c2ccccc2)c1[N+](=O)[O-] ZINC000852047327 632544563 /nfs/dbraw/zinc/54/45/63/632544563.db2.gz ZQLAVZZCVCLBTK-RISCZKNCSA-N 1 1 301.346 3.474 20 5 DGBDMO C[N@H+]1CC[C@]2(C1)CCCN(Cc1ccc(Cl)c([N+](=O)[O-])c1)C2 ZINC000852106271 632556505 /nfs/dbraw/zinc/55/65/05/632556505.db2.gz VXIAYDNXIOLYJS-INIZCTEOSA-N 1 1 323.824 3.166 20 5 DGBDMO O=[N+]([O-])c1cc(F)ccc1C[N@@H+]1CCC[C@@]2(CC2(F)F)C1 ZINC000852213652 632572319 /nfs/dbraw/zinc/57/23/19/632572319.db2.gz NNBVVFYEPFAYOG-CYBMUJFWSA-N 1 1 300.280 3.355 20 5 DGBDMO O=[N+]([O-])c1cc(F)ccc1C[N@H+]1CCC[C@@]2(CC2(F)F)C1 ZINC000852213652 632572322 /nfs/dbraw/zinc/57/23/22/632572322.db2.gz NNBVVFYEPFAYOG-CYBMUJFWSA-N 1 1 300.280 3.355 20 5 DGBDMO Cc1nn(C[N@H+](C)[C@H]2CCC(C)(C)C2)c2ncc([N+](=O)[O-])cc12 ZINC000794686753 661098467 /nfs/dbraw/zinc/09/84/67/661098467.db2.gz QKPHGVDCFPZSQF-LBPRGKRZSA-N 1 1 317.393 3.116 20 5 DGBDMO CCC(=O)c1ccc(N2C[C@H](C)[N@@H+](CC)C[C@@H]2C)c([N+](=O)[O-])c1 ZINC000795120456 661127588 /nfs/dbraw/zinc/12/75/88/661127588.db2.gz QPGQRSRJDGYNQF-STQMWFEESA-N 1 1 319.405 3.106 20 5 DGBDMO CCC(=O)c1ccc(N2C[C@H](C)[N@H+](CC)C[C@@H]2C)c([N+](=O)[O-])c1 ZINC000795120456 661127586 /nfs/dbraw/zinc/12/75/86/661127586.db2.gz QPGQRSRJDGYNQF-STQMWFEESA-N 1 1 319.405 3.106 20 5 DGBDMO O=[N+]([O-])c1ccc2c(cnn2C[N@@H+]2CCC=C(c3ccco3)C2)c1 ZINC000795651945 661165576 /nfs/dbraw/zinc/16/55/76/661165576.db2.gz UFWQDAVBCCBNKT-UHFFFAOYSA-N 1 1 324.340 3.284 20 5 DGBDMO O=[N+]([O-])c1ccc2c(cnn2C[N@H+]2CCC=C(c3ccco3)C2)c1 ZINC000795651945 661165577 /nfs/dbraw/zinc/16/55/77/661165577.db2.gz UFWQDAVBCCBNKT-UHFFFAOYSA-N 1 1 324.340 3.284 20 5 DGBDMO O=[N+]([O-])c1ccc(N2CC[NH+](Cc3ccc(F)cc3)CC2)cc1 ZINC000014195212 655754480 /nfs/dbraw/zinc/75/44/80/655754480.db2.gz BSKYQOQEHBOTIZ-UHFFFAOYSA-N 1 1 315.348 3.056 20 5 DGBDMO O=[N+]([O-])c1cccc(F)c1C[N@@H+]1CC[C@@H](Cc2nccs2)C1 ZINC000934334047 655768577 /nfs/dbraw/zinc/76/85/77/655768577.db2.gz OBLGQUDSKRQJBD-NSHDSACASA-N 1 1 321.377 3.255 20 5 DGBDMO O=[N+]([O-])c1cccc(F)c1C[N@H+]1CC[C@@H](Cc2nccs2)C1 ZINC000934334047 655768578 /nfs/dbraw/zinc/76/85/78/655768578.db2.gz OBLGQUDSKRQJBD-NSHDSACASA-N 1 1 321.377 3.255 20 5 DGBDMO O=[N+]([O-])c1ccccc1C[N@H+]1CC[C@]2(CC(F)(F)C2(F)F)C1 ZINC000931911515 656792329 /nfs/dbraw/zinc/79/23/29/656792329.db2.gz NUISMASJLVNRCG-LBPRGKRZSA-N 1 1 318.270 3.461 20 5 DGBDMO Cc1cc(N[C@H](C)[C@@H]2CCC[NH2+]C2)c2cc([N+](=O)[O-])ccc2n1 ZINC000261845770 657133093 /nfs/dbraw/zinc/13/30/93/657133093.db2.gz JAIRYLZFCABPNM-CHWSQXEVSA-N 1 1 314.389 3.251 20 5 DGBDMO CN(Cc1cc([N+](=O)[O-])ccc1Cl)C[C@H]1CCC[N@@H+](C)C1 ZINC000172584064 659345128 /nfs/dbraw/zinc/34/51/28/659345128.db2.gz YXGYTIIUNNHXTH-LBPRGKRZSA-N 1 1 311.813 3.022 20 5 DGBDMO CC[N@H+](Cc1ccccc1[N+](=O)[O-])C[C@H](O)c1ccc(C)cc1 ZINC000174725702 659541080 /nfs/dbraw/zinc/54/10/80/659541080.db2.gz YOHPHSJFVCBYBI-SFHVURJKSA-N 1 1 314.385 3.459 20 5 DGBDMO Cc1[nH]c(CN(Cc2ccccc2[N+](=O)[O-])C2CC2)c(C)[nH+]1 ZINC000930059686 661362181 /nfs/dbraw/zinc/36/21/81/661362181.db2.gz BSFVMHNLWMLFSV-UHFFFAOYSA-N 1 1 300.362 3.099 20 5 DGBDMO C[C@H](c1ccccc1[N+](=O)[O-])[N@H+]1CCC[C@H](c2ccn(C)n2)C1 ZINC000932134719 661540574 /nfs/dbraw/zinc/54/05/74/661540574.db2.gz HTVQMUGSAMIKAO-KGLIPLIRSA-N 1 1 314.389 3.269 20 5 DGBDMO O=[N+]([O-])c1ccc(F)cc1C[NH2+][C@@H](c1ccccn1)C1CC1 ZINC000932381440 661564511 /nfs/dbraw/zinc/56/45/11/661564511.db2.gz YADDEEDPDGBYLM-MRXNPFEDSA-N 1 1 301.321 3.370 20 5 DGBDMO O=[N+]([O-])c1cc(C[N@H+]2CCC[C@H](C3CCOCC3)C2)cs1 ZINC000933076072 661616140 /nfs/dbraw/zinc/61/61/40/661616140.db2.gz CTNYVVLVDOCYFH-AWEZNQCLSA-N 1 1 310.419 3.295 20 5 DGBDMO O=[N+]([O-])c1ccc(C[N@H+]2CCC[C@@H](C3CCOCC3)C2)cc1 ZINC000933083812 661616895 /nfs/dbraw/zinc/61/68/95/661616895.db2.gz YZRYUDWWJKIROM-MRXNPFEDSA-N 1 1 304.390 3.233 20 5 DGBDMO O=[N+]([O-])c1cccc(C[N@H+]2CCCC[C@@H]([C@@H]3CCOC3)C2)c1 ZINC000934840111 661740617 /nfs/dbraw/zinc/74/06/17/661740617.db2.gz BDFLCVKNRKTUFP-HZPDHXFCSA-N 1 1 304.390 3.233 20 5 DGBDMO Cc1nn(C[N@@H+]2CCSC3(CCCCC3)C2)c(C)c1[N+](=O)[O-] ZINC000080301243 662135945 /nfs/dbraw/zinc/13/59/45/662135945.db2.gz NJAJWIONTWCYER-UHFFFAOYSA-N 1 1 324.450 3.117 20 5 DGBDMO Cc1nn(C[N@H+]2CCSC3(CCCCC3)C2)c(C)c1[N+](=O)[O-] ZINC000080301243 662135946 /nfs/dbraw/zinc/13/59/46/662135946.db2.gz NJAJWIONTWCYER-UHFFFAOYSA-N 1 1 324.450 3.117 20 5 DGBDMO CC(C)[N@H+]1CC[C@@H](CNCc2cc(Cl)ccc2[N+](=O)[O-])C1 ZINC000084439995 662200929 /nfs/dbraw/zinc/20/09/29/662200929.db2.gz WTQIOECLIJZFOC-LBPRGKRZSA-N 1 1 311.813 3.068 20 5 DGBDMO C[C@H]1Cc2ccccc2C[N@H+]1C[C@@H](O)c1cccc([N+](=O)[O-])c1 ZINC000246378354 662256951 /nfs/dbraw/zinc/25/69/51/662256951.db2.gz ZEYUEXYHZJSUCS-SCLBCKFNSA-N 1 1 312.369 3.075 20 5 DGBDMO C[C@@H]1C[C@@H]([N@H+]2CCC[C@@H](c3ccc([N+](=O)[O-])cc3)C2)CCO1 ZINC000957131385 662352609 /nfs/dbraw/zinc/35/26/09/662352609.db2.gz RDAJKCOALTWWBT-UNEWFSDZSA-N 1 1 304.390 3.342 20 5 DGBDMO Cc1ccc(NC(=O)[C@](C)([NH3+])c2cccc([N+](=O)[O-])c2)c(C)c1 ZINC001579715725 1191988685 /nfs/dbraw/zinc/98/86/85/1191988685.db2.gz IZRMIACBFJBZCS-QGZVFWFLSA-N 1 1 313.357 3.024 20 5 DGBDMO CC[C@@H](OC(=O)[C@H]1CCC[N@@H+]1C(C)C)c1cccc([N+](=O)[O-])c1 ZINC001584251415 1192185548 /nfs/dbraw/zinc/18/55/48/1192185548.db2.gz ZTSSXJICNRFIIB-HZPDHXFCSA-N 1 1 320.389 3.462 20 5 DGBDMO CC[C@@H](OC(=O)[C@H]1CCC[N@H+]1C(C)C)c1cccc([N+](=O)[O-])c1 ZINC001584251415 1192185550 /nfs/dbraw/zinc/18/55/50/1192185550.db2.gz ZTSSXJICNRFIIB-HZPDHXFCSA-N 1 1 320.389 3.462 20 5 DGBDMO CCC[N@H+]1CCCC[C@@H]1C(=O)N[C@H](C)c1ccccc1[N+](=O)[O-] ZINC001330934366 1178094365 /nfs/dbraw/zinc/09/43/65/1178094365.db2.gz POGHKCULBSKGQU-CZUORRHYSA-N 1 1 319.405 3.037 20 5 DGBDMO O=[N+]([O-])c1cccc(-c2cnn(C[N@H+]3CCC[C@@H](CF)C3)c2)c1 ZINC001333310155 1178586162 /nfs/dbraw/zinc/58/61/62/1178586162.db2.gz PHPQAZOQQVRRHS-ZDUSSCGKSA-N 1 1 318.352 3.097 20 5 DGBDMO C[C@H]1C[C@H](Nc2ncc([N+](=O)[O-])c3ccccc32)C[N@H+]1C1CC1 ZINC001349995500 1179994477 /nfs/dbraw/zinc/99/44/77/1179994477.db2.gz QIVRIUXQNOYGCT-RYUDHWBXSA-N 1 1 312.373 3.180 20 5 DGBDMO Cc1ncc([N+](=O)[O-])n1CC[N@@H+](CCc1ccccc1)C(C)C ZINC001352886449 1180416427 /nfs/dbraw/zinc/41/64/27/1180416427.db2.gz DLRAHRSPOPINNA-UHFFFAOYSA-N 1 1 316.405 3.053 20 5 DGBDMO C[C@@H](Nc1ccnc(F)c1[N+](=O)[O-])[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC001354158513 1180732976 /nfs/dbraw/zinc/73/29/76/1180732976.db2.gz ZKROEULNMZKWEB-VXGBXAGGSA-N 1 1 322.384 3.194 20 5 DGBDMO C[C@@H](C(=O)Nc1cccc([N+](=O)[O-])c1)[N@H+]1CC[C@@H](C)C(C)(C)C1 ZINC001473365959 1181481252 /nfs/dbraw/zinc/48/12/52/1181481252.db2.gz YBMGMBNLBBAAOL-OLZOCXBDSA-N 1 1 319.405 3.290 20 5 DGBDMO C[C@@H](NCc1csc([N+](=O)[O-])c1)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC001459936321 1182631782 /nfs/dbraw/zinc/63/17/82/1182631782.db2.gz NTCWWPLCORAMMX-OCCSQVGLSA-N 1 1 323.462 3.399 20 5 DGBDMO CC[C@H]1CC[N@@H+](CCC(=O)Nc2cc([N+](=O)[O-])ccc2F)[C@H]1C ZINC001459987457 1182636855 /nfs/dbraw/zinc/63/68/55/1182636855.db2.gz PLKPVBSULIPFRH-RYUDHWBXSA-N 1 1 323.368 3.183 20 5 DGBDMO Cc1ncsc1CCC[N@H+](C)CCc1ccccc1[N+](=O)[O-] ZINC001460103044 1182651090 /nfs/dbraw/zinc/65/10/90/1182651090.db2.gz XGUXWDZGPGZEOD-UHFFFAOYSA-N 1 1 319.430 3.467 20 5 DGBDMO O=[N+]([O-])c1cnc(NC[C@@H]2CC[N@H+]2C2CCCCCC2)s1 ZINC001472858097 1183691250 /nfs/dbraw/zinc/69/12/50/1183691250.db2.gz VGEVBHZLLRRZEV-LBPRGKRZSA-N 1 1 310.423 3.260 20 5 DGBDMO CC[N@@H+]1[C@H](C)CN(c2ccc([N+](=O)[O-])c3cnccc32)C[C@@H]1C ZINC001472862816 1183692316 /nfs/dbraw/zinc/69/23/16/1183692316.db2.gz AVKQPYCVTIDIID-BETUJISGSA-N 1 1 314.389 3.062 20 5 DGBDMO Cc1cc(N2CC[N@@H+](C3CCCC3)[C@@H](C)C2)c(F)cc1[N+](=O)[O-] ZINC001472879035 1183695392 /nfs/dbraw/zinc/69/53/92/1183695392.db2.gz WHSHFTDPCIQEGL-ZDUSSCGKSA-N 1 1 321.396 3.495 20 5 DGBDMO COc1cc([N+](=O)[O-])ccc1C[N@@H+](C)[C@@H]1C[C@@](C)(OC)C1(C)C ZINC001473187893 1183726527 /nfs/dbraw/zinc/72/65/27/1183726527.db2.gz UJZXPVCWKQKKEH-NVXWUHKLSA-N 1 1 322.405 3.239 20 5 DGBDMO COc1ccc(C[N@H+]2CCC[C@H]2COC(C)(C)C)cc1[N+](=O)[O-] ZINC001473782683 1183801406 /nfs/dbraw/zinc/80/14/06/1183801406.db2.gz ZHLCFQMBBOQQSB-AWEZNQCLSA-N 1 1 322.405 3.383 20 5 DGBDMO CO[C@](C)(C[N@@H+](Cc1ccccc1[N+](=O)[O-])C1CC1)C1CC1 ZINC001474318270 1183903830 /nfs/dbraw/zinc/90/38/30/1183903830.db2.gz CNSRGDDGMREDQO-QGZVFWFLSA-N 1 1 304.390 3.374 20 5 DGBDMO CC(=Cc1cccc([N+](=O)[O-])c1)C[N@H+](C)Cc1cccc(=O)[nH]1 ZINC001474721230 1183967586 /nfs/dbraw/zinc/96/75/86/1183967586.db2.gz URFASKLORUENBW-UKTHLTGXSA-N 1 1 313.357 3.231 20 5 DGBDMO CC(C)[C@H]1CN(c2ccc([N+](=O)[O-])cc2C(F)F)CC[N@H+]1C ZINC001612780245 1193461255 /nfs/dbraw/zinc/46/12/55/1193461255.db2.gz SFWANMZNBOYUKT-CQSZACIVSA-N 1 1 313.348 3.309 20 5 DGBDMO C[N@@H+](CCNc1c(F)cccc1[N+](=O)[O-])Cc1ccc(F)cc1 ZINC001559127314 1189173184 /nfs/dbraw/zinc/17/31/84/1189173184.db2.gz HUYKXUVSYNTNPR-UHFFFAOYSA-N 1 1 321.327 3.417 20 5 DGBDMO CCCC[N@@H+](C)C[C@@H](C)Nc1c2ccccc2ncc1[N+](=O)[O-] ZINC001559203142 1189180414 /nfs/dbraw/zinc/18/04/14/1189180414.db2.gz JTBLYJKMBZRFPW-CYBMUJFWSA-N 1 1 316.405 3.097 20 5 DGBDMO CC[C@@H]1CC[N@@H+]([C@H](C)C(=O)Nc2cccc([N+](=O)[O-])c2)[C@H]1C ZINC001559768532 1189240356 /nfs/dbraw/zinc/24/03/56/1189240356.db2.gz GTRQVJDYFXDQEU-YNEHKIRRSA-N 1 1 305.378 3.042 20 5 DGBDMO CCOC[C@@H]1CCCC[N@H+]1CCCOc1ccc([N+](=O)[O-])cc1 ZINC001559900305 1189254362 /nfs/dbraw/zinc/25/43/62/1189254362.db2.gz JHVFTFZYABGIPE-INIZCTEOSA-N 1 1 322.405 3.255 20 5 DGBDMO Cn1cc(C[N@H+]2CCC[C@@H](C3CCCCC3)C2)c([N+](=O)[O-])n1 ZINC001560026488 1189270183 /nfs/dbraw/zinc/27/01/83/1189270183.db2.gz XCVHLPCWYXUPCJ-CQSZACIVSA-N 1 1 306.410 3.121 20 5 DGBDMO Cc1c(C[NH2+]CC2(N(C)C)CCCCC2)cccc1[N+](=O)[O-] ZINC001560246192 1189298332 /nfs/dbraw/zinc/29/83/32/1189298332.db2.gz NCAPZWUIWRGQNL-UHFFFAOYSA-N 1 1 305.422 3.257 20 5 DGBDMO CCCn1cc(C[N@@H+](C)CCc2cccc([N+](=O)[O-])c2)c(C)n1 ZINC001560781333 1189380645 /nfs/dbraw/zinc/38/06/45/1189380645.db2.gz YEOQQVSXJXLRLY-UHFFFAOYSA-N 1 1 316.405 3.184 20 5 DGBDMO CCC[N@H+](CCC[NH+](C)C)Cc1c(C)ccc([N+](=O)[O-])c1C ZINC001560812665 1189386028 /nfs/dbraw/zinc/38/60/28/1189386028.db2.gz ZWHDISJUKPGOMW-UHFFFAOYSA-N 1 1 307.438 3.375 20 5 DGBDMO CCC[N@H+](CCCN(C)C)Cc1c(C)ccc([N+](=O)[O-])c1C ZINC001560812665 1189386037 /nfs/dbraw/zinc/38/60/37/1189386037.db2.gz ZWHDISJUKPGOMW-UHFFFAOYSA-N 1 1 307.438 3.375 20 5 DGBDMO CCC[N@@H+](CCCN(C)C)Cc1c(C)ccc([N+](=O)[O-])c1C ZINC001560812665 1189386045 /nfs/dbraw/zinc/38/60/45/1189386045.db2.gz ZWHDISJUKPGOMW-UHFFFAOYSA-N 1 1 307.438 3.375 20 5 DGBDMO C/C(=C/c1cccc([N+](=O)[O-])c1)C[N@H+]1CCC[C@@H](C(C)(C)O)C1 ZINC001560998397 1189418554 /nfs/dbraw/zinc/41/85/54/1189418554.db2.gz WPRHJFWYJWXRTF-SCOADAFUSA-N 1 1 318.417 3.481 20 5 DGBDMO CC1(C)[C@H](N)C[C@@H]1[NH2+][C@@H]1CCC[C@@H]1Cc1ccccc1[N+](=O)[O-] ZINC001576384109 1191577399 /nfs/dbraw/zinc/57/73/99/1191577399.db2.gz UAAIWXQKOBVLCZ-WNOSKKOXSA-N 1 1 317.433 3.021 20 5 DGBDMO CCC[N@H+]1CCC[C@@H](C(=O)Nc2cc([N+](=O)[O-])c(C)cc2C)C1 ZINC001618150525 1193726149 /nfs/dbraw/zinc/72/61/49/1193726149.db2.gz QBPIOVAUCYQNSD-CQSZACIVSA-N 1 1 319.405 3.272 20 5 DGBDMO CCC1(CC)CCC[N@H+]1CC(=O)Nc1ccc([N+](=O)[O-])cc1C ZINC001620555071 1193778593 /nfs/dbraw/zinc/77/85/93/1193778593.db2.gz NYULKUCUWWUGPV-UHFFFAOYSA-N 1 1 319.405 3.496 20 5 DGBDMO C[N@@H+](CCc1cccc([N+](=O)[O-])c1)Cc1cccc2n[nH]cc21 ZINC001621278059 1193826056 /nfs/dbraw/zinc/82/60/56/1193826056.db2.gz DHQZMEGKRAWSNQ-UHFFFAOYSA-N 1 1 310.357 3.146 20 5 DGBDMO CCO[C@@H]1C[C@H]([N@@H+](C)Cc2cccnc2[N+](=O)[O-])C1(CC)CC ZINC001642126750 1194889459 /nfs/dbraw/zinc/88/94/59/1194889459.db2.gz INUUGEASNGZOMQ-LSDHHAIUSA-N 1 1 321.421 3.405 20 5 DGBDMO Cc1ccc(NC[C@@H]2CCC[N@@H+](CC3CC3)C2)c([N+](=O)[O-])c1 ZINC001642994472 1194959019 /nfs/dbraw/zinc/95/90/19/1194959019.db2.gz XGCSXZIERRRADL-HNNXBMFYSA-N 1 1 303.406 3.437 20 5 DGBDMO C[N@@H+](CCOC1CCCCC1)CCc1ccccc1[N+](=O)[O-] ZINC001643057458 1194963648 /nfs/dbraw/zinc/96/36/48/1194963648.db2.gz UQTJQOXXNIKXHU-UHFFFAOYSA-N 1 1 306.406 3.418 20 5 DGBDMO C[N@H+]1CCCC[C@@H]1CNc1ccc([N+](=O)[O-])c(OC(F)F)c1 ZINC001643274486 1195010866 /nfs/dbraw/zinc/01/08/66/1195010866.db2.gz FOXNAJBLXXTYLE-LLVKDONJSA-N 1 1 315.320 3.092 20 5 DGBDMO C[C@H]([NH2+]CC(=O)c1ccccc1F)c1ccc([N+](=O)[O-])cc1 ZINC001644456427 1195109708 /nfs/dbraw/zinc/10/97/08/1195109708.db2.gz KYUJFKKQZKYYTG-NSHDSACASA-N 1 1 302.305 3.267 20 5 DGBDMO Cc1ccccc1CC[N@@H+](C)CCOc1ccccc1[N+](=O)[O-] ZINC001645852147 1195204472 /nfs/dbraw/zinc/20/44/72/1195204472.db2.gz UFCQUZZVYWJCRZ-UHFFFAOYSA-N 1 1 314.385 3.457 20 5 DGBDMO O=[N+]([O-])c1ccccc1OCC[N@H+]1CCSC[C@@H]1C1CCC1 ZINC001646293568 1195221326 /nfs/dbraw/zinc/22/13/26/1195221326.db2.gz RIEZYVLYGUUNAS-OAHLLOKOSA-N 1 1 322.430 3.191 20 5 DGBDMO CC[N@@H+]1[C@H](C)CN(Cc2cc([N+](=O)[O-])ccc2Cl)C[C@@H]1C ZINC001646537114 1195233715 /nfs/dbraw/zinc/23/37/15/1195233715.db2.gz SHVURBOUDYVENX-TXEJJXNPSA-N 1 1 311.813 3.163 20 5 DGBDMO C[C@H]1CN(Cc2ccc([N+](=O)[O-])cc2F)CC[N@H+]1C1CCCC1 ZINC001648327080 1195292258 /nfs/dbraw/zinc/29/22/58/1195292258.db2.gz ADIIEZLTEAFEGZ-ZDUSSCGKSA-N 1 1 321.396 3.183 20 5 DGBDMO O=[N+]([O-])c1cc(F)ccc1C[N@@H+]1CCCC[C@H]1[C@H]1CCCO1 ZINC001648616613 1195315052 /nfs/dbraw/zinc/31/50/52/1195315052.db2.gz FQSIWCRFIXIXNQ-GOEBONIOSA-N 1 1 308.353 3.267 20 5 DGBDMO O=[N+]([O-])c1cc(F)ccc1C[N@H+]1CCCC[C@H]1[C@H]1CCCO1 ZINC001648616613 1195315057 /nfs/dbraw/zinc/31/50/57/1195315057.db2.gz FQSIWCRFIXIXNQ-GOEBONIOSA-N 1 1 308.353 3.267 20 5 DGBDMO CN(CC[N@@H+](C)C1CC1)c1cc(C(F)(F)F)ccc1[N+](=O)[O-] ZINC001650980249 1195401174 /nfs/dbraw/zinc/40/11/74/1195401174.db2.gz LKOYFXNAYLYPMJ-UHFFFAOYSA-N 1 1 317.311 3.144 20 5 DGBDMO C[C@@H]1CN(c2cccc(C(F)(F)F)c2[N+](=O)[O-])C[C@H](C)[N@@H+]1C ZINC001651108882 1195414880 /nfs/dbraw/zinc/41/48/80/1195414880.db2.gz PHYWITNXJICGMZ-AOOOYVTPSA-N 1 1 317.311 3.142 20 5 DGBDMO CN(C[C@@H]1CCC[N@H+]1C)c1cccc(C(F)(F)F)c1[N+](=O)[O-] ZINC001651166417 1195422349 /nfs/dbraw/zinc/42/23/49/1195422349.db2.gz RVFGJCAVKIAAFX-JTQLQIEISA-N 1 1 317.311 3.144 20 5 DGBDMO CCc1nc(NC[C@H](C)c2ccccc2[N+](=O)[O-])cc(C)[nH+]1 ZINC001651466247 1195466171 /nfs/dbraw/zinc/46/61/71/1195466171.db2.gz YAYCIAJDOOBMIV-NSHDSACASA-N 1 1 300.362 3.471 20 5 DGBDMO C[C@H]1CN(c2c(F)cccc2[N+](=O)[O-])CC[N@H+]1C1CCCC1 ZINC001652233755 1195566764 /nfs/dbraw/zinc/56/67/64/1195566764.db2.gz AOSHUMREJJZAGL-LBPRGKRZSA-N 1 1 307.369 3.187 20 5 DGBDMO CO[C@]1(C)C[C@H]([N@@H+](C)CCOc2cccc([N+](=O)[O-])c2)C1(C)C ZINC001652571078 1195619277 /nfs/dbraw/zinc/61/92/77/1195619277.db2.gz FCHNGONTHJCMGN-DOTOQJQBSA-N 1 1 322.405 3.109 20 5 DGBDMO COc1c(O)ccc(C[NH+]2CC(C3CCCCC3)C2)c1[N+](=O)[O-] ZINC001652624222 1195627325 /nfs/dbraw/zinc/62/73/25/1195627325.db2.gz YSLDQFRJNVEVMA-UHFFFAOYSA-N 1 1 320.389 3.321 20 5 DGBDMO CO[C@@]1(C)C[C@@H]([N@@H+](C)Cc2ccc(F)cc2[N+](=O)[O-])C1(C)C ZINC001653448879 1195723720 /nfs/dbraw/zinc/72/37/20/1195723720.db2.gz FZOGXZJKECLUTO-ZBFHGGJFSA-N 1 1 310.369 3.369 20 5 DGBDMO CO[C@]1(C)C[C@@H]([N@@H+](C)Cc2ccc(F)cc2[N+](=O)[O-])C1(C)C ZINC001653448875 1195725111 /nfs/dbraw/zinc/72/51/11/1195725111.db2.gz FZOGXZJKECLUTO-GDBMZVCRSA-N 1 1 310.369 3.369 20 5 DGBDMO C[N@@H+](Cc1ccc([N+](=O)[O-])cc1Cl)[C@@H](CO)CC(C)(C)C ZINC001653619407 1195738666 /nfs/dbraw/zinc/73/86/66/1195738666.db2.gz SJRHZDLBMCOGRR-CYBMUJFWSA-N 1 1 314.813 3.477 20 5 DGBDMO C[N@@H+](Cc1cc([N+](=O)[O-])ccc1Cl)CC12CC(C)(C1)OC2 ZINC001653740796 1195747384 /nfs/dbraw/zinc/74/73/84/1195747384.db2.gz KTVGVOCWAZJVJK-UHFFFAOYSA-N 1 1 310.781 3.249 20 5 DGBDMO C[C@H](C(=O)Nc1ccc([N+](=O)[O-])cc1)[N@@H+](C)CCC(C)(C)C ZINC001654012302 1195767096 /nfs/dbraw/zinc/76/70/96/1195767096.db2.gz HZXHKZQFQIJJNU-GFCCVEGCSA-N 1 1 307.394 3.290 20 5 DGBDMO O=[N+]([O-])c1ccc(OCCC[N@H+]2CC[C@@H]3CSC[C@@H]3C2)cc1 ZINC001654541782 1195814759 /nfs/dbraw/zinc/81/47/59/1195814759.db2.gz YAYXHOALESPSDE-KGLIPLIRSA-N 1 1 322.430 3.049 20 5 DGBDMO 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ZINC001658217360 1196226170 /nfs/dbraw/zinc/22/61/70/1196226170.db2.gz DTUCULIKMHWZEM-ZDUSSCGKSA-N 1 1 317.433 3.128 20 5 DGBDMO Cc1ccc([N+](=O)[O-])c(C)c1C[N@@H+]1CCN(C2CC2)C[C@@H](C)C1 ZINC001658217360 1196226176 /nfs/dbraw/zinc/22/61/76/1196226176.db2.gz DTUCULIKMHWZEM-ZDUSSCGKSA-N 1 1 317.433 3.128 20 5 DGBDMO CC(C)C(C[N@H+]1CC[C@@H](Nc2ccc([N+](=O)[O-])cn2)C1)C(C)C ZINC001658278773 1196234604 /nfs/dbraw/zinc/23/46/04/1196234604.db2.gz OIWHQDHWWQBZQK-CQSZACIVSA-N 1 1 320.437 3.404 20 5 DGBDMO Cc1ccc([N+](=O)[O-])c(C)c1CN[C@@H](C)C[NH+]1CCC(C)CC1 ZINC001658281541 1196235759 /nfs/dbraw/zinc/23/57/59/1196235759.db2.gz PAQXUIPEZCMOEV-HNNXBMFYSA-N 1 1 319.449 3.422 20 5 DGBDMO CC[C@@H]1CC[N@@H+](CCC(=O)Nc2ccc([N+](=O)[O-])cc2)[C@H]1C ZINC001658340941 1196243888 /nfs/dbraw/zinc/24/38/88/1196243888.db2.gz HDHLECLTQZFDDQ-QWHCGFSZSA-N 1 1 305.378 3.044 20 5 DGBDMO C/C(=C/c1cccc([N+](=O)[O-])c1)C[N@H+]1C[C@H](O)CC(C)(C)C1 ZINC001658730093 1196293406 /nfs/dbraw/zinc/29/34/06/1196293406.db2.gz ARSUTBSKPUBORM-VXXVJXPCSA-N 1 1 304.390 3.091 20 5 DGBDMO Cc1ccc([N+](=O)[O-])c(C)c1C[N@H+]1CC[C@H](C(C)(C)C)[C@H](O)C1 ZINC001659266275 1196365243 /nfs/dbraw/zinc/36/52/43/1196365243.db2.gz VGIYIEYUEBTTOH-DOTOQJQBSA-N 1 1 320.433 3.441 20 5 DGBDMO CC[NH+]1CC[C@H]([N@H+](C)Cc2c(C)ccc([N+](=O)[O-])c2C)[C@H](C)C1 ZINC001663596022 1196910826 /nfs/dbraw/zinc/91/08/26/1196910826.db2.gz VUEPURWVOCGLFI-PBHICJAKSA-N 1 1 319.449 3.374 20 5 DGBDMO CC[NH+]1CC[C@H]([N@@H+](C)Cc2c(C)ccc([N+](=O)[O-])c2C)[C@H](C)C1 ZINC001663596022 1196910827 /nfs/dbraw/zinc/91/08/27/1196910827.db2.gz VUEPURWVOCGLFI-PBHICJAKSA-N 1 1 319.449 3.374 20 5 DGBDMO CCN1CC[C@H]([N@H+](C)Cc2c(C)ccc([N+](=O)[O-])c2C)[C@H](C)C1 ZINC001663596022 1196910829 /nfs/dbraw/zinc/91/08/29/1196910829.db2.gz VUEPURWVOCGLFI-PBHICJAKSA-N 1 1 319.449 3.374 20 5 DGBDMO CCN1CC[C@H]([N@@H+](C)Cc2c(C)ccc([N+](=O)[O-])c2C)[C@H](C)C1 ZINC001663596022 1196910830 /nfs/dbraw/zinc/91/08/30/1196910830.db2.gz VUEPURWVOCGLFI-PBHICJAKSA-N 1 1 319.449 3.374 20 5 DGBDMO COc1c(O)ccc(C[N@H+]2CC=C(C(C)(C)C)CC2)c1[N+](=O)[O-] ZINC001663805546 1196947711 /nfs/dbraw/zinc/94/77/11/1196947711.db2.gz QGAIWXGNTCMIFI-UHFFFAOYSA-N 1 1 320.389 3.487 20 5 DGBDMO COc1c(O)ccc(C[N@@H+]2CC=C(C(C)(C)C)CC2)c1[N+](=O)[O-] ZINC001663805546 1196947712 /nfs/dbraw/zinc/94/77/12/1196947712.db2.gz QGAIWXGNTCMIFI-UHFFFAOYSA-N 1 1 320.389 3.487 20 5 DGBDMO c1cn2c([nH+]1)CCN(c1ccc3ccc4cccnc4c3n1)CC2 ZINC001167178225 1081788332 /nfs/dbraw/zinc/78/83/32/1081788332.db2.gz ODYSLYYLPDBTPY-UHFFFAOYSA-N 1 1 315.380 3.042 20 5 DGBDMO COc1ccc(C[C@@H](C)[N@H+]2C[C@@H](C)C[C@H]2CF)c([N+](=O)[O-])c1 ZINC001170329073 1082348017 /nfs/dbraw/zinc/34/80/17/1082348017.db2.gz OBIGZSVSKAXNGU-SCRDCRAPSA-N 1 1 310.369 3.214 20 5 DGBDMO COc1ccc(C[C@H](C)[N@@H+]2CC[C@@H](OC)C[C@H]2C)c([N+](=O)[O-])c1 ZINC001170355877 1082350349 /nfs/dbraw/zinc/35/03/49/1082350349.db2.gz RYTUIIASEWTMCG-WOSRLPQWSA-N 1 1 322.405 3.034 20 5 DGBDMO COc1ccc(C[C@H](C)[N@H+]2CC3CCC2CC3)c([N+](=O)[O-])c1 ZINC001170348219 1082356537 /nfs/dbraw/zinc/35/65/37/1082356537.db2.gz VTFRFBCUWUDPFX-OPFPJEHXSA-N 1 1 304.390 3.409 20 5 DGBDMO COc1ccc(C[C@H](C)[N@H+](C)Cc2nccs2)c([N+](=O)[O-])c1 ZINC001170351801 1082357627 /nfs/dbraw/zinc/35/76/27/1082357627.db2.gz JJNPPOLYLIMBJM-NSHDSACASA-N 1 1 321.402 3.123 20 5 DGBDMO COc1ccc(C[C@H](C)[N@@H+](C)Cc2nccs2)c([N+](=O)[O-])c1 ZINC001170351801 1082357632 /nfs/dbraw/zinc/35/76/32/1082357632.db2.gz JJNPPOLYLIMBJM-NSHDSACASA-N 1 1 321.402 3.123 20 5 DGBDMO C[C@@H]1C[C@H](C)C[N@H+](CCNC(C)(C)c2ccccc2[N+](=O)[O-])C1 ZINC001170649456 1083046309 /nfs/dbraw/zinc/04/63/09/1083046309.db2.gz DGVSAVYUMCPIBS-GASCZTMLSA-N 1 1 319.449 3.397 20 5 DGBDMO C[C@@H]1C[C@H](C)CN(CC[NH2+]C(C)(C)c2ccccc2[N+](=O)[O-])C1 ZINC001170649456 1083046312 /nfs/dbraw/zinc/04/63/12/1083046312.db2.gz DGVSAVYUMCPIBS-GASCZTMLSA-N 1 1 319.449 3.397 20 5 DGBDMO Cc1cc(Cl)c(NCc2ccc(N)[nH+]c2C)c([N+](=O)[O-])c1 ZINC001167787597 1083955583 /nfs/dbraw/zinc/95/55/83/1083955583.db2.gz CXICAGVHJLAJSF-UHFFFAOYSA-N 1 1 306.753 3.454 20 5 DGBDMO C[C@H](C[N@H+]1CCC[C@@H](C)C1)Nc1c(F)cc([N+](=O)[O-])cc1F ZINC001185018177 1084312815 /nfs/dbraw/zinc/31/28/15/1084312815.db2.gz XRUCAZRDZKLGKS-GHMZBOCLSA-N 1 1 313.348 3.405 20 5 DGBDMO O=[N+]([O-])c1cc(F)c(N[C@@H]2CCC[N@H+]3CCCC[C@@H]23)c(F)c1 ZINC001186873540 1084712707 /nfs/dbraw/zinc/71/27/07/1084712707.db2.gz YNJFUVSIXAVAMG-KGLIPLIRSA-N 1 1 311.332 3.302 20 5 DGBDMO O=[N+]([O-])c1cc(F)c(N[C@@H]2CCC[N@H+]3CCCC[C@H]23)c(F)c1 ZINC001186873542 1084712760 /nfs/dbraw/zinc/71/27/60/1084712760.db2.gz YNJFUVSIXAVAMG-ZIAGYGMSSA-N 1 1 311.332 3.302 20 5 DGBDMO C[C@H](c1ccccc1)[N@@H+](CCO)Cc1ccc([N+](=O)[O-])c(F)c1 ZINC001168285687 1087282048 /nfs/dbraw/zinc/28/20/48/1087282048.db2.gz WVIBOEBWRHATEY-CYBMUJFWSA-N 1 1 318.348 3.289 20 5 DGBDMO CC(C)(C)C[N@@H+](CCO)Cc1cc(Cl)ccc1[N+](=O)[O-] ZINC000690908424 1087562723 /nfs/dbraw/zinc/56/27/23/1087562723.db2.gz OONOBHDSXBLLEH-UHFFFAOYSA-N 1 1 300.786 3.089 20 5 DGBDMO CC(C)[N@H+]1CCN(c2nccc3ccc([N+](=O)[O-])cc32)C[C@@H]1C ZINC001158495094 1087867233 /nfs/dbraw/zinc/86/72/33/1087867233.db2.gz GJIWXILFAWHETL-ZDUSSCGKSA-N 1 1 314.389 3.062 20 5 DGBDMO CC(C)[N@H+]1CC[C@H](Nc2cc(Cl)cc([N+](=O)[O-])n2)[C@H](C)C1 ZINC001163360856 1090162499 /nfs/dbraw/zinc/16/24/99/1090162499.db2.gz GGINQBNTAJPDOO-PWSUYJOCSA-N 1 1 312.801 3.174 20 5 DGBDMO CC(C)[N@H+]1CC[C@H](Nc2cc(Cl)ncc2[N+](=O)[O-])[C@H](C)C1 ZINC001163362763 1090164107 /nfs/dbraw/zinc/16/41/07/1090164107.db2.gz NYJWHHWYYIGDTF-MNOVXSKESA-N 1 1 312.801 3.174 20 5 DGBDMO CC(C)[N@H+]1CC[C@H](Nc2cc([N+](=O)[O-])c3cc[nH]c3n2)[C@H](C)C1 ZINC001163364584 1090165298 /nfs/dbraw/zinc/16/52/98/1090165298.db2.gz DRMGWNZMFIAAPU-YPMHNXCESA-N 1 1 317.393 3.002 20 5 DGBDMO CC(C)[N@H+]1CC[C@@H](Nc2ccc3[nH]cc([N+](=O)[O-])c3n2)[C@H](C)C1 ZINC001163365449 1090165634 /nfs/dbraw/zinc/16/56/34/1090165634.db2.gz JBWDQPAOBAXTHG-VXGBXAGGSA-N 1 1 317.393 3.002 20 5 DGBDMO CC[N@H+]1CCCN(c2ccc3ccc4cccnc4c3n2)CC1 ZINC001163771428 1090255291 /nfs/dbraw/zinc/25/52/91/1090255291.db2.gz VBVXLCSJQUOASW-UHFFFAOYSA-N 1 1 306.413 3.315 20 5 DGBDMO C[N@@H+]1Cc2ccccc2[C@@H]1CNc1ccc(F)cc1[N+](=O)[O-] ZINC001163942602 1090293073 /nfs/dbraw/zinc/29/30/73/1090293073.db2.gz ZQEFJASBOBURRX-INIZCTEOSA-N 1 1 301.321 3.333 20 5 DGBDMO C[N@H+]1Cc2ccccc2[C@@H]1CNc1ccc(F)cc1[N+](=O)[O-] ZINC001163942602 1090293077 /nfs/dbraw/zinc/29/30/77/1090293077.db2.gz ZQEFJASBOBURRX-INIZCTEOSA-N 1 1 301.321 3.333 20 5 DGBDMO C[N@H+]1CCC[C@@H](CCNc2ccnc3c2cccc3[N+](=O)[O-])C1 ZINC001165289653 1090496982 /nfs/dbraw/zinc/49/69/82/1090496982.db2.gz HQPOBLKRWGMJNS-ZDUSSCGKSA-N 1 1 314.389 3.287 20 5 DGBDMO C[N@@H+](CCc1cccc([N+](=O)[O-])c1)Cc1cnc2ccccc2n1 ZINC001205504241 1091237508 /nfs/dbraw/zinc/23/75/08/1091237508.db2.gz XBQDWYWBCDEFRY-UHFFFAOYSA-N 1 1 322.368 3.213 20 5 DGBDMO CC[N@@H+]([C@H](C)Cc1ccc(OC)cc1)[C@@H]1CC[C@@H](C[N+](=O)[O-])C1 ZINC001169005914 1092483701 /nfs/dbraw/zinc/48/37/01/1092483701.db2.gz DHVRFRFHCTWKBR-DJIMGWMZSA-N 1 1 320.433 3.394 20 5 DGBDMO O=[N+]([O-])C[C@@H]1CC[C@@H]([N@H+]2CCC[C@H](Sc3ccncc3)C2)C1 ZINC001169033312 1092497152 /nfs/dbraw/zinc/49/71/52/1092497152.db2.gz BWSCCILUALCDEZ-FMKPAKJESA-N 1 1 321.446 3.084 20 5 DGBDMO O=[N+]([O-])C[C@H]1CC[C@H]([N@@H+](Cc2ccccc2)C2CCOCC2)C1 ZINC001169037477 1092498500 /nfs/dbraw/zinc/49/85/00/1092498500.db2.gz RYEGCGQESFHRTB-WMZOPIPTSA-N 1 1 318.417 3.113 20 5 DGBDMO COC(=O)C[N@@H+](C/C(C)=C/c1cccc([N+](=O)[O-])c1)CC(C)C ZINC001338769377 1095384156 /nfs/dbraw/zinc/38/41/56/1095384156.db2.gz LDTITUIGZOAOAL-RIYZIHGNSA-N 1 1 320.389 3.129 20 5 DGBDMO COC(=O)C[N@H+](C/C(C)=C/c1cccc([N+](=O)[O-])c1)CC(C)C ZINC001338769377 1095384164 /nfs/dbraw/zinc/38/41/64/1095384164.db2.gz LDTITUIGZOAOAL-RIYZIHGNSA-N 1 1 320.389 3.129 20 5 DGBDMO O=[N+]([O-])c1ccc2ccnc(N[C@H]3CC[N@H+](C4CCC4)C3)c2c1 ZINC001161177553 1095746203 /nfs/dbraw/zinc/74/62/03/1095746203.db2.gz SPAWHTAPOSETEL-ZDUSSCGKSA-N 1 1 312.373 3.182 20 5 DGBDMO C[C@H](CO)[N@@H+](C)Cc1ccc(-c2ccc(Cl)cc2[N+](=O)[O-])o1 ZINC001117595555 1095785738 /nfs/dbraw/zinc/78/57/38/1095785738.db2.gz LTEKGBJKXVGZRN-SNVBAGLBSA-N 1 1 324.764 3.321 20 5 DGBDMO CC[N@H+]1CC[C@H](OCc2ccc([N+](=O)[O-])c3ccccc23)C1 ZINC001224204947 1096162545 /nfs/dbraw/zinc/16/25/45/1096162545.db2.gz WPDAOQGLWKHLFZ-AWEZNQCLSA-N 1 1 300.358 3.359 20 5 DGBDMO CC(C)[N@H+]1CC[C@H](Oc2ccc([N+](=O)[O-])c(C(F)(F)F)c2)C1 ZINC001225916815 1096563541 /nfs/dbraw/zinc/56/35/41/1096563541.db2.gz ASUPSAGGGYCCMJ-NSHDSACASA-N 1 1 318.295 3.475 20 5 DGBDMO CC(C)(C)[NH+]1CC(Oc2ccc([N+](=O)[O-])c(C(F)(F)F)c2)C1 ZINC001225919190 1096564866 /nfs/dbraw/zinc/56/48/66/1096564866.db2.gz RCWXMXAAWFKRCB-UHFFFAOYSA-N 1 1 318.295 3.475 20 5 DGBDMO CC(C)[N@H+]1CC[C@H](Oc2ccc(C(F)(F)F)cc2[N+](=O)[O-])C1 ZINC001225952328 1096572729 /nfs/dbraw/zinc/57/27/29/1096572729.db2.gz BRHIPPZMVFWJTJ-NSHDSACASA-N 1 1 318.295 3.475 20 5 DGBDMO Cc1ccc(N2CCC[C@@H](Oc3cccc([N+](=O)[O-])c3)C2)[nH+]c1 ZINC001226763229 1096770725 /nfs/dbraw/zinc/77/07/25/1096770725.db2.gz MQZJTNBCGUZAIS-MRXNPFEDSA-N 1 1 313.357 3.346 20 5 DGBDMO CC(C)[N@H+]1CCC[C@H](Oc2cc(F)cc(F)c2[N+](=O)[O-])C1 ZINC001228614599 1097153061 /nfs/dbraw/zinc/15/30/61/1097153061.db2.gz WEPVJEKDXASCIE-NSHDSACASA-N 1 1 300.305 3.125 20 5 DGBDMO O=[N+]([O-])c1ccc2c(c1)CC[C@@H]([N@@H+]1C[C@@H](F)C[C@H]1CF)CC2 ZINC001172907505 1097269363 /nfs/dbraw/zinc/26/93/63/1097269363.db2.gz GBORKSLARIAJEM-DZKIICNBSA-N 1 1 310.344 3.224 20 5 DGBDMO O=[N+]([O-])c1ccc2c(c1)CC[C@@H]([N@H+]1C[C@@H](F)C[C@H]1CF)CC2 ZINC001172907505 1097269366 /nfs/dbraw/zinc/26/93/66/1097269366.db2.gz GBORKSLARIAJEM-DZKIICNBSA-N 1 1 310.344 3.224 20 5 DGBDMO O=[N+]([O-])c1ccc2c(c1)CC[C@@H]([N@H+]1CCc3occc3C1)CC2 ZINC001172918887 1097280281 /nfs/dbraw/zinc/28/02/81/1097280281.db2.gz CWBZLUYKZPHNHQ-INIZCTEOSA-N 1 1 312.369 3.494 20 5 DGBDMO C[N@@H+](Cc1cncs1)[C@@H]1CCc2ccc([N+](=O)[O-])cc2CC1 ZINC001172919792 1097280848 /nfs/dbraw/zinc/28/08/48/1097280848.db2.gz HOFMHHYPHMTYFI-CQSZACIVSA-N 1 1 317.414 3.431 20 5 DGBDMO CC(=O)[C@@H]1CCCC[N@H+]1[C@H]1CCc2ccc([N+](=O)[O-])cc2CC1 ZINC001172919725 1097280971 /nfs/dbraw/zinc/28/09/71/1097280971.db2.gz HGASYRHFVVPJFW-WMZOPIPTSA-N 1 1 316.401 3.286 20 5 DGBDMO C[N@@H+](Cc1cccnc1)[C@@H]1CCc2ccc([N+](=O)[O-])cc2CC1 ZINC001172909586 1097291527 /nfs/dbraw/zinc/29/15/27/1097291527.db2.gz TVBVYYZRJXEORH-QGZVFWFLSA-N 1 1 311.385 3.369 20 5 DGBDMO COc1ccc([N+](=O)[O-])c(C[C@@H](C)[N@H+]2CCC[C@@H](C)C2)c1F ZINC001173184050 1097356795 /nfs/dbraw/zinc/35/67/95/1097356795.db2.gz LDWXADCHMOSILP-VXGBXAGGSA-N 1 1 310.369 3.405 20 5 DGBDMO COc1ccc([N+](=O)[O-])c(C[C@@H](C)[N@H+]2CCCC23CC3)c1F ZINC001173186830 1097357869 /nfs/dbraw/zinc/35/78/69/1097357869.db2.gz VNXFSGGRXKEQDO-LLVKDONJSA-N 1 1 308.353 3.302 20 5 DGBDMO C[C@@H](Cc1ccc([N+](=O)[O-])cc1)[NH2+]C1CCN(C2CCC2)CC1 ZINC001173219886 1097371196 /nfs/dbraw/zinc/37/11/96/1097371196.db2.gz QIMNRNOVGZLYGE-AWEZNQCLSA-N 1 1 317.433 3.132 20 5 DGBDMO C[C@@H](Cc1ccc([N+](=O)[O-])cc1)[N@H+]1CC[C@]2(C1)CCCCO2 ZINC001173221685 1097371883 /nfs/dbraw/zinc/37/18/83/1097371883.db2.gz LGYRWFYXXRPWFI-YOEHRIQHSA-N 1 1 304.390 3.171 20 5 DGBDMO C[C@@H](Cc1ccc([N+](=O)[O-])cc1)[N@@H+]1CC[C@@H](N2CCCCC2)C1 ZINC001173225497 1097375267 /nfs/dbraw/zinc/37/52/67/1097375267.db2.gz COKBSJVSRUOFRF-MAUKXSAKSA-N 1 1 317.433 3.086 20 5 DGBDMO C[C@@H](Cc1ccc([N+](=O)[O-])cc1)[N@H+]1CC[C@@H](N2CCCCC2)C1 ZINC001173225497 1097375272 /nfs/dbraw/zinc/37/52/72/1097375272.db2.gz COKBSJVSRUOFRF-MAUKXSAKSA-N 1 1 317.433 3.086 20 5 DGBDMO CCCC[N@H+](CC(=O)OCC)[C@@H](C)Cc1ccc([N+](=O)[O-])cc1 ZINC001173231046 1097377134 /nfs/dbraw/zinc/37/71/34/1097377134.db2.gz JDTPZQUXMJGOQR-AWEZNQCLSA-N 1 1 322.405 3.191 20 5 DGBDMO CCCC[N@@H+](CC(=O)OCC)[C@@H](C)Cc1ccc([N+](=O)[O-])cc1 ZINC001173231046 1097377137 /nfs/dbraw/zinc/37/71/37/1097377137.db2.gz JDTPZQUXMJGOQR-AWEZNQCLSA-N 1 1 322.405 3.191 20 5 DGBDMO Cc1noc([C@@H]2CCC[N@@H+]2[C@@H](C)Cc2ccc([N+](=O)[O-])cc2)n1 ZINC001173233192 1097377416 /nfs/dbraw/zinc/37/74/16/1097377416.db2.gz JMNNKPLATJJXIV-NHYWBVRUSA-N 1 1 316.361 3.054 20 5 DGBDMO C[C@H](Cc1ccc([N+](=O)[O-])cc1)[N@H+]1CC[C@@H](COCC2CC2)C1 ZINC001173235462 1097378218 /nfs/dbraw/zinc/37/82/18/1097378218.db2.gz XKOAFSMGKRPELD-RHSMWYFYSA-N 1 1 318.417 3.274 20 5 DGBDMO C[C@H](Cc1ccc([N+](=O)[O-])cc1)[N@H+]1CC[C@@]2(C1)CCCOC2 ZINC001173234932 1097378387 /nfs/dbraw/zinc/37/83/87/1097378387.db2.gz UXGQHEINOBRBRD-RHSMWYFYSA-N 1 1 304.390 3.028 20 5 DGBDMO C[C@@H](Cc1ccc([N+](=O)[O-])cc1)[N@H+]1CCN(C)CC12CCCC2 ZINC001173238386 1097394414 /nfs/dbraw/zinc/39/44/14/1097394414.db2.gz RBUVGXFSYDZZOD-HNNXBMFYSA-N 1 1 317.433 3.086 20 5 DGBDMO C[C@@H](Cc1ccc([N+](=O)[O-])cc1)N1CC[N@H+](C)CC12CCCC2 ZINC001173238386 1097394415 /nfs/dbraw/zinc/39/44/15/1097394415.db2.gz RBUVGXFSYDZZOD-HNNXBMFYSA-N 1 1 317.433 3.086 20 5 DGBDMO C[C@@H](Cc1ccc([N+](=O)[O-])cc1)N1CC[N@@H+](C)CC12CCCC2 ZINC001173238386 1097394419 /nfs/dbraw/zinc/39/44/19/1097394419.db2.gz RBUVGXFSYDZZOD-HNNXBMFYSA-N 1 1 317.433 3.086 20 5 DGBDMO C[C@@H](C[NH+]1CCOCC1)Oc1nccc2c3ccccc3ccc21 ZINC001230202918 1097456915 /nfs/dbraw/zinc/45/69/15/1097456915.db2.gz FTVLSGZEAVRAKM-HNNXBMFYSA-N 1 1 322.408 3.488 20 5 DGBDMO Cc1ccc(O[C@H]2CCC[N@H+](C(C)C)C2)c([N+](=O)[O-])c1[N+](=O)[O-] ZINC001230492494 1097498346 /nfs/dbraw/zinc/49/83/46/1097498346.db2.gz PUDGOJICFQJRKX-LBPRGKRZSA-N 1 1 323.349 3.063 20 5 DGBDMO O=[N+]([O-])c1c(Cl)cccc1OC1CC[NH+](CCF)CC1 ZINC001230918030 1097622792 /nfs/dbraw/zinc/62/27/92/1097622792.db2.gz LVUNWUVMIVUGAR-UHFFFAOYSA-N 1 1 302.733 3.061 20 5 DGBDMO CC(C)[N@H+]1CCC[C@@H](Oc2cnc3c(cccc3[N+](=O)[O-])c2)C1 ZINC001231156854 1097683662 /nfs/dbraw/zinc/68/36/62/1097683662.db2.gz RXGUAEPCKDQJNW-CQSZACIVSA-N 1 1 315.373 3.395 20 5 DGBDMO C[N@H+]1CCC[C@@H](Oc2cnc3c(cccc3[N+](=O)[O-])c2)CC1 ZINC001231157173 1097684342 /nfs/dbraw/zinc/68/43/42/1097684342.db2.gz AMJUXDKXMHROTA-CYBMUJFWSA-N 1 1 301.346 3.006 20 5 DGBDMO C[C@H]1CC[C@H](CO)C[N@H+]1Cc1ccc2ccc3cccnc3c2n1 ZINC001232219089 1097971132 /nfs/dbraw/zinc/97/11/32/1097971132.db2.gz QNBMLIHRCRXTGS-GJZGRUSLSA-N 1 1 321.424 3.376 20 5 DGBDMO O=C1CCC[N@H+](Cc2ccc3ccc4cccnc4c3n2)CC1 ZINC001232220354 1097971586 /nfs/dbraw/zinc/97/15/86/1097971586.db2.gz MOVADQQYVTXGLX-UHFFFAOYSA-N 1 1 305.381 3.338 20 5 DGBDMO O=C1CCC[N@@H+](Cc2ccc3ccc4cccnc4c3n2)CC1 ZINC001232220354 1097971590 /nfs/dbraw/zinc/97/15/90/1097971590.db2.gz MOVADQQYVTXGLX-UHFFFAOYSA-N 1 1 305.381 3.338 20 5 DGBDMO CCO[C@@H]1CC[N@@H+](Cc2ccc3ccc4cccnc4c3n2)C1 ZINC001232226186 1097974659 /nfs/dbraw/zinc/97/46/59/1097974659.db2.gz SKIHDZRCBLNCLM-QGZVFWFLSA-N 1 1 307.397 3.394 20 5 DGBDMO CC(C)[N@H+]1CCC[C@H](Oc2c(F)cc(F)cc2[N+](=O)[O-])C1 ZINC001233698367 1098411524 /nfs/dbraw/zinc/41/15/24/1098411524.db2.gz LBZFDKGCGGZKBF-NSHDSACASA-N 1 1 300.305 3.125 20 5 DGBDMO NC(=O)[C@@]12C[C@@H]1C[N@@H+](Cc1c3ccccc3cc3ccccc31)C2 ZINC001277814418 1098445741 /nfs/dbraw/zinc/44/57/41/1098445741.db2.gz 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C[C@@H](c1nnc(-c2ccc([N+](=O)[O-])cc2)o1)[N@H+]1CCC[C@H]1C ZINC000072875163 191247402 /nfs/dbraw/zinc/24/74/02/191247402.db2.gz JTWGGZOIRVTREN-MNOVXSKESA-N 1 1 302.334 3.190 20 5 DGBDMO CN(Cc1cc(Cl)ccc1[N+](=O)[O-])CC1CC[NH+](C)CC1 ZINC000174847215 198393451 /nfs/dbraw/zinc/39/34/51/198393451.db2.gz WZVVXOKJQBOVPQ-UHFFFAOYSA-N 1 1 311.813 3.022 20 5 DGBDMO CCOC[C@H]1CCC[N@@H+](Cc2ccc([N+](=O)[O-])cc2Cl)C1 ZINC000182173242 199398841 /nfs/dbraw/zinc/39/88/41/199398841.db2.gz CSSNGIVAEWXHPO-LBPRGKRZSA-N 1 1 312.797 3.497 20 5 DGBDMO CCOc1cc(C[NH2+][C@H](C)c2ccccn2)ccc1[N+](=O)[O-] ZINC000276920525 213177926 /nfs/dbraw/zinc/17/79/26/213177926.db2.gz OYKDSQUSYOVURD-GFCCVEGCSA-N 1 1 301.346 3.239 20 5 DGBDMO Cc1ccc([N+](=O)[O-])cc1[C@H](C)SCC[NH+]1CCOCC1 ZINC000180024066 199108694 /nfs/dbraw/zinc/10/86/94/199108694.db2.gz ZUSUGRBYTNDISM-ZDUSSCGKSA-N 1 1 310.419 3.030 20 5 DGBDMO O=[N+]([O-])c1ccc(OCC[N@@H+](Cc2ccccn2)C2CC2)cc1 ZINC000180859388 199220431 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O=[N+]([O-])c1ccccc1/C=C\C[N@H+]1CCC[C@H](OCC2CC2)C1 ZINC000428385919 238018610 /nfs/dbraw/zinc/01/86/10/238018610.db2.gz CBVBLXDIDCOEDA-SVEBXFOSSA-N 1 1 316.401 3.499 20 5 DGBDMO COC[C@H]([NH2+]Cc1ccc([N+](=O)[O-])cc1OC)c1ccccc1 ZINC000430192578 238070334 /nfs/dbraw/zinc/07/03/34/238070334.db2.gz CFPLWSXJZSIKCQ-INIZCTEOSA-N 1 1 316.357 3.081 20 5 DGBDMO [NH3+]C[C@@H]1CCN(Cc2ccc(-c3ccccc3[N+](=O)[O-])s2)C1 ZINC000435395886 238300514 /nfs/dbraw/zinc/30/05/14/238300514.db2.gz VQTHSSXGVCXOHN-LBPRGKRZSA-N 1 1 317.414 3.104 20 5 DGBDMO O=[N+]([O-])c1ccc(C[N@@H+]2CC[C@H](O)C23CCCC3)c(Cl)c1 ZINC000292670405 223193591 /nfs/dbraw/zinc/19/35/91/223193591.db2.gz JCZLNCTYOMFMIW-AWEZNQCLSA-N 1 1 310.781 3.128 20 5 DGBDMO COCc1cc([N+](=O)[O-])ccc1NCC[N@H+]1CCCC(C)(C)C1 ZINC000443962801 239242249 /nfs/dbraw/zinc/24/22/49/239242249.db2.gz MWTHQARECXADEE-UHFFFAOYSA-N 1 1 321.421 3.275 20 5 DGBDMO Cc1cc([N+](=O)[O-])cc(Cl)c1NCC[NH+]1CCSCC1 ZINC000444829283 239362905 /nfs/dbraw/zinc/36/29/05/239362905.db2.gz WADAZBWLYTWTRF-UHFFFAOYSA-N 1 1 315.826 3.017 20 5 DGBDMO C[C@H](Cc1ccccc1[N+](=O)[O-])N[C@@H]1CC[N@@H+](C2CCCC2)C1 ZINC000449123206 240027736 /nfs/dbraw/zinc/02/77/36/240027736.db2.gz BNZFODZLUVYBPW-GDBMZVCRSA-N 1 1 317.433 3.132 20 5 DGBDMO C[C@H](Cc1ccccc1[N+](=O)[O-])N[C@@H]1CC[N@H+](C2CCCC2)C1 ZINC000449123206 240027742 /nfs/dbraw/zinc/02/77/42/240027742.db2.gz BNZFODZLUVYBPW-GDBMZVCRSA-N 1 1 317.433 3.132 20 5 DGBDMO C[C@H]1CN(Cc2ccc([N+](=O)[O-])cc2Cl)CC[N@H+](C2CC2)C1 ZINC000449349300 240149445 /nfs/dbraw/zinc/14/94/45/240149445.db2.gz WSXACGOBJZPIQS-LBPRGKRZSA-N 1 1 323.824 3.164 20 5 DGBDMO O=[N+]([O-])c1ccc([C@@H]2CCC[N@@H+](CC3CCOCC3)C2)cc1 ZINC000449495412 240246694 /nfs/dbraw/zinc/24/66/94/240246694.db2.gz DBRILWLTKVCHHB-MRXNPFEDSA-N 1 1 304.390 3.201 20 5 DGBDMO C[N@@H+](Cc1ccc(-c2ccc([N+](=O)[O-])cc2)o1)CC(C)(C)CO ZINC000449415089 240189971 /nfs/dbraw/zinc/18/99/71/240189971.db2.gz NDAZIXVQDVJWMP-UHFFFAOYSA-N 1 1 318.373 3.305 20 5 DGBDMO CC[C@@H]1C[N@@H+](CC)CCN1C/C=C/c1ccccc1[N+](=O)[O-] ZINC000449566974 240292030 /nfs/dbraw/zinc/29/20/30/240292030.db2.gz SPDIACPSSRSZAR-MNDMWVCDSA-N 1 1 303.406 3.024 20 5 DGBDMO C/C(=C\c1cccc([N+](=O)[O-])c1)C[N@H+]1CC[C@@H](O)CC(C)(C)C1 ZINC000449620128 240323876 /nfs/dbraw/zinc/32/38/76/240323876.db2.gz SNGWTGYEWSWITJ-RKCSUWQLSA-N 1 1 318.417 3.481 20 5 DGBDMO COc1ccc(C[N@H+]2CCC[C@@]3(CCSC3)C2)cc1[N+](=O)[O-] ZINC000449729313 240386328 /nfs/dbraw/zinc/38/63/28/240386328.db2.gz AJTAVBLDLPXLDX-MRXNPFEDSA-N 1 1 322.430 3.323 20 5 DGBDMO Cc1cc(C[N@@H+]2CCC[C@H](c3ccc([N+](=O)[O-])cc3)C2)no1 ZINC000451548746 241166749 /nfs/dbraw/zinc/16/67/49/241166749.db2.gz OGBMOJDCFWBTOU-AWEZNQCLSA-N 1 1 301.346 3.271 20 5 DGBDMO Cc1cc(C[N@H+]2CCC[C@H](c3ccc([N+](=O)[O-])cc3)C2)no1 ZINC000451548746 241166756 /nfs/dbraw/zinc/16/67/56/241166756.db2.gz OGBMOJDCFWBTOU-AWEZNQCLSA-N 1 1 301.346 3.271 20 5 DGBDMO O=[N+]([O-])c1ccc([C@@H]2CCC[N@@H+](CCOC3CCC3)C2)cc1 ZINC000451549583 241169150 /nfs/dbraw/zinc/16/91/50/241169150.db2.gz PNTDWSIINKNLHR-OAHLLOKOSA-N 1 1 304.390 3.343 20 5 DGBDMO O=[N+]([O-])c1ccc([C@@H]2CCC[N@@H+](CCc3ccncc3)C2)cc1 ZINC000451545131 241169520 /nfs/dbraw/zinc/16/95/20/241169520.db2.gz GITLFKDABMKYNU-QGZVFWFLSA-N 1 1 311.385 3.412 20 5 DGBDMO C[C@@H]1CC[C@H](C[N@H+]2CCC[C@H](c3ccc([N+](=O)[O-])cc3)C2)O1 ZINC000451554146 241170571 /nfs/dbraw/zinc/17/05/71/241170571.db2.gz ZJMKPBKHCFCSHV-UKPHBRMFSA-N 1 1 304.390 3.342 20 5 DGBDMO CCOC(=O)CCC[N@H+]1CCC[C@H](c2ccc([N+](=O)[O-])cc2)C1 ZINC000451552620 241171100 /nfs/dbraw/zinc/17/11/00/241171100.db2.gz WTDDHNOUOZXNFK-HNNXBMFYSA-N 1 1 320.389 3.118 20 5 DGBDMO O=[N+]([O-])c1cccc(Cl)c1C[N@@H+]1CCC[C@]2(CCOC2)C1 ZINC000451909989 241273823 /nfs/dbraw/zinc/27/38/23/241273823.db2.gz MFNIQHNPBJWDQO-HNNXBMFYSA-N 1 1 310.781 3.251 20 5 DGBDMO O=[N+]([O-])c1cccc(Cl)c1C[N@H+]1CCC[C@]2(CCOC2)C1 ZINC000451909989 241273826 /nfs/dbraw/zinc/27/38/26/241273826.db2.gz MFNIQHNPBJWDQO-HNNXBMFYSA-N 1 1 310.781 3.251 20 5 DGBDMO O=[N+]([O-])c1ccccc1OCC[N@H+]1CCC[C@]2(CCSC2)C1 ZINC000451965644 241285187 /nfs/dbraw/zinc/28/51/87/241285187.db2.gz MYRFKPCSIXMQDJ-INIZCTEOSA-N 1 1 322.430 3.193 20 5 DGBDMO CC[NH+](CC)CCCNC/C(C)=C/c1cccc([N+](=O)[O-])c1 ZINC000468636172 244056347 /nfs/dbraw/zinc/05/63/47/244056347.db2.gz XYFHDWIFIBVRKV-NTCAYCPXSA-N 1 1 305.422 3.320 20 5 DGBDMO CC[C@@H](CNC/C(C)=C/c1cccc([N+](=O)[O-])c1)[NH+]1CCCC1 ZINC000468626694 244056734 /nfs/dbraw/zinc/05/67/34/244056734.db2.gz HYKPPCANZLLOGX-JMPLCFMRSA-N 1 1 317.433 3.462 20 5 DGBDMO C/C(=C\c1cccc([N+](=O)[O-])c1)CNCCC[NH+]1CCCCC1 ZINC000468630530 244057325 /nfs/dbraw/zinc/05/73/25/244057325.db2.gz YVJONRHZXQORMH-DTQAZKPQSA-N 1 1 317.433 3.464 20 5 DGBDMO C[C@@H](c1cccnc1)[N@@H+](C)CCOc1ccc([N+](=O)[O-])cc1 ZINC000093227914 193219382 /nfs/dbraw/zinc/21/93/82/193219382.db2.gz DMBPODGTYYPHSR-ZDUSSCGKSA-N 1 1 301.346 3.062 20 5 DGBDMO COCc1ccc(C[N@@H+]2CCc3ccc([N+](=O)[O-])cc3C2)cc1 ZINC000093338285 193234118 /nfs/dbraw/zinc/23/41/18/193234118.db2.gz LHMGZPSWQNNBMD-UHFFFAOYSA-N 1 1 312.369 3.300 20 5 DGBDMO COCc1ccc(C[N@H+]2CCc3ccc([N+](=O)[O-])cc3C2)cc1 ZINC000093338285 193234121 /nfs/dbraw/zinc/23/41/21/193234121.db2.gz LHMGZPSWQNNBMD-UHFFFAOYSA-N 1 1 312.369 3.300 20 5 DGBDMO COC(=O)[C@@]1(C)CC[N@@H+](Cc2ccc(C(C)C)c([N+](=O)[O-])c2)C1 ZINC000093813788 193312038 /nfs/dbraw/zinc/31/20/38/193312038.db2.gz TZBODUQEEXEPDC-KRWDZBQOSA-N 1 1 320.389 3.103 20 5 DGBDMO CCC[C@@H]1CCC[N@@H+](CC(=O)N(C)c2ccc([N+](=O)[O-])cc2)C1 ZINC000120946412 284182765 /nfs/dbraw/zinc/18/27/65/284182765.db2.gz BWMOETCEDKBOJG-CQSZACIVSA-N 1 1 319.405 3.070 20 5 DGBDMO COc1cc(C[NH2+]Cc2cscc2C)c([N+](=O)[O-])cc1OC ZINC000487202958 245034785 /nfs/dbraw/zinc/03/47/85/245034785.db2.gz VHTUYZHLXWNTEM-UHFFFAOYSA-N 1 1 322.386 3.272 20 5 DGBDMO COCC[N@@H+](Cc1c(F)cccc1[N+](=O)[O-])[C@H]1CCC[C@H]1C ZINC000487965738 245129120 /nfs/dbraw/zinc/12/91/20/245129120.db2.gz URODLFBCPWPYAB-DOMZBBRYSA-N 1 1 310.369 3.371 20 5 DGBDMO C[C@H](c1nc(C2CC2)no1)[N@H+](C)CCc1cccc([N+](=O)[O-])c1 ZINC000282509996 217050643 /nfs/dbraw/zinc/05/06/43/217050643.db2.gz RXCAQJUGNUMLAP-LLVKDONJSA-N 1 1 316.361 3.091 20 5 DGBDMO C[C@H](c1nc(C2CC2)no1)[N@@H+](C)CCc1cccc([N+](=O)[O-])c1 ZINC000282509996 217050645 /nfs/dbraw/zinc/05/06/45/217050645.db2.gz RXCAQJUGNUMLAP-LLVKDONJSA-N 1 1 316.361 3.091 20 5 DGBDMO COCC[N@@H+](C)Cc1ccc(-c2ccc([N+](=O)[O-])cc2)s1 ZINC000127111403 284327884 /nfs/dbraw/zinc/32/78/84/284327884.db2.gz LJIDSKLRAXYKSK-UHFFFAOYSA-N 1 1 306.387 3.402 20 5 DGBDMO O=[N+]([O-])c1ccc(Cl)cc1C[N@@H+](C[C@@H]1CCOC1)C1CC1 ZINC000266911150 205670992 /nfs/dbraw/zinc/67/09/92/205670992.db2.gz LNMLOGNPDNISKS-NSHDSACASA-N 1 1 310.781 3.249 20 5 DGBDMO CCOc1cc(C[NH+]2CC(C)(C)OC(C)(C)C2)ccc1[N+](=O)[O-] ZINC000493683079 246040199 /nfs/dbraw/zinc/04/01/99/246040199.db2.gz PQJMQDSLDLIDGI-UHFFFAOYSA-N 1 1 322.405 3.383 20 5 DGBDMO O=[N+]([O-])c1ccc(CC[N@H+]2CCC[C@H](OCC3CC3)C2)cc1 ZINC000494655256 246176947 /nfs/dbraw/zinc/17/69/47/246176947.db2.gz PWYGCUCGHXTFAQ-KRWDZBQOSA-N 1 1 304.390 3.028 20 5 DGBDMO CC(C)Oc1ccc([N+](=O)[O-])cc1C[N@@H+]1[C@H](C)CCC[C@@H]1CO ZINC000136161107 432147385 /nfs/dbraw/zinc/14/73/85/432147385.db2.gz MNDCWTHVNUBMKA-CZUORRHYSA-N 1 1 322.405 3.117 20 5 DGBDMO CC(C)Oc1ccc([N+](=O)[O-])cc1C[N@H+]1[C@H](C)CCC[C@@H]1CO ZINC000136161107 432147387 /nfs/dbraw/zinc/14/73/87/432147387.db2.gz MNDCWTHVNUBMKA-CZUORRHYSA-N 1 1 322.405 3.117 20 5 DGBDMO C[C@@H](c1cccc(O)c1)[N@@H+](C)CCOc1cccc([N+](=O)[O-])c1 ZINC000109784871 194284461 /nfs/dbraw/zinc/28/44/61/194284461.db2.gz MEKPGJTZZJGVEK-ZDUSSCGKSA-N 1 1 316.357 3.372 20 5 DGBDMO C[N@H+]1CCC[C@@H]2CN(Cc3cc(Cl)ccc3[N+](=O)[O-])CC[C@H]21 ZINC000269003514 207159449 /nfs/dbraw/zinc/15/94/49/207159449.db2.gz PXLMMPJVKYKLIJ-IUODEOHRSA-N 1 1 323.824 3.164 20 5 DGBDMO CCOC(=O)CCCC[N@@H+](Cc1cccc([N+](=O)[O-])c1)C1CC1 ZINC000269110065 207246834 /nfs/dbraw/zinc/24/68/34/207246834.db2.gz WZDKKUAQOFMYSZ-UHFFFAOYSA-N 1 1 320.389 3.293 20 5 DGBDMO O=[N+]([O-])c1cc(Cl)ccc1C[NH2+][C@H](CO)c1ccccc1 ZINC000063002116 184265379 /nfs/dbraw/zinc/26/53/79/184265379.db2.gz KSUYLLDXZYOCTF-CQSZACIVSA-N 1 1 306.749 3.071 20 5 DGBDMO Cc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@H+](C(C)C)C1CC1 ZINC000063492996 184283732 /nfs/dbraw/zinc/28/37/32/184283732.db2.gz ZNLPCNUKXBMKHH-UHFFFAOYSA-N 1 1 305.378 3.105 20 5 DGBDMO CC(C)C[C@H]1CCC[N@H+]1CCC(=O)Nc1ccccc1[N+](=O)[O-] ZINC000337330023 253088920 /nfs/dbraw/zinc/08/89/20/253088920.db2.gz FYBYEUXTTDXYLH-CQSZACIVSA-N 1 1 319.405 3.434 20 5 DGBDMO Cc1[nH+]ccn1CCCN(C)c1ccc([N+](=O)[O-])cc1Cl ZINC000120183558 195114186 /nfs/dbraw/zinc/11/41/86/195114186.db2.gz SEASSXQHYPOUMX-UHFFFAOYSA-N 1 1 308.769 3.280 20 5 DGBDMO C[N@@H+](CCCC(=O)OC(C)(C)C)CCc1cccc([N+](=O)[O-])c1 ZINC000338353082 253270655 /nfs/dbraw/zinc/27/06/55/253270655.db2.gz XTLHVMYVKQADIS-UHFFFAOYSA-N 1 1 322.405 3.191 20 5 DGBDMO Cc1nc(C[N@H+](C)CCc2cccc([N+](=O)[O-])c2)c(C)s1 ZINC000338353043 253270702 /nfs/dbraw/zinc/27/07/02/253270702.db2.gz XAVYBUMOSSHNPK-UHFFFAOYSA-N 1 1 305.403 3.343 20 5 DGBDMO Cc1nc(C[N@@H+](C)CCc2cccc([N+](=O)[O-])c2)c(C)s1 ZINC000338353043 253270704 /nfs/dbraw/zinc/27/07/04/253270704.db2.gz XAVYBUMOSSHNPK-UHFFFAOYSA-N 1 1 305.403 3.343 20 5 DGBDMO O=[N+]([O-])c1ccc(C[N@H+]2CC[C@@]3(C2)OCc2ccccc23)cc1 ZINC000186441495 285114105 /nfs/dbraw/zinc/11/41/05/285114105.db2.gz ROPQYEWHUGUOSQ-SFHVURJKSA-N 1 1 310.353 3.226 20 5 DGBDMO Cc1nc(N[C@H](C)[C@H]2CCC[N@H+](C3CCC3)C2)ccc1[N+](=O)[O-] ZINC000272904188 210290783 /nfs/dbraw/zinc/29/07/83/210290783.db2.gz IZXZSJPNLMQBHQ-OCCSQVGLSA-N 1 1 318.421 3.363 20 5 DGBDMO COc1ccc(C[NH2+][C@@H]2c3ccccc3O[C@@H]2C)cc1[N+](=O)[O-] ZINC000288682543 220344987 /nfs/dbraw/zinc/34/49/87/220344987.db2.gz XFZRDXQORYBVPM-DIFFPNOSSA-N 1 1 314.341 3.215 20 5 DGBDMO O=[N+]([O-])c1cccc(Cl)c1C[N@H+]1CCC[C@@H]2COCC[C@H]21 ZINC000493332961 285153220 /nfs/dbraw/zinc/15/32/20/285153220.db2.gz DONHXGNXGNEXCE-BXUZGUMPSA-N 1 1 310.781 3.249 20 5 DGBDMO O=[N+]([O-])c1cccc(Cl)c1C[N@H+]1CC[C@H](C2CCOCC2)C1 ZINC000492290935 285154502 /nfs/dbraw/zinc/15/45/02/285154502.db2.gz HICTYTWPJGKLQQ-ZDUSSCGKSA-N 1 1 324.808 3.497 20 5 DGBDMO Cc1ccc(C[N@H+](CCn2cc([N+](=O)[O-])cn2)C(C)C)s1 ZINC000157794142 197215788 /nfs/dbraw/zinc/21/57/88/197215788.db2.gz VJSDRRRNOCFSOG-UHFFFAOYSA-N 1 1 308.407 3.072 20 5 DGBDMO C[N@@H+]1CC=C(CNc2ccc(C(F)(F)F)cc2[N+](=O)[O-])CC1 ZINC000342784859 254049347 /nfs/dbraw/zinc/04/93/47/254049347.db2.gz LAMHWWGLVDEFGR-UHFFFAOYSA-N 1 1 315.295 3.287 20 5 DGBDMO Cc1c(C[N@H+](C)[C@H](CO)c2ccccc2)cccc1[N+](=O)[O-] ZINC000343116005 254102011 /nfs/dbraw/zinc/10/20/11/254102011.db2.gz DBXZDNBZTRHEHX-QGZVFWFLSA-N 1 1 300.358 3.069 20 5 DGBDMO CSCCC[N@@H+](C)Cc1cc([N+](=O)[O-])ccc1OC(F)F ZINC000343662674 254174987 /nfs/dbraw/zinc/17/49/87/254174987.db2.gz SAPSXFGMBLJDRJ-UHFFFAOYSA-N 1 1 320.361 3.381 20 5 DGBDMO C[C@H](C(=O)Nc1cccc([N+](=O)[O-])c1)[N@@H+](C)C[C@H]1CC=CCC1 ZINC000344032905 254216281 /nfs/dbraw/zinc/21/62/81/254216281.db2.gz FDONCBYYWKMERV-KGLIPLIRSA-N 1 1 317.389 3.210 20 5 DGBDMO CCC(CC)[N@@H+](CC)CCC(=O)Nc1ccccc1[N+](=O)[O-] ZINC000344032916 254216297 /nfs/dbraw/zinc/21/62/97/254216297.db2.gz FFGIIQLAHCMHSS-UHFFFAOYSA-N 1 1 307.394 3.434 20 5 DGBDMO CC[N@@H+](C)Cc1cccc(CNc2ccc([N+](=O)[O-])nc2)c1 ZINC000344422868 254269446 /nfs/dbraw/zinc/26/94/46/254269446.db2.gz CNIOYJNQBMKRCP-UHFFFAOYSA-N 1 1 300.362 3.054 20 5 DGBDMO COc1cc([N+](=O)[O-])ccc1C[NH2+][C@@H](C)c1cccc(O)c1 ZINC000430197687 533136758 /nfs/dbraw/zinc/13/67/58/533136758.db2.gz WEEYXLILOJCDQV-NSHDSACASA-N 1 1 302.330 3.160 20 5 DGBDMO CC[N@@H+](Cc1cc([N+](=O)[O-])ccc1OC)[C@H]1CCOC(C)(C)C1 ZINC000289844076 285243468 /nfs/dbraw/zinc/24/34/68/285243468.db2.gz PGNRNGAZCHYLOB-HNNXBMFYSA-N 1 1 322.405 3.383 20 5 DGBDMO C[C@@H](CO)[N@@H+](C)Cc1ccc(-c2ccccc2[N+](=O)[O-])s1 ZINC000289404831 220948152 /nfs/dbraw/zinc/94/81/52/220948152.db2.gz GZVJWVSFHVBYPD-NSHDSACASA-N 1 1 306.387 3.136 20 5 DGBDMO Cc1ccncc1CCC[N@H+](C)CCc1cccc([N+](=O)[O-])c1 ZINC000289483744 221008393 /nfs/dbraw/zinc/00/83/93/221008393.db2.gz BBMDOLXBWQDWFJ-UHFFFAOYSA-N 1 1 313.401 3.405 20 5 DGBDMO COc1ccc([N+](=O)[O-])cc1C[N@H+]1CCC[C@@H](CSC)C1 ZINC000292441152 533219038 /nfs/dbraw/zinc/21/90/38/533219038.db2.gz OLXHWSOZHLWKHA-GFCCVEGCSA-N 1 1 310.419 3.178 20 5 DGBDMO Cc1c(C[N@@H+]2CC[C@@H](n3cc(Cl)cn3)C2)cccc1[N+](=O)[O-] ZINC000289781919 221223395 /nfs/dbraw/zinc/22/33/95/221223395.db2.gz HDFXFBBEMJKZOK-CQSZACIVSA-N 1 1 320.780 3.200 20 5 DGBDMO Cc1c(C[N@H+]2CC[C@@H](n3cc(Cl)cn3)C2)cccc1[N+](=O)[O-] ZINC000289781919 221223397 /nfs/dbraw/zinc/22/33/97/221223397.db2.gz HDFXFBBEMJKZOK-CQSZACIVSA-N 1 1 320.780 3.200 20 5 DGBDMO CC[N@@H+](CCc1ccc([N+](=O)[O-])cc1)[C@@H]1CCOC(C)(C)C1 ZINC000289798676 221232717 /nfs/dbraw/zinc/23/27/17/221232717.db2.gz MUJZIRQFZRCTDX-MRXNPFEDSA-N 1 1 306.406 3.417 20 5 DGBDMO C/C(=C/c1cccc([N+](=O)[O-])c1)C[N@H+](C)[C@@H]1CCCC[C@H]1O ZINC000470200358 533382270 /nfs/dbraw/zinc/38/22/70/533382270.db2.gz AQNQBWYILZIVCB-YVYLTUATSA-N 1 1 304.390 3.233 20 5 DGBDMO C/C(=C/c1cccc([N+](=O)[O-])c1)C[N@@H+](C[C@@H]1CCOC1)C1CC1 ZINC000470178859 533382908 /nfs/dbraw/zinc/38/29/08/533382908.db2.gz OXLCCDNSOMTEFU-MBSJSRAVSA-N 1 1 316.401 3.499 20 5 DGBDMO C/C(=C/c1cccc([N+](=O)[O-])c1)CN1CC[N@H+](C)CC[C@@H]1C ZINC000470176769 533383165 /nfs/dbraw/zinc/38/31/65/533383165.db2.gz YZJOZOHNRSRYEP-SZGZABIGSA-N 1 1 303.406 3.024 20 5 DGBDMO C/C(=C/c1cccc([N+](=O)[O-])c1)C[N@H+]1CCN(C)CC[C@@H]1C ZINC000470176769 533383170 /nfs/dbraw/zinc/38/31/70/533383170.db2.gz YZJOZOHNRSRYEP-SZGZABIGSA-N 1 1 303.406 3.024 20 5 DGBDMO C/C(=C/c1cccc([N+](=O)[O-])c1)C[N@@H+]1CCN(C)CC[C@@H]1C ZINC000470176769 533383172 /nfs/dbraw/zinc/38/31/72/533383172.db2.gz YZJOZOHNRSRYEP-SZGZABIGSA-N 1 1 303.406 3.024 20 5 DGBDMO C/C(=C\c1cccc([N+](=O)[O-])c1)C[N@H+](C)CC1(O)CCCC1 ZINC000470182828 533407128 /nfs/dbraw/zinc/40/71/28/533407128.db2.gz NJYVFRHINOMGCN-GXDHUFHOSA-N 1 1 304.390 3.235 20 5 DGBDMO C/C(=C\c1cccc([N+](=O)[O-])c1)CN1CC[N@H+](C)CC[C@H]1C ZINC000470176766 533407748 /nfs/dbraw/zinc/40/77/48/533407748.db2.gz YZJOZOHNRSRYEP-ATGUSINASA-N 1 1 303.406 3.024 20 5 DGBDMO C/C(=C\c1cccc([N+](=O)[O-])c1)C[N@H+]1CCN(C)CC[C@H]1C ZINC000470176766 533407751 /nfs/dbraw/zinc/40/77/51/533407751.db2.gz YZJOZOHNRSRYEP-ATGUSINASA-N 1 1 303.406 3.024 20 5 DGBDMO C/C(=C\c1cccc([N+](=O)[O-])c1)C[N@@H+]1CCN(C)CC[C@H]1C ZINC000470176766 533407754 /nfs/dbraw/zinc/40/77/54/533407754.db2.gz YZJOZOHNRSRYEP-ATGUSINASA-N 1 1 303.406 3.024 20 5 DGBDMO C/C(=C\c1cccc([N+](=O)[O-])c1)C[NH2+]Cc1nn(C)cc1Cl ZINC000449481960 533408447 /nfs/dbraw/zinc/40/84/47/533408447.db2.gz WWXVLXAHJAJOSI-IZZDOVSWSA-N 1 1 320.780 3.175 20 5 DGBDMO C[C@H]1CC[N@@H+](Cc2nc3cc([N+](=O)[O-])ccc3[nH]2)C[C@H](C)C1 ZINC000444659902 533646656 /nfs/dbraw/zinc/64/66/56/533646656.db2.gz FJVUWXMWVJPVIJ-NWDGAFQWSA-N 1 1 302.378 3.339 20 5 DGBDMO O=[N+]([O-])c1c(N[C@@H]2CC[N@H+]3CCCC[C@H]23)ccc2ncccc21 ZINC000066405011 400086588 /nfs/dbraw/zinc/08/65/88/400086588.db2.gz FSKWDAOUHOUXAX-GDBMZVCRSA-N 1 1 312.373 3.182 20 5 DGBDMO COc1cc([N+](=O)[O-])ccc1[C@H](C)NCC[N@H+]1CCCC1(C)C ZINC000595043763 400086622 /nfs/dbraw/zinc/08/66/22/400086622.db2.gz AAUBLWLRAPFCSS-ZDUSSCGKSA-N 1 1 321.421 3.128 20 5 DGBDMO CC(C)(C)[N@@H+]1CC[C@@H](N[C@H]2CCCc3ccc([N+](=O)[O-])cc32)C1 ZINC000595056400 400092848 /nfs/dbraw/zinc/09/28/48/400092848.db2.gz GYTLFXZAWNACAI-PBHICJAKSA-N 1 1 317.433 3.435 20 5 DGBDMO CC(C)(C)[N@H+]1CC[C@@H](N[C@H]2CCCc3ccc([N+](=O)[O-])cc32)C1 ZINC000595056400 400092850 /nfs/dbraw/zinc/09/28/50/400092850.db2.gz GYTLFXZAWNACAI-PBHICJAKSA-N 1 1 317.433 3.435 20 5 DGBDMO CC(C)(C)[N@@H+]1CC[C@@H](N[C@H]2CCc3c2cccc3[N+](=O)[O-])C1 ZINC000595056683 400092875 /nfs/dbraw/zinc/09/28/75/400092875.db2.gz QODUYMDZGOGSMQ-DOMZBBRYSA-N 1 1 303.406 3.045 20 5 DGBDMO CC(C)(C)[N@H+]1CC[C@@H](N[C@H]2CCc3c2cccc3[N+](=O)[O-])C1 ZINC000595056683 400092878 /nfs/dbraw/zinc/09/28/78/400092878.db2.gz QODUYMDZGOGSMQ-DOMZBBRYSA-N 1 1 303.406 3.045 20 5 DGBDMO CC(C)(C)[N@@H+]1CC[C@H](N[C@H]2CCCc3ccc([N+](=O)[O-])cc32)C1 ZINC000595056403 400093381 /nfs/dbraw/zinc/09/33/81/400093381.db2.gz GYTLFXZAWNACAI-YOEHRIQHSA-N 1 1 317.433 3.435 20 5 DGBDMO CC(C)(C)[N@H+]1CC[C@H](N[C@H]2CCCc3ccc([N+](=O)[O-])cc32)C1 ZINC000595056403 400093385 /nfs/dbraw/zinc/09/33/85/400093385.db2.gz GYTLFXZAWNACAI-YOEHRIQHSA-N 1 1 317.433 3.435 20 5 DGBDMO C[C@H](c1cccc([N+](=O)[O-])c1)N1CCC[C@]2(CC[N@@H+](C)C2)C1 ZINC000595507949 400172736 /nfs/dbraw/zinc/17/27/36/400172736.db2.gz SCCLGTRPRVHGQY-RHSMWYFYSA-N 1 1 303.406 3.074 20 5 DGBDMO O=[N+]([O-])c1cccc(OCC[N@H+]2CC[C@@H](c3ccco3)C2)c1 ZINC000609540478 400174294 /nfs/dbraw/zinc/17/42/94/400174294.db2.gz ZODKLAVPKDLRFC-CYBMUJFWSA-N 1 1 302.330 3.056 20 5 DGBDMO CC(C)C[N@H+](Cc1cnn(C)c1)Cc1ccc(F)cc1[N+](=O)[O-] ZINC000595528242 400178320 /nfs/dbraw/zinc/17/83/20/400178320.db2.gz BBADAINJVVEYRJ-UHFFFAOYSA-N 1 1 320.368 3.126 20 5 DGBDMO CC(C)C[N@@H+](Cc1cnn(C)c1)Cc1ccc(F)cc1[N+](=O)[O-] ZINC000595528242 400178324 /nfs/dbraw/zinc/17/83/24/400178324.db2.gz BBADAINJVVEYRJ-UHFFFAOYSA-N 1 1 320.368 3.126 20 5 DGBDMO CC[N@H+]1CCCN(Cc2ccc([N+](=O)[O-])cc2Cl)[C@@H](C)C1 ZINC000595536185 400179271 /nfs/dbraw/zinc/17/92/71/400179271.db2.gz OJYNVNMBUICAPR-LBPRGKRZSA-N 1 1 311.813 3.164 20 5 DGBDMO CC[N@H+]1CCCN(Cc2ccc(Cl)cc2[N+](=O)[O-])[C@@H](C)C1 ZINC000595536177 400179798 /nfs/dbraw/zinc/17/97/98/400179798.db2.gz OFJWPEHURKOYHL-LBPRGKRZSA-N 1 1 311.813 3.164 20 5 DGBDMO C[C@@H]1CCCC[N@H+]1C[C@@H]1CCCN(c2cccnc2[N+](=O)[O-])C1 ZINC000609613662 400180930 /nfs/dbraw/zinc/18/09/30/400180930.db2.gz HCWHKMVZYLQRDH-CABCVRRESA-N 1 1 318.421 3.081 20 5 DGBDMO C[C@H]1CCCC[N@H+]1C[C@@H]1CCCN(c2cccnc2[N+](=O)[O-])C1 ZINC000609613663 400181249 /nfs/dbraw/zinc/18/12/49/400181249.db2.gz HCWHKMVZYLQRDH-GJZGRUSLSA-N 1 1 318.421 3.081 20 5 DGBDMO Cc1noc(C[N@H+]2CCc3ccccc3[C@H](C)C2)c1[N+](=O)[O-] ZINC000595564723 400189084 /nfs/dbraw/zinc/18/90/84/400189084.db2.gz VDAZMIBKGTUIMZ-LLVKDONJSA-N 1 1 301.346 3.053 20 5 DGBDMO O=[N+]([O-])c1ccc(Nc2cccc(C[NH+]3CCOCC3)c2)cc1 ZINC000091475947 400121641 /nfs/dbraw/zinc/12/16/41/400121641.db2.gz PLVYMVOGZBKONM-UHFFFAOYSA-N 1 1 313.357 3.171 20 5 DGBDMO Cc1noc(C[N@H+]2CCC[C@H]2Cc2ccc(C)cc2)c1[N+](=O)[O-] ZINC000595321026 400127442 /nfs/dbraw/zinc/12/74/42/400127442.db2.gz VTJMDAOUCSKFLA-HNNXBMFYSA-N 1 1 315.373 3.407 20 5 DGBDMO CCOCCC[N@H+]1CC[C@@H](Nc2ccc([N+](=O)[O-])cc2)[C@H](C)C1 ZINC000609671492 400185891 /nfs/dbraw/zinc/18/58/91/400185891.db2.gz XEQMVVDKJPIXPN-RHSMWYFYSA-N 1 1 321.421 3.144 20 5 DGBDMO Cc1noc(C[N@H+]2CC[C@](C)(c3ccccc3)C2)c1[N+](=O)[O-] ZINC000595339427 400131262 /nfs/dbraw/zinc/13/12/62/400131262.db2.gz OQODLODRUVVEOQ-INIZCTEOSA-N 1 1 301.346 3.055 20 5 DGBDMO CO[C@H](C[N@@H+](Cc1cccc([N+](=O)[O-])c1)C1CC1)C1CCC1 ZINC000595353163 400133429 /nfs/dbraw/zinc/13/34/29/400133429.db2.gz NEIHGENCSDEJJV-QGZVFWFLSA-N 1 1 304.390 3.374 20 5 DGBDMO C[C@H]([NH2+]Cc1ccc(F)cc1[N+](=O)[O-])c1ccc2c(c1)OCO2 ZINC000595411469 400142510 /nfs/dbraw/zinc/14/25/10/400142510.db2.gz QPANGWGNTDMLLU-JTQLQIEISA-N 1 1 318.304 3.313 20 5 DGBDMO C[C@@H]([NH2+]Cc1cnn(C(C)(C)C)c1)c1ccccc1[N+](=O)[O-] ZINC000595427081 400146743 /nfs/dbraw/zinc/14/67/43/400146743.db2.gz XEIJCKIAIBDEFT-GFCCVEGCSA-N 1 1 302.378 3.397 20 5 DGBDMO CCOc1ccc(C[N@@H+](C)CCc2ccccc2[N+](=O)[O-])nc1 ZINC000586773207 400153327 /nfs/dbraw/zinc/15/33/27/400153327.db2.gz OSZNTAWTPANWPN-UHFFFAOYSA-N 1 1 315.373 3.063 20 5 DGBDMO CC(C)C[C@@]1(CO)CCC[N@H+]1Cc1ccc(F)cc1[N+](=O)[O-] ZINC000595459279 400157697 /nfs/dbraw/zinc/15/76/97/400157697.db2.gz YZSHJCASCBHNDC-MRXNPFEDSA-N 1 1 310.369 3.107 20 5 DGBDMO CC(C)C[C@]1(CO)CCC[N@H+]1Cc1ccc(F)cc1[N+](=O)[O-] ZINC000595459278 400157751 /nfs/dbraw/zinc/15/77/51/400157751.db2.gz YZSHJCASCBHNDC-INIZCTEOSA-N 1 1 310.369 3.107 20 5 DGBDMO CC(C)[N@H+]1CC[C@@H](CNc2ccc3ncccc3c2[N+](=O)[O-])C1 ZINC000320414502 400165093 /nfs/dbraw/zinc/16/50/93/400165093.db2.gz YDSSSIAOBFZDND-ZDUSSCGKSA-N 1 1 314.389 3.285 20 5 DGBDMO O=[N+]([O-])c1ccc(N2CCC[C@H](c3[nH]cc[nH+]3)C2)c2ncccc12 ZINC000092649370 400188229 /nfs/dbraw/zinc/18/82/29/400188229.db2.gz UYFPIAFVKOALHP-LBPRGKRZSA-N 1 1 323.356 3.250 20 5 DGBDMO O=[N+]([O-])c1cc(F)ccc1C[N@H+]1CC[C@@H](c2cccnc2)C1 ZINC000595561261 400188345 /nfs/dbraw/zinc/18/83/45/400188345.db2.gz DMCLWYIFTZJAMW-CYBMUJFWSA-N 1 1 301.321 3.118 20 5 DGBDMO CC(C)c1ccc(C[N@H+]2CCC[C@@H](CCO)C2)cc1[N+](=O)[O-] ZINC000093106592 400226334 /nfs/dbraw/zinc/22/63/34/400226334.db2.gz HBECCFXFZYOQNM-AWEZNQCLSA-N 1 1 306.406 3.313 20 5 DGBDMO COC(=O)C(C)(C)[C@@H]1CCC[N@@H+](Cc2ccccc2[N+](=O)[O-])C1 ZINC000093278842 400236371 /nfs/dbraw/zinc/23/63/71/400236371.db2.gz UAYYJYZTHNQPBA-CQSZACIVSA-N 1 1 320.389 3.006 20 5 DGBDMO COC(=O)C(C)(C)[C@H]1CCC[N@@H+](Cc2ccccc2[N+](=O)[O-])C1 ZINC000093278843 400236427 /nfs/dbraw/zinc/23/64/27/400236427.db2.gz UAYYJYZTHNQPBA-AWEZNQCLSA-N 1 1 320.389 3.006 20 5 DGBDMO CCOC[C@H]1CCN(c2cc[nH+]c3ccc([N+](=O)[O-])cc32)C1 ZINC000601123623 400240450 /nfs/dbraw/zinc/24/04/50/400240450.db2.gz GYCFRWZRSIGZHW-LBPRGKRZSA-N 1 1 301.346 3.006 20 5 DGBDMO COC1(C)CCN(c2cc[nH+]c3ccc([N+](=O)[O-])cc32)CC1 ZINC000601137974 400245595 /nfs/dbraw/zinc/24/55/95/400245595.db2.gz LIILCAQYBVQUIB-UHFFFAOYSA-N 1 1 301.346 3.148 20 5 DGBDMO CC(C)OCCCCNc1cc[nH+]c2ccc([N+](=O)[O-])cc12 ZINC000601140917 400246944 /nfs/dbraw/zinc/24/69/44/400246944.db2.gz DBNDDSZQUWDFFQ-UHFFFAOYSA-N 1 1 303.362 3.182 20 5 DGBDMO CN(C/C=C/c1ccccc1[N+](=O)[O-])CC[C@H]1CCCC[N@H+]1C ZINC000093659940 400251403 /nfs/dbraw/zinc/25/14/03/400251403.db2.gz GVFJOUPLDPHVNB-UGAXZCSASA-N 1 1 317.433 3.414 20 5 DGBDMO Cc1noc(C[N@H+]2CCc3ccc(F)cc3[C@H](C)C2)c1[N+](=O)[O-] ZINC000595564753 400189542 /nfs/dbraw/zinc/18/95/42/400189542.db2.gz VEAMFBSDORZOMP-SNVBAGLBSA-N 1 1 319.336 3.192 20 5 DGBDMO CC(C)Oc1ccc([N+](=O)[O-])cc1C[N@@H+]1CCCOC(C)(C)C1 ZINC000609766670 400190074 /nfs/dbraw/zinc/19/00/74/400190074.db2.gz BJWQKAIVYCSOOW-UHFFFAOYSA-N 1 1 322.405 3.383 20 5 DGBDMO CC(C)Oc1ccc([N+](=O)[O-])cc1C[N@H+]1CCCOC(C)(C)C1 ZINC000609766670 400190078 /nfs/dbraw/zinc/19/00/78/400190078.db2.gz BJWQKAIVYCSOOW-UHFFFAOYSA-N 1 1 322.405 3.383 20 5 DGBDMO CCOc1cc(N[C@H]2C[C@H](C)[N@H+](C3CC3)C2)ccc1[N+](=O)[O-] ZINC000092672296 400192586 /nfs/dbraw/zinc/19/25/86/400192586.db2.gz MQUHHNKKEVJERL-AAEUAGOBSA-N 1 1 305.378 3.031 20 5 DGBDMO O=[N+]([O-])c1ccc(CC[N@H+]2CCC[C@H]([C@@H]3CCCCO3)C2)cc1 ZINC000595792270 400263034 /nfs/dbraw/zinc/26/30/34/400263034.db2.gz ZBLDAVMPSVOOPN-WMZOPIPTSA-N 1 1 318.417 3.418 20 5 DGBDMO C[N@@H+](CCc1ccccc1[N+](=O)[O-])Cc1[nH]nc2ccccc21 ZINC000589183810 400270711 /nfs/dbraw/zinc/27/07/11/400270711.db2.gz QYQSMVAFNHCULE-UHFFFAOYSA-N 1 1 310.357 3.146 20 5 DGBDMO C[N@H+](CCc1ccccc1[N+](=O)[O-])Cc1n[nH]c2ccccc21 ZINC000589183810 400270717 /nfs/dbraw/zinc/27/07/17/400270717.db2.gz QYQSMVAFNHCULE-UHFFFAOYSA-N 1 1 310.357 3.146 20 5 DGBDMO C[N@@H+](CCc1ccccc1[N+](=O)[O-])Cc1n[nH]c2ccccc21 ZINC000589183810 400270722 /nfs/dbraw/zinc/27/07/22/400270722.db2.gz QYQSMVAFNHCULE-UHFFFAOYSA-N 1 1 310.357 3.146 20 5 DGBDMO COc1cccc(C[N@@H+](C)CCc2ccccc2[N+](=O)[O-])c1F ZINC000589185025 400270950 /nfs/dbraw/zinc/27/09/50/400270950.db2.gz OXSZUANKUFKLQC-UHFFFAOYSA-N 1 1 318.348 3.417 20 5 DGBDMO C[N@H+]1CCC[C@@H](CNc2ccc(C(F)(F)F)c([N+](=O)[O-])c2)C1 ZINC000596119848 400323387 /nfs/dbraw/zinc/32/33/87/400323387.db2.gz QJRBRXYDGUHUMO-JTQLQIEISA-N 1 1 317.311 3.367 20 5 DGBDMO Cc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@H+](C)C[C@H]1CC1(C)C ZINC000595909055 400292574 /nfs/dbraw/zinc/29/25/74/400292574.db2.gz LPBVHCRNEKURKN-CYBMUJFWSA-N 1 1 319.405 3.210 20 5 DGBDMO CC[C@@H](C)[C@H](C)[N@@H+](CC(=O)Nc1ccccc1[N+](=O)[O-])C1CC1 ZINC000106439908 400326061 /nfs/dbraw/zinc/32/60/61/400326061.db2.gz GSGBAHGKMXKLIP-OLZOCXBDSA-N 1 1 319.405 3.432 20 5 DGBDMO O=[N+]([O-])c1ccccc1C[NH2+][C@H](Cn1cccn1)c1ccccc1 ZINC000610432849 400258549 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C[C@H]1C[C@H]1C[N@@H+](Cc1ccccc1[N+](=O)[O-])[C@H]1CC[C@H](O)CC1 ZINC000599444464 401050727 /nfs/dbraw/zinc/05/07/27/401050727.db2.gz XFXRSRLVPVSLPG-HJWJTTGWSA-N 1 1 318.417 3.356 20 5 DGBDMO CC[C@H](C)[N@@H+](C)CCN[C@H]1CCCc2ccc([N+](=O)[O-])cc21 ZINC000248883651 401079506 /nfs/dbraw/zinc/07/95/06/401079506.db2.gz LLPBYZMGILTPLL-GUYCJALGSA-N 1 1 305.422 3.292 20 5 DGBDMO CC[C@H](C)N(C)CC[NH2+][C@H]1CCCc2ccc([N+](=O)[O-])cc21 ZINC000248883651 401079513 /nfs/dbraw/zinc/07/95/13/401079513.db2.gz LLPBYZMGILTPLL-GUYCJALGSA-N 1 1 305.422 3.292 20 5 DGBDMO CC(C)c1cc(C[NH2+][C@@H]2CCc3c2cccc3[N+](=O)[O-])on1 ZINC000594494388 401079849 /nfs/dbraw/zinc/07/98/49/401079849.db2.gz ABQFRKDJFWJHLI-CQSZACIVSA-N 1 1 301.346 3.483 20 5 DGBDMO COC1CCC([N@@H+](C)CCCOc2ccc([N+](=O)[O-])cc2)CC1 ZINC000265167826 401124073 /nfs/dbraw/zinc/12/40/73/401124073.db2.gz AOIVPRYIXSHIGV-UHFFFAOYSA-N 1 1 322.405 3.253 20 5 DGBDMO C[C@@H](O)C[N@@H+](Cc1ccc(-c2ccc([N+](=O)[O-])cc2)o1)C1CC1 ZINC000594615411 401135840 /nfs/dbraw/zinc/13/58/40/401135840.db2.gz OHRMZYXTTOOGAX-GFCCVEGCSA-N 1 1 316.357 3.200 20 5 DGBDMO CC[N@H+](C/C(C)=C\c1cccc([N+](=O)[O-])c1)C[C@H]1CCOC1 ZINC000615833510 401161396 /nfs/dbraw/zinc/16/13/96/401161396.db2.gz VASDHWZUSNJYPM-IHWMJMDHSA-N 1 1 304.390 3.357 20 5 DGBDMO C[N@@H+](CCn1ccc([N+](=O)[O-])n1)Cc1ccc2ccccc2c1 ZINC000358259163 286013397 /nfs/dbraw/zinc/01/33/97/286013397.db2.gz GQFJOKQMPZDCNF-UHFFFAOYSA-N 1 1 310.357 3.077 20 5 DGBDMO Cc1nc(C[N@@H+]2CCC[C@H](c3ccc([N+](=O)[O-])cc3)C2)[nH]c1C ZINC000600168715 401204883 /nfs/dbraw/zinc/20/48/83/401204883.db2.gz NLKHFTJFRVSEAC-HNNXBMFYSA-N 1 1 314.389 3.314 20 5 DGBDMO Cc1nc(C[N@H+]2CCC[C@H](c3ccc([N+](=O)[O-])cc3)C2)[nH]c1C ZINC000600168715 401204892 /nfs/dbraw/zinc/20/48/92/401204892.db2.gz NLKHFTJFRVSEAC-HNNXBMFYSA-N 1 1 314.389 3.314 20 5 DGBDMO CC[C@H](C)[N@@H+](CCO)Cc1ccc(-c2ccc([N+](=O)[O-])cc2)o1 ZINC000600169461 401206659 /nfs/dbraw/zinc/20/66/59/401206659.db2.gz UCSBVBAVAKINJT-ZDUSSCGKSA-N 1 1 318.373 3.448 20 5 DGBDMO COc1cccc2c1OCC[C@@H]2[NH2+]Cc1ccccc1[N+](=O)[O-] ZINC000089512001 401225458 /nfs/dbraw/zinc/22/54/58/401225458.db2.gz AKHJVIANBHCQHZ-AWEZNQCLSA-N 1 1 314.341 3.217 20 5 DGBDMO COC[C@H]([NH2+]Cc1cccc([N+](=O)[O-])c1)c1cccc(OC)c1 ZINC000594969401 401214152 /nfs/dbraw/zinc/21/41/52/401214152.db2.gz PFBYIRPCJYJJAD-KRWDZBQOSA-N 1 1 316.357 3.081 20 5 DGBDMO O=[N+]([O-])c1cccc(CN[C@@H]2CC[N@H+](C3CCCCC3)C2)c1 ZINC000594977267 401216065 /nfs/dbraw/zinc/21/60/65/401216065.db2.gz ITNDPQCMKOAXOK-OAHLLOKOSA-N 1 1 303.406 3.091 20 5 DGBDMO O=[N+]([O-])c1cccc(C[NH2+][C@@H]2CCN(C3CCCCC3)C2)c1 ZINC000594977267 401216070 /nfs/dbraw/zinc/21/60/70/401216070.db2.gz ITNDPQCMKOAXOK-OAHLLOKOSA-N 1 1 303.406 3.091 20 5 DGBDMO CCC[N@@H+]1CC[C@H](NC/C(C)=C/c2cccc([N+](=O)[O-])c2)C1 ZINC000594991916 401220023 /nfs/dbraw/zinc/22/00/23/401220023.db2.gz NKPZNWNQKZKIIA-DKGMDFAASA-N 1 1 303.406 3.072 20 5 DGBDMO CCC[N@H+]1CC[C@H](NC/C(C)=C/c2cccc([N+](=O)[O-])c2)C1 ZINC000594991916 401220033 /nfs/dbraw/zinc/22/00/33/401220033.db2.gz NKPZNWNQKZKIIA-DKGMDFAASA-N 1 1 303.406 3.072 20 5 DGBDMO Cc1cccc(C[NH+]2CCN(c3ccsc3[N+](=O)[O-])CC2)c1 ZINC000063256298 401185240 /nfs/dbraw/zinc/18/52/40/401185240.db2.gz HPGRCKMPEQTBJB-UHFFFAOYSA-N 1 1 317.414 3.287 20 5 DGBDMO C[N@@H+](CCOc1ccc([N+](=O)[O-])cc1)Cc1ccc(F)c(F)c1 ZINC000065533083 401270523 /nfs/dbraw/zinc/27/05/23/401270523.db2.gz GOWVYXUBYAPHHT-UHFFFAOYSA-N 1 1 322.311 3.384 20 5 DGBDMO C[N@@H+](CCOc1ccc([N+](=O)[O-])cc1)Cc1ccccc1F ZINC000065208718 401261161 /nfs/dbraw/zinc/26/11/61/401261161.db2.gz RIGWBCDNSJLSFS-UHFFFAOYSA-N 1 1 304.321 3.245 20 5 DGBDMO CCC(=O)c1ccc(NCC[N@H+](C)[C@H](C)CC)c([N+](=O)[O-])c1 ZINC000359488992 286318984 /nfs/dbraw/zinc/31/89/84/286318984.db2.gz YJQXIGVCIOZXCT-GFCCVEGCSA-N 1 1 307.394 3.330 20 5 DGBDMO O=[N+]([O-])c1cc(Cl)ccc1C[NH2+][C@H](CO)c1ccc(F)cc1 ZINC000359630200 286350631 /nfs/dbraw/zinc/35/06/31/286350631.db2.gz XYZWWGFLLQELCF-CQSZACIVSA-N 1 1 324.739 3.211 20 5 DGBDMO Cc1c(C[N@H+]2CCC[C@H](c3cc[nH]n3)C2)cccc1[N+](=O)[O-] ZINC000193863805 165333556 /nfs/dbraw/zinc/33/35/56/165333556.db2.gz HKCAORCSBVTRFH-AWEZNQCLSA-N 1 1 300.362 3.006 20 5 DGBDMO O=[N+]([O-])c1cccc([C@H](O)C[N@@H+](Cc2ccccc2)C2CC2)c1 ZINC000136904280 432165685 /nfs/dbraw/zinc/16/56/85/432165685.db2.gz LPSFHHRLCVNEDZ-GOSISDBHSA-N 1 1 312.369 3.293 20 5 DGBDMO CC(C)CO[C@@H]1CC[N@H+](Cc2ccc([N+](=O)[O-])cc2Cl)C1 ZINC000182231860 432168352 /nfs/dbraw/zinc/16/83/52/432168352.db2.gz POHTXEPSVATNIN-CQSZACIVSA-N 1 1 312.797 3.495 20 5 DGBDMO CC(C)CO[C@@H]1CC[N@@H+](Cc2ccc([N+](=O)[O-])cc2Cl)C1 ZINC000182231860 432168356 /nfs/dbraw/zinc/16/83/56/432168356.db2.gz POHTXEPSVATNIN-CQSZACIVSA-N 1 1 312.797 3.495 20 5 DGBDMO C[C@@H]1C[C@@H]2CCCC[C@@H]2[N@H+]1C[C@@H](O)c1cccc([N+](=O)[O-])c1 ZINC000269626946 432189332 /nfs/dbraw/zinc/18/93/32/432189332.db2.gz DCMQSUGNNIYSBJ-OSRSDYAFSA-N 1 1 304.390 3.281 20 5 DGBDMO O=[N+]([O-])c1ccc(Cl)c(C[N@@H+]2CCC[C@H](c3cc[nH]n3)C2)c1 ZINC000172176188 432201108 /nfs/dbraw/zinc/20/11/08/432201108.db2.gz SVMPYDMIADLZSS-NSHDSACASA-N 1 1 320.780 3.351 20 5 DGBDMO O=[N+]([O-])c1ccc(Cl)c(C[N@H+]2CCC[C@H](c3cc[nH]n3)C2)c1 ZINC000172176188 432201111 /nfs/dbraw/zinc/20/11/11/432201111.db2.gz SVMPYDMIADLZSS-NSHDSACASA-N 1 1 320.780 3.351 20 5 DGBDMO CCC[N@H+]1CC[C@@H](CN[C@H](C)c2ccc(C)c([N+](=O)[O-])c2)C1 ZINC000247098159 432201745 /nfs/dbraw/zinc/20/17/45/432201745.db2.gz PXDBTDDYQQRRES-CABCVRRESA-N 1 1 305.422 3.286 20 5 DGBDMO C[C@H](O)C[N@@H+](C)Cc1ccc(-c2ccc([N+](=O)[O-])cc2Cl)o1 ZINC000130671635 196100612 /nfs/dbraw/zinc/10/06/12/196100612.db2.gz ITRMCCBDHMPFPH-JTQLQIEISA-N 1 1 324.764 3.321 20 5 DGBDMO C[C@@H]1CC[N@H+](Cc2c(F)cccc2[N+](=O)[O-])C[C@H]1n1ccnc1 ZINC000247365247 432226531 /nfs/dbraw/zinc/22/65/31/432226531.db2.gz HLYKFCPFXMETMU-MLGOLLRUSA-N 1 1 318.352 3.014 20 5 DGBDMO C[C@@H]1CC[N@@H+](Cc2c(F)cccc2[N+](=O)[O-])C[C@H]1n1ccnc1 ZINC000247365247 432226532 /nfs/dbraw/zinc/22/65/32/432226532.db2.gz HLYKFCPFXMETMU-MLGOLLRUSA-N 1 1 318.352 3.014 20 5 DGBDMO Cc1ccc(C[N@@H+]2CC3(CCC3)[C@@H]2[C@H]2CCCO2)cc1[N+](=O)[O-] ZINC000290993539 222057203 /nfs/dbraw/zinc/05/72/03/222057203.db2.gz VLJWCFGGCYAVCW-SJORKVTESA-N 1 1 316.401 3.437 20 5 DGBDMO Cc1ccc(C[N@H+]2CC3(CCC3)[C@@H]2[C@H]2CCCO2)cc1[N+](=O)[O-] ZINC000290993539 222057205 /nfs/dbraw/zinc/05/72/05/222057205.db2.gz VLJWCFGGCYAVCW-SJORKVTESA-N 1 1 316.401 3.437 20 5 DGBDMO Cc1cc(NC[C@H]2CCC[N@H+](C)C2)c2cccc([N+](=O)[O-])c2n1 ZINC000302004817 230029819 /nfs/dbraw/zinc/02/98/19/230029819.db2.gz KOGSRVADKBXHCA-CYBMUJFWSA-N 1 1 314.389 3.205 20 5 DGBDMO Cc1cccc(N2CC[NH+](Cc3cccs3)CC2)c1[N+](=O)[O-] ZINC000302520748 230281909 /nfs/dbraw/zinc/28/19/09/230281909.db2.gz XKMQUFORVHUPIC-UHFFFAOYSA-N 1 1 317.414 3.287 20 5 DGBDMO CSCC[C@@H](C)[N@@H+](C)CCCOc1ccc([N+](=O)[O-])cc1 ZINC000346526163 264046753 /nfs/dbraw/zinc/04/67/53/264046753.db2.gz XPDLSUKRWQSCRA-CYBMUJFWSA-N 1 1 312.435 3.437 20 5 DGBDMO CCCN(C/C=C/c1ccccc1[N+](=O)[O-])C1CC[NH2+]CC1 ZINC000347017064 264141428 /nfs/dbraw/zinc/14/14/28/264141428.db2.gz DGPKIYOTFJMDON-FNORWQNLSA-N 1 1 303.406 3.072 20 5 DGBDMO C[C@H](C(=O)Nc1cccc([N+](=O)[O-])c1)[N@H+]1CCCC2(CCC2)C1 ZINC000348181194 264358389 /nfs/dbraw/zinc/35/83/89/264358389.db2.gz NBXCNRXCKDIDIS-CYBMUJFWSA-N 1 1 317.389 3.188 20 5 DGBDMO C[N@@H+](Cc1ccc(-c2ccccc2[N+](=O)[O-])o1)[C@@H]1CCCOC1 ZINC000348719000 264442089 /nfs/dbraw/zinc/44/20/89/264442089.db2.gz ZHOKWLWIMMABCP-CYBMUJFWSA-N 1 1 316.357 3.466 20 5 DGBDMO CCC[C@]1(CO)CCC[N@@H+]1Cc1c(F)cc([N+](=O)[O-])cc1F ZINC000352400698 265033597 /nfs/dbraw/zinc/03/35/97/265033597.db2.gz FJAZPKPGXBYBAY-OAHLLOKOSA-N 1 1 314.332 3.000 20 5 DGBDMO CCC[C@]1(CO)CCC[N@H+]1Cc1c(F)cc([N+](=O)[O-])cc1F ZINC000352400698 265033599 /nfs/dbraw/zinc/03/35/99/265033599.db2.gz FJAZPKPGXBYBAY-OAHLLOKOSA-N 1 1 314.332 3.000 20 5 DGBDMO CC(C)c1ccc(CN2CC[C@@H]3CC[N@@H+](C)C[C@H]32)cc1[N+](=O)[O-] ZINC000353011377 265264138 /nfs/dbraw/zinc/26/41/38/265264138.db2.gz WSAYKPFNFGQBPS-MAUKXSAKSA-N 1 1 317.433 3.244 20 5 DGBDMO Cc1ccc(C(C)(C)[NH2+]Cc2ccc([N+](=O)[O-])cc2F)cn1 ZINC000353180804 265333732 /nfs/dbraw/zinc/33/37/32/265333732.db2.gz LRVUVQYEARBDGI-UHFFFAOYSA-N 1 1 303.337 3.462 20 5 DGBDMO CCc1ccc(C(=O)Nc2cc(C)c3[nH+]ccn3c2)cc1[N+](=O)[O-] ZINC000355487056 266090467 /nfs/dbraw/zinc/09/04/67/266090467.db2.gz RQBVEMJZEFYERT-UHFFFAOYSA-N 1 1 324.340 3.366 20 5 DGBDMO CC[C@@H](c1ccccc1)[N@H+](CC)Cc1c([N+](=O)[O-])ncn1C ZINC000355540654 266109271 /nfs/dbraw/zinc/10/92/71/266109271.db2.gz GXJXQKSDHCFNNY-AWEZNQCLSA-N 1 1 302.378 3.302 20 5 DGBDMO CC[C@@H](c1ccccc1)[N@@H+](CC)Cc1c([N+](=O)[O-])ncn1C ZINC000355540654 266109276 /nfs/dbraw/zinc/10/92/76/266109276.db2.gz GXJXQKSDHCFNNY-AWEZNQCLSA-N 1 1 302.378 3.302 20 5 DGBDMO CC[N@@H+](CCNC(=O)Nc1cc(C)c([N+](=O)[O-])cc1C)C(C)C ZINC000355596174 266126516 /nfs/dbraw/zinc/12/65/16/266126516.db2.gz ICLAFLFWUSUQSC-UHFFFAOYSA-N 1 1 322.409 3.063 20 5 DGBDMO COc1cc(C[N@@H+](CC2CC2)C2CCC2)c([N+](=O)[O-])cc1OC ZINC000355682729 266155815 /nfs/dbraw/zinc/15/58/15/266155815.db2.gz PRZFADORRXQYSC-UHFFFAOYSA-N 1 1 320.389 3.377 20 5 DGBDMO COc1ccc2c(c1)[C@@H]([NH2+]Cc1csc([N+](=O)[O-])c1)CCO2 ZINC000274291827 274133129 /nfs/dbraw/zinc/13/31/29/274133129.db2.gz ZBRRTPWTECQNPW-ZDUSSCGKSA-N 1 1 320.370 3.278 20 5 DGBDMO COc1ncccc1C[NH2+][C@H]1CCCc2ccc([N+](=O)[O-])cc21 ZINC000192651983 274170398 /nfs/dbraw/zinc/17/03/98/274170398.db2.gz PMISSDSXKUZMQQ-INIZCTEOSA-N 1 1 313.357 3.166 20 5 DGBDMO C[C@@H]([NH2+][C@@H]1CCCc2ccc([N+](=O)[O-])cc21)c1ccn(C)n1 ZINC000414192794 274257569 /nfs/dbraw/zinc/25/75/69/274257569.db2.gz SZMMNTWHEXXVQA-BDJLRTHQSA-N 1 1 300.362 3.057 20 5 DGBDMO C[C@@H](O)C[C@H]1CCCC[N@H+]1Cc1c(Cl)cccc1[N+](=O)[O-] ZINC000123718589 274274269 /nfs/dbraw/zinc/27/42/69/274274269.db2.gz IJEIRVFQMYWXKU-VXGBXAGGSA-N 1 1 312.797 3.374 20 5 DGBDMO C[C@@H]1CCCC[C@@H]1[N@@H+](C)CCC(=O)Nc1ccccc1[N+](=O)[O-] ZINC000336969559 274286836 /nfs/dbraw/zinc/28/68/36/274286836.db2.gz BOLCZFSGWVTTMD-HIFRSBDPSA-N 1 1 319.405 3.434 20 5 DGBDMO CC(C)n1cc(C[NH2+]C(C)(C)c2ccccc2[N+](=O)[O-])cn1 ZINC000291646585 275783511 /nfs/dbraw/zinc/78/35/11/275783511.db2.gz CCTYVOBFUDMUBI-UHFFFAOYSA-N 1 1 302.378 3.397 20 5 DGBDMO CC1(C)C[C@H](NC[C@]2(C)CCC[NH2+]C2)c2cc([N+](=O)[O-])ccc21 ZINC000423350993 275868603 /nfs/dbraw/zinc/86/86/03/275868603.db2.gz YIQYDOGPWVUVJF-FUHWJXTLSA-N 1 1 317.433 3.297 20 5 DGBDMO CCCC[N@H+]1CCCC[C@H]1CNc1ncc([N+](=O)[O-])cc1C ZINC000480513012 429721985 /nfs/dbraw/zinc/72/19/85/429721985.db2.gz CICUDANOOJKFCR-AWEZNQCLSA-N 1 1 306.410 3.365 20 5 DGBDMO CC[N@@H+](C)C[C@@H]1CCN([C@@H](C)c2cc([N+](=O)[O-])ccc2C)C1 ZINC000182827339 279037080 /nfs/dbraw/zinc/03/70/80/279037080.db2.gz KYSJMJIAVXXARN-GJZGRUSLSA-N 1 1 305.422 3.238 20 5 DGBDMO O=[N+]([O-])c1ccc(C[NH2+]Cc2ccc(Br)cn2)cc1 ZINC000070396368 431249591 /nfs/dbraw/zinc/24/95/91/431249591.db2.gz FDIGWRCCQFFERR-UHFFFAOYSA-N 1 1 322.162 3.042 20 5 DGBDMO C[C@@H](C(=O)Nc1ccccc1[N+](=O)[O-])[N@@H+]1CCCC(C)(C)C1 ZINC000112701988 431298901 /nfs/dbraw/zinc/29/89/01/431298901.db2.gz MPBFQUFJYLNHRO-LBPRGKRZSA-N 1 1 305.378 3.044 20 5 DGBDMO C[C@@H](C(=O)Nc1ccccc1[N+](=O)[O-])[N@H+]1CCCC(C)(C)C1 ZINC000112701988 431298904 /nfs/dbraw/zinc/29/89/04/431298904.db2.gz MPBFQUFJYLNHRO-LBPRGKRZSA-N 1 1 305.378 3.044 20 5 DGBDMO Cc1c(NC(=O)[C@@H](C)[N@@H+]2CCCC(C)(C)C2)cccc1[N+](=O)[O-] ZINC000112702192 431299429 /nfs/dbraw/zinc/29/94/29/431299429.db2.gz JPJMLCAIBCZCDI-CYBMUJFWSA-N 1 1 319.405 3.352 20 5 DGBDMO Cc1c(NC(=O)[C@@H](C)[N@H+]2CCCC(C)(C)C2)cccc1[N+](=O)[O-] ZINC000112702192 431299436 /nfs/dbraw/zinc/29/94/36/431299436.db2.gz JPJMLCAIBCZCDI-CYBMUJFWSA-N 1 1 319.405 3.352 20 5 DGBDMO CCOC[C@H]1CCC[N@H+](Cc2ccc(Cl)cc2[N+](=O)[O-])C1 ZINC000116281103 431499058 /nfs/dbraw/zinc/49/90/58/431499058.db2.gz NGZKIGCYHSQZIE-LBPRGKRZSA-N 1 1 312.797 3.497 20 5 DGBDMO CCOC[C@H]1CCC[N@@H+](Cc2ccc(Cl)cc2[N+](=O)[O-])C1 ZINC000116281103 431499064 /nfs/dbraw/zinc/49/90/64/431499064.db2.gz NGZKIGCYHSQZIE-LBPRGKRZSA-N 1 1 312.797 3.497 20 5 DGBDMO C[C@@H]1CC[N@@H+](Cc2nc(-c3cccc([N+](=O)[O-])c3)no2)[C@H](C)C1 ZINC000119159838 431652974 /nfs/dbraw/zinc/65/29/74/431652974.db2.gz NXHXKYWKKFTWOZ-VXGBXAGGSA-N 1 1 316.361 3.265 20 5 DGBDMO CC(C)[N@@H+](Cc1nc(-c2ccc([N+](=O)[O-])cc2)no1)C1CCC1 ZINC000119704153 431714020 /nfs/dbraw/zinc/71/40/20/431714020.db2.gz SGONDSWJHFUPSQ-UHFFFAOYSA-N 1 1 316.361 3.408 20 5 DGBDMO C[C@@H](c1ccccc1[N+](=O)[O-])N1CC[C@H](C[N@@H+](C)CC2CC2)C1 ZINC000081633189 431799474 /nfs/dbraw/zinc/79/94/74/431799474.db2.gz IUDIMXOFDISXRV-GOEBONIOSA-N 1 1 317.433 3.320 20 5 DGBDMO Cc1ccc([N+](=O)[O-])cc1NC(=O)C[N@@H+]1CC[C@@H](CC(C)C)C1 ZINC000080748725 431774566 /nfs/dbraw/zinc/77/45/66/431774566.db2.gz MKHNTJNYISLDKU-AWEZNQCLSA-N 1 1 319.405 3.210 20 5 DGBDMO Cc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@@H+]1CC[C@H](C)[C@H](C)C1 ZINC000123000741 431851601 /nfs/dbraw/zinc/85/16/01/431851601.db2.gz RYJMGQRRTGCIND-GXTWGEPZSA-N 1 1 319.405 3.210 20 5 DGBDMO CCOC(=O)CCCCC[N@H+]1CCc2ccc([N+](=O)[O-])cc2C1 ZINC000088606107 431859055 /nfs/dbraw/zinc/85/90/55/431859055.db2.gz HQBGKKBDPJZBHY-UHFFFAOYSA-N 1 1 320.389 3.076 20 5 DGBDMO C[C@H](O)C[C@@H]1CCCC[N@H+]1Cc1c(Cl)cccc1[N+](=O)[O-] ZINC000123717840 431872238 /nfs/dbraw/zinc/87/22/38/431872238.db2.gz IJEIRVFQMYWXKU-RYUDHWBXSA-N 1 1 312.797 3.374 20 5 DGBDMO CC(C)c1ccc(CN(C)C[C@@H]2CCC[N@@H+](C)C2)cc1[N+](=O)[O-] ZINC000092253672 431908726 /nfs/dbraw/zinc/90/87/26/431908726.db2.gz XFFXYEAGEPRDOQ-MRXNPFEDSA-N 1 1 319.449 3.492 20 5 DGBDMO C[C@@H](O)C[C@H]1CCCC[N@H+]1Cc1ccc(Cl)cc1[N+](=O)[O-] ZINC000123764270 431874148 /nfs/dbraw/zinc/87/41/48/431874148.db2.gz HQVSWFSBXUTKHH-BXUZGUMPSA-N 1 1 312.797 3.374 20 5 DGBDMO C[C@@H](C1CC1)[N@@H+](C)Cc1coc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000089883302 431884091 /nfs/dbraw/zinc/88/40/91/431884091.db2.gz QQDKNFSYZHGTQC-NSHDSACASA-N 1 1 301.346 3.480 20 5 DGBDMO CC(C)c1ccc(C[N@@H+](C)C[C@@H]2CCC[C@@H]2O)cc1[N+](=O)[O-] ZINC000091899423 431906726 /nfs/dbraw/zinc/90/67/26/431906726.db2.gz WSUWIYWDBGPOSP-YOEHRIQHSA-N 1 1 306.406 3.311 20 5 DGBDMO C[N@@H+](CCC1CCCCC1)Cc1ccc(C(N)=O)cc1[N+](=O)[O-] ZINC000101565849 431986694 /nfs/dbraw/zinc/98/66/94/431986694.db2.gz NYHMIECVBGXLMQ-UHFFFAOYSA-N 1 1 319.405 3.096 20 5 DGBDMO CC[C@H]1C[N@H+]2CCC[C@H]2CN1Cc1c(Cl)cccc1[N+](=O)[O-] ZINC000492002020 281199892 /nfs/dbraw/zinc/19/98/92/281199892.db2.gz RIFZHMALXOGCFC-STQMWFEESA-N 1 1 323.824 3.307 20 5 DGBDMO CC(C)C[N@@H+](CCC(=O)Nc1cc([N+](=O)[O-])ccc1F)C1CC1 ZINC000128270531 431991422 /nfs/dbraw/zinc/99/14/22/431991422.db2.gz YKJPJGRBYKQACP-UHFFFAOYSA-N 1 1 323.368 3.183 20 5 DGBDMO CCC[N@@H+](CC)[C@H](C)C(=O)Nc1ccc([N+](=O)[O-])cc1Cl ZINC000270674479 432274966 /nfs/dbraw/zinc/27/49/66/432274966.db2.gz BCQSBNRZBQPAPV-SNVBAGLBSA-N 1 1 313.785 3.307 20 5 DGBDMO O=[N+]([O-])c1cc(C[N@@H+]2CC[C@@H](Oc3cccc(F)c3)C2)cs1 ZINC000183380491 432288989 /nfs/dbraw/zinc/28/89/89/432288989.db2.gz RVULMVCESSYUAD-CQSZACIVSA-N 1 1 322.361 3.449 20 5 DGBDMO O=[N+]([O-])c1cc(C[N@H+]2CC[C@@H](Oc3cccc(F)c3)C2)cs1 ZINC000183380491 432288995 /nfs/dbraw/zinc/28/89/95/432288995.db2.gz RVULMVCESSYUAD-CQSZACIVSA-N 1 1 322.361 3.449 20 5 DGBDMO C[N@@H+](CCC(=O)Nc1cc([N+](=O)[O-])ccc1F)CC(C)(C)C ZINC000128464616 431995146 /nfs/dbraw/zinc/99/51/46/431995146.db2.gz AUMHBWQECVIZIK-UHFFFAOYSA-N 1 1 311.357 3.040 20 5 DGBDMO Cc1cc([N+](=O)[O-])ccc1NC(=O)C[N@@H+](C1CC1)C1CCCC1 ZINC000173197114 432263333 /nfs/dbraw/zinc/26/33/33/432263333.db2.gz KQSWOCOWYCXULP-UHFFFAOYSA-N 1 1 317.389 3.249 20 5 DGBDMO CO[C@H]1CC[N@@H+](Cc2ccc(-c3cccc([N+](=O)[O-])c3)o2)C1 ZINC000271206155 432353261 /nfs/dbraw/zinc/35/32/61/432353261.db2.gz WGUSLQOBCYCYLV-AWEZNQCLSA-N 1 1 302.330 3.076 20 5 DGBDMO C[C@@H]1C[C@@H](c2ccccc2F)[N@@H+](CCn2cc([N+](=O)[O-])cn2)C1 ZINC000174878256 432375934 /nfs/dbraw/zinc/37/59/34/432375934.db2.gz ATFGGHQBXOGDNK-WBMJQRKESA-N 1 1 318.352 3.014 20 5 DGBDMO CC[C@H](CSC)[N@@H+](C)Cc1cc(OC)c(F)cc1[N+](=O)[O-] ZINC000184297102 432376789 /nfs/dbraw/zinc/37/67/89/432376789.db2.gz QHFLZCSQSOQMMZ-LLVKDONJSA-N 1 1 316.398 3.316 20 5 DGBDMO CCn1nc(C)c([N+](=O)[O-])c1NCCCC[N@H+]1CCC[C@H](C)C1 ZINC000192500009 432381084 /nfs/dbraw/zinc/38/10/84/432381084.db2.gz VCNKKMFFLWZDKK-ZDUSSCGKSA-N 1 1 323.441 3.044 20 5 DGBDMO O=[N+]([O-])c1ccc(N[C@@H]2CC[N@H+]3CCCC[C@H]23)c2ncccc12 ZINC000271380388 432384409 /nfs/dbraw/zinc/38/44/09/432384409.db2.gz XFVMODYXIUHGAJ-CZUORRHYSA-N 1 1 312.373 3.182 20 5 DGBDMO CC(C)OC(=O)C[C@H]1CCC[N@@H+](Cc2cccc([N+](=O)[O-])c2)C1 ZINC000184474755 432397270 /nfs/dbraw/zinc/39/72/70/432397270.db2.gz PDCGBUFOGMMGGQ-OAHLLOKOSA-N 1 1 320.389 3.149 20 5 DGBDMO O=[N+]([O-])c1ccc2c(c1)[C@@H](NC[C@H]1CC[N@@H+](C3CC3)C1)CCC2 ZINC000192657975 432398889 /nfs/dbraw/zinc/39/88/89/432398889.db2.gz QWAJBGVOHCTSDF-ACJLOTCBSA-N 1 1 315.417 3.046 20 5 DGBDMO O=[N+]([O-])c1ccc2c(c1)[C@@H](NC[C@H]1CC[N@H+](C3CC3)C1)CCC2 ZINC000192657975 432398891 /nfs/dbraw/zinc/39/88/91/432398891.db2.gz QWAJBGVOHCTSDF-ACJLOTCBSA-N 1 1 315.417 3.046 20 5 DGBDMO O=[N+]([O-])c1ccc2c(c1)[C@@H]([NH2+]C[C@H]1CCN(C3CC3)C1)CCC2 ZINC000192657975 432398895 /nfs/dbraw/zinc/39/88/95/432398895.db2.gz QWAJBGVOHCTSDF-ACJLOTCBSA-N 1 1 315.417 3.046 20 5 DGBDMO CC[C@H]1C[N@@H+](Cc2ccc(-c3cccc([N+](=O)[O-])c3)o2)C[C@@H]1O ZINC000271273973 432366856 /nfs/dbraw/zinc/36/68/56/432366856.db2.gz KKJUYSNXVMQESF-LRDDRELGSA-N 1 1 316.357 3.058 20 5 DGBDMO C[C@@]1(C[NH3+])CCN(Cc2ccc(-c3cccc([N+](=O)[O-])c3)o2)C1 ZINC000261609926 432432250 /nfs/dbraw/zinc/43/22/50/432432250.db2.gz BUWNJOAISCJANF-KRWDZBQOSA-N 1 1 315.373 3.026 20 5 DGBDMO O=[N+]([O-])c1cccc([C@@H](O)C[N@H+]2CC[C@@H](c3ccccc3)C2)c1 ZINC000153819331 432446837 /nfs/dbraw/zinc/44/68/37/432446837.db2.gz WFRXJXUIGRLSET-AEFFLSMTSA-N 1 1 312.369 3.118 20 5 DGBDMO CCOc1ccc([C@@H](C)[NH2+]Cc2cc(C)no2)cc1[N+](=O)[O-] ZINC000153605630 432424557 /nfs/dbraw/zinc/42/45/57/432424557.db2.gz LLGBTHZNIQGSKD-LLVKDONJSA-N 1 1 305.334 3.141 20 5 DGBDMO Cc1n[nH]c(C)c1C[N@H+](Cc1ccc([N+](=O)[O-])cc1)C1CC1 ZINC000154273475 432487833 /nfs/dbraw/zinc/48/78/33/432487833.db2.gz GSKOAPFPEMVRNF-UHFFFAOYSA-N 1 1 300.362 3.099 20 5 DGBDMO Cc1n[nH]c(C)c1C[N@@H+](Cc1ccc([N+](=O)[O-])cc1)C1CC1 ZINC000154273475 432487838 /nfs/dbraw/zinc/48/78/38/432487838.db2.gz GSKOAPFPEMVRNF-UHFFFAOYSA-N 1 1 300.362 3.099 20 5 DGBDMO C[C@@H](c1cc2ccccc2o1)[N@@H+](C)CCn1ccc([N+](=O)[O-])n1 ZINC000176203367 432500315 /nfs/dbraw/zinc/50/03/15/432500315.db2.gz ZKJAYVGXVYOFSH-LBPRGKRZSA-N 1 1 314.345 3.231 20 5 DGBDMO O=[N+]([O-])c1ccn(CC[N@@H+](Cc2ccc(Cl)cc2)C2CC2)n1 ZINC000176211866 432500528 /nfs/dbraw/zinc/50/05/28/432500528.db2.gz WNAZCYSCKXYKOM-UHFFFAOYSA-N 1 1 320.780 3.109 20 5 DGBDMO O=[N+]([O-])c1ccn(CC[N@H+]2CCC[C@@H]2c2cccc(Cl)c2)n1 ZINC000176212062 432501631 /nfs/dbraw/zinc/50/16/31/432501631.db2.gz QMBOYPJNFDMOLH-CQSZACIVSA-N 1 1 320.780 3.282 20 5 DGBDMO CCc1ccc(C[N@@H+](CCn2ccc([N+](=O)[O-])n2)C2CC2)cc1 ZINC000176208433 432501662 /nfs/dbraw/zinc/50/16/62/432501662.db2.gz OYDCTSXXLGSWEF-UHFFFAOYSA-N 1 1 314.389 3.018 20 5 DGBDMO O=[N+]([O-])c1ccn(CC[N@H+](Cc2ccccc2)CC2CCC2)n1 ZINC000176217531 432501818 /nfs/dbraw/zinc/50/18/18/432501818.db2.gz UHEPIAZQLFFNRX-UHFFFAOYSA-N 1 1 314.389 3.094 20 5 DGBDMO CC(C)[N@@H+](CCn1ccc([N+](=O)[O-])n1)Cc1cccc(Cl)c1 ZINC000176210301 432501830 /nfs/dbraw/zinc/50/18/30/432501830.db2.gz ARMPGWHIXLXARH-UHFFFAOYSA-N 1 1 322.796 3.355 20 5 DGBDMO CC[C@H]1[C@@H](C)CC[N@H+]1Cc1nc(-c2ccc([N+](=O)[O-])cc2)no1 ZINC000185654950 432519854 /nfs/dbraw/zinc/51/98/54/432519854.db2.gz JPDYNKQDPHMWIL-FZMZJTMJSA-N 1 1 316.361 3.265 20 5 DGBDMO C[C@H]([NH2+]Cc1csc([N+](=O)[O-])c1)[C@H](c1ccccc1)N(C)C ZINC000185676197 432521640 /nfs/dbraw/zinc/52/16/40/432521640.db2.gz IWDNEHLHLCVRNJ-BLLLJJGKSA-N 1 1 319.430 3.437 20 5 DGBDMO CCC1(C[NH2+][C@@H](c2nccn2C)c2ccc([N+](=O)[O-])cc2)CC1 ZINC000272576279 432525850 /nfs/dbraw/zinc/52/58/50/432525850.db2.gz XAFJWWACWLHCBF-OAHLLOKOSA-N 1 1 314.389 3.198 20 5 DGBDMO Cn1ccnc1[C@H]([NH2+]CC(C)(C)C)c1ccc([N+](=O)[O-])cc1 ZINC000272576470 432525925 /nfs/dbraw/zinc/52/59/25/432525925.db2.gz XGWSUKXBHIPQRR-CQSZACIVSA-N 1 1 302.378 3.053 20 5 DGBDMO Cc1ccc([C@@H](C)[NH2+][C@H](CCO)c2ccco2)cc1[N+](=O)[O-] ZINC000186531100 432605642 /nfs/dbraw/zinc/60/56/42/432605642.db2.gz KMWFWSZHMSOLJY-TZMCWYRMSA-N 1 1 304.346 3.271 20 5 DGBDMO C[N@@H+](Cc1nc(-c2ccc([N+](=O)[O-])cc2)no1)CC(C)(C)C ZINC000263760038 432574821 /nfs/dbraw/zinc/57/48/21/432574821.db2.gz IBWCXPSGJYQHJU-UHFFFAOYSA-N 1 1 304.350 3.123 20 5 DGBDMO Cc1c(NC(=O)CC[N@H+](C)CC(C)(C)C)cccc1[N+](=O)[O-] ZINC000263775087 432576512 /nfs/dbraw/zinc/57/65/12/432576512.db2.gz KRXUWQSUDXXLTL-UHFFFAOYSA-N 1 1 307.394 3.210 20 5 DGBDMO Cc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@H+](C)[C@H](C)C(C)C ZINC000263962801 432598707 /nfs/dbraw/zinc/59/87/07/432598707.db2.gz PQRANBKBDHCOMO-CYBMUJFWSA-N 1 1 307.394 3.208 20 5 DGBDMO CC[C@@H]([NH2+][C@H](CCO)c1ccco1)c1cccc([N+](=O)[O-])c1 ZINC000186520393 432603858 /nfs/dbraw/zinc/60/38/58/432603858.db2.gz UYNQHCFAMCKSLX-HUUCEWRRSA-N 1 1 304.346 3.352 20 5 DGBDMO CC(C)(C)[C@@H]1CCC[N@H+]1Cc1cc([N+](=O)[O-])cc2c1OCOC2 ZINC000264199931 432626143 /nfs/dbraw/zinc/62/61/43/432626143.db2.gz PGLLUFKJZWQKMV-HNNXBMFYSA-N 1 1 320.389 3.472 20 5 DGBDMO Cc1c([C@H](C)[NH2+]Cc2cn3ccccc3n2)cccc1[N+](=O)[O-] ZINC000159421554 432683998 /nfs/dbraw/zinc/68/39/98/432683998.db2.gz VUVWPPWFNGBJAZ-ZDUSSCGKSA-N 1 1 310.357 3.402 20 5 DGBDMO Cc1cnn([C@H]2CCC[N@H+]([C@H](C)c3ccccc3[N+](=O)[O-])C2)c1 ZINC000266531617 432761924 /nfs/dbraw/zinc/76/19/24/432761924.db2.gz MICGGSVSNDVOKT-CABCVRRESA-N 1 1 314.389 3.498 20 5 DGBDMO CCC(C)(C)[N@@H+](C)Cc1nnc(-c2ccc([N+](=O)[O-])cc2)o1 ZINC000266641151 432774008 /nfs/dbraw/zinc/77/40/08/432774008.db2.gz AOHVXTWDEYSUBD-UHFFFAOYSA-N 1 1 304.350 3.265 20 5 DGBDMO CCCN1CCC([NH2+][C@H](C)c2cc([N+](=O)[O-])ccc2C)CC1 ZINC000161619150 432789039 /nfs/dbraw/zinc/78/90/39/432789039.db2.gz NWGCBKZEUQGQCU-CQSZACIVSA-N 1 1 305.422 3.428 20 5 DGBDMO C[C@H]1C[N@@H+](Cc2nc(-c3cccc([N+](=O)[O-])c3)no2)C(C)(C)C1 ZINC000266941559 432800503 /nfs/dbraw/zinc/80/05/03/432800503.db2.gz QBERQMSVMOSEGA-LLVKDONJSA-N 1 1 316.361 3.265 20 5 DGBDMO Cc1cc([N+](=O)[O-])ccc1N1CC[C@H]2[C@H](CCC[N@H+]2C2CC2)C1 ZINC000161884618 432803285 /nfs/dbraw/zinc/80/32/85/432803285.db2.gz GYFQDACCVJCBLP-KDOFPFPSSA-N 1 1 315.417 3.356 20 5 DGBDMO Cn1cccc1[C@@H]1CCC[N@@H+]1Cc1ccc([N+](=O)[O-])cc1F ZINC000267007555 432805918 /nfs/dbraw/zinc/80/59/18/432805918.db2.gz KQHOGJMPTYZFSQ-INIZCTEOSA-N 1 1 303.337 3.410 20 5 DGBDMO Cn1cccc1[C@@H]1CCC[N@H+]1Cc1ccc([N+](=O)[O-])cc1F ZINC000267007555 432805919 /nfs/dbraw/zinc/80/59/19/432805919.db2.gz KQHOGJMPTYZFSQ-INIZCTEOSA-N 1 1 303.337 3.410 20 5 DGBDMO C[N@H+](Cc1ccc([N+](=O)[O-])cc1F)[C@@H](CCO)c1ccccc1 ZINC000267031024 432808803 /nfs/dbraw/zinc/80/88/03/432808803.db2.gz MMQNXONLCOLKJV-KRWDZBQOSA-N 1 1 318.348 3.289 20 5 DGBDMO C[N@@H+](Cc1ccc([N+](=O)[O-])cc1F)[C@@H](CCO)c1ccccc1 ZINC000267031024 432808805 /nfs/dbraw/zinc/80/88/05/432808805.db2.gz MMQNXONLCOLKJV-KRWDZBQOSA-N 1 1 318.348 3.289 20 5 DGBDMO O=[N+]([O-])c1cccc(C[N@@H+](C[C@H]2CCCO2)[C@H]2CCSC2)c1 ZINC000245875568 432867438 /nfs/dbraw/zinc/86/74/38/432867438.db2.gz MOTZZISHXXDHPU-JKSUJKDBSA-N 1 1 322.430 3.081 20 5 DGBDMO Cc1c(NC(=O)[C@H](C)[N@H+]2CC[C@@H](C)[C@H](C)C2)cccc1[N+](=O)[O-] ZINC000245951124 432872490 /nfs/dbraw/zinc/87/24/90/432872490.db2.gz SNVWNOXXMLRSQW-BZPMIXESSA-N 1 1 319.405 3.208 20 5 DGBDMO C[C@H]1CC[N@@H+](Cc2coc(-c3ccc([N+](=O)[O-])cc3)n2)[C@H]1C ZINC000246001739 432873763 /nfs/dbraw/zinc/87/37/63/432873763.db2.gz YHSDTKYOJNHRLS-RYUDHWBXSA-N 1 1 301.346 3.480 20 5 DGBDMO O=[N+]([O-])c1cccc(Cl)c1C[N@H+](C[C@H]1CCOC1)C1CC1 ZINC000163313041 432849724 /nfs/dbraw/zinc/84/97/24/432849724.db2.gz MWLNLXDGBWGWBG-LLVKDONJSA-N 1 1 310.781 3.249 20 5 DGBDMO O=[N+]([O-])c1cccc(Cl)c1C[N@@H+](C[C@H]1CCOC1)C1CC1 ZINC000163313041 432849725 /nfs/dbraw/zinc/84/97/25/432849725.db2.gz MWLNLXDGBWGWBG-LLVKDONJSA-N 1 1 310.781 3.249 20 5 DGBDMO C[C@H](C(=O)Nc1ccccc1[N+](=O)[O-])[NH+]1CCC(C)(C)CC1 ZINC000330461301 432911588 /nfs/dbraw/zinc/91/15/88/432911588.db2.gz RYHPBFYSNGSGKB-GFCCVEGCSA-N 1 1 305.378 3.044 20 5 DGBDMO CN(C(=O)C[N@H+]1CCC[C@@H]1C(C)(C)C)c1ccc([N+](=O)[O-])cc1 ZINC000330622646 432920663 /nfs/dbraw/zinc/92/06/63/432920663.db2.gz OBMFWZJHAVFVLZ-OAHLLOKOSA-N 1 1 319.405 3.068 20 5 DGBDMO Cc1cnn([C@@H]2CC[N@H+](Cc3ccc(Cl)c([N+](=O)[O-])c3)C2)c1 ZINC000289874625 432978743 /nfs/dbraw/zinc/97/87/43/432978743.db2.gz LZDVEERNUHOIQG-CYBMUJFWSA-N 1 1 320.780 3.200 20 5 DGBDMO Cc1cnn([C@@H]2CC[N@@H+](Cc3ccc(Cl)c([N+](=O)[O-])c3)C2)c1 ZINC000289874625 432978746 /nfs/dbraw/zinc/97/87/46/432978746.db2.gz LZDVEERNUHOIQG-CYBMUJFWSA-N 1 1 320.780 3.200 20 5 DGBDMO C[N@H+](Cc1cc(Cl)cc(Cl)c1[N+](=O)[O-])[C@H]1CCOC1 ZINC000290020247 432982328 /nfs/dbraw/zinc/98/23/28/432982328.db2.gz PHTNOGJFTFUESZ-JTQLQIEISA-N 1 1 305.161 3.122 20 5 DGBDMO C[N@@H+](Cc1cc(Cl)cc(Cl)c1[N+](=O)[O-])[C@H]1CCOC1 ZINC000290020247 432982332 /nfs/dbraw/zinc/98/23/32/432982332.db2.gz PHTNOGJFTFUESZ-JTQLQIEISA-N 1 1 305.161 3.122 20 5 DGBDMO C[N@@H+](CCCCCO)Cc1cc(Cl)cc(Cl)c1[N+](=O)[O-] ZINC000289456259 432962955 /nfs/dbraw/zinc/96/29/55/432962955.db2.gz VIONERMGGOSFJU-UHFFFAOYSA-N 1 1 321.204 3.496 20 5 DGBDMO CCOC(=O)CC(C)(C)[N@@H+](C)Cc1ccc([N+](=O)[O-])cc1C ZINC000349969250 433042061 /nfs/dbraw/zinc/04/20/61/433042061.db2.gz PRNCYOVGZOKJMS-UHFFFAOYSA-N 1 1 308.378 3.067 20 5 DGBDMO C[C@H]([NH2+]Cc1nc2cccnc2s1)c1cccc([N+](=O)[O-])c1 ZINC000341568938 433137589 /nfs/dbraw/zinc/13/75/89/433137589.db2.gz BOSRZIGURCTJGR-JTQLQIEISA-N 1 1 314.370 3.450 20 5 DGBDMO C[C@@H](CCc1ccccc1[N+](=O)[O-])[N@H+]1CCC[C@@]2(CCOC2)C1 ZINC000453381868 433139328 /nfs/dbraw/zinc/13/93/28/433139328.db2.gz RKPXZTLEBBCGBK-MAUKXSAKSA-N 1 1 318.417 3.418 20 5 DGBDMO CCOC1(C)CC[NH+](Cc2nc3cc([N+](=O)[O-])ccc3o2)CC1 ZINC000298447264 433140993 /nfs/dbraw/zinc/14/09/93/433140993.db2.gz ZLYBZJUPXNENHH-UHFFFAOYSA-N 1 1 319.361 3.127 20 5 DGBDMO O=[N+]([O-])c1cc(Cl)ccc1CN1CCC[C@@H]([C@H]2CC[NH2+]C2)C1 ZINC000420322431 433165952 /nfs/dbraw/zinc/16/59/52/433165952.db2.gz FCYVHTWCIBPEDQ-QWHCGFSZSA-N 1 1 323.824 3.070 20 5 DGBDMO CCC[C@]1(COC)CCC[N@H+]1Cc1cc([N+](=O)[O-])ccc1OC ZINC000447390327 433194400 /nfs/dbraw/zinc/19/44/00/433194400.db2.gz GCEQYONLDJXWPO-QGZVFWFLSA-N 1 1 322.405 3.385 20 5 DGBDMO CC[N@H+](Cc1nnc(-c2ccc([N+](=O)[O-])cc2)o1)CC1CCC1 ZINC000361487390 433202509 /nfs/dbraw/zinc/20/25/09/433202509.db2.gz VLBNUUJMRIUJHX-UHFFFAOYSA-N 1 1 316.361 3.267 20 5 DGBDMO CC(C)[N@@H+](C)CCCN[C@H]1CCCc2ccc([N+](=O)[O-])cc21 ZINC000447536912 433216451 /nfs/dbraw/zinc/21/64/51/433216451.db2.gz RDOBNCHAJDAKTR-KRWDZBQOSA-N 1 1 305.422 3.292 20 5 DGBDMO C[N@@H+](CCn1cc([N+](=O)[O-])cn1)C1CCC(C(C)(C)C)CC1 ZINC000350671916 433252277 /nfs/dbraw/zinc/25/22/77/433252277.db2.gz ZOQZCBJGIJXTFI-UHFFFAOYSA-N 1 1 308.426 3.328 20 5 DGBDMO CC[N@@H+](CCn1cc([N+](=O)[O-])cn1)[C@@H](C)c1ccc(F)cc1 ZINC000350725479 433263239 /nfs/dbraw/zinc/26/32/39/433263239.db2.gz XQUZWYZUPFZAPA-LBPRGKRZSA-N 1 1 306.341 3.014 20 5 DGBDMO Cn1nccc1[C@@H]1CCCC[N@@H+]1Cc1ccc([N+](=O)[O-])cc1 ZINC000281237428 433276202 /nfs/dbraw/zinc/27/62/02/433276202.db2.gz LNLMSSCFDKSSAJ-INIZCTEOSA-N 1 1 300.362 3.056 20 5 DGBDMO Cn1nccc1[C@@H]1CCCC[N@H+]1Cc1ccc([N+](=O)[O-])cc1 ZINC000281237428 433276212 /nfs/dbraw/zinc/27/62/12/433276212.db2.gz LNLMSSCFDKSSAJ-INIZCTEOSA-N 1 1 300.362 3.056 20 5 DGBDMO Cc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@H+](C)[C@H](C)C(C)C ZINC000341811691 433292405 /nfs/dbraw/zinc/29/24/05/433292405.db2.gz VLKFPUQABUUWPH-CYBMUJFWSA-N 1 1 307.394 3.208 20 5 DGBDMO COCC[N@@H+](Cc1ccc(OC)c([N+](=O)[O-])c1)[C@H]1CC[C@@H](C)C1 ZINC000361645399 433310091 /nfs/dbraw/zinc/31/00/91/433310091.db2.gz RRCSASNDEMGDIR-HIFRSBDPSA-N 1 1 322.405 3.240 20 5 DGBDMO COCC[N@@H+](Cc1ccc([N+](=O)[O-])cc1F)[C@H]1CC[C@@H](C)C1 ZINC000361642196 433310272 /nfs/dbraw/zinc/31/02/72/433310272.db2.gz IBJINMYBMBSUSJ-OCCSQVGLSA-N 1 1 310.369 3.371 20 5 DGBDMO CCCC[N@@H+](CCO)Cc1cc([N+](=O)[O-])ccc1C(F)(F)F ZINC000338960226 433327011 /nfs/dbraw/zinc/32/70/11/433327011.db2.gz KPCQZRNTWQISST-UHFFFAOYSA-N 1 1 320.311 3.208 20 5 DGBDMO COCC[N@H+](Cc1csc([N+](=O)[O-])c1)C[C@@H]1CC=CCC1 ZINC000361679798 433336976 /nfs/dbraw/zinc/33/69/76/433336976.db2.gz YTYVIADXGOAXEO-CYBMUJFWSA-N 1 1 310.419 3.461 20 5 DGBDMO CC[N@@H+](CCNc1ccc([N+](=O)[O-])c2cnccc12)C(C)C ZINC000301188708 433448363 /nfs/dbraw/zinc/44/83/63/433448363.db2.gz QQGAWVSLFPOBTK-UHFFFAOYSA-N 1 1 302.378 3.285 20 5 DGBDMO COc1cc(NCCC[N@H+]2CCCC[C@@H]2C)ccc1[N+](=O)[O-] ZINC000301214489 433454493 /nfs/dbraw/zinc/45/44/93/433454493.db2.gz ZCHCHBQBARBIAJ-ZDUSSCGKSA-N 1 1 307.394 3.280 20 5 DGBDMO C[C@H]([NH2+][C@H]1CCCc2ccc([N+](=O)[O-])cc21)c1ccn(C)n1 ZINC000414192802 433455576 /nfs/dbraw/zinc/45/55/76/433455576.db2.gz SZMMNTWHEXXVQA-ZBEGNZNMSA-N 1 1 300.362 3.057 20 5 DGBDMO C[C@@H]1[C@@H](C)CC[N@H+]1Cc1cc([N+](=O)[O-])ccc1OC(F)F ZINC000355106412 433464117 /nfs/dbraw/zinc/46/41/17/433464117.db2.gz MZYTXFBQBBZEEP-VHSXEESVSA-N 1 1 300.305 3.427 20 5 DGBDMO C[C@@H](NC(=O)CC[N@H+]1CCCC[C@@H]1C)c1cccc([N+](=O)[O-])c1 ZINC000339264066 433477403 /nfs/dbraw/zinc/47/74/03/433477403.db2.gz JSYUMKPOGLLVGZ-UONOGXRCSA-N 1 1 319.405 3.037 20 5 DGBDMO CCO[C@H]1C[C@@H]([N@@H+](C)Cc2ccc([N+](=O)[O-])cc2)C12CCC2 ZINC000355191253 433523351 /nfs/dbraw/zinc/52/33/51/433523351.db2.gz ZJYKSASICIYHBI-CVEARBPZSA-N 1 1 304.390 3.374 20 5 DGBDMO COc1cc(N[C@@H]2CC[N@@H+](CC3CCCC3)C2)ccc1[N+](=O)[O-] ZINC000301416304 433541495 /nfs/dbraw/zinc/54/14/95/433541495.db2.gz AXTMDIPHWJFRRO-OAHLLOKOSA-N 1 1 319.405 3.280 20 5 DGBDMO C[C@@H]1C[N@H+](C/C=C\c2ccccc2[N+](=O)[O-])C[C@@H](C2CC2)O1 ZINC000355203391 433532068 /nfs/dbraw/zinc/53/20/68/433532068.db2.gz PSNRKRIKTONBIO-HUIAQSGMSA-N 1 1 302.374 3.107 20 5 DGBDMO C[C@@H]1C[N@@H+](C/C=C\c2ccccc2[N+](=O)[O-])C[C@@H](C2CC2)O1 ZINC000355203391 433532077 /nfs/dbraw/zinc/53/20/77/433532077.db2.gz PSNRKRIKTONBIO-HUIAQSGMSA-N 1 1 302.374 3.107 20 5 DGBDMO CC[C@@H]1CCCC[N@H+]1CCNc1ncc([N+](=O)[O-])cc1Cl ZINC000301281417 433486896 /nfs/dbraw/zinc/48/68/96/433486896.db2.gz OLVGPPTUOROFAN-LLVKDONJSA-N 1 1 312.801 3.320 20 5 DGBDMO CC[C@@H]1CCCC[N@H+]1CCNc1ccc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000301303222 433498082 /nfs/dbraw/zinc/49/80/82/433498082.db2.gz YPUVNMCNTNTYML-GFCCVEGCSA-N 1 1 322.365 3.179 20 5 DGBDMO Cc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@H+]1CC[C@@H]2CCC[C@@H]21 ZINC000426456223 433501108 /nfs/dbraw/zinc/50/11/08/433501108.db2.gz DBLNPKJHOYLXJO-BBRMVZONSA-N 1 1 317.389 3.106 20 5 DGBDMO C[N@H+]1CCC[C@]2(CCN(Cc3c(Cl)cccc3[N+](=O)[O-])C2)C1 ZINC000339428691 433574984 /nfs/dbraw/zinc/57/49/84/433574984.db2.gz UJLFNFWXRVNHIH-INIZCTEOSA-N 1 1 323.824 3.166 20 5 DGBDMO C[N@@H+](CCc1cccc([N+](=O)[O-])c1)Cc1ccccc1[N+](=O)[O-] ZINC000282359203 433580952 /nfs/dbraw/zinc/58/09/52/433580952.db2.gz DEKKWKQJSYANMT-UHFFFAOYSA-N 1 1 315.329 3.178 20 5 DGBDMO CCOc1cc(N[C@H]2CC[N@H+](C3CCCC3)C2)ccc1[N+](=O)[O-] ZINC000301508331 433588521 /nfs/dbraw/zinc/58/85/21/433588521.db2.gz HQRBZMVPTUVNGV-AWEZNQCLSA-N 1 1 319.405 3.422 20 5 DGBDMO C[N@@H+](CCC(=O)Nc1ccccc1[N+](=O)[O-])C(C1CC1)C1CC1 ZINC000282846946 433636644 /nfs/dbraw/zinc/63/66/44/433636644.db2.gz BAXMXXFJTREEIE-UHFFFAOYSA-N 1 1 317.389 3.044 20 5 DGBDMO COc1ccc(OCC[N@@H+]2C[C@@H]3CCCC[C@@H]3C2)c([N+](=O)[O-])c1 ZINC000426794440 433601230 /nfs/dbraw/zinc/60/12/30/433601230.db2.gz RLSTWEYPFUGGPY-OKILXGFUSA-N 1 1 320.389 3.104 20 5 DGBDMO O=[N+]([O-])c1ccc(OC(F)F)c(C[NH2+][C@@H]2CCC[C@@H]2F)c1 ZINC000339589211 433670211 /nfs/dbraw/zinc/67/02/11/433670211.db2.gz FQXYZNKSEWJKEA-WDEREUQCSA-N 1 1 304.268 3.176 20 5 DGBDMO O=[N+]([O-])c1ccc(OC(F)F)c(C[NH2+][C@@H]2CCC[C@H]2F)c1 ZINC000339589208 433671033 /nfs/dbraw/zinc/67/10/33/433671033.db2.gz FQXYZNKSEWJKEA-GHMZBOCLSA-N 1 1 304.268 3.176 20 5 DGBDMO CC(C)[C@H]1[N@@H+](Cc2ccccc2[N+](=O)[O-])CC12CCOCC2 ZINC000414523382 433688258 /nfs/dbraw/zinc/68/82/58/433688258.db2.gz GODRGBIPUYUBCJ-MRXNPFEDSA-N 1 1 304.390 3.232 20 5 DGBDMO C[C@@H]1[C@@H](C)CCC[N@H+]1CCC(=O)Nc1ccccc1[N+](=O)[O-] ZINC000283248464 433696848 /nfs/dbraw/zinc/69/68/48/433696848.db2.gz JRWMPNLJHRAKTM-QWHCGFSZSA-N 1 1 305.378 3.044 20 5 DGBDMO CCOc1cc(N(C)[C@@H]2CC[N@@H+](CC)[C@@H](C)C2)ccc1[N+](=O)[O-] ZINC000356780291 433693325 /nfs/dbraw/zinc/69/33/25/433693325.db2.gz ALVRDGYOPOWAIN-DZGCQCFKSA-N 1 1 321.421 3.303 20 5 DGBDMO Cn1cccc1[C@H]1CCC[N@@H+]1Cc1ccc([N+](=O)[O-])c(F)c1 ZINC000283266490 433700424 /nfs/dbraw/zinc/70/04/24/433700424.db2.gz WKWUVKPNHNUOIV-MRXNPFEDSA-N 1 1 303.337 3.410 20 5 DGBDMO Cn1cccc1[C@H]1CCC[N@H+]1Cc1ccc([N+](=O)[O-])c(F)c1 ZINC000283266490 433700429 /nfs/dbraw/zinc/70/04/29/433700429.db2.gz WKWUVKPNHNUOIV-MRXNPFEDSA-N 1 1 303.337 3.410 20 5 DGBDMO CCCO[C@@H]1CCC[N@@H+](Cc2ccc([N+](=O)[O-])cc2OC)CC1 ZINC000373783271 293316024 /nfs/dbraw/zinc/31/60/24/293316024.db2.gz PWRWXYHOWAWWOP-MRXNPFEDSA-N 1 1 322.405 3.385 20 5 DGBDMO O=C(CC[N@H+]1CCC[C@@H]1C1CCC1)Nc1ccccc1[N+](=O)[O-] ZINC000374292622 293378726 /nfs/dbraw/zinc/37/87/26/293378726.db2.gz NSTICSWJQFVUNR-OAHLLOKOSA-N 1 1 317.389 3.188 20 5 DGBDMO C[N@@H+](Cc1ccccc1)CC(C)(C)Nc1ccc([N+](=O)[O-])cn1 ZINC000301815605 433735272 /nfs/dbraw/zinc/73/52/72/433735272.db2.gz IWNOJUZLWKYCEO-UHFFFAOYSA-N 1 1 314.389 3.312 20 5 DGBDMO CCSCC[C@@H](C)[N@@H+](C)CCOc1ccccc1[N+](=O)[O-] ZINC000362449681 433722374 /nfs/dbraw/zinc/72/23/74/433722374.db2.gz IBRDGHVQAMQEJP-CYBMUJFWSA-N 1 1 312.435 3.437 20 5 DGBDMO CC(C)(CN1CCCC1)[NH2+]C/C=C\c1ccccc1[N+](=O)[O-] ZINC000449779076 433791829 /nfs/dbraw/zinc/79/18/29/433791829.db2.gz XGDPYRKDYCYISX-CLFYSBASSA-N 1 1 303.406 3.072 20 5 DGBDMO CC(C)[N@H+]1CC[C@@H](N(C)C/C=C\c2ccccc2[N+](=O)[O-])C1 ZINC000449784967 433795397 /nfs/dbraw/zinc/79/53/97/433795397.db2.gz DCGQVBDZBGSCII-QKIRZYONSA-N 1 1 303.406 3.023 20 5 DGBDMO CC(C)[N@H+]1CC[C@H](N(C)C/C=C/c2ccccc2[N+](=O)[O-])C1 ZINC000449784964 433799594 /nfs/dbraw/zinc/79/95/94/433799594.db2.gz DCGQVBDZBGSCII-BVBGJJFLSA-N 1 1 303.406 3.023 20 5 DGBDMO CC(C)c1ccc(C[N@H+]2CC[C@@H](CCCO)C2)cc1[N+](=O)[O-] ZINC000449790588 433803150 /nfs/dbraw/zinc/80/31/50/433803150.db2.gz LMWQDLPIYCMKSL-CQSZACIVSA-N 1 1 306.406 3.313 20 5 DGBDMO C[C@H]1[C@H](Nc2ccc([N+](=O)[O-])c3cnccc23)CCC[N@H+]1C ZINC000343480383 433810347 /nfs/dbraw/zinc/81/03/47/433810347.db2.gz QWHQUWVJKMKFSG-SMDDNHRTSA-N 1 1 300.362 3.038 20 5 DGBDMO CSC[C@H]1CCC[N@@H+]1Cc1c(F)cc([N+](=O)[O-])cc1F ZINC000283988524 433810522 /nfs/dbraw/zinc/81/05/22/433810522.db2.gz JLPWRMPTWSJISH-SECBINFHSA-N 1 1 302.346 3.200 20 5 DGBDMO CSC[C@H]1CCC[N@H+]1Cc1c(F)cc([N+](=O)[O-])cc1F ZINC000283988524 433810526 /nfs/dbraw/zinc/81/05/26/433810526.db2.gz JLPWRMPTWSJISH-SECBINFHSA-N 1 1 302.346 3.200 20 5 DGBDMO COC[C@H]1CCCC[N@H+](Cc2c(F)cc([N+](=O)[O-])cc2F)C1 ZINC000351985810 433837706 /nfs/dbraw/zinc/83/77/06/433837706.db2.gz BKZMVUXPWUIRBR-NSHDSACASA-N 1 1 314.332 3.122 20 5 DGBDMO COC[C@H]1CCCC[N@@H+](Cc2c(F)cc([N+](=O)[O-])cc2F)C1 ZINC000351985810 433837711 /nfs/dbraw/zinc/83/77/11/433837711.db2.gz BKZMVUXPWUIRBR-NSHDSACASA-N 1 1 314.332 3.122 20 5 DGBDMO C[C@H]1CCCC[N@H+]1C[C@H]1CCCN(c2ccc([N+](=O)[O-])nc2)C1 ZINC000344416328 433865655 /nfs/dbraw/zinc/86/56/55/433865655.db2.gz IMWUIBGAIJTNRH-LSDHHAIUSA-N 1 1 318.421 3.081 20 5 DGBDMO CC(C)n1ccc(C[N@H+](C)CCc2ccccc2[N+](=O)[O-])n1 ZINC000285448071 433951073 /nfs/dbraw/zinc/95/10/73/433951073.db2.gz YGFURXDSKNCCAX-UHFFFAOYSA-N 1 1 302.378 3.047 20 5 DGBDMO CC(C)n1ccc(C[N@@H+](C)CCc2ccccc2[N+](=O)[O-])n1 ZINC000285448071 433951083 /nfs/dbraw/zinc/95/10/83/433951083.db2.gz YGFURXDSKNCCAX-UHFFFAOYSA-N 1 1 302.378 3.047 20 5 DGBDMO C[C@H](O)C[C@H]1CCCCC[N@H+]1Cc1ccc([N+](=O)[O-])c(F)c1 ZINC000285942765 434116227 /nfs/dbraw/zinc/11/62/27/434116227.db2.gz MFWWCMHKQFTXSB-GXTWGEPZSA-N 1 1 310.369 3.249 20 5 DGBDMO CC(C)CC[NH2+][C@@H](c1nccn1C)c1cccc([N+](=O)[O-])c1 ZINC000353432187 434126345 /nfs/dbraw/zinc/12/63/45/434126345.db2.gz BGTURTFGVDALFC-OAHLLOKOSA-N 1 1 302.378 3.053 20 5 DGBDMO C[NH+](C)[C@H](c1nc(-c2ccc([N+](=O)[O-])cc2)no1)c1ccccc1 ZINC000504222520 294211417 /nfs/dbraw/zinc/21/14/17/294211417.db2.gz FRKMDONLJJXWEV-HNNXBMFYSA-N 1 1 324.340 3.296 20 5 DGBDMO Cc1cnc(C[N@@H+](Cc2ccc([N+](=O)[O-])cc2)C(C)C)cn1 ZINC000505783911 294253729 /nfs/dbraw/zinc/25/37/29/294253729.db2.gz OEWNRBRMKUNLRA-UHFFFAOYSA-N 1 1 300.362 3.104 20 5 DGBDMO Cc1cnc(C[N@H+](Cc2ccc([N+](=O)[O-])cc2)C(C)C)cn1 ZINC000505783911 294253732 /nfs/dbraw/zinc/25/37/32/294253732.db2.gz OEWNRBRMKUNLRA-UHFFFAOYSA-N 1 1 300.362 3.104 20 5 DGBDMO COCC[N@@H+](Cc1ccc(-c2cccc([N+](=O)[O-])c2)o1)C1CC1 ZINC000507156096 294285597 /nfs/dbraw/zinc/28/55/97/294285597.db2.gz RABHTHNOXZFOCJ-UHFFFAOYSA-N 1 1 316.357 3.466 20 5 DGBDMO C[C@@H]1C[C@H](Nc2nccc3c2cccc3[N+](=O)[O-])C[N@H+]1C1CC1 ZINC000450377147 434140876 /nfs/dbraw/zinc/14/08/76/434140876.db2.gz KOCNMBPNOVBGHJ-NEPJUHHUSA-N 1 1 312.373 3.180 20 5 DGBDMO CCOc1cc(C[N@H+](C)Cc2ccccn2)ccc1[N+](=O)[O-] ZINC000295052924 434168862 /nfs/dbraw/zinc/16/88/62/434168862.db2.gz BGALYWVKZQWDDA-UHFFFAOYSA-N 1 1 301.346 3.021 20 5 DGBDMO CCOc1cc(C[N@@H+](C)Cc2ccccn2)ccc1[N+](=O)[O-] ZINC000295052924 434168873 /nfs/dbraw/zinc/16/88/73/434168873.db2.gz BGALYWVKZQWDDA-UHFFFAOYSA-N 1 1 301.346 3.021 20 5 DGBDMO C[C@H]1[N@@H+](C/C=C/c2ccccc2[N+](=O)[O-])CCC12CCOCC2 ZINC000363871138 434172503 /nfs/dbraw/zinc/17/25/03/434172503.db2.gz ZLMZRHIOFQPGFB-CSPWOOARSA-N 1 1 316.401 3.499 20 5 DGBDMO CC(C)[N@H+]1CC[C@@H](CNc2ccc([N+](=O)[O-])c3cccnc23)C1 ZINC000320402864 434236039 /nfs/dbraw/zinc/23/60/39/434236039.db2.gz WAVRNMBJMMGFAV-ZDUSSCGKSA-N 1 1 314.389 3.285 20 5 DGBDMO CCOc1ccc([N+](=O)[O-])cc1C[N@H+]1CCCC[C@H](COC)C1 ZINC000364125939 434239389 /nfs/dbraw/zinc/23/93/89/434239389.db2.gz KJWHJIVXOPKFTL-AWEZNQCLSA-N 1 1 322.405 3.242 20 5 DGBDMO C[N@H+]1CCCC[C@@H]1CCn1cc(-c2cccc([N+](=O)[O-])c2)cn1 ZINC000340710873 434316894 /nfs/dbraw/zinc/31/68/94/434316894.db2.gz ZUJGNGCSLLCTET-MRXNPFEDSA-N 1 1 314.389 3.333 20 5 DGBDMO CCC[C@@H](NC[C@@]1(C)CCC[NH2+]C1)c1cccc([N+](=O)[O-])c1 ZINC000423321538 434360581 /nfs/dbraw/zinc/36/05/81/434360581.db2.gz GIEZEOCQKDOGLW-SJORKVTESA-N 1 1 305.422 3.415 20 5 DGBDMO Cc1[nH+]ccn1-c1cncc(N[C@H](C)c2ccccc2[N+](=O)[O-])n1 ZINC000340991515 434473716 /nfs/dbraw/zinc/47/37/16/434473716.db2.gz LYYYSZMVWQBWKE-LLVKDONJSA-N 1 1 324.344 3.052 20 5 DGBDMO O=[N+]([O-])c1cc(Cl)ccc1C[N@H+]1CC[C@H]([C@@H]2CCOC2)C1 ZINC000366651113 434474206 /nfs/dbraw/zinc/47/42/06/434474206.db2.gz HJKWSXPITGAAIA-WCQYABFASA-N 1 1 310.781 3.107 20 5 DGBDMO CC[N@H+]1C[C@H](C)N(C/C=C\c2ccccc2[N+](=O)[O-])C[C@H]1C ZINC000353817035 434454054 /nfs/dbraw/zinc/45/40/54/434454054.db2.gz GBRUIBYOUVSINY-MJYKILKPSA-N 1 1 303.406 3.023 20 5 DGBDMO C[C@H]([NH2+]Cc1c([N+](=O)[O-])ncn1C)c1ccc2ccccc2c1 ZINC000341069139 434527094 /nfs/dbraw/zinc/52/70/94/434527094.db2.gz NXHMWCFHTWZCJL-LBPRGKRZSA-N 1 1 310.357 3.332 20 5 DGBDMO O=[N+]([O-])c1ccccc1/C=C/C[N@H+]1CC[C@H](COC(F)F)C1 ZINC000348882634 434540236 /nfs/dbraw/zinc/54/02/36/434540236.db2.gz ZBRPSQZOKPERTA-PYEVWLCESA-N 1 1 312.316 3.169 20 5 DGBDMO C[C@@]1(CCCO)CCC[N@H+]1C/C=C\c1ccccc1[N+](=O)[O-] ZINC000349153080 434620485 /nfs/dbraw/zinc/62/04/85/434620485.db2.gz REHVEUKTAMMFAK-LYLYKKCESA-N 1 1 304.390 3.235 20 5 DGBDMO C[C@H]1CC[N@@H+](Cc2ccc(-c3ccccc3[N+](=O)[O-])o2)C[C@@H]1O ZINC000349341331 434679456 /nfs/dbraw/zinc/67/94/56/434679456.db2.gz AUXJEGYZGFBMDZ-LRDDRELGSA-N 1 1 316.357 3.058 20 5 DGBDMO C[C@@H](C[N@@H+](C)Cc1cccc([N+](=O)[O-])c1)C(=O)OC(C)(C)C ZINC000459765935 434706325 /nfs/dbraw/zinc/70/63/25/434706325.db2.gz JONFSJOAFSEPIF-LBPRGKRZSA-N 1 1 308.378 3.004 20 5 DGBDMO COc1ccc([N+](=O)[O-])c(NC[C@@H](C)[N@H+]2CCC[C@@H](C)C2)c1 ZINC000360951785 434741555 /nfs/dbraw/zinc/74/15/55/434741555.db2.gz SMWYHVFHRHFOIQ-CHWSQXEVSA-N 1 1 307.394 3.136 20 5 DGBDMO CC1(C)C[N@@H+](CCOc2cccc([N+](=O)[O-])c2)[C@@H]2CCC[C@H]2O1 ZINC000440955530 434757553 /nfs/dbraw/zinc/75/75/53/434757553.db2.gz GGXXSODMPBFUFI-HZPDHXFCSA-N 1 1 320.389 3.006 20 5 DGBDMO C[C@@H](c1ccccc1[N+](=O)[O-])[N@H+]1CCC[C@@H](n2cccn2)C1 ZINC000441481439 434763436 /nfs/dbraw/zinc/76/34/36/434763436.db2.gz NRBXMNSQDKYBPC-UONOGXRCSA-N 1 1 300.362 3.189 20 5 DGBDMO C[C@H]1CCC[C@H](C)[N@@H+](Cc2nc3cc([N+](=O)[O-])ccc3[nH]2)C1 ZINC000444638759 434787738 /nfs/dbraw/zinc/78/77/38/434787738.db2.gz LVBNBXQTKYKHRR-RYUDHWBXSA-N 1 1 302.378 3.482 20 5 DGBDMO CC[C@@H]1CCCC[C@@H]1[N@@H+](C)CC(=O)Nc1ccccc1[N+](=O)[O-] ZINC000444658815 434788457 /nfs/dbraw/zinc/78/84/57/434788457.db2.gz BUQDTUIHZSOTCK-HIFRSBDPSA-N 1 1 319.405 3.434 20 5 DGBDMO Cc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@@H+]1C[C@H](C)[C@H](C)[C@H]1C ZINC000419372734 434780715 /nfs/dbraw/zinc/78/07/15/434780715.db2.gz MWPZYELLZMMWPM-MELADBBJSA-N 1 1 319.405 3.208 20 5 DGBDMO CC(C)c1ccc(CN2CC[N@@H+](C)[C@H](C)[C@@H]2C)cc1[N+](=O)[O-] ZINC000361168357 434820135 /nfs/dbraw/zinc/82/01/35/434820135.db2.gz SISGJSIQKRZVNE-KGLIPLIRSA-N 1 1 305.422 3.243 20 5 DGBDMO COc1cc([N+](=O)[O-])ccc1C[N@H+]1CCSC2(CCC2)CC1 ZINC000411879255 434839708 /nfs/dbraw/zinc/83/97/08/434839708.db2.gz YUWNWRCEFKHKEM-UHFFFAOYSA-N 1 1 322.430 3.465 20 5 DGBDMO O=[N+]([O-])c1ccc(C[N@@H+]2C[C@H](O)C[C@@H]2c2ccccc2)c(F)c1 ZINC000411959557 434848520 /nfs/dbraw/zinc/84/85/20/434848520.db2.gz YHRYZHOHAMPRTB-NVXWUHKLSA-N 1 1 316.332 3.042 20 5 DGBDMO O=[N+]([O-])c1ccc(C[N@H+]2C[C@H](O)C[C@@H]2c2ccccc2)c(F)c1 ZINC000411959557 434848523 /nfs/dbraw/zinc/84/85/23/434848523.db2.gz YHRYZHOHAMPRTB-NVXWUHKLSA-N 1 1 316.332 3.042 20 5 DGBDMO Cc1cccc([N+](=O)[O-])c1NC(=O)C[N@H+]1C[C@H](C)CC(C)(C)C1 ZINC000521418059 434883308 /nfs/dbraw/zinc/88/33/08/434883308.db2.gz VWANHCCNPHZPTE-GFCCVEGCSA-N 1 1 319.405 3.210 20 5 DGBDMO Cc1cccc([N+](=O)[O-])c1NC(=O)C[N@@H+]1C[C@H](C)CC(C)(C)C1 ZINC000521418059 434883312 /nfs/dbraw/zinc/88/33/12/434883312.db2.gz VWANHCCNPHZPTE-GFCCVEGCSA-N 1 1 319.405 3.210 20 5 DGBDMO Cc1cccc([N+](=O)[O-])c1NC(=O)C[N@H+]1C[C@@H](C)CC(C)(C)C1 ZINC000521418060 434883947 /nfs/dbraw/zinc/88/39/47/434883947.db2.gz VWANHCCNPHZPTE-LBPRGKRZSA-N 1 1 319.405 3.210 20 5 DGBDMO Cc1cccc([N+](=O)[O-])c1NC(=O)C[N@@H+]1C[C@@H](C)CC(C)(C)C1 ZINC000521418060 434883953 /nfs/dbraw/zinc/88/39/53/434883953.db2.gz VWANHCCNPHZPTE-LBPRGKRZSA-N 1 1 319.405 3.210 20 5 DGBDMO CCC[N@@H+](C/C=C/c1ccccc1[N+](=O)[O-])CCCN(C)C ZINC000554883316 434950867 /nfs/dbraw/zinc/95/08/67/434950867.db2.gz BPIQNICYMKKIRB-JXMROGBWSA-N 1 1 305.422 3.272 20 5 DGBDMO CCC[N@H+](C/C=C/c1ccccc1[N+](=O)[O-])CCCN(C)C ZINC000554883316 434950872 /nfs/dbraw/zinc/95/08/72/434950872.db2.gz BPIQNICYMKKIRB-JXMROGBWSA-N 1 1 305.422 3.272 20 5 DGBDMO COC(C)(C)C[N@@H+](C)Cc1cc([N+](=O)[O-])ccc1C(F)(F)F ZINC000555379780 434971523 /nfs/dbraw/zinc/97/15/23/434971523.db2.gz LPPCJSZPRZAADQ-UHFFFAOYSA-N 1 1 320.311 3.470 20 5 DGBDMO CC[C@@H]1CCCC[N@H+]1CCNc1cc(OC)ccc1[N+](=O)[O-] ZINC000462833675 434933013 /nfs/dbraw/zinc/93/30/13/434933013.db2.gz MYILXVMSOKDXNG-CYBMUJFWSA-N 1 1 307.394 3.280 20 5 DGBDMO CCOc1cc(C[N@H+]2CCCC[C@@H]2[C@H](O)CC)ccc1[N+](=O)[O-] ZINC000492462277 434987427 /nfs/dbraw/zinc/98/74/27/434987427.db2.gz MMUZAWLYBJHHDY-GDBMZVCRSA-N 1 1 322.405 3.119 20 5 DGBDMO COc1ccc(OCC[N@@H+](C2CC2)C2CCCC2)c([N+](=O)[O-])c1 ZINC000524755798 434989195 /nfs/dbraw/zinc/98/91/95/434989195.db2.gz CHOKMWFQZVBUHB-UHFFFAOYSA-N 1 1 320.389 3.389 20 5 DGBDMO CCO[C@H]1C[C@H]([N@@H+](C)CCOc2ccccc2[N+](=O)[O-])C1(C)C ZINC000524893397 434995585 /nfs/dbraw/zinc/99/55/85/434995585.db2.gz QOZIWFMBITZPTO-HOTGVXAUSA-N 1 1 322.405 3.109 20 5 DGBDMO CCC[C@H]1CCC[N@H+]([C@@H](C)C(=O)Nc2ccccc2[N+](=O)[O-])C1 ZINC000466489261 435078716 /nfs/dbraw/zinc/07/87/16/435078716.db2.gz AJHGAGAMHMURIX-KBPBESRZSA-N 1 1 319.405 3.434 20 5 DGBDMO CCOc1cc(C[N@@H+](CCO)C2CCCCC2)ccc1[N+](=O)[O-] ZINC000492694143 435036468 /nfs/dbraw/zinc/03/64/68/435036468.db2.gz CLMNCTWHDZHQII-UHFFFAOYSA-N 1 1 322.405 3.121 20 5 DGBDMO C/C(=C\c1cccc([N+](=O)[O-])c1)C[N@H+]1CCC[C@@H](CO)CC1 ZINC000556966759 435041472 /nfs/dbraw/zinc/04/14/72/435041472.db2.gz CLBPQXBGAQRVMA-YVGNARHYSA-N 1 1 304.390 3.093 20 5 DGBDMO O=[N+]([O-])c1ccccc1OCC[N@H+]1CCC[C@@H]1c1ccccn1 ZINC000530724429 435048723 /nfs/dbraw/zinc/04/87/23/435048723.db2.gz IEMASRNYCRPTEC-OAHLLOKOSA-N 1 1 313.357 3.206 20 5 DGBDMO COCC[N@@H+](Cc1c(Cl)cccc1[N+](=O)[O-])CC(C)C ZINC000494177148 435193296 /nfs/dbraw/zinc/19/32/96/435193296.db2.gz UWMFTSDYPNRPKW-UHFFFAOYSA-N 1 1 300.786 3.353 20 5 DGBDMO COCC[N@H+](Cc1c(Cl)cccc1[N+](=O)[O-])CC(C)C ZINC000494177148 435193300 /nfs/dbraw/zinc/19/33/00/435193300.db2.gz UWMFTSDYPNRPKW-UHFFFAOYSA-N 1 1 300.786 3.353 20 5 DGBDMO Cc1cc([N+](=O)[O-])ccc1NC(=O)C[N@H+](C)[C@H](C)C(C)(C)C ZINC000532927557 435201362 /nfs/dbraw/zinc/20/13/62/435201362.db2.gz CDZNABFOAHIVDI-GFCCVEGCSA-N 1 1 307.394 3.208 20 5 DGBDMO COc1ccc(OCC[N@@H+](CC2CC2)C(C)C)c([N+](=O)[O-])c1 ZINC000533037132 435206141 /nfs/dbraw/zinc/20/61/41/435206141.db2.gz UMIOHFCMKPDMRA-UHFFFAOYSA-N 1 1 308.378 3.103 20 5 DGBDMO CC(C)n1ccc(C[NH2+][C@H]2CCc3c2cccc3[N+](=O)[O-])n1 ZINC000579613904 435169518 /nfs/dbraw/zinc/16/95/18/435169518.db2.gz IHRDFFUNVOOXSE-HNNXBMFYSA-N 1 1 300.362 3.149 20 5 DGBDMO Cc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@@H+](CC1CC1)C(C)C ZINC000533489934 435239478 /nfs/dbraw/zinc/23/94/78/435239478.db2.gz YJIZHNBMVRHXLE-UHFFFAOYSA-N 1 1 319.405 3.352 20 5 DGBDMO O=[N+]([O-])c1ccn(CC[N@H+]2CCC[C@H]2CC2CCCCC2)n1 ZINC000478436423 435299846 /nfs/dbraw/zinc/29/98/46/435299846.db2.gz NSCQTNFJZXZUJD-HNNXBMFYSA-N 1 1 306.410 3.226 20 5 DGBDMO CO[C@H](C[N@@H+](C)CCc1ccccc1[N+](=O)[O-])c1ccccc1 ZINC000511124985 435314912 /nfs/dbraw/zinc/31/49/12/435314912.db2.gz NDNUYTXAGRXNGJ-GOSISDBHSA-N 1 1 314.385 3.457 20 5 DGBDMO CCOc1ccc([N+](=O)[O-])cc1C[NH+]1CCC(OC(C)C)CC1 ZINC000535078952 435318805 /nfs/dbraw/zinc/31/88/05/435318805.db2.gz PAEUZFDEWDGTCI-UHFFFAOYSA-N 1 1 322.405 3.383 20 5 DGBDMO C[C@H](CN[C@H]1CCc2c1cccc2[N+](=O)[O-])[N@@H+]1CCC[C@@H](C)C1 ZINC000514827400 435441753 /nfs/dbraw/zinc/44/17/53/435441753.db2.gz WZTBYQZBPWFSNE-CPUCHLNUSA-N 1 1 317.433 3.292 20 5 DGBDMO C[C@H](CN[C@H]1CCc2c1cccc2[N+](=O)[O-])[N@H+]1CCC[C@@H](C)C1 ZINC000514827400 435441758 /nfs/dbraw/zinc/44/17/58/435441758.db2.gz WZTBYQZBPWFSNE-CPUCHLNUSA-N 1 1 317.433 3.292 20 5 DGBDMO CC(C)C[C@@H]1COCC[N@@H+]1C/C=C/c1ccccc1[N+](=O)[O-] ZINC000538731180 435518387 /nfs/dbraw/zinc/51/83/87/435518387.db2.gz KZEKRYXREOYVGS-BIENSFFJSA-N 1 1 304.390 3.355 20 5 DGBDMO CC(C)C[C@@H]1COCC[N@H+]1C/C=C/c1ccccc1[N+](=O)[O-] ZINC000538731180 435518389 /nfs/dbraw/zinc/51/83/89/435518389.db2.gz KZEKRYXREOYVGS-BIENSFFJSA-N 1 1 304.390 3.355 20 5 DGBDMO Cc1cc([N+](=O)[O-])ccc1NC(=O)C[N@H+](C)[C@H]1CCC(C)(C)C1 ZINC000483111180 435496509 /nfs/dbraw/zinc/49/65/09/435496509.db2.gz ZRAGQAKGMSKNDT-AWEZNQCLSA-N 1 1 319.405 3.352 20 5 DGBDMO CCOc1cc(N2CCC3(CCC[N@H+]3C)CC2)ccc1[N+](=O)[O-] ZINC000517768503 435612621 /nfs/dbraw/zinc/61/26/21/435612621.db2.gz NSRFXWLRMRPPGU-UHFFFAOYSA-N 1 1 319.405 3.058 20 5 DGBDMO CCC[C@H](C)[C@H]1CCC[N@H+]1CC(=O)Nc1ccccc1[N+](=O)[O-] ZINC000486803748 435615987 /nfs/dbraw/zinc/61/59/87/435615987.db2.gz SVSPMJSNJRJUBJ-DZGCQCFKSA-N 1 1 319.405 3.434 20 5 DGBDMO COCC[N@@H+](Cc1c(F)cccc1[N+](=O)[O-])[C@H]1CCC[C@@H]1C ZINC000487965744 435631818 /nfs/dbraw/zinc/63/18/18/435631818.db2.gz URODLFBCPWPYAB-WFASDCNBSA-N 1 1 310.369 3.371 20 5 DGBDMO O=[N+]([O-])c1ccc2oc(C[N@H+]3CC[C@H](c4ccncc4)C3)nc2c1 ZINC000570695024 435641937 /nfs/dbraw/zinc/64/19/37/435641937.db2.gz PPCWWNHKUATBAM-ZDUSSCGKSA-N 1 1 324.340 3.121 20 5 DGBDMO Cc1cc([N+](=O)[O-])cc(Cl)c1NC[C@H]1CC[N@H+](C2CC2)C1 ZINC000571787989 435738049 /nfs/dbraw/zinc/73/80/49/435738049.db2.gz WVWKKXIMYHXKMZ-LLVKDONJSA-N 1 1 309.797 3.453 20 5 DGBDMO Cc1ccc([N+](=O)[O-])cc1[C@H](C)[N@@H+]1C[C@H](C)O[C@@H](C2CC2)C1 ZINC000548753085 435715052 /nfs/dbraw/zinc/71/50/52/435715052.db2.gz FCWIGASMMDVJLX-GDZNZVCISA-N 1 1 304.390 3.464 20 5 DGBDMO Cc1ccc([N+](=O)[O-])cc1[C@H](C)[N@H+]1C[C@H](C)O[C@@H](C2CC2)C1 ZINC000548753085 435715058 /nfs/dbraw/zinc/71/50/58/435715058.db2.gz FCWIGASMMDVJLX-GDZNZVCISA-N 1 1 304.390 3.464 20 5 DGBDMO CC[N@@H+](CCNc1ccc(F)cc1[N+](=O)[O-])CCC(F)(F)F ZINC000491546397 435768345 /nfs/dbraw/zinc/76/83/45/435768345.db2.gz MXZXJBYVBNIKCV-UHFFFAOYSA-N 1 1 323.290 3.420 20 5 DGBDMO CCn1nc(C)c([N+](=O)[O-])c1Nc1ccc2c(c1)[nH+]c(C)n2C ZINC000530423248 313368311 /nfs/dbraw/zinc/36/83/11/313368311.db2.gz DZRDRFUHQORWKY-UHFFFAOYSA-N 1 1 314.349 3.058 20 5 DGBDMO C[N@H+](CCc1ccccc1O)Cc1ccc([N+](=O)[O-])cc1F ZINC000543245526 314123308 /nfs/dbraw/zinc/12/33/08/314123308.db2.gz SSYNXFVLEJHMMH-UHFFFAOYSA-N 1 1 304.321 3.114 20 5 DGBDMO C[N@@H+](CCc1ccccc1O)Cc1ccc([N+](=O)[O-])cc1F ZINC000543245526 314123311 /nfs/dbraw/zinc/12/33/11/314123311.db2.gz SSYNXFVLEJHMMH-UHFFFAOYSA-N 1 1 304.321 3.114 20 5 DGBDMO C[C@@H](C(=O)Nc1cccc([N+](=O)[O-])c1)[N@H+]1CC[C@@H](C(C)(C)C)C1 ZINC000543249557 314124158 /nfs/dbraw/zinc/12/41/58/314124158.db2.gz JPENDIZIJOGJCP-QWHCGFSZSA-N 1 1 319.405 3.290 20 5 DGBDMO Cc1ccc([N+](=O)[O-])cc1[C@@H](C)[NH2+][C@@H](CCO)c1ccco1 ZINC000545984956 314282320 /nfs/dbraw/zinc/28/23/20/314282320.db2.gz ZEJAGEQFUCDYOK-DOMZBBRYSA-N 1 1 304.346 3.271 20 5 DGBDMO COc1ccncc1C[NH2+][C@@H](C)c1cc([N+](=O)[O-])ccc1C ZINC000551228308 314554066 /nfs/dbraw/zinc/55/40/66/314554066.db2.gz FESDGZYVWDEVQG-LBPRGKRZSA-N 1 1 301.346 3.158 20 5 DGBDMO O=[N+]([O-])c1cccc2c1CC[C@H]2[NH2+][C@@H]1COc2ccc(F)cc21 ZINC000572661310 315809279 /nfs/dbraw/zinc/80/92/79/315809279.db2.gz DBUUOLSEHSDNTA-HUUCEWRRSA-N 1 1 314.316 3.445 20 5 DGBDMO C/C(=C\c1cccc([N+](=O)[O-])c1)CNC[C@H]1CC[N@@H+](C(C)C)C1 ZINC000576742579 316161935 /nfs/dbraw/zinc/16/19/35/316161935.db2.gz VKUCKXQHLJBEFH-NQUDRAQSSA-N 1 1 317.433 3.318 20 5 DGBDMO C/C(=C\c1cccc([N+](=O)[O-])c1)CNC[C@H]1CC[N@H+](C(C)C)C1 ZINC000576742579 316161938 /nfs/dbraw/zinc/16/19/38/316161938.db2.gz VKUCKXQHLJBEFH-NQUDRAQSSA-N 1 1 317.433 3.318 20 5 DGBDMO CC[C@@H]([NH2+]Cc1cc([N+](=O)[O-])ccc1OC)c1c(C)noc1C ZINC000182400498 323296400 /nfs/dbraw/zinc/29/64/00/323296400.db2.gz ZRUHPRGKEHCBHO-CQSZACIVSA-N 1 1 319.361 3.449 20 5 DGBDMO CCC[C@H]1CCCC[N@H+]1CC(=O)Nc1ccccc1[N+](=O)[O-] ZINC000185858604 323396653 /nfs/dbraw/zinc/39/66/53/323396653.db2.gz LQEBGMUMULEJTN-ZDUSSCGKSA-N 1 1 305.378 3.188 20 5 DGBDMO CC(C)[N@H+](Cc1ccc([N+](=O)[O-])cc1)C[C@H]1CCCC[C@H]1O ZINC000582065802 324185509 /nfs/dbraw/zinc/18/55/09/324185509.db2.gz FTMBAHFLFQXEED-NVXWUHKLSA-N 1 1 306.406 3.356 20 5 DGBDMO C[C@H](Cc1ccsc1)[N@@H+]1CCOc2ccc([N+](=O)[O-])cc2C1 ZINC000583115867 324314294 /nfs/dbraw/zinc/31/42/94/324314294.db2.gz DUVNOQHOGHJJDL-GFCCVEGCSA-N 1 1 318.398 3.482 20 5 DGBDMO C[C@H](Cc1ccsc1)[N@H+]1CCOc2ccc([N+](=O)[O-])cc2C1 ZINC000583115867 324314295 /nfs/dbraw/zinc/31/42/95/324314295.db2.gz DUVNOQHOGHJJDL-GFCCVEGCSA-N 1 1 318.398 3.482 20 5 DGBDMO CCC(=O)c1ccc(N[C@@H](C)C[N@@H+](C)C(C)C)c([N+](=O)[O-])c1 ZINC000583413639 324350054 /nfs/dbraw/zinc/35/00/54/324350054.db2.gz MPZNMUFCFRMMLS-LBPRGKRZSA-N 1 1 307.394 3.328 20 5 DGBDMO C/C(=C/c1cccc([N+](=O)[O-])c1)CN(C)C[C@@H]1CCC[N@H+]1C ZINC000421412954 500571600 /nfs/dbraw/zinc/57/16/00/500571600.db2.gz UVWANEJGXJGZOG-QXSWTLKVSA-N 1 1 303.406 3.024 20 5 DGBDMO C/C(=C/c1cccc([N+](=O)[O-])c1)C[N@@H+](C)C[C@@H]1CCCN1C ZINC000421412954 500571602 /nfs/dbraw/zinc/57/16/02/500571602.db2.gz UVWANEJGXJGZOG-QXSWTLKVSA-N 1 1 303.406 3.024 20 5 DGBDMO C/C(=C/c1cccc([N+](=O)[O-])c1)C[N@H+](C)C[C@@H]1CCCN1C ZINC000421412954 500571603 /nfs/dbraw/zinc/57/16/03/500571603.db2.gz UVWANEJGXJGZOG-QXSWTLKVSA-N 1 1 303.406 3.024 20 5 DGBDMO C[C@@H](O)C[C@@H]1CCCCC[N@H+]1Cc1ccc([N+](=O)[O-])cc1F ZINC000319343722 533734237 /nfs/dbraw/zinc/73/42/37/533734237.db2.gz PDNBIAUJMDYYFW-OCCSQVGLSA-N 1 1 310.369 3.249 20 5 DGBDMO COc1cc(C[N@@H+](C)[C@H]2CC[C@@H](C)C2)c([N+](=O)[O-])cc1OC ZINC000433036852 533795202 /nfs/dbraw/zinc/79/52/02/533795202.db2.gz ZNLGTRPFZNNXQL-YPMHNXCESA-N 1 1 308.378 3.232 20 5 DGBDMO CSC[C@H]1CCC[N@H+](Cc2c(F)cc([N+](=O)[O-])cc2F)C1 ZINC000292491898 533810794 /nfs/dbraw/zinc/81/07/94/533810794.db2.gz SZTOADJSFXJGQE-JTQLQIEISA-N 1 1 316.373 3.448 20 5 DGBDMO CSC[C@H]1CCC[N@@H+](Cc2c(F)cc([N+](=O)[O-])cc2F)C1 ZINC000292491898 533810800 /nfs/dbraw/zinc/81/08/00/533810800.db2.gz SZTOADJSFXJGQE-JTQLQIEISA-N 1 1 316.373 3.448 20 5 DGBDMO Cc1c(C[N@@H+]2CCCCC[C@@H]2C[C@H](C)O)cccc1[N+](=O)[O-] ZINC000318457806 533843711 /nfs/dbraw/zinc/84/37/11/533843711.db2.gz QLYFYYSZPUIVMA-XJKSGUPXSA-N 1 1 306.406 3.419 20 5 DGBDMO Cc1ccc(C[N@H+]2CCC[C@@H](OCC3CC3)C2)cc1[N+](=O)[O-] ZINC000428389843 533924710 /nfs/dbraw/zinc/92/47/10/533924710.db2.gz AEZLJSZMRODXPC-MRXNPFEDSA-N 1 1 304.390 3.294 20 5 DGBDMO Cc1ccc([N+](=O)[O-])cc1NC(=O)[C@H](C)[N@@H+]1[C@H](C)CC[C@@H]1C ZINC000298121444 534343635 /nfs/dbraw/zinc/34/36/35/534343635.db2.gz BSSYLAVWLYUNAB-XQQFMLRXSA-N 1 1 305.378 3.103 20 5 DGBDMO CCC[N@@H+](C)C[C@H]1CCN(c2c(Cl)cccc2[N+](=O)[O-])C1 ZINC000432311124 527852016 /nfs/dbraw/zinc/85/20/16/527852016.db2.gz DVTIYXHXCNOQNL-GFCCVEGCSA-N 1 1 311.813 3.416 20 5 DGBDMO CCO[C@H]1C[C@H]([N@@H+](C)Cc2ccc([N+](=O)[O-])cc2OC)C1(C)C ZINC000430228609 528131255 /nfs/dbraw/zinc/13/12/55/528131255.db2.gz SNAYPAQKXWJHRP-HOTGVXAUSA-N 1 1 322.405 3.239 20 5 DGBDMO CCCC[N@@H+](CC(=O)Nc1ccc([N+](=O)[O-])cc1C)C1CC1 ZINC000434576274 528376072 /nfs/dbraw/zinc/37/60/72/528376072.db2.gz QYJPBVZBDFBJSE-UHFFFAOYSA-N 1 1 305.378 3.106 20 5 DGBDMO CC(C)[C@@H]1CCC[N@H+]([C@H](C)C(=O)Nc2ccccc2[N+](=O)[O-])C1 ZINC000444748201 528670358 /nfs/dbraw/zinc/67/03/58/528670358.db2.gz HKFAUZBUZNHMLU-ZIAGYGMSSA-N 1 1 319.405 3.290 20 5 DGBDMO CC[N@@H+](Cc1cc(Cl)cc(Cl)c1[N+](=O)[O-])[C@H](C)CO ZINC000292371517 528766859 /nfs/dbraw/zinc/76/68/59/528766859.db2.gz YQFCKGOVTWIPSY-MRVPVSSYSA-N 1 1 307.177 3.104 20 5 DGBDMO CC1(C)CCC[N@@H+](CCNc2ncc([N+](=O)[O-])cc2Cl)C1 ZINC000443969470 528938459 /nfs/dbraw/zinc/93/84/59/528938459.db2.gz YEIDORAFIDPWDQ-UHFFFAOYSA-N 1 1 312.801 3.177 20 5 DGBDMO CC[N@H+]1CCC[C@@H]1CNc1nccc2ccc([N+](=O)[O-])cc21 ZINC000413026459 529082282 /nfs/dbraw/zinc/08/22/82/529082282.db2.gz VIGWXEXOBQSIBW-CQSZACIVSA-N 1 1 300.362 3.039 20 5 DGBDMO CC[C@H]1CCCC[C@H]1[N@@H+](C)CC(=O)Nc1ccccc1[N+](=O)[O-] ZINC000444658813 529209938 /nfs/dbraw/zinc/20/99/38/529209938.db2.gz BUQDTUIHZSOTCK-DZGCQCFKSA-N 1 1 319.405 3.434 20 5 DGBDMO CO[C@@H]1CC[N@@H+](C/C(C)=C/c2cccc([N+](=O)[O-])c2)C[C@@H]1C ZINC000449497921 536678962 /nfs/dbraw/zinc/67/89/62/536678962.db2.gz KSJKYYZSRNAVJJ-DGCDQZBQSA-N 1 1 304.390 3.355 20 5 DGBDMO COCC1=CC[N@@H+](C/C(C)=C/c2cccc([N+](=O)[O-])c2)CC1 ZINC000470212276 536832271 /nfs/dbraw/zinc/83/22/71/536832271.db2.gz SHXNOBRPJAEXLC-GXDHUFHOSA-N 1 1 302.374 3.277 20 5 DGBDMO CC[C@@H](C)C[N@@H+](C)CC(=O)Nc1cc(Cl)ccc1[N+](=O)[O-] ZINC000732205753 574568324 /nfs/dbraw/zinc/56/83/24/574568324.db2.gz LMEVSWIUMWLUQT-SNVBAGLBSA-N 1 1 313.785 3.165 20 5 DGBDMO CC[N@@H+](CC(=O)Nc1ccc(Cl)c([N+](=O)[O-])c1)C1CCC1 ZINC000738312954 574865667 /nfs/dbraw/zinc/86/56/67/574865667.db2.gz SBNJYNWEYSSGHB-UHFFFAOYSA-N 1 1 311.769 3.061 20 5 DGBDMO CC1(C)[C@@H]2C[N@@H+](Cn3c4cc([N+](=O)[O-])ccc4oc3=S)C[C@@H]21 ZINC000742167143 574983547 /nfs/dbraw/zinc/98/35/47/574983547.db2.gz UXEFVFAGPONQAC-PHIMTYICSA-N 1 1 319.386 3.417 20 5 DGBDMO CC1(C)[C@@H]2C[N@H+](Cn3c4cc([N+](=O)[O-])ccc4oc3=S)C[C@@H]21 ZINC000742167143 574983549 /nfs/dbraw/zinc/98/35/49/574983549.db2.gz UXEFVFAGPONQAC-PHIMTYICSA-N 1 1 319.386 3.417 20 5 DGBDMO O=[N+]([O-])c1ccc(Cl)cc1C[NH+]1CCC(c2cn[nH]c2)CC1 ZINC000746666127 575467754 /nfs/dbraw/zinc/46/77/54/575467754.db2.gz IWJQVGWXFGYPLM-UHFFFAOYSA-N 1 1 320.780 3.351 20 5 DGBDMO O=[N+]([O-])c1ccc(Cl)c(C[N@H+]2CCC[C@H]([C@@H]3CCOC3)C2)c1 ZINC000749558954 575664908 /nfs/dbraw/zinc/66/49/08/575664908.db2.gz KDZXNMOILVDIBI-QWHCGFSZSA-N 1 1 324.808 3.497 20 5 DGBDMO O=[N+]([O-])c1cccc([C@@H](O)C[N@H+]2CCCc3sccc3C2)c1 ZINC000750065669 575701831 /nfs/dbraw/zinc/70/18/31/575701831.db2.gz CUNPTRGJUCOHTK-HNNXBMFYSA-N 1 1 318.398 3.138 20 5 DGBDMO CO[C@]1(C)C[C@@H]([N@@H+](C)Cc2cc(F)ccc2[N+](=O)[O-])C1(C)C ZINC000752074869 575821150 /nfs/dbraw/zinc/82/11/50/575821150.db2.gz JAAQRYQMUOTFNT-GDBMZVCRSA-N 1 1 310.369 3.369 20 5 DGBDMO CC(C)[C@@H](C)[N@@H+](C)CC(=O)Nc1ccc(Cl)c([N+](=O)[O-])c1 ZINC000728052385 576160004 /nfs/dbraw/zinc/16/00/04/576160004.db2.gz CTUNNMDOEMFMIF-SNVBAGLBSA-N 1 1 313.785 3.163 20 5 DGBDMO O=C(C[N@H+]1CCC[C@H]1C1CC1)Nc1ccc(Cl)c([N+](=O)[O-])c1 ZINC000728572205 576188614 /nfs/dbraw/zinc/18/86/14/576188614.db2.gz YPLUOPQHOGPSEY-ZDUSSCGKSA-N 1 1 323.780 3.061 20 5 DGBDMO O=[N+]([O-])c1ccc(F)cc1C[N@@H+]1C[C@]23COC[C@@]2(C1)CCCC3 ZINC000852759238 620646040 /nfs/dbraw/zinc/64/60/40/620646040.db2.gz LVOIKGNIRNCYTF-CALCHBBNSA-N 1 1 320.364 3.127 20 5 DGBDMO O=[N+]([O-])c1cccc([C@H](O)C[N@H+]2CC3CC2(c2ccccc2)C3)c1 ZINC000852761203 620646639 /nfs/dbraw/zinc/64/66/39/620646639.db2.gz IJEANZWPYNTFRP-PJOPYLDSSA-N 1 1 324.380 3.249 20 5 DGBDMO C[C@H](CNc1ccc([N+](=O)[O-])cc1[N+](=O)[O-])[N@H+]1CCCC[C@@H]1C ZINC000917064687 620654456 /nfs/dbraw/zinc/65/44/56/620654456.db2.gz GLEAXIZQYIZYNQ-NWDGAFQWSA-N 1 1 322.365 3.178 20 5 DGBDMO C[C@@H](CNc1ccc([N+](=O)[O-])cc1[N+](=O)[O-])[N@H+]1CCCC[C@@H]1C ZINC000917064688 620654486 /nfs/dbraw/zinc/65/44/86/620654486.db2.gz GLEAXIZQYIZYNQ-RYUDHWBXSA-N 1 1 322.365 3.178 20 5 DGBDMO CCC[N@@H+](C)CC(C)(C)NC(=S)Nc1ccc([N+](=O)[O-])cc1 ZINC000853045590 620663544 /nfs/dbraw/zinc/66/35/44/620663544.db2.gz WMKHDQMMJHRIBN-UHFFFAOYSA-N 1 1 324.450 3.002 20 5 DGBDMO CCCC[N@@H+](Cn1c(=O)oc2ccc([N+](=O)[O-])cc21)[C@H](C)CC ZINC000917436296 620668605 /nfs/dbraw/zinc/66/86/05/620668605.db2.gz AJBSHHRLAGQRRK-GFCCVEGCSA-N 1 1 321.377 3.361 20 5 DGBDMO CN(C[C@@H]1CCC[N@@H+](C)C1)c1ccc(C(F)F)cc1[N+](=O)[O-] ZINC000853339727 620687941 /nfs/dbraw/zinc/68/79/41/620687941.db2.gz YYOHRDLHRVPMDU-LLVKDONJSA-N 1 1 313.348 3.310 20 5 DGBDMO CC[N@H+]1CCCN(c2nc3ccc([N+](=O)[O-])cc3s2)[C@@H](C)C1 ZINC000853686786 620724754 /nfs/dbraw/zinc/72/47/54/620724754.db2.gz MGKDPTHVRCJROY-NSHDSACASA-N 1 1 320.418 3.125 20 5 DGBDMO CC(C)[N@H+]1CCC[C@@H]1c1nc(-c2ccc([N+](=O)[O-])cc2)no1 ZINC000923760477 620734666 /nfs/dbraw/zinc/73/46/66/620734666.db2.gz SMDOJUSHFGOHIY-CYBMUJFWSA-N 1 1 302.334 3.190 20 5 DGBDMO Nc1ccc(NC[C@@H]2CCC[N@H+]2C2CCCCC2)c([N+](=O)[O-])c1 ZINC000804683707 617650914 /nfs/dbraw/zinc/65/09/14/617650914.db2.gz VXSOMMCJLOCARV-HNNXBMFYSA-N 1 1 318.421 3.386 20 5 DGBDMO O=[N+]([O-])c1c(F)cccc1NC[C@H]1CCC[N@@H+](CC2CC2)C1 ZINC000854000539 620761286 /nfs/dbraw/zinc/76/12/86/620761286.db2.gz ZVUFTWSGIPLBML-CYBMUJFWSA-N 1 1 307.369 3.268 20 5 DGBDMO COc1c(O)ccc(C[NH2+]Cc2ccc(C)c(F)c2)c1[N+](=O)[O-] ZINC000892472691 618074815 /nfs/dbraw/zinc/07/48/15/618074815.db2.gz BRCAFMLISBSCBY-UHFFFAOYSA-N 1 1 320.320 3.046 20 5 DGBDMO COc1c(O)ccc(CNc2cc(C3CC3)cc[nH+]2)c1[N+](=O)[O-] ZINC000894553774 618384693 /nfs/dbraw/zinc/38/46/93/618384693.db2.gz YCTINGZSCWKQML-UHFFFAOYSA-N 1 1 315.329 3.194 20 5 DGBDMO Cc1nc(C[NH3+])ccc1[C@H](C)N[C@H](C)c1ccc([N+](=O)[O-])cc1 ZINC000925827426 618639005 /nfs/dbraw/zinc/63/90/05/618639005.db2.gz RZQKSOBATLPKFA-NEPJUHHUSA-N 1 1 314.389 3.169 20 5 DGBDMO C[C@H]1CCC[N@H+]1CCNc1nc2ccccc2cc1[N+](=O)[O-] ZINC000788847323 625280461 /nfs/dbraw/zinc/28/04/61/625280461.db2.gz DYEUUGHSBMNWSF-LBPRGKRZSA-N 1 1 300.362 3.039 20 5 DGBDMO C[C@@H]1CCC[N@H+]1CCNc1nc2ccccc2cc1[N+](=O)[O-] ZINC000788847322 625280891 /nfs/dbraw/zinc/28/08/91/625280891.db2.gz DYEUUGHSBMNWSF-GFCCVEGCSA-N 1 1 300.362 3.039 20 5 DGBDMO C[C@H](O)[C@@H]([NH2+]Cc1ccc(Cl)cc1[N+](=O)[O-])c1ccccc1 ZINC000895472727 618789089 /nfs/dbraw/zinc/78/90/89/618789089.db2.gz KDFNJWJCVVNFCU-MEDUHNTESA-N 1 1 320.776 3.460 20 5 DGBDMO COc1c(O)ccc(C[N@H+]2CCCC3(CC3)CC2)c1[N+](=O)[O-] ZINC000895664957 618812687 /nfs/dbraw/zinc/81/26/87/618812687.db2.gz DUXYMJNRCNOVIL-UHFFFAOYSA-N 1 1 306.362 3.075 20 5 DGBDMO CC(=O)c1ccc(NCCNc2ccc(C)c[nH+]2)c([N+](=O)[O-])c1 ZINC000896455667 618915754 /nfs/dbraw/zinc/91/57/54/618915754.db2.gz HMVRWGOIVKRMGQ-UHFFFAOYSA-N 1 1 314.345 3.025 20 5 DGBDMO C[C@H]1[C@H](NCc2cc(Cl)cc(Cl)c2[N+](=O)[O-])CC[N@@H+]1C ZINC000896555891 618928277 /nfs/dbraw/zinc/92/82/77/618928277.db2.gz RQECZMDLDGZNQW-QPUJVOFHSA-N 1 1 318.204 3.084 20 5 DGBDMO C[C@H]1[C@H](NCc2cc(Cl)cc(Cl)c2[N+](=O)[O-])CC[N@H+]1C ZINC000896555891 618928280 /nfs/dbraw/zinc/92/82/80/618928280.db2.gz RQECZMDLDGZNQW-QPUJVOFHSA-N 1 1 318.204 3.084 20 5 DGBDMO Cn1nc(C2CC2)cc1C[NH2+]Cc1ccc([N+](=O)[O-])c(Cl)c1 ZINC000897224020 619031956 /nfs/dbraw/zinc/03/19/56/619031956.db2.gz FCMCBNKFXXZYIR-UHFFFAOYSA-N 1 1 320.780 3.149 20 5 DGBDMO CC[C@@H]([NH2+]Cc1ccccc1[N+](=O)[O-])c1cccc(OC)n1 ZINC000925311264 619158493 /nfs/dbraw/zinc/15/84/93/619158493.db2.gz ROELITVUUQATRI-CYBMUJFWSA-N 1 1 301.346 3.239 20 5 DGBDMO O=[N+]([O-])c1cccc(Br)c1Cn1cc[nH+]c1C1CC1 ZINC000901587798 619518970 /nfs/dbraw/zinc/51/89/70/619518970.db2.gz PMXGEFLWZAZEHE-UHFFFAOYSA-N 1 1 322.162 3.480 20 5 DGBDMO CCc1noc(C)c1C[NH2+][C@H](C)c1cc(OC)cc([N+](=O)[O-])c1 ZINC000903175497 619730163 /nfs/dbraw/zinc/73/01/63/619730163.db2.gz TXGPIQKKSSBYGR-SNVBAGLBSA-N 1 1 319.361 3.313 20 5 DGBDMO COc1cc([C@@H](C)[NH2+]Cc2ccc(C)c(C)n2)cc([N+](=O)[O-])c1 ZINC000903182963 619732112 /nfs/dbraw/zinc/73/21/12/619732112.db2.gz IZUBVHXFVCXNSA-CYBMUJFWSA-N 1 1 315.373 3.466 20 5 DGBDMO COc1cc([C@@H](C)N[C@@H]2CC[N@H+](C(C)(C)C)C2)cc([N+](=O)[O-])c1 ZINC000903199626 619734835 /nfs/dbraw/zinc/73/48/35/619734835.db2.gz KWYPVUMHBLGKFR-TZMCWYRMSA-N 1 1 321.421 3.127 20 5 DGBDMO COc1cc([C@@H](C)[NH2+][C@@H]2CCN(C(C)(C)C)C2)cc([N+](=O)[O-])c1 ZINC000903199626 619734836 /nfs/dbraw/zinc/73/48/36/619734836.db2.gz KWYPVUMHBLGKFR-TZMCWYRMSA-N 1 1 321.421 3.127 20 5 DGBDMO Cc1ccc([N+](=O)[O-])cc1[C@H](C)[NH2+]Cc1cc(N(C)C)ccn1 ZINC000903202148 619735783 /nfs/dbraw/zinc/73/57/83/619735783.db2.gz XWKNBAQWWUOXDY-ZDUSSCGKSA-N 1 1 314.389 3.215 20 5 DGBDMO Cc1c([C@@H](C)[NH2+]Cc2cc(N(C)C)ccn2)cccc1[N+](=O)[O-] ZINC000903201765 619736098 /nfs/dbraw/zinc/73/60/98/619736098.db2.gz MUGGBOKDNHBRCS-CYBMUJFWSA-N 1 1 314.389 3.215 20 5 DGBDMO CC(C)([NH3+])CCNCc1ccc(-c2ccc([N+](=O)[O-])cc2)o1 ZINC000903939368 619837995 /nfs/dbraw/zinc/83/79/95/619837995.db2.gz YDVZIBONNBSFRH-UHFFFAOYSA-N 1 1 303.362 3.072 20 5 DGBDMO COc1ccnc([C@@H](C)[NH2+][C@@H](C)c2cccc([N+](=O)[O-])c2)c1 ZINC000924798744 619924713 /nfs/dbraw/zinc/92/47/13/619924713.db2.gz PEYRAIOLIKUFTM-NWDGAFQWSA-N 1 1 301.346 3.410 20 5 DGBDMO Cc1ccc([N+](=O)[O-])c(C)c1NC(=O)[C@@H]1CC[C@@H]2CCCC[N@H+]21 ZINC000908268960 620197192 /nfs/dbraw/zinc/19/71/92/620197192.db2.gz RYPLFHNXGDAIMI-ZFWWWQNUSA-N 1 1 317.389 3.167 20 5 DGBDMO O=[N+]([O-])c1ccc2oc(=S)n(C[NH+]3C4CCC3CC4)c2c1 ZINC000912788753 620406387 /nfs/dbraw/zinc/40/63/87/620406387.db2.gz MLEQBINPMJCFDR-UHFFFAOYSA-N 1 1 305.359 3.456 20 5 DGBDMO Cc1nn(C[N@@H+]2CC[C@H](C)[C@@H]3CCCC[C@@H]32)c(C)c1[N+](=O)[O-] ZINC000915207794 620573723 /nfs/dbraw/zinc/57/37/23/620573723.db2.gz CCMOHICJNZBNCT-CQDKDKBSSA-N 1 1 306.410 3.266 20 5 DGBDMO CC1(C)CC[C@H](CO)[N@H+](Cc2cc(Cl)ccc2[N+](=O)[O-])C1 ZINC000856803601 621023551 /nfs/dbraw/zinc/02/35/51/621023551.db2.gz IEVOQNWEUVEMRM-CYBMUJFWSA-N 1 1 312.797 3.231 20 5 DGBDMO CC1(C)CC[C@H](CO)[N@@H+](Cc2cc(Cl)ccc2[N+](=O)[O-])C1 ZINC000856803601 621023554 /nfs/dbraw/zinc/02/35/54/621023554.db2.gz IEVOQNWEUVEMRM-CYBMUJFWSA-N 1 1 312.797 3.231 20 5 DGBDMO COc1cc(C)nc(C[NH2+][C@H](C)c2ccc([N+](=O)[O-])cc2)c1 ZINC000922538659 621052047 /nfs/dbraw/zinc/05/20/47/621052047.db2.gz VDMPXPSWQQBNAT-GFCCVEGCSA-N 1 1 301.346 3.158 20 5 DGBDMO O=[N+]([O-])c1ccccc1/C=C/C[NH2+][C@@H](c1ncccn1)C1CC1 ZINC000922581236 621060813 /nfs/dbraw/zinc/06/08/13/621060813.db2.gz SIAYYLUCEHIOAO-WUTVXBCWSA-N 1 1 310.357 3.139 20 5 DGBDMO COc1cc(F)c([N+](=O)[O-])c(NC[C@H]2CC[N@H+]2C2CCCC2)c1 ZINC000858779675 621220517 /nfs/dbraw/zinc/22/05/17/621220517.db2.gz BZEMUKFNQSUZHP-GFCCVEGCSA-N 1 1 323.368 3.171 20 5 DGBDMO CCO[C@H](C[N@H+](C)Cc1cc([N+](=O)[O-])ccc1Cl)C1CC1 ZINC000859168430 621256542 /nfs/dbraw/zinc/25/65/42/621256542.db2.gz ONARTKDRAYWMEL-OAHLLOKOSA-N 1 1 312.797 3.495 20 5 DGBDMO CCO[C@H](C[N@@H+](C)Cc1cc([N+](=O)[O-])ccc1Cl)C1CC1 ZINC000859168430 621256545 /nfs/dbraw/zinc/25/65/45/621256545.db2.gz ONARTKDRAYWMEL-OAHLLOKOSA-N 1 1 312.797 3.495 20 5 DGBDMO C[C@@H]1C[N@@H+](Cc2ccc([N+](=O)[O-])c(F)c2)C[C@H](C)C1(F)F ZINC000859415505 621275923 /nfs/dbraw/zinc/27/59/23/621275923.db2.gz QZQXFEVAAMZGNQ-AOOOYVTPSA-N 1 1 302.296 3.457 20 5 DGBDMO C[C@@H]1C[N@H+](Cc2ccc([N+](=O)[O-])c(F)c2)C[C@H](C)C1(F)F ZINC000859415505 621275925 /nfs/dbraw/zinc/27/59/25/621275925.db2.gz QZQXFEVAAMZGNQ-AOOOYVTPSA-N 1 1 302.296 3.457 20 5 DGBDMO C[C@H]1C[NH+](Cc2ccc([N+](=O)[O-])c(F)c2)C[C@H](C)C1(F)F ZINC000859415509 621276062 /nfs/dbraw/zinc/27/60/62/621276062.db2.gz QZQXFEVAAMZGNQ-UWVGGRQHSA-N 1 1 302.296 3.457 20 5 DGBDMO CC(C)c1[nH+]ccn1Cc1nnc(-c2ccccc2[N+](=O)[O-])o1 ZINC000865362056 621901878 /nfs/dbraw/zinc/90/18/78/621901878.db2.gz KQAZBPHHSNFNFV-UHFFFAOYSA-N 1 1 313.317 3.013 20 5 DGBDMO CCc1[nH+]c(C)cn1Cc1coc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000865393261 621908319 /nfs/dbraw/zinc/90/83/19/621908319.db2.gz OOTUNWARWILRGH-UHFFFAOYSA-N 1 1 312.329 3.365 20 5 DGBDMO C[N@H+]1CCCC[C@@H]1CCOC(=O)/C=C/c1ccc([N+](=O)[O-])cc1 ZINC000760126559 621916462 /nfs/dbraw/zinc/91/64/62/621916462.db2.gz NDAXKIIQOZCHFP-JOZWUWCOSA-N 1 1 318.373 3.026 20 5 DGBDMO CC[C@H]1C[C@@H](C)C[N@H+]1Cn1nc(C)c2ccc([N+](=O)[O-])cc21 ZINC000761290349 621999626 /nfs/dbraw/zinc/99/96/26/621999626.db2.gz IDOOPVHMBGARBI-YPMHNXCESA-N 1 1 302.378 3.331 20 5 DGBDMO Cc1nn(C[N@@H+]2CC3(CCC3)C[C@@H]2C)c2cc([N+](=O)[O-])ccc12 ZINC000762140499 622056337 /nfs/dbraw/zinc/05/63/37/622056337.db2.gz DVIIMPHTSQCQPG-LBPRGKRZSA-N 1 1 314.389 3.475 20 5 DGBDMO CC[C@H]1C[N@H+](Cn2nc(C)c3ccc([N+](=O)[O-])cc32)CCS1 ZINC000121230797 622163726 /nfs/dbraw/zinc/16/37/26/622163726.db2.gz DTJHUIWSGGYYLE-ZDUSSCGKSA-N 1 1 320.418 3.038 20 5 DGBDMO CC[C@H]1C[N@@H+](Cn2nc(C)c3ccc([N+](=O)[O-])cc32)CCS1 ZINC000121230797 622163731 /nfs/dbraw/zinc/16/37/31/622163731.db2.gz DTJHUIWSGGYYLE-ZDUSSCGKSA-N 1 1 320.418 3.038 20 5 DGBDMO Cc1ccc([N+](=O)[O-])cc1[C@H](C)NC[C@@H](C)[NH+]1CCCCC1 ZINC000765257469 622254405 /nfs/dbraw/zinc/25/44/05/622254405.db2.gz YKDKLRAQQKSICG-CABCVRRESA-N 1 1 305.422 3.428 20 5 DGBDMO C[C@H]1C[N@H+](Cn2cc(-c3ccc([N+](=O)[O-])cc3)cn2)CC[C@@H]1C ZINC000766380640 622325725 /nfs/dbraw/zinc/32/57/25/622325725.db2.gz KAYDNQINTLDDFQ-KBPBESRZSA-N 1 1 314.389 3.394 20 5 DGBDMO CCOc1ccc([C@@H](C)NCC[N@@H+]2CCC[C@H]2C)cc1[N+](=O)[O-] ZINC000768105050 622438715 /nfs/dbraw/zinc/43/87/15/622438715.db2.gz YYOXUCNUDLWTFN-ZIAGYGMSSA-N 1 1 321.421 3.128 20 5 DGBDMO CCOc1ccc([C@@H](C)NCC[N@H+]2CCC[C@H]2C)cc1[N+](=O)[O-] ZINC000768105050 622438717 /nfs/dbraw/zinc/43/87/17/622438717.db2.gz YYOXUCNUDLWTFN-ZIAGYGMSSA-N 1 1 321.421 3.128 20 5 DGBDMO O=C(C[N@@H+]1CCC2(CCC2)C1)Nc1ccc(Cl)c([N+](=O)[O-])c1 ZINC000123499209 622552484 /nfs/dbraw/zinc/55/24/84/622552484.db2.gz YXGICCPBRRJDIC-UHFFFAOYSA-N 1 1 323.780 3.063 20 5 DGBDMO O=C(C[N@H+]1CCC2(CCC2)C1)Nc1ccc(Cl)c([N+](=O)[O-])c1 ZINC000123499209 622552486 /nfs/dbraw/zinc/55/24/86/622552486.db2.gz YXGICCPBRRJDIC-UHFFFAOYSA-N 1 1 323.780 3.063 20 5 DGBDMO CCC[C@]1(CO)CCC[N@H+]1Cc1cc([N+](=O)[O-])ccc1Cl ZINC000769912575 622574869 /nfs/dbraw/zinc/57/48/69/622574869.db2.gz GKATUMKRAGGMAY-OAHLLOKOSA-N 1 1 312.797 3.375 20 5 DGBDMO C[C@@H]1CCC[N@H+]1CCNc1ccc([N+](=O)[O-])c2cccnc12 ZINC000771229133 622729527 /nfs/dbraw/zinc/72/95/27/622729527.db2.gz HILQKVLCRJVXAE-GFCCVEGCSA-N 1 1 300.362 3.039 20 5 DGBDMO C[C@H]([NH2+][C@@H]1CCCc2c1cnn2C)c1c(F)cccc1[N+](=O)[O-] ZINC000872020950 622756298 /nfs/dbraw/zinc/75/62/98/622756298.db2.gz LOBCTLSJQUACHE-GXFFZTMASA-N 1 1 318.352 3.196 20 5 DGBDMO C[C@H](N[C@@H]1CC[N@H+]2CCCC[C@H]12)c1c(F)cccc1[N+](=O)[O-] ZINC000872023861 622757119 /nfs/dbraw/zinc/75/71/19/622757119.db2.gz WIPFZAFYTSIFGF-IACUBPJLSA-N 1 1 307.369 3.011 20 5 DGBDMO CSc1ccc([N+](=O)[O-])cc1[C@@H](C)NC[C@H]1CCC[N@@H+](C)C1 ZINC000872036663 622766780 /nfs/dbraw/zinc/76/67/80/622766780.db2.gz UTSJMGJMNWRAOP-CHWSQXEVSA-N 1 1 323.462 3.309 20 5 DGBDMO CSc1ccc([N+](=O)[O-])cc1[C@@H](C)[NH2+]C[C@H]1CCCN(C)C1 ZINC000872036663 622766785 /nfs/dbraw/zinc/76/67/85/622766785.db2.gz UTSJMGJMNWRAOP-CHWSQXEVSA-N 1 1 323.462 3.309 20 5 DGBDMO Cc1ccc([C@@H](O)C[NH2+][C@H](C)c2c(F)cccc2[N+](=O)[O-])o1 ZINC000872039951 622768466 /nfs/dbraw/zinc/76/84/66/622768466.db2.gz WVBFYTURIPVRML-MFKMUULPSA-N 1 1 308.309 3.020 20 5 DGBDMO C[C@H](NC[C@@H]1CC[N@H+]1C1CCCC1)c1c(F)cccc1[N+](=O)[O-] ZINC000872089791 622799810 /nfs/dbraw/zinc/79/98/10/622799810.db2.gz FGSIXEFTDRVYQL-JSGCOSHPSA-N 1 1 321.396 3.401 20 5 DGBDMO C[C@H]([NH2+]C[C@@H]1CCN1C1CCCC1)c1c(F)cccc1[N+](=O)[O-] ZINC000872089791 622799814 /nfs/dbraw/zinc/79/98/14/622799814.db2.gz FGSIXEFTDRVYQL-JSGCOSHPSA-N 1 1 321.396 3.401 20 5 DGBDMO Cc1ccc(C)c([C@H]2CCC[N@@H+]2Cn2nccc2[N+](=O)[O-])c1 ZINC000124048615 622894278 /nfs/dbraw/zinc/89/42/78/622894278.db2.gz ONEXAUQHZNWNAR-OAHLLOKOSA-N 1 1 300.362 3.203 20 5 DGBDMO Cc1ccc(C)c([C@H]2CCC[N@H+]2Cn2nccc2[N+](=O)[O-])c1 ZINC000124048615 622894283 /nfs/dbraw/zinc/89/42/83/622894283.db2.gz ONEXAUQHZNWNAR-OAHLLOKOSA-N 1 1 300.362 3.203 20 5 DGBDMO COc1nc(C)cc(C)c1C[NH2+]Cc1cccc([N+](=O)[O-])c1C ZINC000873038917 623022845 /nfs/dbraw/zinc/02/28/45/623022845.db2.gz WKLLBGKVRPKRSU-UHFFFAOYSA-N 1 1 315.373 3.213 20 5 DGBDMO Cc1nccnc1[C@@H](C)[NH2+]Cc1ccc(Cl)c([N+](=O)[O-])c1 ZINC000873189931 623067676 /nfs/dbraw/zinc/06/76/76/623067676.db2.gz UHHDDTHDPVQAOT-SNVBAGLBSA-N 1 1 306.753 3.197 20 5 DGBDMO Cc1[nH+]ccn1-c1ncccc1CNc1ccc([N+](=O)[O-])c(C)c1 ZINC000774536911 623158309 /nfs/dbraw/zinc/15/83/09/623158309.db2.gz PBSPNQNOPUFPHK-UHFFFAOYSA-N 1 1 323.356 3.404 20 5 DGBDMO C[N@H+](Cc1ccc([N+](=O)[O-])cc1[N+](=O)[O-])C[C@H]1CC=CCC1 ZINC000775060344 623223440 /nfs/dbraw/zinc/22/34/40/623223440.db2.gz JCERKKUMYPSYKY-LBPRGKRZSA-N 1 1 305.334 3.291 20 5 DGBDMO C[C@H](c1ccccc1)[N@@H+](C)C[C@H](O)c1ccc([N+](=O)[O-])cc1 ZINC000776271125 623404967 /nfs/dbraw/zinc/40/49/67/623404967.db2.gz HYLSPYYLBVMUOQ-DYVFJYSZSA-N 1 1 300.358 3.321 20 5 DGBDMO C[C@@H](c1ccccc1F)[N@@H+](C)C[C@H](O)c1ccc([N+](=O)[O-])cc1 ZINC000776273775 623405105 /nfs/dbraw/zinc/40/51/05/623405105.db2.gz AJIJSNIZSJVZFQ-SJCJKPOMSA-N 1 1 318.348 3.460 20 5 DGBDMO C[N@H+](Cc1cccc(Cl)c1)C[C@@H](O)c1ccc([N+](=O)[O-])cc1 ZINC000776272430 623405135 /nfs/dbraw/zinc/40/51/35/623405135.db2.gz SUDQTNDFDDLZHB-MRXNPFEDSA-N 1 1 320.776 3.414 20 5 DGBDMO O=[N+]([O-])c1ccc([C@@H](O)C[N@H+]2CCC[C@H]2C2CCCC2)cc1 ZINC000776276881 623405879 /nfs/dbraw/zinc/40/58/79/623405879.db2.gz KYVYKQIDGKMLMI-IRXDYDNUSA-N 1 1 304.390 3.283 20 5 DGBDMO O=[N+]([O-])c1ccc([C@H](O)C[N@H+]2CCC[C@@H]2C2CCCC2)cc1 ZINC000776276880 623406096 /nfs/dbraw/zinc/40/60/96/623406096.db2.gz KYVYKQIDGKMLMI-IAGOWNOFSA-N 1 1 304.390 3.283 20 5 DGBDMO C[N@@H+](CCOc1cc(F)ccc1[N+](=O)[O-])Cc1ccc(F)cc1 ZINC000776414578 623427061 /nfs/dbraw/zinc/42/70/61/623427061.db2.gz JHDSSWBFSWMCPJ-UHFFFAOYSA-N 1 1 322.311 3.384 20 5 DGBDMO O=[N+]([O-])c1ccc(F)cc1C[N@H+]1CCC[C@H]1C1CCOCC1 ZINC000777739968 623563799 /nfs/dbraw/zinc/56/37/99/623563799.db2.gz SXHBJMAVWBGPOV-HNNXBMFYSA-N 1 1 308.353 3.125 20 5 DGBDMO CC[C@@H](C)C[N@@H+](C)Cn1cc(-c2cccc([N+](=O)[O-])c2)cn1 ZINC000777955573 623590007 /nfs/dbraw/zinc/59/00/07/623590007.db2.gz PHWDJVDJUMYCIW-CYBMUJFWSA-N 1 1 302.378 3.394 20 5 DGBDMO O=[N+]([O-])c1cnn(C[N@@H+]2CCC[C@@H](c3ccc(F)cc3)CC2)c1 ZINC000777969740 623593444 /nfs/dbraw/zinc/59/34/44/623593444.db2.gz KXJSBERNZHMEJL-CYBMUJFWSA-N 1 1 318.352 3.158 20 5 DGBDMO O=[N+]([O-])c1cnn(C[N@H+]2CCC[C@@H](c3ccc(F)cc3)CC2)c1 ZINC000777969740 623593447 /nfs/dbraw/zinc/59/34/47/623593447.db2.gz KXJSBERNZHMEJL-CYBMUJFWSA-N 1 1 318.352 3.158 20 5 DGBDMO CC(C)[N@H+](Cc1ccc([N+](=O)[O-])cc1)Cc1ccc(Cl)nn1 ZINC000876582020 623650458 /nfs/dbraw/zinc/65/04/58/623650458.db2.gz HZCYCSWQENGZCL-UHFFFAOYSA-N 1 1 320.780 3.449 20 5 DGBDMO CC(C)[N@@H+](Cc1ccc([N+](=O)[O-])cc1)Cc1ccc(Cl)nn1 ZINC000876582020 623650460 /nfs/dbraw/zinc/65/04/60/623650460.db2.gz HZCYCSWQENGZCL-UHFFFAOYSA-N 1 1 320.780 3.449 20 5 DGBDMO COc1cnc(F)c(C[NH2+][C@@H](C)c2ccc(C)c([N+](=O)[O-])c2)c1 ZINC000877073044 623784300 /nfs/dbraw/zinc/78/43/00/623784300.db2.gz AWXWGTNIYUWXSP-NSHDSACASA-N 1 1 319.336 3.297 20 5 DGBDMO CCC1CCC([N@@H+](Cn2cc([N+](=O)[O-])c(C)n2)C2CC2)CC1 ZINC000779859957 623823419 /nfs/dbraw/zinc/82/34/19/623823419.db2.gz QJSSSVMRAWDGHO-UHFFFAOYSA-N 1 1 306.410 3.490 20 5 DGBDMO Cn1ccnc1[C@H]([NH2+]CCC1CCC1)c1ccc([N+](=O)[O-])cc1 ZINC000780765476 623981575 /nfs/dbraw/zinc/98/15/75/623981575.db2.gz DAQGQKVXJMFYNM-MRXNPFEDSA-N 1 1 314.389 3.198 20 5 DGBDMO CCOc1ccc([N+](=O)[O-])cc1C[N@H+]1CC[C@@H]2CSC[C@H]2C1 ZINC000877741363 624013369 /nfs/dbraw/zinc/01/33/69/624013369.db2.gz VJDNVYISEDWYPF-TZMCWYRMSA-N 1 1 322.430 3.178 20 5 DGBDMO CC(C)(O)[C@H]1CCC[N@@H+](Cc2ccc([N+](=O)[O-])c(Cl)c2)C1 ZINC000877796761 624037663 /nfs/dbraw/zinc/03/76/63/624037663.db2.gz LTWLGGGXZYFKSN-LBPRGKRZSA-N 1 1 312.797 3.231 20 5 DGBDMO C[C@H]1CC[C@@]2(CC[N@@H+](Cn3ncc4ccc([N+](=O)[O-])cc43)C2)C1 ZINC000781586655 624098765 /nfs/dbraw/zinc/09/87/65/624098765.db2.gz NBFZNSYTFSMMSQ-SUMWQHHRSA-N 1 1 314.389 3.414 20 5 DGBDMO CC[C@@]1(C)CC[N@@H+](Cc2nnc(-c3ccccc3[N+](=O)[O-])o2)C1 ZINC000878188373 624206917 /nfs/dbraw/zinc/20/69/17/624206917.db2.gz OQLOSJHVXCLICP-INIZCTEOSA-N 1 1 316.361 3.267 20 5 DGBDMO CC[C@H]1CC[C@H](C)[N@H+]1Cc1nnc(-c2ccccc2[N+](=O)[O-])o1 ZINC000878341028 624249782 /nfs/dbraw/zinc/24/97/82/624249782.db2.gz RGUSUMGFFTXKHZ-RYUDHWBXSA-N 1 1 316.361 3.408 20 5 DGBDMO C[C@H]1CCCCC[N@H+]1CCC(=O)Nc1cc([N+](=O)[O-])ccc1F ZINC000782501876 624257322 /nfs/dbraw/zinc/25/73/22/624257322.db2.gz SHPMXIVYRMOBDE-LBPRGKRZSA-N 1 1 323.368 3.327 20 5 DGBDMO CC[C@@H]1C[C@@H](C)C[N@H+]1CCC(=O)Nc1cc([N+](=O)[O-])ccc1F ZINC000782502701 624257384 /nfs/dbraw/zinc/25/73/84/624257384.db2.gz FPCHKYIUKQOSDA-VXGBXAGGSA-N 1 1 323.368 3.183 20 5 DGBDMO CC[C@@]1(C)CC[N@@H+](CCC(=O)Nc2cc([N+](=O)[O-])ccc2F)C1 ZINC000782511216 624257894 /nfs/dbraw/zinc/25/78/94/624257894.db2.gz PYBLYBQIJHIAFC-INIZCTEOSA-N 1 1 323.368 3.185 20 5 DGBDMO Cc1nn(C[N@@H+]2C[C@@H](c3ccc(C)cc3)C[C@H]2C)cc1[N+](=O)[O-] ZINC000782957633 624294846 /nfs/dbraw/zinc/29/48/46/624294846.db2.gz XTXCBCUAXWLJEN-CJNGLKHVSA-N 1 1 314.389 3.244 20 5 DGBDMO Cc1c(NC(=O)CC[N@@H+]2CCC=C(Cl)C2)cccc1[N+](=O)[O-] ZINC000878792915 624361086 /nfs/dbraw/zinc/36/10/86/624361086.db2.gz WEDJGIQOCBCYEV-UHFFFAOYSA-N 1 1 323.780 3.060 20 5 DGBDMO Cc1c(NC(=O)CC[N@H+]2CCC=C(Cl)C2)cccc1[N+](=O)[O-] ZINC000878792915 624361090 /nfs/dbraw/zinc/36/10/90/624361090.db2.gz WEDJGIQOCBCYEV-UHFFFAOYSA-N 1 1 323.780 3.060 20 5 DGBDMO O=[N+]([O-])c1ccc(C[N@H+]2CCC[C@H](c3cc[nH]n3)C2)cc1Cl ZINC000783535945 624363576 /nfs/dbraw/zinc/36/35/76/624363576.db2.gz YTGRJBVMEKQYDL-LBPRGKRZSA-N 1 1 320.780 3.351 20 5 DGBDMO C[C@H](OC(=O)[C@H](C)[N@@H+]1[C@H](C)CC[C@@H]1C)c1ccccc1[N+](=O)[O-] ZINC000783776785 624395355 /nfs/dbraw/zinc/39/53/55/624395355.db2.gz MOQPKQHMYBLNAR-CRWXNKLISA-N 1 1 320.389 3.460 20 5 DGBDMO C[C@H]1C[N@@H+](Cn2ncc3ccc([N+](=O)[O-])cc32)CC(C)(C)C1 ZINC000784005896 624419795 /nfs/dbraw/zinc/41/97/95/624419795.db2.gz BLDVRZFAIWSOIF-GFCCVEGCSA-N 1 1 302.378 3.270 20 5 DGBDMO C[N@@H+](C[C@H]1CC=CCC1)Cn1ncc2ccc([N+](=O)[O-])cc21 ZINC000784013760 624421284 /nfs/dbraw/zinc/42/12/84/624421284.db2.gz LASFTTIJWOMWNB-ZDUSSCGKSA-N 1 1 300.362 3.190 20 5 DGBDMO C[C@H](c1ccccc1[N+](=O)[O-])[N@H+]1CCC[C@@H](C2(C)OCCO2)C1 ZINC000784579616 624551763 /nfs/dbraw/zinc/55/17/63/624551763.db2.gz WQWRLAARNBPYSL-ZIAGYGMSSA-N 1 1 320.389 3.131 20 5 DGBDMO COc1cc(C[N@@H+]2C[C@@H]3CC=CC[C@@H]3C2)c([N+](=O)[O-])cc1F ZINC000879530010 624578440 /nfs/dbraw/zinc/57/84/40/624578440.db2.gz JDZDNWCEYHSJQS-TXEJJXNPSA-N 1 1 306.337 3.141 20 5 DGBDMO C[C@@H](O)[C@@H]1C[C@H](C)CC[N@H+]1Cc1ccc(Cl)c([N+](=O)[O-])c1 ZINC000785540504 624682931 /nfs/dbraw/zinc/68/29/31/624682931.db2.gz KSYFSXXRHOCKMB-GYSYKLTISA-N 1 1 312.797 3.230 20 5 DGBDMO C[C@H](OC(=O)C[NH+]1[C@@H](C)CC[C@@H]1C)c1ccccc1[N+](=O)[O-] ZINC000785733199 624719818 /nfs/dbraw/zinc/71/98/18/624719818.db2.gz OJVDERSYUVDYDJ-AVGNSLFASA-N 1 1 306.362 3.072 20 5 DGBDMO Cc1csc([C@H]2CC[N@@H+](Cc3ccc([N+](=O)[O-])c(F)c3)C2)n1 ZINC000880011201 624752488 /nfs/dbraw/zinc/75/24/88/624752488.db2.gz IQXWZBVIPMDUGH-LBPRGKRZSA-N 1 1 321.377 3.488 20 5 DGBDMO COC(=O)[C@]12CCC[C@H]1[N@H+]([C@H](C)c1cccc([N+](=O)[O-])c1)CC2 ZINC000880179783 624822605 /nfs/dbraw/zinc/82/26/05/624822605.db2.gz PUVPHMCWTRZVFD-VMGRFDJRSA-N 1 1 318.373 3.073 20 5 DGBDMO CO[C@@]1(C(F)(F)F)CC[N@@H+]([C@H](C)c2cccc([N+](=O)[O-])c2)C1 ZINC000880301852 624902123 /nfs/dbraw/zinc/90/21/23/624902123.db2.gz AEDXGZDCKIJSNG-MFKMUULPSA-N 1 1 318.295 3.309 20 5 DGBDMO CO[C@@]1(C(F)(F)F)CC[N@H+]([C@H](C)c2cccc([N+](=O)[O-])c2)C1 ZINC000880301852 624902126 /nfs/dbraw/zinc/90/21/26/624902126.db2.gz AEDXGZDCKIJSNG-MFKMUULPSA-N 1 1 318.295 3.309 20 5 DGBDMO O=[N+]([O-])c1cccc(F)c1C[N@@H+]1CC[C@H](c2nccs2)C1 ZINC000880316573 624912129 /nfs/dbraw/zinc/91/21/29/624912129.db2.gz HUPJWCPWSBBIRE-JTQLQIEISA-N 1 1 307.350 3.180 20 5 DGBDMO O=[N+]([O-])c1cccc(F)c1C[N@H+]1CC[C@H](c2nccs2)C1 ZINC000880316573 624912130 /nfs/dbraw/zinc/91/21/30/624912130.db2.gz HUPJWCPWSBBIRE-JTQLQIEISA-N 1 1 307.350 3.180 20 5 DGBDMO C[C@@H]1c2sccc2CC[N@@H+]1C[C@@H](O)c1ccc([N+](=O)[O-])cc1 ZINC000880377072 624943546 /nfs/dbraw/zinc/94/35/46/624943546.db2.gz NCKOTICJXLEKTN-IAQYHMDHSA-N 1 1 318.398 3.309 20 5 DGBDMO CCC(CC)[C@H](CN[C@H](C)c1ccc(N)c([N+](=O)[O-])c1)[NH+](C)C ZINC000788521654 625205963 /nfs/dbraw/zinc/20/59/63/625205963.db2.gz WBJHHLVCHHWJPO-PXAZEXFGSA-N 1 1 322.453 3.194 20 5 DGBDMO CC[C@H]1CCCC[N@H+]1CCN[C@H](C)c1ccc(N)c([N+](=O)[O-])c1 ZINC000788613415 625229795 /nfs/dbraw/zinc/22/97/95/625229795.db2.gz WQMISGCCHDYWRQ-HIFRSBDPSA-N 1 1 320.437 3.092 20 5 DGBDMO CC[C@H]1CCCCN1CC[NH2+][C@H](C)c1ccc(N)c([N+](=O)[O-])c1 ZINC000788613415 625229798 /nfs/dbraw/zinc/22/97/98/625229798.db2.gz WQMISGCCHDYWRQ-HIFRSBDPSA-N 1 1 320.437 3.092 20 5 DGBDMO COCC[N@@H+](Cc1cc(F)ccc1[N+](=O)[O-])[C@H]1CC[C@H](C)C1 ZINC000792464060 625947167 /nfs/dbraw/zinc/94/71/67/625947167.db2.gz KRSDHLJWRVBOOQ-WFASDCNBSA-N 1 1 310.369 3.371 20 5 DGBDMO COCC[N@@H+](Cc1cc(F)ccc1[N+](=O)[O-])[C@@H]1CC[C@@H](C)C1 ZINC000792464054 625947729 /nfs/dbraw/zinc/94/77/29/625947729.db2.gz KRSDHLJWRVBOOQ-IUODEOHRSA-N 1 1 310.369 3.371 20 5 DGBDMO Cc1ccc(OCC[N@H+](C)CCc2ccccc2[N+](=O)[O-])cc1 ZINC000796112288 626023134 /nfs/dbraw/zinc/02/31/34/626023134.db2.gz IZBJZSGVXKFKTA-UHFFFAOYSA-N 1 1 314.385 3.457 20 5 DGBDMO CC(C)(C)[C@@H]1CCC[N@@H+](C[C@@H](O)c2ccc([N+](=O)[O-])cc2)C1 ZINC000796575262 626063156 /nfs/dbraw/zinc/06/31/56/626063156.db2.gz LMHWOTLRWXRRMY-GDBMZVCRSA-N 1 1 306.406 3.386 20 5 DGBDMO Cc1cc([N+](=O)[O-])cc(C(=O)OCC[C@H]2CCCC[N@@H+]2C)c1F ZINC000803461536 626616851 /nfs/dbraw/zinc/61/68/51/626616851.db2.gz ZDTLHBGCOXSKKP-GFCCVEGCSA-N 1 1 324.352 3.074 20 5 DGBDMO CN(C)C[C@@](C)(O)C[NH2+]Cc1c2ccccc2cc2ccccc21 ZINC000131373788 626632468 /nfs/dbraw/zinc/63/24/68/626632468.db2.gz WWFBUZOPVOGWHF-NRFANRHFSA-N 1 1 322.452 3.395 20 5 DGBDMO 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C[C@H](c1ncccn1)[N@H+]1CCC[C@H](c2ccc([N+](=O)[O-])cc2)C1 ZINC000930637034 661417703 /nfs/dbraw/zinc/41/77/03/661417703.db2.gz KDBSUMHSYBCPEW-HIFRSBDPSA-N 1 1 312.373 3.325 20 5 DGBDMO O=[N+]([O-])c1ccccc1C[N@H+]1CC[C@@]2(CC(F)(F)C2(F)F)C1 ZINC000931911513 661520860 /nfs/dbraw/zinc/52/08/60/661520860.db2.gz NUISMASJLVNRCG-GFCCVEGCSA-N 1 1 318.270 3.461 20 5 DGBDMO CC[C@@H]([NH2+]Cc1cccnc1[N+](=O)[O-])c1cc(F)ccc1OC ZINC000932470990 661572261 /nfs/dbraw/zinc/57/22/61/661572261.db2.gz CXURRHUIGLJQPD-CQSZACIVSA-N 1 1 319.336 3.378 20 5 DGBDMO O=[N+]([O-])c1cccc(F)c1C[N@H+]1CCC[C@H](C2CCOCC2)C1 ZINC000933076154 661615875 /nfs/dbraw/zinc/61/58/75/661615875.db2.gz FQLYFOGWJQDGNR-AWEZNQCLSA-N 1 1 322.380 3.373 20 5 DGBDMO O=[N+]([O-])c1cc(C[N@@H+]2CC[C@@H](Cc3nccs3)C2)cs1 ZINC000934335970 661698942 /nfs/dbraw/zinc/69/89/42/661698942.db2.gz VYHJITMZZKUHPG-JTQLQIEISA-N 1 1 309.416 3.177 20 5 DGBDMO O=[N+]([O-])c1cc(C[N@H+]2CC[C@@H](Cc3nccs3)C2)cs1 ZINC000934335970 661698944 /nfs/dbraw/zinc/69/89/44/661698944.db2.gz VYHJITMZZKUHPG-JTQLQIEISA-N 1 1 309.416 3.177 20 5 DGBDMO C[C@H](c1ccccc1[N+](=O)[O-])[N@@H+]1Cc2c[nH]nc2C[C@H](C)C1 ZINC001620582758 1192009910 /nfs/dbraw/zinc/00/99/10/1192009910.db2.gz QZZJHTVTEWCSOE-NWDGAFQWSA-N 1 1 300.362 3.073 20 5 DGBDMO Cc1ccc([N+](=O)[O-])cc1[C@H](C)[N@H+]1CC[C@](CO)(C(C)C)C1 ZINC000351937470 1178053872 /nfs/dbraw/zinc/05/38/72/1178053872.db2.gz ODAJLYIJNNKNTN-YOEHRIQHSA-N 1 1 306.406 3.305 20 5 DGBDMO CS[C@@H]1CC[C@H]([N@@H+](C)Cc2nc3cc([N+](=O)[O-])ccc3o2)C1 ZINC001332958141 1178529346 /nfs/dbraw/zinc/52/93/46/1178529346.db2.gz HFZPLPYTBDYHGQ-CMPLNLGQSA-N 1 1 321.402 3.452 20 5 DGBDMO O=[N+]([O-])c1cnc(NC[C@H]2CC[N@H+](C3CC3)C2)c2ccccc21 ZINC001333861617 1178686087 /nfs/dbraw/zinc/68/60/87/1178686087.db2.gz TWYWPSWJKVBGPO-GFCCVEGCSA-N 1 1 312.373 3.039 20 5 DGBDMO COc1c(O)ccc(CNc2cccc(C3CC3)[nH+]2)c1[N+](=O)[O-] ZINC001334288091 1178744293 /nfs/dbraw/zinc/74/42/93/1178744293.db2.gz WCXNZVHYKIFNJW-UHFFFAOYSA-N 1 1 315.329 3.194 20 5 DGBDMO Cn1cc(C[NH2+]Cc2cc([N+](=O)[O-])ccc2Cl)c(C2CC2)n1 ZINC001334981782 1178837749 /nfs/dbraw/zinc/83/77/49/1178837749.db2.gz FVNZMGWRQRAQDA-UHFFFAOYSA-N 1 1 320.780 3.149 20 5 DGBDMO COc1c(O)ccc(C[N@H+]2CC3(CCC3)C[C@H]2C)c1[N+](=O)[O-] ZINC001343057867 1179230756 /nfs/dbraw/zinc/23/07/56/1179230756.db2.gz JVRZAHRINPUYFM-LLVKDONJSA-N 1 1 306.362 3.074 20 5 DGBDMO O=[N+]([O-])c1ccc2[nH]c(C[N@H+]3CC[C@H]4CCCC[C@H]4C3)nc2c1 ZINC001343794343 1179332523 /nfs/dbraw/zinc/33/25/23/1179332523.db2.gz FXRVJKVPDLIGGZ-OLZOCXBDSA-N 1 1 314.389 3.483 20 5 DGBDMO Cn1c[nH+]cc1CCNc1cc(C(F)(F)F)ccc1[N+](=O)[O-] ZINC001353202012 1180493184 /nfs/dbraw/zinc/49/31/84/1180493184.db2.gz WRAYXODAMZCOAR-UHFFFAOYSA-N 1 1 314.267 3.002 20 5 DGBDMO Cc1ccc([N+](=O)[O-])c(N2CC([N@@H+](C)Cc3ccccc3)C2)c1 ZINC001458368980 1182518828 /nfs/dbraw/zinc/51/88/28/1182518828.db2.gz QTAZPCKCKIGQRZ-UHFFFAOYSA-N 1 1 311.385 3.224 20 5 DGBDMO CCC[C@H]1CCC[N@@H+](CCOc2ccc(OC)cc2[N+](=O)[O-])C1 ZINC001459745017 1182612300 /nfs/dbraw/zinc/61/23/00/1182612300.db2.gz VULNNQAELWSNCC-AWEZNQCLSA-N 1 1 322.405 3.494 20 5 DGBDMO CCC[N@H+]1CCC[C@H]1CNCc1ccc(Cl)cc1[N+](=O)[O-] ZINC001462217352 1182925299 /nfs/dbraw/zinc/92/52/99/1182925299.db2.gz FTUFDVMCZRRAEG-AWEZNQCLSA-N 1 1 311.813 3.212 20 5 DGBDMO CCCN1CCC[C@H]1C[NH2+]Cc1ccc(Cl)cc1[N+](=O)[O-] ZINC001462217352 1182925304 /nfs/dbraw/zinc/92/53/04/1182925304.db2.gz FTUFDVMCZRRAEG-AWEZNQCLSA-N 1 1 311.813 3.212 20 5 DGBDMO CCCC[N@@H+](C)C[C@H](C)Nc1c(F)cc([N+](=O)[O-])cc1F ZINC001472797413 1183682455 /nfs/dbraw/zinc/68/24/55/1183682455.db2.gz BSUKYLWIPCIOGC-JTQLQIEISA-N 1 1 301.337 3.405 20 5 DGBDMO C[C@@]1(Cc2ccc(Cl)c(F)c2)CCC[N@H+]1CC[N+](=O)[O-] ZINC001473722662 1183792886 /nfs/dbraw/zinc/79/28/86/1183792886.db2.gz LGSWUJZZSIIJNI-AWEZNQCLSA-N 1 1 300.761 3.153 20 5 DGBDMO CCCC1(CCC)CCC[N@H+]1CCn1cc([N+](=O)[O-])ccc1=O ZINC001473768990 1183799838 /nfs/dbraw/zinc/79/98/38/1183799838.db2.gz LIRVQNVQVSCCKX-UHFFFAOYSA-N 1 1 321.421 3.191 20 5 DGBDMO CC(C)(C)OC[C@H]1CCC[N@H+]1CCc1ccc([N+](=O)[O-])cc1 ZINC001473782691 1183800920 /nfs/dbraw/zinc/80/09/20/1183800920.db2.gz ZPEDBWHATRWOQB-MRXNPFEDSA-N 1 1 306.406 3.417 20 5 DGBDMO O=[N+]([O-])c1ccc(Cl)c(C[N@@H+]2CC[C@H](c3cnccn3)C2)c1 ZINC001473833589 1183808905 /nfs/dbraw/zinc/80/89/05/1183808905.db2.gz MPNDRFLNKCOIDN-NSHDSACASA-N 1 1 318.764 3.028 20 5 DGBDMO O=[N+]([O-])c1ccc(Cl)c(C[N@H+]2CC[C@H](c3cnccn3)C2)c1 ZINC001473833589 1183808908 /nfs/dbraw/zinc/80/89/08/1183808908.db2.gz MPNDRFLNKCOIDN-NSHDSACASA-N 1 1 318.764 3.028 20 5 DGBDMO O=[N+]([O-])c1ccc(CC[N@H+]2CCCC[C@@]23CCCOC3)cc1 ZINC001473900354 1183822483 /nfs/dbraw/zinc/82/24/83/1183822483.db2.gz ABAVEWFODQGUCV-KRWDZBQOSA-N 1 1 304.390 3.172 20 5 DGBDMO C[N@H+](Cc1ccc2nccnc2c1)Cc1ccccc1[N+](=O)[O-] ZINC001474337327 1183906324 /nfs/dbraw/zinc/90/63/24/1183906324.db2.gz MZDZAPWTRUHESN-UHFFFAOYSA-N 1 1 308.341 3.170 20 5 DGBDMO C[N@@H+](Cc1ccc2nccnc2c1)Cc1ccccc1[N+](=O)[O-] ZINC001474337327 1183906327 /nfs/dbraw/zinc/90/63/27/1183906327.db2.gz MZDZAPWTRUHESN-UHFFFAOYSA-N 1 1 308.341 3.170 20 5 DGBDMO CC[C@H]1CCC[N@H+]([C@@H](C)C(=O)Nc2cccc([N+](=O)[O-])c2)CC1 ZINC001615497091 1193523129 /nfs/dbraw/zinc/52/31/29/1193523129.db2.gz STININYLLJNGTA-KBPBESRZSA-N 1 1 319.405 3.434 20 5 DGBDMO C[N@@H+](CCC(=O)Nc1ccc([N+](=O)[O-])cc1)[C@@H]1CCC(C)(C)C1 ZINC001617687888 1193578093 /nfs/dbraw/zinc/57/80/93/1193578093.db2.gz VNHCGRJSOWMLQE-OAHLLOKOSA-N 1 1 319.405 3.434 20 5 DGBDMO CN(C)c1cc[nH+]c(CNc2cc(Cl)ccc2[N+](=O)[O-])c1 ZINC001559280587 1189191469 /nfs/dbraw/zinc/19/14/69/1189191469.db2.gz MGUYCZWXGSCEBN-UHFFFAOYSA-N 1 1 306.753 3.321 20 5 DGBDMO CC[C@@H]1CC[N@@H+]([C@@H](C)C(=O)Nc2cccc([N+](=O)[O-])c2)[C@@H]1C ZINC001559768529 1189240764 /nfs/dbraw/zinc/24/07/64/1189240764.db2.gz GTRQVJDYFXDQEU-FRRDWIJNSA-N 1 1 305.378 3.042 20 5 DGBDMO CO[C@H]1C[C@H]([N@@H+](C)Cc2ccc(C)c([N+](=O)[O-])c2)C12CCC2 ZINC001559839893 1189247713 /nfs/dbraw/zinc/24/77/13/1189247713.db2.gz QSMMFVCPXDNCOW-HOTGVXAUSA-N 1 1 304.390 3.293 20 5 DGBDMO Cc1ccc(CN2CC[N@H+](C3CCC3)C[C@@H](C)C2)cc1[N+](=O)[O-] ZINC001559856780 1189251599 /nfs/dbraw/zinc/25/15/99/1189251599.db2.gz KRHUBJPLBLSVAQ-AWEZNQCLSA-N 1 1 317.433 3.209 20 5 DGBDMO O=[N+]([O-])c1cc(C[N@@H+]2CC[C@H](c3ncccn3)C2)ccc1Cl ZINC001560177949 1189287973 /nfs/dbraw/zinc/28/79/73/1189287973.db2.gz JORCYVWLNCFZTD-LBPRGKRZSA-N 1 1 318.764 3.028 20 5 DGBDMO O=[N+]([O-])c1cc(C[N@H+]2CC[C@H](c3ncccn3)C2)ccc1Cl ZINC001560177949 1189287976 /nfs/dbraw/zinc/28/79/76/1189287976.db2.gz JORCYVWLNCFZTD-LBPRGKRZSA-N 1 1 318.764 3.028 20 5 DGBDMO Cc1cc(C[NH+]2CCN(c3ccc([N+](=O)[O-])cc3)CC2)cs1 ZINC001560721219 1189368214 /nfs/dbraw/zinc/36/82/14/1189368214.db2.gz AREJCHFXUOTVMA-UHFFFAOYSA-N 1 1 317.414 3.287 20 5 DGBDMO C[N@@H+](CCc1ccccc1[N+](=O)[O-])Cc1cccn1C(F)F ZINC001560825509 1189388219 /nfs/dbraw/zinc/38/82/19/1189388219.db2.gz NZBNKJPDXFBHMD-UHFFFAOYSA-N 1 1 309.316 3.466 20 5 DGBDMO CC(C)COCC[N@H+]1CCC[C@H](c2ccc([N+](=O)[O-])cc2)C1 ZINC001618029115 1193722683 /nfs/dbraw/zinc/72/26/83/1193722683.db2.gz YYHNMEFZYHAQSZ-INIZCTEOSA-N 1 1 306.406 3.447 20 5 DGBDMO COc1ccc([N+](=O)[O-])cc1C[N@H+]1CCCC[C@@H]1[C@H]1CCCO1 ZINC001620669710 1193789219 /nfs/dbraw/zinc/78/92/19/1193789219.db2.gz YECGLULGISIUOH-NVXWUHKLSA-N 1 1 320.389 3.137 20 5 DGBDMO C[C@@H]([NH2+]Cc1cn2cccc(F)c2n1)c1cccc([N+](=O)[O-])c1 ZINC001620728195 1193795507 /nfs/dbraw/zinc/79/55/07/1193795507.db2.gz HOHZZEDVAKKQHT-LLVKDONJSA-N 1 1 314.320 3.232 20 5 DGBDMO CCC[N@@H+](Cc1cccnc1[N+](=O)[O-])[C@H]1C[C@@H](OCC)C1(C)C ZINC001641817403 1194872738 /nfs/dbraw/zinc/87/27/38/1194872738.db2.gz UILYUTNDQZMFQJ-LSDHHAIUSA-N 1 1 321.421 3.405 20 5 DGBDMO CCCC1CC[NH+]([C@H](C)C(=O)Nc2cccc([N+](=O)[O-])c2)CC1 ZINC001641929183 1194878994 /nfs/dbraw/zinc/87/89/94/1194878994.db2.gz OBLDIDJUEHQLCY-CYBMUJFWSA-N 1 1 319.405 3.434 20 5 DGBDMO C[C@@H](CNc1nc2cc([N+](=O)[O-])ccc2[nH]1)[N@H+]1CCCC[C@@H]1C ZINC001642072601 1194886439 /nfs/dbraw/zinc/88/64/39/1194886439.db2.gz JQXOLDCHKUWGIG-RYUDHWBXSA-N 1 1 317.393 3.146 20 5 DGBDMO Cc1ccc(NC[C@H]2CCC[N@@H+](CC3CC3)C2)c([N+](=O)[O-])c1 ZINC001642994473 1194958885 /nfs/dbraw/zinc/95/88/85/1194958885.db2.gz XGCSXZIERRRADL-OAHLLOKOSA-N 1 1 303.406 3.437 20 5 DGBDMO C[C@H]1[C@H](Nc2c(Cl)c(Cl)ccc2[N+](=O)[O-])CC[N@H+]1C ZINC001643203416 1195002587 /nfs/dbraw/zinc/00/25/87/1195002587.db2.gz SSAVHYXZMMUWLT-IONNQARKSA-N 1 1 304.177 3.406 20 5 DGBDMO C[N@H+]1CCCC[C@H]1CNc1nccc2c1cccc2[N+](=O)[O-] ZINC001643275194 1195010612 /nfs/dbraw/zinc/01/06/12/1195010612.db2.gz WZACCEBOGATNJC-LBPRGKRZSA-N 1 1 300.362 3.039 20 5 DGBDMO Cc1ncc([N+](=O)[O-])n1CC[N@H+](C)[C@H](C)c1ccc(C)cc1C ZINC001644394370 1195105475 /nfs/dbraw/zinc/10/54/75/1195105475.db2.gz AFKJIEFUOUOWLC-CQSZACIVSA-N 1 1 316.405 3.410 20 5 DGBDMO CCC1(CC)CCC[N@H+](CC(=O)Nc2ccccc2[N+](=O)[O-])C1 ZINC001647755239 1195251949 /nfs/dbraw/zinc/25/19/49/1195251949.db2.gz WMGWSAMRIKVAAL-UHFFFAOYSA-N 1 1 319.405 3.436 20 5 DGBDMO CCC1(CC)CCC[N@@H+](CC(=O)Nc2ccccc2[N+](=O)[O-])C1 ZINC001647755239 1195251955 /nfs/dbraw/zinc/25/19/55/1195251955.db2.gz WMGWSAMRIKVAAL-UHFFFAOYSA-N 1 1 319.405 3.436 20 5 DGBDMO CCC1(CC)CCC[N@H+]1CC(=O)Nc1cc([N+](=O)[O-])ccc1C ZINC001648231391 1195285157 /nfs/dbraw/zinc/28/51/57/1195285157.db2.gz YSMBRUIBMSJBID-UHFFFAOYSA-N 1 1 319.405 3.496 20 5 DGBDMO COc1cc([N+](=O)[O-])ccc1C[N@H+]1CCC[C@H]1COC(C)(C)C ZINC001648269545 1195288279 /nfs/dbraw/zinc/28/82/79/1195288279.db2.gz BNPUZABQNLCXEW-HNNXBMFYSA-N 1 1 322.405 3.383 20 5 DGBDMO CCCC[N@H+]1CCCC[C@H]1CNc1ncc([N+](=O)[O-])cc1F ZINC001650697794 1195372604 /nfs/dbraw/zinc/37/26/04/1195372604.db2.gz YIXZZSLGBVMJBK-LBPRGKRZSA-N 1 1 310.373 3.195 20 5 DGBDMO Cc1cc(F)ncc1C[NH2+]Cc1cc([N+](=O)[O-])ccc1Cl ZINC001650766378 1195380685 /nfs/dbraw/zinc/38/06/85/1195380685.db2.gz AOUZTEDTAFEHEH-UHFFFAOYSA-N 1 1 309.728 3.381 20 5 DGBDMO C[C@@H]1CCC[N@@H+](CCNc2ncc([N+](=O)[O-])c3ccccc32)C1 ZINC001651373521 1195451171 /nfs/dbraw/zinc/45/11/71/1195451171.db2.gz GFVMZFACXUKYNW-CYBMUJFWSA-N 1 1 314.389 3.287 20 5 DGBDMO C[C@H](CNc1c(F)cc([N+](=O)[O-])cc1F)[N@H+]1CCC[C@H](C)C1 ZINC001651373622 1195451203 /nfs/dbraw/zinc/45/12/03/1195451203.db2.gz JKUVEPBRVJNWCX-WDEREUQCSA-N 1 1 313.348 3.405 20 5 DGBDMO Cc1ccc([N+](=O)[O-])c(NC[C@@H]2CCC[N@@H+](CC3CC3)C2)c1 ZINC001652085211 1195545780 /nfs/dbraw/zinc/54/57/80/1195545780.db2.gz JHLJNVGBGKFLBY-HNNXBMFYSA-N 1 1 303.406 3.437 20 5 DGBDMO CC(C)n1cc([C@@H](C)[NH2+]Cc2ccc([N+](=O)[O-])cc2F)cn1 ZINC001653192301 1195697106 /nfs/dbraw/zinc/69/71/06/1195697106.db2.gz YZDPPALSSOKFOU-LLVKDONJSA-N 1 1 306.341 3.362 20 5 DGBDMO COc1c(O)ccc(C[NH2+][C@H](C)c2ccc(F)cc2)c1[N+](=O)[O-] ZINC001653202970 1195697865 /nfs/dbraw/zinc/69/78/65/1195697865.db2.gz CKOPQJLADWYBIH-SNVBAGLBSA-N 1 1 320.320 3.299 20 5 DGBDMO CC[C@@H]1CCC[N@H+]([C@@H](C)C(=O)Nc2ccc([N+](=O)[O-])cc2)CC1 ZINC001653360581 1195713997 /nfs/dbraw/zinc/71/39/97/1195713997.db2.gz RWIUGIQGUSZOMH-UONOGXRCSA-N 1 1 319.405 3.434 20 5 DGBDMO CCCC[N@@H+](CCn1ccc([N+](=O)[O-])n1)[C@H]1CCC[C@H](C)C1 ZINC001653736470 1195747406 /nfs/dbraw/zinc/74/74/06/1195747406.db2.gz ULQUCCNXZLYFBB-GJZGRUSLSA-N 1 1 308.426 3.472 20 5 DGBDMO O=[N+]([O-])c1ccc(OCCC[N@H+]2CC[C@H](C3CCC3)C2)cc1 ZINC001653891735 1195757372 /nfs/dbraw/zinc/75/73/72/1195757372.db2.gz RLSLUXJYEYMNRA-HNNXBMFYSA-N 1 1 304.390 3.486 20 5 DGBDMO O=[N+]([O-])c1ccc(OCCC[N@H+]2CC[C@@H](C3CCC3)C2)cc1 ZINC001653891736 1195757596 /nfs/dbraw/zinc/75/75/96/1195757596.db2.gz RLSLUXJYEYMNRA-OAHLLOKOSA-N 1 1 304.390 3.486 20 5 DGBDMO CC[C@@H]1CC[N@@H+]([C@H](C)C(=O)Nc2cccc([N+](=O)[O-])c2C)[C@@H]1C ZINC001654219236 1195785508 /nfs/dbraw/zinc/78/55/08/1195785508.db2.gz UFDKRVVQFIWLEW-MGPQQGTHSA-N 1 1 319.405 3.351 20 5 DGBDMO CC(C)(C)OC[C@@H]1CCC[N@H+]1CCOc1cccc([N+](=O)[O-])c1 ZINC001654744595 1195834856 /nfs/dbraw/zinc/83/48/56/1195834856.db2.gz ZOFZBYYDCJKKRW-HNNXBMFYSA-N 1 1 322.405 3.253 20 5 DGBDMO CC1(C)CCC[N@@H+](CCNc2c(F)cc([N+](=O)[O-])cc2F)C1 ZINC001655420029 1195914562 /nfs/dbraw/zinc/91/45/62/1195914562.db2.gz VCJSLLCTKHIHOD-UHFFFAOYSA-N 1 1 313.348 3.407 20 5 DGBDMO C[C@H]1CSCCC[N@H+]1CCCOc1ccc([N+](=O)[O-])cc1 ZINC001655828019 1195967800 /nfs/dbraw/zinc/96/78/00/1195967800.db2.gz XPRGLXNLHDGVEO-ZDUSSCGKSA-N 1 1 310.419 3.191 20 5 DGBDMO O=[N+]([O-])c1cnn(CC[N@H+]2CCCCC23CCCCCC3)c1 ZINC001655894328 1195974943 /nfs/dbraw/zinc/97/49/43/1195974943.db2.gz HVDONARQNLCDFB-UHFFFAOYSA-N 1 1 306.410 3.370 20 5 DGBDMO CCC[C@H]1CCC[N@H+]1Cc1nnc(-c2ccccc2[N+](=O)[O-])o1 ZINC001656385163 1196035148 /nfs/dbraw/zinc/03/51/48/1196035148.db2.gz ZLMXRIKTLXTDCU-LBPRGKRZSA-N 1 1 316.361 3.409 20 5 DGBDMO C[C@H](C[NH2+]Cc1n[nH]c2ccccc21)c1ccccc1[N+](=O)[O-] ZINC001658075961 1196209285 /nfs/dbraw/zinc/20/92/85/1196209285.db2.gz KGCGGDUYLJZCCW-GFCCVEGCSA-N 1 1 310.357 3.364 20 5 DGBDMO O=[N+]([O-])c1cccc(Br)c1C[NH2+]C/C=C\Cl ZINC001658716952 1196292023 /nfs/dbraw/zinc/29/20/23/1196292023.db2.gz BLHZPLPFSUGLLU-DJWKRKHSSA-N 1 1 305.559 3.199 20 5 DGBDMO COc1c(O)ccc(C[N@H+]2C[C@@H](C)CCC[C@H]2C)c1[N+](=O)[O-] ZINC001659104071 1196345775 /nfs/dbraw/zinc/34/57/75/1196345775.db2.gz KUXHZMKXZZOJFF-NWDGAFQWSA-N 1 1 308.378 3.320 20 5 DGBDMO C[N@@H+](CCC(C)(C)C)[C@H]1CCN(c2cccc([N+](=O)[O-])c2)C1=O ZINC001659154793 1196353890 /nfs/dbraw/zinc/35/38/90/1196353890.db2.gz DOLXEDVMSNPMQD-HNNXBMFYSA-N 1 1 319.405 3.068 20 5 DGBDMO COC(=O)C[N@H+](Cc1cccc([N+](=O)[O-])c1C)C1CCCCC1 ZINC001659361199 1196375088 /nfs/dbraw/zinc/37/50/88/1196375088.db2.gz ONZRHAXVUOMCLT-UHFFFAOYSA-N 1 1 320.389 3.211 20 5 DGBDMO COC(=O)C[N@@H+](Cc1cccc([N+](=O)[O-])c1C)C1CCCCC1 ZINC001659361199 1196375089 /nfs/dbraw/zinc/37/50/89/1196375089.db2.gz ONZRHAXVUOMCLT-UHFFFAOYSA-N 1 1 320.389 3.211 20 5 DGBDMO Cc1ccc([N+](=O)[O-])c(C)c1C[N@@H+]1C[C@]2(C)COC[C@]2(C)C1 ZINC001659621176 1196400090 /nfs/dbraw/zinc/40/00/90/1196400090.db2.gz RMVHHWSYKSDQMS-CALCHBBNSA-N 1 1 304.390 3.070 20 5 DGBDMO CC[N@@H+]1CCCC[C@H]1CNCc1c(C)ccc([N+](=O)[O-])c1C ZINC001661416408 1196603727 /nfs/dbraw/zinc/60/37/27/1196603727.db2.gz OHVDKYBORCYCPU-HNNXBMFYSA-N 1 1 305.422 3.176 20 5 DGBDMO CC[N@H+]1CCCC[C@H]1CNCc1c(C)ccc([N+](=O)[O-])c1C ZINC001661416408 1196603729 /nfs/dbraw/zinc/60/37/29/1196603729.db2.gz OHVDKYBORCYCPU-HNNXBMFYSA-N 1 1 305.422 3.176 20 5 DGBDMO Cc1c(CNC[C@H]2CCC[N@H+](CC(C)C)C2)cccc1[N+](=O)[O-] ZINC001661991710 1196673123 /nfs/dbraw/zinc/67/31/23/1196673123.db2.gz OLCHDKYCKYOEDV-MRXNPFEDSA-N 1 1 319.449 3.361 20 5 DGBDMO COCC[N@H+](Cc1ccco1)Cc1c(C)ccc([N+](=O)[O-])c1C ZINC001663629117 1196917666 /nfs/dbraw/zinc/91/76/66/1196917666.db2.gz DVMKJBMEIZNWRP-UHFFFAOYSA-N 1 1 318.373 3.453 20 5 DGBDMO COCC[N@@H+](Cc1ccco1)Cc1c(C)ccc([N+](=O)[O-])c1C ZINC001663629117 1196917669 /nfs/dbraw/zinc/91/76/69/1196917669.db2.gz DVMKJBMEIZNWRP-UHFFFAOYSA-N 1 1 318.373 3.453 20 5 DGBDMO O=[N+]([O-])c1c(F)cccc1O[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000309558440 1199707867 /nfs/dbraw/zinc/70/78/67/1199707867.db2.gz OCLVCSHVBMXEFL-CQSZACIVSA-N 1 1 316.332 3.387 20 5 DGBDMO Cc1ncc([N+](=O)[O-])n1CC[N@@H+]1CC[C@@H](C)C2(CCCCC2)C1 ZINC001169541977 1081587070 /nfs/dbraw/zinc/58/70/70/1081587070.db2.gz WTWISJZUPPPRAV-CQSZACIVSA-N 1 1 320.437 3.392 20 5 DGBDMO O=[N+]([O-])c1cccc(Nc2cc[nH+]cc2C(F)(F)F)c1F ZINC001210378717 1081948211 /nfs/dbraw/zinc/94/82/11/1081948211.db2.gz NWDCOAPHXOYMHA-UHFFFAOYSA-N 1 1 301.199 3.313 20 5 DGBDMO CC[C@@H]1C[N@@H+](CC)CCN1Cc1ccc(Cl)cc1[N+](=O)[O-] ZINC001170272527 1082332966 /nfs/dbraw/zinc/33/29/66/1082332966.db2.gz INCFLUIJHVZNPR-CQSZACIVSA-N 1 1 311.813 3.164 20 5 DGBDMO COc1ccc(C[C@H](C)[N@@H+]2CC[C@H](OC)C[C@H]2C)c([N+](=O)[O-])c1 ZINC001170355880 1082350680 /nfs/dbraw/zinc/35/06/80/1082350680.db2.gz RYTUIIASEWTMCG-ZENOOKHLSA-N 1 1 322.405 3.034 20 5 DGBDMO COc1ccc(C[C@H](C)[N@H+]2CCC[C@@H](CF)C2)c([N+](=O)[O-])c1 ZINC001170345234 1082356748 /nfs/dbraw/zinc/35/67/48/1082356748.db2.gz IJAWLKKEPAWVBQ-STQMWFEESA-N 1 1 310.369 3.216 20 5 DGBDMO C[C@@H](C[N@H+]1CCC[C@@H](C)C1)Nc1c(F)cc([N+](=O)[O-])cc1F ZINC001185018178 1084313285 /nfs/dbraw/zinc/31/32/85/1084313285.db2.gz XRUCAZRDZKLGKS-MNOVXSKESA-N 1 1 313.348 3.405 20 5 DGBDMO C[N@H+]1CCCC(C)(C)[C@@H]1CNc1ncc(Cl)cc1[N+](=O)[O-] ZINC001186368653 1084635998 /nfs/dbraw/zinc/63/59/98/1084635998.db2.gz VCGMAALJOULTRC-LBPRGKRZSA-N 1 1 312.801 3.176 20 5 DGBDMO O=[N+]([O-])c1cc(F)c(N[C@H]2CCC[N@H+]3CCCC[C@H]23)c(F)c1 ZINC001186873541 1084712261 /nfs/dbraw/zinc/71/22/61/1084712261.db2.gz YNJFUVSIXAVAMG-UONOGXRCSA-N 1 1 311.332 3.302 20 5 DGBDMO CCC[N@@H+](C)CC(C)(C)Nc1c(F)cc([N+](=O)[O-])cc1F ZINC001187124206 1084760595 /nfs/dbraw/zinc/76/05/95/1084760595.db2.gz YIFSPMAWHFJWIR-UHFFFAOYSA-N 1 1 301.337 3.405 20 5 DGBDMO C[N@H+]1CCC[C@@H]1CCNc1nc(Cl)c(Cl)cc1[N+](=O)[O-] ZINC001160963289 1089048608 /nfs/dbraw/zinc/04/86/08/1089048608.db2.gz DPIKTPCQDKPTMB-MRVPVSSYSA-N 1 1 319.192 3.193 20 5 DGBDMO CC(C)(C)[NH+]1CC(Nc2nc3ccccc3cc2[N+](=O)[O-])C1 ZINC001162225906 1089617210 /nfs/dbraw/zinc/61/72/10/1089617210.db2.gz LNDSOXXAOUUCEG-UHFFFAOYSA-N 1 1 300.362 3.038 20 5 DGBDMO C[N@H+]1CCC[C@](C)(Nc2ccc3ccc([N+](=O)[O-])cc3n2)C1 ZINC001162341839 1089683173 /nfs/dbraw/zinc/68/31/73/1089683173.db2.gz PFPLREWRDRQFMX-INIZCTEOSA-N 1 1 300.362 3.039 20 5 DGBDMO C[C@@H]1CCCC[N@H+]1CCCNc1cc(Cl)ncc1[N+](=O)[O-] ZINC001156928307 1089750033 /nfs/dbraw/zinc/75/00/33/1089750033.db2.gz INZYXEDQVVQULD-LLVKDONJSA-N 1 1 312.801 3.320 20 5 DGBDMO CC(C)[N@H+]1CC[C@@H](Nc2cc([N+](=O)[O-])c3cc[nH]c3n2)[C@@H](C)C1 ZINC001163364583 1090165514 /nfs/dbraw/zinc/16/55/14/1090165514.db2.gz DRMGWNZMFIAAPU-WCQYABFASA-N 1 1 317.393 3.002 20 5 DGBDMO Cc1[nH+]ccn1CCNc1cc(Cl)ccc1/C=C/[N+](=O)[O-] ZINC001163929584 1090289705 /nfs/dbraw/zinc/28/97/05/1090289705.db2.gz RPMDTNHICCVISJ-QPJJXVBHSA-N 1 1 306.753 3.204 20 5 DGBDMO Nc1[nH+]cccc1Nc1c(N)c2cccnc2c2ncccc21 ZINC001212404132 1090625495 /nfs/dbraw/zinc/62/54/95/1090625495.db2.gz MYJSOODBYVZZLH-UHFFFAOYSA-N 1 1 302.341 3.086 20 5 DGBDMO C[C@H](C[NH2+]Cc1ccc2nc[nH]c2c1)c1ccccc1[N+](=O)[O-] ZINC001203863954 1090822595 /nfs/dbraw/zinc/82/25/95/1090822595.db2.gz JKQJXOJZOUDESB-GFCCVEGCSA-N 1 1 310.357 3.364 20 5 DGBDMO CCCN(C(=O)[C@H]1CCC[N@H+]1C(C)C)c1cccc([N+](=O)[O-])c1 ZINC001128450173 1090965654 /nfs/dbraw/zinc/96/56/54/1090965654.db2.gz GGCYVBQDOBPCBI-MRXNPFEDSA-N 1 1 319.405 3.211 20 5 DGBDMO [NH3+][C@H]1CCCN(Cc2ccc3ccc4cccnc4c3n2)CC1 ZINC001205117339 1091106670 /nfs/dbraw/zinc/10/66/70/1091106670.db2.gz OHJPMPBQGBNNCB-INIZCTEOSA-N 1 1 306.413 3.096 20 5 DGBDMO Cc1cc(C[NH2+]Cc2nc3cc([N+](=O)[O-])ccc3[nH]2)cs1 ZINC001205551060 1091249297 /nfs/dbraw/zinc/24/92/97/1091249297.db2.gz JRLYBUQOBFAYDJ-UHFFFAOYSA-N 1 1 302.359 3.131 20 5 DGBDMO COc1c(O)ccc(C[N@H+]2C[C@@H](C(C)C)[C@H]2C(C)C)c1[N+](=O)[O-] ZINC001205790049 1091350299 /nfs/dbraw/zinc/35/02/99/1091350299.db2.gz ZHAQZCBHDTYWDL-DZGCQCFKSA-N 1 1 322.405 3.421 20 5 DGBDMO [NH3+][C@H]1CCN(Cc2ccc3ccc4cccnc4c3n2)CC[C@H]1F ZINC001206188223 1091526450 /nfs/dbraw/zinc/52/64/50/1091526450.db2.gz UUQGDYPODMOERF-SJORKVTESA-N 1 1 324.403 3.044 20 5 DGBDMO CC[N@@H+]([C@H](C)Cc1ccc(OC)cc1)[C@H]1CC[C@H](C[N+](=O)[O-])C1 ZINC001169005920 1092482679 /nfs/dbraw/zinc/48/26/79/1092482679.db2.gz DHVRFRFHCTWKBR-PVAVHDDUSA-N 1 1 320.433 3.394 20 5 DGBDMO Cc1ccccc1O[C@@H]1CCC[N@H+]([C@@H]2CC[C@H](C[N+](=O)[O-])C2)C1 ZINC001169029705 1092494282 /nfs/dbraw/zinc/49/42/82/1092494282.db2.gz VJDSIVPTOCVSDM-GVDBMIGSSA-N 1 1 318.417 3.284 20 5 DGBDMO O=[N+]([O-])C[C@@H]1CC[C@H]([N@H+]2CCC[C@H](Cc3ccccc3)C2)C1 ZINC001169027892 1092494972 /nfs/dbraw/zinc/49/49/72/1092494972.db2.gz RMZOOGJVWFYKIW-KURKYZTESA-N 1 1 302.418 3.387 20 5 DGBDMO O=[N+]([O-])C[C@@H]1CC[C@H]([N@@H+](Cc2ccccc2)C2CCOCC2)C1 ZINC001169037468 1092499081 /nfs/dbraw/zinc/49/90/81/1092499081.db2.gz RYEGCGQESFHRTB-AEFFLSMTSA-N 1 1 318.417 3.113 20 5 DGBDMO O=[N+]([O-])C[C@H]1CC[C@@H]([N@@H+](Cc2ccccc2)C2CCOCC2)C1 ZINC001169037471 1092499140 /nfs/dbraw/zinc/49/91/40/1092499140.db2.gz RYEGCGQESFHRTB-FUHWJXTLSA-N 1 1 318.417 3.113 20 5 DGBDMO Cc1ccc(O[C@@H]2CCC[N@H+]([C@@H]3CC[C@@H](C[N+](=O)[O-])C3)C2)cc1 ZINC001169025021 1092505137 /nfs/dbraw/zinc/50/51/37/1092505137.db2.gz IMMOQLVMTRPFEN-JFIYKMOQSA-N 1 1 318.417 3.284 20 5 DGBDMO C[N@H+]([C@@H]1CC[C@@H](C[N+](=O)[O-])C1)C1CCN(C2CCCCC2)CC1 ZINC001169054567 1092511390 /nfs/dbraw/zinc/51/13/90/1092511390.db2.gz MRINJYZXCNORNE-CRAIPNDOSA-N 1 1 323.481 3.161 20 5 DGBDMO C[N@@H+]([C@@H]1CC[C@@H](C[N+](=O)[O-])C1)C1CCN(C2CCCCC2)CC1 ZINC001169054567 1092511401 /nfs/dbraw/zinc/51/14/01/1092511401.db2.gz MRINJYZXCNORNE-CRAIPNDOSA-N 1 1 323.481 3.161 20 5 DGBDMO O=[N+]([O-])c1cccc(-c2cccc(O[C@@H]3C[NH2+]CC3(F)F)c2)c1 ZINC001218236528 1094671804 /nfs/dbraw/zinc/67/18/04/1094671804.db2.gz IVHOXXWCUOKEJA-OAHLLOKOSA-N 1 1 320.295 3.248 20 5 DGBDMO CS[C@@H]1CC[C@H]([N@@H+](C)Cn2ncc3cc([N+](=O)[O-])ccc32)C1 ZINC001116145419 1095468975 /nfs/dbraw/zinc/46/89/75/1095468975.db2.gz GYXNVBVPBLSIGL-GXTWGEPZSA-N 1 1 320.418 3.118 20 5 DGBDMO CCCC1CC[NH+]([C@@H](C)C(=O)Nc2ccccc2[N+](=O)[O-])CC1 ZINC001116333397 1095519094 /nfs/dbraw/zinc/51/90/94/1095519094.db2.gz HWUXIQZUBBFINP-ZDUSSCGKSA-N 1 1 319.405 3.434 20 5 DGBDMO O=[N+]([O-])c1ccc(CO[C@@H]2CC[N@@H+](Cc3ccccc3)C2)cc1 ZINC001222790442 1095754578 /nfs/dbraw/zinc/75/45/78/1095754578.db2.gz UXIRKZYNEJMGDW-GOSISDBHSA-N 1 1 312.369 3.386 20 5 DGBDMO C/C(=C\c1cccc([N+](=O)[O-])c1)C[N@@H+]1CC[C@](CO)(C(C)C)C1 ZINC001117682167 1095799225 /nfs/dbraw/zinc/79/92/25/1095799225.db2.gz DAEKNQXIPVPURH-DWCFMXGVSA-N 1 1 318.417 3.339 20 5 DGBDMO COc1cc([N+](=O)[O-])ccc1[C@H](C)[NH2+][C@@H]1CCCC[C@H]1N(C)C ZINC001118486541 1096020603 /nfs/dbraw/zinc/02/06/03/1096020603.db2.gz HBWOGNXDZTVDSH-APHBMKBZSA-N 1 1 321.421 3.127 20 5 DGBDMO C[N+](C)(C)CCCO[C@@H]1CCN(Cc2ccc(Cl)cc2)C1 ZINC001224621699 1096249118 /nfs/dbraw/zinc/24/91/18/1096249118.db2.gz ZNKRGKJWEXFJIU-QGZVFWFLSA-N 1 1 311.877 3.027 20 5 DGBDMO O=[N+]([O-])c1ccc(O[C@@H]2CC[N@@H+](Cc3ccccc3)C2)c(F)c1 ZINC001225948848 1096571333 /nfs/dbraw/zinc/57/13/33/1096571333.db2.gz WEGHSOWQKBMKBG-OAHLLOKOSA-N 1 1 316.332 3.387 20 5 DGBDMO C[N@H+]1CCC[C@H](Oc2ccc3c(c2)oc(=O)c2ccccc32)C1 ZINC001226512802 1096709600 /nfs/dbraw/zinc/70/96/00/1096709600.db2.gz VHNAJPKCYOJDSM-AWEZNQCLSA-N 1 1 309.365 3.419 20 5 DGBDMO C[N@@H+]1[C@@H]2CC[C@H]1C[C@H](Oc1cc(Cl)c(F)cc1[N+](=O)[O-])C2 ZINC001226909513 1096813793 /nfs/dbraw/zinc/81/37/93/1096813793.db2.gz WBOPGJHGWPIUEH-ILWJIGKKSA-N 1 1 314.744 3.391 20 5 DGBDMO CC(C)[N@H+]1CC[C@H](Oc2ccc([N+](=O)[O-])c3cccnc23)C1 ZINC001228139685 1097060349 /nfs/dbraw/zinc/06/03/49/1097060349.db2.gz WFHVEILYJVUODS-LBPRGKRZSA-N 1 1 301.346 3.005 20 5 DGBDMO C[N@@H+]1CCC[C@H](Oc2cc(Cl)c([N+](=O)[O-])cc2Cl)C1 ZINC001228152459 1097063724 /nfs/dbraw/zinc/06/37/24/1097063724.db2.gz OPWBPRFIXURBRZ-QMMMGPOBSA-N 1 1 305.161 3.375 20 5 DGBDMO C[N@H+]1CCC[C@H](Oc2cc(Cl)c([N+](=O)[O-])cc2Cl)C1 ZINC001228152459 1097063729 /nfs/dbraw/zinc/06/37/29/1097063729.db2.gz OPWBPRFIXURBRZ-QMMMGPOBSA-N 1 1 305.161 3.375 20 5 DGBDMO C[C@@H]1C[N@H+]([C@@H]2CCc3ccc([N+](=O)[O-])cc3CC2)CCCC1=O ZINC001172909230 1097278201 /nfs/dbraw/zinc/27/82/01/1097278201.db2.gz RFOXMELJZQYRNT-CZUORRHYSA-N 1 1 316.401 3.143 20 5 DGBDMO CCO[C@H]1CCC[N@H+]([C@H]2CCc3ccc([N+](=O)[O-])cc3CC2)C1 ZINC001172917842 1097280053 /nfs/dbraw/zinc/28/00/53/1097280053.db2.gz XKNZPABZWJJTQP-WMZOPIPTSA-N 1 1 318.417 3.343 20 5 DGBDMO O=[N+]([O-])c1ccc2c(c1)CC[C@@H]([N@H+]1CCC[C@]13CCOC3)CC2 ZINC001172920082 1097280624 /nfs/dbraw/zinc/28/06/24/1097280624.db2.gz IHWPYKJWMMVPTJ-FUHWJXTLSA-N 1 1 316.401 3.097 20 5 DGBDMO C[N@@H+](Cc1nccs1)[C@H]1CCc2ccc([N+](=O)[O-])cc2CC1 ZINC001172922594 1097281903 /nfs/dbraw/zinc/28/19/03/1097281903.db2.gz ZCJJLUNBNNRLGZ-AWEZNQCLSA-N 1 1 317.414 3.431 20 5 DGBDMO O=[N+]([O-])c1ccc2c(c1)CC[C@H]([N@H+]1C[C@@H]3C[C@H]1C[C@H]3F)CC2 ZINC001172911863 1097292210 /nfs/dbraw/zinc/29/22/10/1097292210.db2.gz WTTNUHRLIPQGIF-HDEZJCGLSA-N 1 1 304.365 3.275 20 5 DGBDMO CC(C)[N@H+]1CCC[C@H](Oc2cc([N+](=O)[O-])cc3cccnc32)C1 ZINC001229344203 1097301702 /nfs/dbraw/zinc/30/17/02/1097301702.db2.gz SECHCEAYVOPOTN-HNNXBMFYSA-N 1 1 315.373 3.395 20 5 DGBDMO CCCC[N@@H+](C)CCC[NH2+][C@H](C)Cc1ccc([N+](=O)[O-])cc1 ZINC001173215372 1097367748 /nfs/dbraw/zinc/36/77/48/1097367748.db2.gz VOEVEYSYNOWCRG-OAHLLOKOSA-N 1 1 307.438 3.237 20 5 DGBDMO C[C@@H](Cc1ccc([N+](=O)[O-])cc1)[N@H+]1CC[C@H](C(F)(F)F)C1 ZINC001173225759 1097374787 /nfs/dbraw/zinc/37/47/87/1097374787.db2.gz GAEUSAFSGVSQIV-JQWIXIFHSA-N 1 1 302.296 3.410 20 5 DGBDMO C[C@@H](Cc1ccc([N+](=O)[O-])cc1)[N@@H+]1CCC[C@@H]1CN1CCCC1 ZINC001173228186 1097375907 /nfs/dbraw/zinc/37/59/07/1097375907.db2.gz UEJQFXHTDDZJHJ-MAUKXSAKSA-N 1 1 317.433 3.086 20 5 DGBDMO C[C@@H](Cc1ccc([N+](=O)[O-])cc1)[N@H+]1CCC[C@@H]1CN1CCCC1 ZINC001173228186 1097375913 /nfs/dbraw/zinc/37/59/13/1097375913.db2.gz UEJQFXHTDDZJHJ-MAUKXSAKSA-N 1 1 317.433 3.086 20 5 DGBDMO C[C@H](Cc1ccc([N+](=O)[O-])cc1)[N@H+]1CC[C@@H]2OCCC[C@H]2C1 ZINC001173228964 1097376006 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GSDLYLJUGIPJGI-CYBMUJFWSA-N 1 1 309.325 3.338 20 5 DGBDMO C[C@H]1C[N@@H+](Cc2ccc3ccc4cccnc4c3n2)CCC[C@H]1O ZINC001232218705 1097970213 /nfs/dbraw/zinc/97/02/13/1097970213.db2.gz KGCHKCSYLRHEQZ-KBXCAEBGSA-N 1 1 321.424 3.376 20 5 DGBDMO CC(=O)[C@H]1CC[N@@H+](Cc2ccc3ccc4cccnc4c3n2)C1 ZINC001232225682 1097972825 /nfs/dbraw/zinc/97/28/25/1097972825.db2.gz OLMKMFPQYHZEPF-INIZCTEOSA-N 1 1 305.381 3.194 20 5 DGBDMO C[C@@H]1CO[C@@H]2C[N@@H+](Cc3ccc4ccc5cccnc5c4n3)C[C@H]12 ZINC001232224480 1097973421 /nfs/dbraw/zinc/97/34/21/1097973421.db2.gz IXHHKIDWAWQELE-FSPWUOQZSA-N 1 1 319.408 3.250 20 5 DGBDMO CC(=O)[C@@H]1CC[N@@H+](Cc2ccc3ccc4cccnc4c3n2)C1 ZINC001232225685 1097974482 /nfs/dbraw/zinc/97/44/82/1097974482.db2.gz OLMKMFPQYHZEPF-MRXNPFEDSA-N 1 1 305.381 3.194 20 5 DGBDMO O=[N+]([O-])c1ccc(OCC[N@H+]2CCCSC[C@@H]2C2CC2)cc1 ZINC001176641588 1098396323 /nfs/dbraw/zinc/39/63/23/1098396323.db2.gz SHYPFSRAPJQKIO-MRXNPFEDSA-N 1 1 322.430 3.191 20 5 DGBDMO CC(C)[N@H+]1CC[C@@H](Oc2ccc3cccc([N+](=O)[O-])c3n2)C1 ZINC001233835636 1098439457 /nfs/dbraw/zinc/43/94/57/1098439457.db2.gz AOUSEXNCLOMVCB-CYBMUJFWSA-N 1 1 301.346 3.005 20 5 DGBDMO CC[N@H+]1CCC[C@H](Oc2ccc3cccc([N+](=O)[O-])c3n2)C1 ZINC001233837177 1098440408 /nfs/dbraw/zinc/44/04/08/1098440408.db2.gz WAMCJEIYYRSNHI-ZDUSSCGKSA-N 1 1 301.346 3.006 20 5 DGBDMO C[C@H]([NH2+]Cc1cn2cccc(F)c2n1)c1ccc([N+](=O)[O-])cc1 ZINC001179579979 1099150612 /nfs/dbraw/zinc/15/06/12/1099150612.db2.gz YXGNQBFYUFBSTF-NSHDSACASA-N 1 1 314.320 3.232 20 5 DGBDMO C[C@@H]1[C@@H](Nc2cccc(C(F)(F)F)c2[N+](=O)[O-])CC[N@H+]1C ZINC001187663264 1099567336 /nfs/dbraw/zinc/56/73/36/1099567336.db2.gz UCCIQTFHQPHTNB-SCZZXKLOSA-N 1 1 303.284 3.118 20 5 DGBDMO C[C@H]1[C@@H](Nc2cccc(C(F)(F)F)c2[N+](=O)[O-])CC[N@H+]1C ZINC001187663266 1099568415 /nfs/dbraw/zinc/56/84/15/1099568415.db2.gz UCCIQTFHQPHTNB-WPRPVWTQSA-N 1 1 303.284 3.118 20 5 DGBDMO Cc1cc(N2CC[N@H+](C)C[C@H]2CC(C)C)c(F)cc1[N+](=O)[O-] ZINC001187709162 1099581486 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DGBDMO O=[N+]([O-])c1ccc2[nH+]ccc(NC3CC4(CC4(F)F)C3)c2c1 ZINC001329290620 1104212376 /nfs/dbraw/zinc/21/23/76/1104212376.db2.gz GZTWKEPAEFZROZ-UHFFFAOYSA-N 1 1 305.284 3.165 20 5 DGBDMO CC[N@@H+](CCCNc1ncc([N+](=O)[O-])c(C)n1)C1CCCCC1 ZINC001329649641 1104359400 /nfs/dbraw/zinc/35/94/00/1104359400.db2.gz YMGQUUCREKKZLG-UHFFFAOYSA-N 1 1 321.425 3.150 20 5 DGBDMO Cc1nn(C[N@H+]2CCC[C@H](CCF)C2)c2cc([N+](=O)[O-])ccc12 ZINC001330665892 1104611410 /nfs/dbraw/zinc/61/14/10/1104611410.db2.gz OINOZBAMMSFPJM-CYBMUJFWSA-N 1 1 320.368 3.282 20 5 DGBDMO COc1ccc(Nc2ccc3c(c2)C[N@H+](C)CC3)c([N+](=O)[O-])c1 ZINC001248488749 1105118943 /nfs/dbraw/zinc/11/89/43/1105118943.db2.gz OBQBGFXYRZUJKL-UHFFFAOYSA-N 1 1 313.357 3.335 20 5 DGBDMO C[C@H]1C[C@@H](CF)[N@H+](C2CCN(c3ccc([N+](=O)[O-])cc3)CC2)C1 ZINC001254473892 1106078127 /nfs/dbraw/zinc/07/81/27/1106078127.db2.gz JDIRMHARXQQVAW-GUYCJALGSA-N 1 1 321.396 3.244 20 5 DGBDMO C[C@H](Cc1ccccc1[N+](=O)[O-])[N@H+]1CCc2cc(O)ccc2C1 ZINC001254552407 1106102670 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HSNQBAJBNZUPTK-QGZVFWFLSA-N 1 1 312.369 3.073 20 5 DGBDMO C[C@@H]1CC[N@H+]([C@@H]2Cc3ccc([N+](=O)[O-])cc3C2)CCC1(F)F ZINC001254596712 1106110874 /nfs/dbraw/zinc/11/08/74/1106110874.db2.gz FLTRJKCXOOHOSM-IAQYHMDHSA-N 1 1 310.344 3.429 20 5 DGBDMO CCC[N@@H+]1CCCC[C@H]1C(=O)OCc1ccc([N+](=O)[O-])c(F)c1 ZINC001320877801 1107174229 /nfs/dbraw/zinc/17/42/29/1107174229.db2.gz CJKVJVIDNSQUCQ-HNNXBMFYSA-N 1 1 324.352 3.042 20 5 DGBDMO CCC[N@H+]1CCCC[C@H]1C(=O)OCc1ccc([N+](=O)[O-])c(F)c1 ZINC001320877801 1107174237 /nfs/dbraw/zinc/17/42/37/1107174237.db2.gz CJKVJVIDNSQUCQ-HNNXBMFYSA-N 1 1 324.352 3.042 20 5 DGBDMO O=[N+]([O-])c1ccc2cnn(C[N@H+]3CC[C@@H]4CCCC[C@@H]4C3)c2c1 ZINC001317668139 1107587803 /nfs/dbraw/zinc/58/78/03/1107587803.db2.gz OCIZOKIDCCTYEW-DZGCQCFKSA-N 1 1 314.389 3.414 20 5 DGBDMO CC[NH+](CC)Cc1nc(-c2cc(C)c([N+](=O)[O-])cc2C)no1 ZINC001323599585 1108025245 /nfs/dbraw/zinc/02/52/45/1108025245.db2.gz SSNDMIQOUMHURP-UHFFFAOYSA-N 1 1 304.350 3.103 20 5 DGBDMO C[N@H+](Cc1cc([N+](=O)[O-])ccc1Cl)CC1CCC(O)CC1 ZINC001324401792 1108275969 /nfs/dbraw/zinc/27/59/69/1108275969.db2.gz YRDMEYULNKECQG-UHFFFAOYSA-N 1 1 312.797 3.231 20 5 DGBDMO CC[C@H](NC[C@H]1CCC[N@H+](CC)C1)c1cccc([N+](=O)[O-])c1 ZINC001319382642 1108438932 /nfs/dbraw/zinc/43/89/32/1108438932.db2.gz HYMHNUGTKQKADK-PBHICJAKSA-N 1 1 305.422 3.367 20 5 DGBDMO CC[C@H](NC[C@H]1CCC[N@@H+](CC)C1)c1cccc([N+](=O)[O-])c1 ZINC001319382642 1108438938 /nfs/dbraw/zinc/43/89/38/1108438938.db2.gz HYMHNUGTKQKADK-PBHICJAKSA-N 1 1 305.422 3.367 20 5 DGBDMO C[N@H+]1CCC[C@@H]1CNc1cc(C(F)(F)F)ccc1[N+](=O)[O-] ZINC001307166401 1111273897 /nfs/dbraw/zinc/27/38/97/1111273897.db2.gz VDCBLDWXNHTVCT-SNVBAGLBSA-N 1 1 303.284 3.120 20 5 DGBDMO COc1ccc(C[C@H]2CC[N@@H+]2Cc2csc([N+](=O)[O-])c2)cc1 ZINC001307524403 1111310470 /nfs/dbraw/zinc/31/04/70/1111310470.db2.gz SZMACCHBISMXNQ-CQSZACIVSA-N 1 1 318.398 3.482 20 5 DGBDMO COc1ccc(C[C@H]2CC[N@H+]2Cc2csc([N+](=O)[O-])c2)cc1 ZINC001307524403 1111310475 /nfs/dbraw/zinc/31/04/75/1111310475.db2.gz SZMACCHBISMXNQ-CQSZACIVSA-N 1 1 318.398 3.482 20 5 DGBDMO Cc1c([C@@H](C)[NH2+]Cc2ccc([N+](=O)[O-])cc2Cl)cnn1C ZINC001307656245 1111324218 /nfs/dbraw/zinc/32/42/18/1111324218.db2.gz FRDLZZZLISJRSK-SECBINFHSA-N 1 1 308.769 3.141 20 5 DGBDMO Cc1ccc([N+](=O)[O-])cc1[C@H](C)[N@H+]1CC[C@H](c2ncccn2)C1 ZINC001308115316 1111380181 /nfs/dbraw/zinc/38/01/81/1111380181.db2.gz UUUSVFMISUMZLB-KBPBESRZSA-N 1 1 312.373 3.244 20 5 DGBDMO CCOC(=O)CC[N@@H+](Cc1c(C)ccc([N+](=O)[O-])c1C)C1CC1 ZINC001308626641 1111452865 /nfs/dbraw/zinc/45/28/65/1111452865.db2.gz GFCWDPNMTCHINW-UHFFFAOYSA-N 1 1 320.389 3.129 20 5 DGBDMO Cc1ccc([N+](=O)[O-])c(C)c1C[N@@H+]1CCO[C@H](C(C)(C)C)C1 ZINC001308733736 1111467693 /nfs/dbraw/zinc/46/76/93/1111467693.db2.gz FPPCGEGUBDHBHX-INIZCTEOSA-N 1 1 306.406 3.459 20 5 DGBDMO Cc1ccc([N+](=O)[O-])c(C)c1C[N@H+]1CCO[C@H](C(C)(C)C)C1 ZINC001308733736 1111467694 /nfs/dbraw/zinc/46/76/94/1111467694.db2.gz FPPCGEGUBDHBHX-INIZCTEOSA-N 1 1 306.406 3.459 20 5 DGBDMO C[C@H]1CCC[N@@H+](CCCCNc2ccc(N)cc2[N+](=O)[O-])C1 ZINC000286547703 219047535 /nfs/dbraw/zinc/04/75/35/219047535.db2.gz ZJPKEWZTKLLBHS-ZDUSSCGKSA-N 1 1 306.410 3.101 20 5 DGBDMO O=[N+]([O-])c1ccc(C[N@@H+]2CCC[C@@H]2[C@@H]2CCC[C@@H]2O)c(Cl)c1 ZINC000318419702 231170060 /nfs/dbraw/zinc/17/00/60/231170060.db2.gz KFYWERMFJZIUDY-IMJJTQAJSA-N 1 1 324.808 3.374 20 5 DGBDMO CC[C@H](CSc1ccccc1[N+](=O)[O-])NCC[C@H]1CCC[NH2+]1 ZINC000423370822 529418258 /nfs/dbraw/zinc/41/82/58/529418258.db2.gz UPSFPTULKZQLQS-ZIAGYGMSSA-N 1 1 323.462 3.197 20 5 DGBDMO CCn1c(C)nc([N+](=O)[O-])c1NCCC[N@@H+](C)C1CCCCC1 ZINC000323922563 231221997 /nfs/dbraw/zinc/22/19/97/231221997.db2.gz NAPHLOJTDBFZQA-UHFFFAOYSA-N 1 1 323.441 3.186 20 5 DGBDMO O=[N+]([O-])c1c(N[C@@H]2CC[N@H+]3CCC[C@H]3C2)ccc2ncccc21 ZINC000322601466 231212169 /nfs/dbraw/zinc/21/21/69/231212169.db2.gz MIALBWWRIDGIBO-OLZOCXBDSA-N 1 1 312.373 3.182 20 5 DGBDMO CC[C@@H](CSc1ccccc1[N+](=O)[O-])NCC[C@H]1CCC[NH2+]1 ZINC000423370821 529534456 /nfs/dbraw/zinc/53/44/56/529534456.db2.gz UPSFPTULKZQLQS-UONOGXRCSA-N 1 1 323.462 3.197 20 5 DGBDMO C[C@H]1CCC[N@@H+](CCC(=O)Nc2ccc([N+](=O)[O-])cc2)CC1 ZINC000063309314 432005113 /nfs/dbraw/zinc/00/51/13/432005113.db2.gz YWGKAKCYIXYTRS-ZDUSSCGKSA-N 1 1 305.378 3.045 20 5 DGBDMO Cc1cc(C[C@H](C)[NH2+][C@@H](C)c2cccc([N+](=O)[O-])c2C)n[nH]1 ZINC000090529648 185300645 /nfs/dbraw/zinc/30/06/45/185300645.db2.gz PNSAYXWCRWNKRU-GWCFXTLKSA-N 1 1 302.378 3.217 20 5 DGBDMO C[N@@H+](CCOc1ccc([N+](=O)[O-])cc1)Cc1cc(F)cc(F)c1 ZINC000444689465 529926180 /nfs/dbraw/zinc/92/61/80/529926180.db2.gz GCCMQSCGAAPBME-UHFFFAOYSA-N 1 1 322.311 3.384 20 5 DGBDMO CC(C)[N@@H+](CCOCC(F)(F)F)Cc1ccc([N+](=O)[O-])cc1 ZINC000066434551 432016278 /nfs/dbraw/zinc/01/62/78/432016278.db2.gz MGQFEXFSSNVLGE-UHFFFAOYSA-N 1 1 320.311 3.384 20 5 DGBDMO O=[N+]([O-])c1ccc(C[N@H+](Cc2cccc3nccn32)C2CC2)cc1 ZINC000179694622 186206918 /nfs/dbraw/zinc/20/69/18/186206918.db2.gz NSLZYAOFIRIZDO-UHFFFAOYSA-N 1 1 322.368 3.407 20 5 DGBDMO O=[N+]([O-])c1ccc(C[N@@H+](Cc2cccc3nccn32)C2CC2)cc1 ZINC000179694622 186206919 /nfs/dbraw/zinc/20/69/19/186206919.db2.gz NSLZYAOFIRIZDO-UHFFFAOYSA-N 1 1 322.368 3.407 20 5 DGBDMO C[C@H]1CCC[N@H+]1CCc1ncc(-c2cccc([N+](=O)[O-])c2)o1 ZINC000072875545 191245951 /nfs/dbraw/zinc/24/59/51/191245951.db2.gz VRDWPPJOETVPFS-LBPRGKRZSA-N 1 1 301.346 3.277 20 5 DGBDMO COc1c(C)cnc(C[NH2+][C@H](C)c2cccc([N+](=O)[O-])c2)c1C ZINC000173366352 198207481 /nfs/dbraw/zinc/20/74/81/198207481.db2.gz PSRAEDNGTUXKDU-CYBMUJFWSA-N 1 1 315.373 3.466 20 5 DGBDMO Cn1cc([C@H]2CCCC[N@@H+]2Cc2cccc([N+](=O)[O-])c2)cn1 ZINC000331961337 234323416 /nfs/dbraw/zinc/32/34/16/234323416.db2.gz VARBZKAYYCHFLF-MRXNPFEDSA-N 1 1 300.362 3.056 20 5 DGBDMO Cn1cc([C@H]2CCCC[N@H+]2Cc2cccc([N+](=O)[O-])c2)cn1 ZINC000331961337 234323419 /nfs/dbraw/zinc/32/34/19/234323419.db2.gz VARBZKAYYCHFLF-MRXNPFEDSA-N 1 1 300.362 3.056 20 5 DGBDMO COc1ccc(C[N@@H+]2CCC[C@H]2c2ccc[nH]2)cc1[N+](=O)[O-] ZINC000077171115 191669645 /nfs/dbraw/zinc/66/96/45/191669645.db2.gz AURFPAQBJPTMBY-AWEZNQCLSA-N 1 1 301.346 3.269 20 5 DGBDMO COc1ccc(C[N@H+]2CCC[C@H]2c2ccc[nH]2)cc1[N+](=O)[O-] ZINC000077171115 191669647 /nfs/dbraw/zinc/66/96/47/191669647.db2.gz AURFPAQBJPTMBY-AWEZNQCLSA-N 1 1 301.346 3.269 20 5 DGBDMO CCOC[C@H]1CC[N@@H+](Cc2cc([N+](=O)[O-])ccc2OC(C)C)C1 ZINC000081519880 192278965 /nfs/dbraw/zinc/27/89/65/192278965.db2.gz YWXGUGIREOHODD-AWEZNQCLSA-N 1 1 322.405 3.240 20 5 DGBDMO Cc1ccc([N+](=O)[O-])cc1[C@@H](C)SCC[NH+]1CCOCC1 ZINC000180024053 199108434 /nfs/dbraw/zinc/10/84/34/199108434.db2.gz ZUSUGRBYTNDISM-CYBMUJFWSA-N 1 1 310.419 3.030 20 5 DGBDMO CC[C@H](O)C[N@@H+](Cc1ccccc1)Cc1ccc([N+](=O)[O-])cc1 ZINC000134493690 432077926 /nfs/dbraw/zinc/07/79/26/432077926.db2.gz LLEGQMFKSXJHRG-SFHVURJKSA-N 1 1 314.385 3.368 20 5 DGBDMO Cc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@H+]1CCCC2(CC2)C1 ZINC000186977788 200042427 /nfs/dbraw/zinc/04/24/27/200042427.db2.gz IXJARAGOZLSMHO-UHFFFAOYSA-N 1 1 317.389 3.108 20 5 DGBDMO Cc1c(NC(=O)[C@@H](C)[N@@H+]2CCCC3(CC3)C2)cccc1[N+](=O)[O-] ZINC000187010403 200046872 /nfs/dbraw/zinc/04/68/72/200046872.db2.gz LCMXVAIUMWYJDW-CYBMUJFWSA-N 1 1 317.389 3.106 20 5 DGBDMO Cc1c(NC(=O)[C@@H](C)[N@H+]2CCCC3(CC3)C2)cccc1[N+](=O)[O-] ZINC000187010403 200046874 /nfs/dbraw/zinc/04/68/74/200046874.db2.gz LCMXVAIUMWYJDW-CYBMUJFWSA-N 1 1 317.389 3.106 20 5 DGBDMO COc1cc([N+](=O)[O-])ccc1C[NH+]1CCC(C(F)F)CC1 ZINC000430222250 238071743 /nfs/dbraw/zinc/07/17/43/238071743.db2.gz UZFXPUXWRHOTNB-UHFFFAOYSA-N 1 1 300.305 3.081 20 5 DGBDMO COc1cc([N+](=O)[O-])ccc1C[N@@H+]1CCC[C@H]1c1ccc[nH]1 ZINC000430243213 238072377 /nfs/dbraw/zinc/07/23/77/238072377.db2.gz UGEOUGHYHSJJSL-HNNXBMFYSA-N 1 1 301.346 3.269 20 5 DGBDMO COc1cc([N+](=O)[O-])ccc1C[N@H+]1CCC[C@H]1c1ccc[nH]1 ZINC000430243213 238072378 /nfs/dbraw/zinc/07/23/78/238072378.db2.gz UGEOUGHYHSJJSL-HNNXBMFYSA-N 1 1 301.346 3.269 20 5 DGBDMO O=[N+]([O-])c1cccc2c(N3CCC[C@H](c4[nH]cc[nH+]4)C3)ccnc21 ZINC000432338700 238125708 /nfs/dbraw/zinc/12/57/08/238125708.db2.gz WSRFJZOBPMDNDQ-LBPRGKRZSA-N 1 1 323.356 3.250 20 5 DGBDMO C[C@H](NC[C@H](C)[N@@H+]1CCC[C@@H](C)C1)c1cccc([N+](=O)[O-])c1 ZINC000173322340 299313973 /nfs/dbraw/zinc/31/39/73/299313973.db2.gz XYFOMOLFKPPLBW-ILXRZTDVSA-N 1 1 305.422 3.366 20 5 DGBDMO C[C@H](NC[C@H](C)[N@H+]1CCC[C@@H](C)C1)c1cccc([N+](=O)[O-])c1 ZINC000173322340 299313976 /nfs/dbraw/zinc/31/39/76/299313976.db2.gz XYFOMOLFKPPLBW-ILXRZTDVSA-N 1 1 305.422 3.366 20 5 DGBDMO O=[N+]([O-])c1ccc(C[N@H+]2CCC[C@@H]3CCC[C@@H]32)c([N+](=O)[O-])c1 ZINC000193800064 201124954 /nfs/dbraw/zinc/12/49/54/201124954.db2.gz ISNNNAIDJJRCBA-FZMZJTMJSA-N 1 1 305.334 3.268 20 5 DGBDMO O=[N+]([O-])c1ccc(OCC[N@@H+]2CCc3ccc(F)cc3C2)cc1 ZINC000441053825 239005087 /nfs/dbraw/zinc/00/50/87/239005087.db2.gz BAONQINKWPFAQD-UHFFFAOYSA-N 1 1 316.332 3.171 20 5 DGBDMO O=[N+]([O-])c1ccc(OCC[N@H+]2CCc3ccc(F)cc3C2)cc1 ZINC000441053825 239005094 /nfs/dbraw/zinc/00/50/94/239005094.db2.gz BAONQINKWPFAQD-UHFFFAOYSA-N 1 1 316.332 3.171 20 5 DGBDMO COc1ccc(OCC[N@H+]2CCC[C@H](C)CC2)c([N+](=O)[O-])c1 ZINC000441283834 239030559 /nfs/dbraw/zinc/03/05/59/239030559.db2.gz XGDGIQSUBDLQJC-ZDUSSCGKSA-N 1 1 308.378 3.104 20 5 DGBDMO C[C@@H]1C[N@@H+](CCC(=O)Nc2cc([N+](=O)[O-])ccc2F)C(C)(C)C1 ZINC000275462038 212347917 /nfs/dbraw/zinc/34/79/17/212347917.db2.gz KGVMTHGTIZGUIX-NSHDSACASA-N 1 1 323.368 3.183 20 5 DGBDMO C[C@H](Cc1ccccc1[N+](=O)[O-])[NH2+][C@H](CCN(C)C)C(C)(C)C ZINC000449138088 240035510 /nfs/dbraw/zinc/03/55/10/240035510.db2.gz AUACWUULSCOECB-RHSMWYFYSA-N 1 1 321.465 3.482 20 5 DGBDMO CCO[C@@H]1CC[N@@H+](Cc2ccc([N+](=O)[O-])cc2Cl)C[C@@H]1C ZINC000449500215 240247796 /nfs/dbraw/zinc/24/77/96/240247796.db2.gz MQHLDXBXKQMQQW-XHDPSFHLSA-N 1 1 312.797 3.495 20 5 DGBDMO CC[C@H](NC[C@@H](C)C[NH+]1CCCC1)c1cccc([N+](=O)[O-])c1 ZINC000171141307 432105460 /nfs/dbraw/zinc/10/54/60/432105460.db2.gz WMNQGWBTSAMJIQ-PBHICJAKSA-N 1 1 305.422 3.367 20 5 DGBDMO CC[C@@H]1CC[N@@H+](Cc2cn(C)nc2-c2ccc([N+](=O)[O-])cc2)C1 ZINC000091929196 193127362 /nfs/dbraw/zinc/12/73/62/193127362.db2.gz MNDIQLNYEPWGOO-CYBMUJFWSA-N 1 1 314.389 3.227 20 5 DGBDMO C[C@@H]1CO[C@@H](C)C[N@@H+]1Cc1ccc(-c2ccccc2[N+](=O)[O-])o1 ZINC000092017673 193143182 /nfs/dbraw/zinc/14/31/82/193143182.db2.gz SPLOMQICKMIYIM-OLZOCXBDSA-N 1 1 316.357 3.464 20 5 DGBDMO C[C@@H]1CO[C@@H](C)C[N@H+]1Cc1ccc(-c2ccccc2[N+](=O)[O-])o1 ZINC000092017673 193143183 /nfs/dbraw/zinc/14/31/83/193143183.db2.gz SPLOMQICKMIYIM-OLZOCXBDSA-N 1 1 316.357 3.464 20 5 DGBDMO O=[N+]([O-])c1ccc([C@@H]2CCC[N@H+](CC3(O)CCCC3)C2)cc1 ZINC000451552201 241172078 /nfs/dbraw/zinc/17/20/78/241172078.db2.gz WBAWNYMZKHHHET-OAHLLOKOSA-N 1 1 304.390 3.079 20 5 DGBDMO CCn1cc([C@@H](C)[NH2+]Cc2ccc(Cl)cc2[N+](=O)[O-])cn1 ZINC000451885764 241264104 /nfs/dbraw/zinc/26/41/04/241264104.db2.gz FQXWBJDUURTJDN-SNVBAGLBSA-N 1 1 308.769 3.315 20 5 DGBDMO Cc1cc(F)ccc1[C@H]1CCC[N@H+]1CCn1cc([N+](=O)[O-])cn1 ZINC000451974535 241291626 /nfs/dbraw/zinc/29/16/26/241291626.db2.gz SNFRQCHFSZWIGN-MRXNPFEDSA-N 1 1 318.352 3.076 20 5 DGBDMO Cc1c(NC(=O)CC[N@H+]2[C@H](C)CCC2(C)C)cccc1[N+](=O)[O-] ZINC000452008411 241294999 /nfs/dbraw/zinc/29/49/99/241294999.db2.gz OYDZOJBDZWKEKM-GFCCVEGCSA-N 1 1 319.405 3.495 20 5 DGBDMO CC[C@@H](c1ccncc1)[N@@H+](C)C[C@H](O)c1cccc([N+](=O)[O-])c1 ZINC000092224474 193176922 /nfs/dbraw/zinc/17/69/22/193176922.db2.gz ZVRZUDIPJMNDNN-IRXDYDNUSA-N 1 1 315.373 3.106 20 5 DGBDMO CC[C@@H](CNC/C(C)=C\c1cccc([N+](=O)[O-])c1)[NH+]1CCCC1 ZINC000468626692 244056359 /nfs/dbraw/zinc/05/63/59/244056359.db2.gz HYKPPCANZLLOGX-HKBKRHGFSA-N 1 1 317.433 3.462 20 5 DGBDMO CCC[N@@H+](CC(=O)OCC)C/C(C)=C/c1cccc([N+](=O)[O-])c1 ZINC000470174119 244152556 /nfs/dbraw/zinc/15/25/56/244152556.db2.gz QOKIHYQSXIIDJE-GXDHUFHOSA-N 1 1 320.389 3.273 20 5 DGBDMO CCC[N@H+](CC(=O)OCC)C/C(C)=C/c1cccc([N+](=O)[O-])c1 ZINC000470174119 244152562 /nfs/dbraw/zinc/15/25/62/244152562.db2.gz QOKIHYQSXIIDJE-GXDHUFHOSA-N 1 1 320.389 3.273 20 5 DGBDMO C[C@@H]1C[C@H](O)C[N@H+]1Cc1ccc(-c2ccccc2[N+](=O)[O-])s1 ZINC000471813650 244252315 /nfs/dbraw/zinc/25/23/15/244252315.db2.gz ZVXUGUKFNNBXFA-NEPJUHHUSA-N 1 1 318.398 3.278 20 5 DGBDMO O=[N+]([O-])c1ccccc1/C=C/C[N@H+]1CCc2ccccc2[C@@H]1CO ZINC000093455273 193254360 /nfs/dbraw/zinc/25/43/60/193254360.db2.gz ARQCFXORQINSLT-MEQKGCOVSA-N 1 1 324.380 3.200 20 5 DGBDMO CC[C@@H]1COCC[N@@H+]1Cc1ccc(-c2ccc([N+](=O)[O-])cc2)o1 ZINC000120420746 284169094 /nfs/dbraw/zinc/16/90/94/284169094.db2.gz PFHDNJIZRBGTCR-CQSZACIVSA-N 1 1 316.357 3.466 20 5 DGBDMO CC[C@@H]1COCC[N@H+]1Cc1ccc(-c2ccc([N+](=O)[O-])cc2)o1 ZINC000120420746 284169098 /nfs/dbraw/zinc/16/90/98/284169098.db2.gz PFHDNJIZRBGTCR-CQSZACIVSA-N 1 1 316.357 3.466 20 5 DGBDMO Cc1ccsc1C[N@H+]1CC[C@H](Nc2ccc([N+](=O)[O-])cn2)C1 ZINC000093534405 193266062 /nfs/dbraw/zinc/26/60/62/193266062.db2.gz KHCBLMAYYFJDPB-LBPRGKRZSA-N 1 1 318.402 3.046 20 5 DGBDMO CCC[N@@H+](C)C[C@H]1CCN(Cc2ccc(C)c([N+](=O)[O-])c2)C1 ZINC000093742100 193298175 /nfs/dbraw/zinc/29/81/75/193298175.db2.gz BNRBFSXPHXXKPU-MRXNPFEDSA-N 1 1 305.422 3.067 20 5 DGBDMO C[C@]1(c2ccccc2)C[N@H+](Cc2ccc([N+](=O)[O-])cc2)CCO1 ZINC000121224424 284191690 /nfs/dbraw/zinc/19/16/90/284191690.db2.gz KFQVHGCXNHNJTC-GOSISDBHSA-N 1 1 312.369 3.342 20 5 DGBDMO C[C@]1(c2ccccc2)C[N@@H+](Cc2ccc([N+](=O)[O-])cc2)CCO1 ZINC000121224424 284191694 /nfs/dbraw/zinc/19/16/94/284191694.db2.gz KFQVHGCXNHNJTC-GOSISDBHSA-N 1 1 312.369 3.342 20 5 DGBDMO COCC[N@@H+](Cc1ccc([N+](=O)[O-])cc1F)[C@H]1CCC[C@H]1C ZINC000488059538 245141357 /nfs/dbraw/zinc/14/13/57/245141357.db2.gz BYILMPXJJSMNBS-WBMJQRKESA-N 1 1 310.369 3.371 20 5 DGBDMO C[C@@H](C1CCCCC1)[N@@H+](C)Cc1ccc(C(N)=O)cc1[N+](=O)[O-] ZINC000282519536 217057835 /nfs/dbraw/zinc/05/78/35/217057835.db2.gz SYKIPMYRCYVIQF-LBPRGKRZSA-N 1 1 319.405 3.094 20 5 DGBDMO COCc1ccc(C[N@@H+](C)CCc2cccc([N+](=O)[O-])c2)o1 ZINC000282814011 217268766 /nfs/dbraw/zinc/26/87/66/217268766.db2.gz ADNHLNDEUMWOGG-UHFFFAOYSA-N 1 1 304.346 3.009 20 5 DGBDMO CC(C)n1cc(C[N@@H+](C)CCc2cccc([N+](=O)[O-])c2)cn1 ZINC000282973855 217360840 /nfs/dbraw/zinc/36/08/40/217360840.db2.gz IVOYFYLLCMTGEZ-UHFFFAOYSA-N 1 1 302.378 3.047 20 5 DGBDMO Cc1cc(C2CC[NH+](Cc3ccc([N+](=O)[O-])c(F)c3)CC2)[nH]n1 ZINC000282985906 217371001 /nfs/dbraw/zinc/37/10/01/217371001.db2.gz DSGPNJPBJAUBCD-UHFFFAOYSA-N 1 1 318.352 3.145 20 5 DGBDMO Cc1cc(C2CC[NH+](Cc3ccc([N+](=O)[O-])c(F)c3)CC2)n[nH]1 ZINC000282985906 217371004 /nfs/dbraw/zinc/37/10/04/217371004.db2.gz DSGPNJPBJAUBCD-UHFFFAOYSA-N 1 1 318.352 3.145 20 5 DGBDMO CCOCC[N@@H+](C)Cc1ccc(-c2ccccc2[N+](=O)[O-])o1 ZINC000181491421 432131993 /nfs/dbraw/zinc/13/19/93/432131993.db2.gz HACOGSYZDBGUOB-UHFFFAOYSA-N 1 1 304.346 3.323 20 5 DGBDMO CC[C@H]1CCCC[N@H+]1CC(=O)Nc1cc([N+](=O)[O-])ccc1C ZINC000023991315 182371547 /nfs/dbraw/zinc/37/15/47/182371547.db2.gz YJHTVKJUNUQFQE-ZDUSSCGKSA-N 1 1 305.378 3.106 20 5 DGBDMO C[N@@H+]1CC=C(CNc2ccc([N+](=O)[O-])cc2C(F)(F)F)CC1 ZINC000273990287 211246948 /nfs/dbraw/zinc/24/69/48/211246948.db2.gz ROKLMGKBJXQYQL-UHFFFAOYSA-N 1 1 315.295 3.287 20 5 DGBDMO O=[N+]([O-])c1ccc(CC[N@H+]2CCCC[C@H]2c2cc[nH]n2)cc1 ZINC000285317624 218379331 /nfs/dbraw/zinc/37/93/31/218379331.db2.gz IRGODPKZFWNKRA-INIZCTEOSA-N 1 1 300.362 3.088 20 5 DGBDMO C[C@@H]1C[C@@H](Nc2ccc([N+](=O)[O-])c3cccnc23)CC[N@H+]1C ZINC000336853242 253007583 /nfs/dbraw/zinc/00/75/83/253007583.db2.gz FYDZAXIFNNKISS-NEPJUHHUSA-N 1 1 300.362 3.038 20 5 DGBDMO CC(C)(C)[C@@H]1CCC[N@H+]1CCC(=O)Nc1ccccc1[N+](=O)[O-] ZINC000337240769 253068389 /nfs/dbraw/zinc/06/83/89/253068389.db2.gz FNRRKOSHPZNMOG-HNNXBMFYSA-N 1 1 319.405 3.434 20 5 DGBDMO Cc1ccc2nc(C[N@@H+](C)CCc3cccc([N+](=O)[O-])c3)cn2c1 ZINC000338380643 253277742 /nfs/dbraw/zinc/27/77/42/253277742.db2.gz MGLLUZPJSSEUOM-UHFFFAOYSA-N 1 1 324.384 3.225 20 5 DGBDMO O=[N+]([O-])c1ccc(C[N@H+]2CC3(CCC3)[C@H]2[C@@H]2CCCO2)cc1 ZINC000289638556 285112124 /nfs/dbraw/zinc/11/21/24/285112124.db2.gz SFXWVVUXBBZFKH-JKSUJKDBSA-N 1 1 302.374 3.128 20 5 DGBDMO O=[N+]([O-])c1ccc([O-])cc1C[N@H+]1CC[C@@H](c2cccc(F)c2)C1 ZINC000338962424 253379876 /nfs/dbraw/zinc/37/98/76/253379876.db2.gz HDOGWLHLHISQJL-CYBMUJFWSA-N 1 1 316.332 3.429 20 5 DGBDMO O=[N+]([O-])c1ccc([O-])cc1CN1CC[C@@H](c2cccc(F)c2)C1 ZINC000338962424 253379880 /nfs/dbraw/zinc/37/98/80/253379880.db2.gz HDOGWLHLHISQJL-CYBMUJFWSA-N 1 1 316.332 3.429 20 5 DGBDMO CO[C@@H]1[C@H]2C[C@H]3C[N@@H+](Cc4cc([N+](=O)[O-])ccc4Cl)[C@H]1[C@H]3C2 ZINC000286510279 219026863 /nfs/dbraw/zinc/02/68/63/219026863.db2.gz MUHCZPSUAKKJRE-VSGLDEAGSA-N 1 1 322.792 3.103 20 5 DGBDMO CC[C@@H]([NH2+]Cc1c([N+](=O)[O-])ncn1C)c1cccc(Cl)c1 ZINC000341273423 253778364 /nfs/dbraw/zinc/77/83/64/253778364.db2.gz BOKQTACRSQKSFN-GFCCVEGCSA-N 1 1 308.769 3.223 20 5 DGBDMO Cn1cc(Cl)cc1C[N@@H+](C)CCOc1ccc([N+](=O)[O-])cc1 ZINC000120278266 195134770 /nfs/dbraw/zinc/13/47/70/195134770.db2.gz QJMMRDUNHCTNDZ-UHFFFAOYSA-N 1 1 323.780 3.098 20 5 DGBDMO O=[N+]([O-])c1cccc(F)c1N1CC[C@@H]2[C@@H](CCC[N@H+]2C2CC2)C1 ZINC000286357479 285156473 /nfs/dbraw/zinc/15/64/73/285156473.db2.gz WXGNTCJHSKIWJP-SWLSCSKDSA-N 1 1 319.380 3.187 20 5 DGBDMO O=[N+]([O-])c1ccccc1C[N@@H+]1CCC[C@@H]1C[C@H](O)c1ccco1 ZINC000151936273 285160199 /nfs/dbraw/zinc/16/01/99/285160199.db2.gz NEIIVNYPBMWVPH-ZBFHGGJFSA-N 1 1 316.357 3.276 20 5 DGBDMO O=[N+]([O-])c1ccccc1N1CC[C@@H]2[C@@H](CCC[N@H+]2C2CC2)C1 ZINC000269414147 285163923 /nfs/dbraw/zinc/16/39/23/285163923.db2.gz JWSBEVAVVZJCII-DZGCQCFKSA-N 1 1 301.390 3.048 20 5 DGBDMO CC(=O)c1cc(NC[C@H]2[N@@H+](C)CCCC2(C)C)ccc1[N+](=O)[O-] ZINC000343051282 254091384 /nfs/dbraw/zinc/09/13/84/254091384.db2.gz FZKOQGFHNRJZTF-MRXNPFEDSA-N 1 1 319.405 3.330 20 5 DGBDMO C[C@H](C(=O)Nc1ccc([N+](=O)[O-])cc1)[N@@H+](C)C[C@H]1CC=CCC1 ZINC000344054587 254218959 /nfs/dbraw/zinc/21/89/59/254218959.db2.gz JGQYTADDWSYSKP-KGLIPLIRSA-N 1 1 317.389 3.210 20 5 DGBDMO C[C@@H](C(=O)Nc1ccccc1[N+](=O)[O-])[N@H+]1C[C@H](C)CC(C)(C)C1 ZINC000344066163 254220092 /nfs/dbraw/zinc/22/00/92/254220092.db2.gz PTDZOSRBZPCUCG-OLZOCXBDSA-N 1 1 319.405 3.290 20 5 DGBDMO CCC[N@@H+](C)C[C@H]1CCN(C/C=C\c2ccccc2[N+](=O)[O-])C1 ZINC000255848690 285182201 /nfs/dbraw/zinc/18/22/01/285182201.db2.gz VKMRFIZLRIGSPS-QKIRZYONSA-N 1 1 317.433 3.272 20 5 DGBDMO CC[C@@H]1CC[C@H](C)[N@H+]1Cc1nc(-c2cccc([N+](=O)[O-])c2)no1 ZINC000271562756 209016684 /nfs/dbraw/zinc/01/66/84/209016684.db2.gz PWIQAHYBEBHBBX-WCQYABFASA-N 1 1 316.361 3.408 20 5 DGBDMO CCC[C@H]1CCC[N@@H+](Cc2cc([N+](=O)[O-])cc3c2OCOC3)C1 ZINC000120932837 195266179 /nfs/dbraw/zinc/26/61/79/195266179.db2.gz UFBCFJVOUYXYHC-ZDUSSCGKSA-N 1 1 320.389 3.473 20 5 DGBDMO O=[N+]([O-])c1ccc(CC[N@H+]2CC3(CCC3)[C@H]2[C@@H]2CCCO2)cc1 ZINC000289661884 221137261 /nfs/dbraw/zinc/13/72/61/221137261.db2.gz UJQJMLCJZHETET-DLBZAZTESA-N 1 1 316.401 3.171 20 5 DGBDMO CO[C@@H](C)C[N@H+](C)Cc1csc(-c2cccc([N+](=O)[O-])c2)n1 ZINC000289941785 221330818 /nfs/dbraw/zinc/33/08/18/221330818.db2.gz YHFTXLYMQZEMFV-NSHDSACASA-N 1 1 321.402 3.185 20 5 DGBDMO CO[C@@H](C)C[N@@H+](C)Cc1csc(-c2cccc([N+](=O)[O-])c2)n1 ZINC000289941785 221330821 /nfs/dbraw/zinc/33/08/21/221330821.db2.gz YHFTXLYMQZEMFV-NSHDSACASA-N 1 1 321.402 3.185 20 5 DGBDMO CO[C@H](C)C[N@H+](C)Cc1csc(-c2cccc([N+](=O)[O-])c2)n1 ZINC000289941779 221331303 /nfs/dbraw/zinc/33/13/03/221331303.db2.gz YHFTXLYMQZEMFV-LLVKDONJSA-N 1 1 321.402 3.185 20 5 DGBDMO CO[C@H](C)C[N@@H+](C)Cc1csc(-c2cccc([N+](=O)[O-])c2)n1 ZINC000289941779 221331306 /nfs/dbraw/zinc/33/13/06/221331306.db2.gz YHFTXLYMQZEMFV-LLVKDONJSA-N 1 1 321.402 3.185 20 5 DGBDMO COCc1cc([N+](=O)[O-])ccc1NCCC[N@H+]1CCCC[C@@H]1C ZINC000353451435 285358707 /nfs/dbraw/zinc/35/87/07/285358707.db2.gz XAKYLCHYBLGJAP-AWEZNQCLSA-N 1 1 321.421 3.418 20 5 DGBDMO C/C(=C/c1cccc([N+](=O)[O-])c1)C[N@@H+]1C[C@H](C)OC(C)(C)C1 ZINC000470179194 533382957 /nfs/dbraw/zinc/38/29/57/533382957.db2.gz UDCDELSQIFBUJQ-MQJVFOOVSA-N 1 1 304.390 3.497 20 5 DGBDMO C/C(=C\c1cccc([N+](=O)[O-])c1)C[N@@H+]1CCC[C@@H]1C[C@H](C)O ZINC000470183037 533406743 /nfs/dbraw/zinc/40/67/43/533406743.db2.gz OXPAOKPWAPDTQT-POPWGMBXSA-N 1 1 304.390 3.233 20 5 DGBDMO CO[C@@H]1CC[N@@H+](CCCOc2ccc([N+](=O)[O-])cc2)CC1(C)C ZINC000295860603 533414453 /nfs/dbraw/zinc/41/44/53/533414453.db2.gz FBKSQDLWQSZWHI-MRXNPFEDSA-N 1 1 322.405 3.111 20 5 DGBDMO C[C@@H]([NH2+][C@@H](C)c1cc2n(n1)CCC2)c1cccc([N+](=O)[O-])c1 ZINC000414071856 533502104 /nfs/dbraw/zinc/50/21/04/533502104.db2.gz MAMGTMROBQLBOF-NEPJUHHUSA-N 1 1 300.362 3.149 20 5 DGBDMO C[C@@H]1C[C@@H](Nc2nccc3ccc([N+](=O)[O-])cc32)C[N@H+]1C1CC1 ZINC000413187546 533663791 /nfs/dbraw/zinc/66/37/91/533663791.db2.gz RNKICHPOAWDGQB-DGCLKSJQSA-N 1 1 312.373 3.180 20 5 DGBDMO COc1cc([N+](=O)[O-])ccc1[C@H](C)[NH2+]Cc1ccc(C)c(C)n1 ZINC000595052010 400090282 /nfs/dbraw/zinc/09/02/82/400090282.db2.gz PJBHSYAYPBLYTO-ZDUSSCGKSA-N 1 1 315.373 3.466 20 5 DGBDMO Cc1c([C@@H](C)N[C@H]2CC[N@H+](C(C)(C)C)C2)cccc1[N+](=O)[O-] ZINC000595057532 400094192 /nfs/dbraw/zinc/09/41/92/400094192.db2.gz ZIVMICHOUHALGF-KGLIPLIRSA-N 1 1 305.422 3.427 20 5 DGBDMO Cc1c([C@@H](C)[NH2+][C@H]2CCN(C(C)(C)C)C2)cccc1[N+](=O)[O-] ZINC000595057532 400094197 /nfs/dbraw/zinc/09/41/97/400094197.db2.gz ZIVMICHOUHALGF-KGLIPLIRSA-N 1 1 305.422 3.427 20 5 DGBDMO CC[C@@H](C)CC[NH2+][C@@H](c1nccn1C)c1cccc([N+](=O)[O-])c1 ZINC000595072601 400098776 /nfs/dbraw/zinc/09/87/76/400098776.db2.gz HZESGSGTRHTWDG-CZUORRHYSA-N 1 1 316.405 3.444 20 5 DGBDMO C[C@@H]([NH2+][C@@H]1CCCCc2ccc([N+](=O)[O-])cc21)c1nccn1C ZINC000595105355 400107659 /nfs/dbraw/zinc/10/76/59/400107659.db2.gz DTBXGPUULMWRIT-MLGOLLRUSA-N 1 1 314.389 3.447 20 5 DGBDMO O=[N+]([O-])c1cc(F)ccc1C[N@@H+]1CCCC[C@@H]1[C@H]1CCC[C@@H]1O ZINC000595510036 400173590 /nfs/dbraw/zinc/17/35/90/400173590.db2.gz JHLPXTGSQZTRCZ-INMHGKMJSA-N 1 1 322.380 3.249 20 5 DGBDMO Cc1noc(C[N@@H+]2C[C@@H](c3ccc(F)cc3)C[C@H]2C)c1[N+](=O)[O-] ZINC000595323499 400127164 /nfs/dbraw/zinc/12/71/64/400127164.db2.gz YXIVVWAECQBRKT-MFKMUULPSA-N 1 1 319.336 3.408 20 5 DGBDMO CCOCCC[N@H+]1CC[C@@H](Nc2ccc([N+](=O)[O-])cc2)[C@@H](C)C1 ZINC000609671493 400185859 /nfs/dbraw/zinc/18/58/59/400185859.db2.gz XEQMVVDKJPIXPN-WMLDXEAASA-N 1 1 321.421 3.144 20 5 DGBDMO CCC[N@H+]1CC[C@H](CNc2ccc([N+](=O)[O-])c(OCC)c2)C1 ZINC000092621873 400187243 /nfs/dbraw/zinc/18/72/43/400187243.db2.gz AFZSGEBPQBOBJY-CYBMUJFWSA-N 1 1 307.394 3.137 20 5 DGBDMO Cc1noc(C[N@H+]2CC[C@@](C)(c3ccc(F)cc3)C2)c1[N+](=O)[O-] ZINC000595475846 400162623 /nfs/dbraw/zinc/16/26/23/400162623.db2.gz PHVUHNFFHFXQIH-MRXNPFEDSA-N 1 1 319.336 3.194 20 5 DGBDMO COc1ccc(C[N@@H+](C)Cc2cccc([N+](=O)[O-])c2)cc1OC ZINC000015298002 400163450 /nfs/dbraw/zinc/16/34/50/400163450.db2.gz YYGKPEMGZWDLQL-UHFFFAOYSA-N 1 1 316.357 3.244 20 5 DGBDMO C[C@H](CNc1ccc([N+](=O)[O-])c2cccnc12)[N@@H+](C)C1CC1 ZINC000092649562 400188145 /nfs/dbraw/zinc/18/81/45/400188145.db2.gz WIMWLVBMWANALN-LLVKDONJSA-N 1 1 300.362 3.038 20 5 DGBDMO C[C@]12CC[N@H+](Cc3ccc(F)cc3[N+](=O)[O-])C[C@H]1C2(F)F ZINC000595499818 400168999 /nfs/dbraw/zinc/16/89/99/400168999.db2.gz ONEDEBSGUIQZEI-OLZOCXBDSA-N 1 1 300.280 3.211 20 5 DGBDMO C[C@]12CC[N@@H+](Cc3ccc(F)cc3[N+](=O)[O-])C[C@H]1C2(F)F ZINC000595499818 400169001 /nfs/dbraw/zinc/16/90/01/400169001.db2.gz ONEDEBSGUIQZEI-OLZOCXBDSA-N 1 1 300.280 3.211 20 5 DGBDMO CCc1ccc([C@@H]2CC[N@@H+](Cc3onc(C)c3[N+](=O)[O-])C2)cc1 ZINC000595503446 400170971 /nfs/dbraw/zinc/17/09/71/400170971.db2.gz VPEZVAUCMZBJPF-OAHLLOKOSA-N 1 1 315.373 3.443 20 5 DGBDMO Cc1ccc([N+](=O)[O-])cc1[C@@H](C)[N@@H+]1C[C@]2(C)COC[C@]2(C)C1 ZINC000595687491 400227368 /nfs/dbraw/zinc/22/73/68/400227368.db2.gz AUYZTVGMCQAPAE-XYPHTWIQSA-N 1 1 304.390 3.323 20 5 DGBDMO C[C@@H](c1ccccc1[N+](=O)[O-])[N@H+]1CCC[C@H](c2cc[nH]n2)C1 ZINC000610248001 400229245 /nfs/dbraw/zinc/22/92/45/400229245.db2.gz BSOASNNCLPUSGK-STQMWFEESA-N 1 1 300.362 3.259 20 5 DGBDMO C[C@H](c1ccccc1[N+](=O)[O-])[N@H+]1CCC[C@H](c2cc[nH]n2)C1 ZINC000610247999 400229455 /nfs/dbraw/zinc/22/94/55/400229455.db2.gz BSOASNNCLPUSGK-OLZOCXBDSA-N 1 1 300.362 3.259 20 5 DGBDMO COc1cc(NCC[NH+]2Cc3ccccc3C2)ccc1[N+](=O)[O-] ZINC000610274543 400230874 /nfs/dbraw/zinc/23/08/74/400230874.db2.gz AAXKVFORIIEUNH-UHFFFAOYSA-N 1 1 313.357 3.031 20 5 DGBDMO Cc1noc(C[NH2+][C@@H]2C[C@H](OC(C)(C)C)C23CCC3)c1[N+](=O)[O-] ZINC000595777832 400256445 /nfs/dbraw/zinc/25/64/45/400256445.db2.gz KNLVOLKFIQEZGG-OLZOCXBDSA-N 1 1 323.393 3.107 20 5 DGBDMO C[C@H]1C[N@@H+](Cc2cn(C)nc2-c2ccc([N+](=O)[O-])cc2)C[C@H]1C ZINC000093503328 400247980 /nfs/dbraw/zinc/24/79/80/400247980.db2.gz KOCSIJRUNJBSLE-BETUJISGSA-N 1 1 314.389 3.083 20 5 DGBDMO O=[N+]([O-])c1ccc2oc(C[N@H+]3CCC[C@H](CCF)C3)nc2c1 ZINC000595755758 400251011 /nfs/dbraw/zinc/25/10/11/400251011.db2.gz PSXROCQXUQRRAJ-LLVKDONJSA-N 1 1 307.325 3.308 20 5 DGBDMO O=[N+]([O-])c1cc(F)ccc1NCC[NH+]1Cc2ccccc2C1 ZINC000068321575 400251764 /nfs/dbraw/zinc/25/17/64/400251764.db2.gz DQTYSRWJRLAODH-UHFFFAOYSA-N 1 1 301.321 3.162 20 5 DGBDMO O=[N+]([O-])c1ccc2[nH+]ccc(N3CCC[C@H](CCO)CC3)c2c1 ZINC000601176981 400257215 /nfs/dbraw/zinc/25/72/15/400257215.db2.gz OUOKXBFVJLUGCP-ZDUSSCGKSA-N 1 1 315.373 3.132 20 5 DGBDMO O=[N+]([O-])c1ccc(-c2nnc(C[N@@H+]3C[C@@H]4CCCC[C@@H]43)o2)cc1 ZINC000595562079 400189964 /nfs/dbraw/zinc/18/99/64/400189964.db2.gz MOGAZRGWDFXUSP-JSGCOSHPSA-N 1 1 314.345 3.019 20 5 DGBDMO O=[N+]([O-])c1ccc(-c2nnc(C[N@H+]3C[C@@H]4CCCC[C@@H]43)o2)cc1 ZINC000595562079 400189969 /nfs/dbraw/zinc/18/99/69/400189969.db2.gz MOGAZRGWDFXUSP-JSGCOSHPSA-N 1 1 314.345 3.019 20 5 DGBDMO CC(C)[C@@H]1CN(c2cc[nH+]c3ccc([N+](=O)[O-])cc32)CCCO1 ZINC000601170263 400255186 /nfs/dbraw/zinc/25/51/86/400255186.db2.gz ZNPQEGJCRLRXKE-KRWDZBQOSA-N 1 1 315.373 3.394 20 5 DGBDMO O=[N+]([O-])c1ccc(C(F)(F)F)c(C[N@@H+]2CC[C@H]3C[C@H]3C2)c1 ZINC000595812769 400267099 /nfs/dbraw/zinc/26/70/99/400267099.db2.gz YRCFZRVEIHTOOT-UWVGGRQHSA-N 1 1 300.280 3.455 20 5 DGBDMO O=[N+]([O-])c1ccc(C(F)(F)F)c(C[N@H+]2CC[C@H]3C[C@H]3C2)c1 ZINC000595812769 400267103 /nfs/dbraw/zinc/26/71/03/400267103.db2.gz YRCFZRVEIHTOOT-UWVGGRQHSA-N 1 1 300.280 3.455 20 5 DGBDMO CC1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1nc2cc([N+](=O)[O-])ccc2[nH]1 ZINC000595856434 400281881 /nfs/dbraw/zinc/28/18/81/400281881.db2.gz CIZLPIINMQBMGS-YOGCLGLASA-N 1 1 300.362 3.234 20 5 DGBDMO CC[C@@H]1CCC[C@H](C)[N@H+]1CC(=O)N(C)c1ccc([N+](=O)[O-])cc1 ZINC000595867453 400283803 /nfs/dbraw/zinc/28/38/03/400283803.db2.gz NPSLGGFZHPKXRI-UONOGXRCSA-N 1 1 319.405 3.211 20 5 DGBDMO O=[N+]([O-])c1ccc(C[N@@H+]2C[C@]34COC[C@@]3(C2)CCCC4)c(F)c1 ZINC000595911653 400293809 /nfs/dbraw/zinc/29/38/09/400293809.db2.gz VEFFOYZTESFCID-CALCHBBNSA-N 1 1 320.364 3.127 20 5 DGBDMO COc1cc(NC[C@H](C)[N@@H+](C)C2CC2)c(Cl)cc1[N+](=O)[O-] ZINC000596111042 400319602 /nfs/dbraw/zinc/31/96/02/400319602.db2.gz VNERMTOWAXXUDT-VIFPVBQESA-N 1 1 313.785 3.151 20 5 DGBDMO O=[N+]([O-])c1ccc(C[N@@H+]2CCc3ccc(O)cc3CC2)c(F)c1 ZINC000610481042 400262597 /nfs/dbraw/zinc/26/25/97/400262597.db2.gz LQQFVKHNYJOIFH-UHFFFAOYSA-N 1 1 316.332 3.040 20 5 DGBDMO CC(C)(C)[N@H+]1CC[C@@H](Nc2ccc([N+](=O)[O-])c3cnccc23)C1 ZINC000596336639 400384732 /nfs/dbraw/zinc/38/47/32/400384732.db2.gz QYFPXXYMMOYQPM-GFCCVEGCSA-N 1 1 314.389 3.428 20 5 DGBDMO COc1ccc([N+](=O)[O-])cc1OC[C@@H]1CCCC[N@H+]1C(C)C ZINC000596242378 400358345 /nfs/dbraw/zinc/35/83/45/400358345.db2.gz PDYAJNYQYWKCSI-AWEZNQCLSA-N 1 1 308.378 3.245 20 5 DGBDMO COC[C@@H]1CCC[N@@H+]1Cc1cc([N+](=O)[O-])ccc1C(F)(F)F ZINC000590161284 400364307 /nfs/dbraw/zinc/36/43/07/400364307.db2.gz SNVSBBIJRMLVNH-LBPRGKRZSA-N 1 1 318.295 3.224 20 5 DGBDMO COC[C@@H]1CCC[N@H+]1Cc1cc([N+](=O)[O-])ccc1C(F)(F)F ZINC000590161284 400364308 /nfs/dbraw/zinc/36/43/08/400364308.db2.gz SNVSBBIJRMLVNH-LBPRGKRZSA-N 1 1 318.295 3.224 20 5 DGBDMO O=[N+]([O-])c1c(N[C@H]2CC[N@@H+](CC3CC3)C2)ccc2ncccc21 ZINC000112080872 400370397 /nfs/dbraw/zinc/37/03/97/400370397.db2.gz AZVUYXWIAZUYPO-ZDUSSCGKSA-N 1 1 312.373 3.039 20 5 DGBDMO C[N@@H+](Cc1cn[nH]c1)Cc1ccc(-c2cccc([N+](=O)[O-])c2)o1 ZINC000611271898 400370674 /nfs/dbraw/zinc/37/06/74/400370674.db2.gz GIHWZSQRHZXUSA-UHFFFAOYSA-N 1 1 312.329 3.210 20 5 DGBDMO C[N@H+](Cc1cn[nH]c1)Cc1ccc(-c2cccc([N+](=O)[O-])c2)o1 ZINC000611271898 400370678 /nfs/dbraw/zinc/37/06/78/400370678.db2.gz GIHWZSQRHZXUSA-UHFFFAOYSA-N 1 1 312.329 3.210 20 5 DGBDMO Cc1cccc([N+](=O)[O-])c1NC(=O)C[N@@H+]1CCC[C@@H]2CCC[C@@H]21 ZINC000072693729 400398943 /nfs/dbraw/zinc/39/89/43/400398943.db2.gz OQOIBWBRKRWTDK-KBPBESRZSA-N 1 1 317.389 3.106 20 5 DGBDMO Cc1cccc([N+](=O)[O-])c1NC(=O)C[N@H+]1CCC[C@@H]2CCC[C@@H]21 ZINC000072693729 400398949 /nfs/dbraw/zinc/39/89/49/400398949.db2.gz OQOIBWBRKRWTDK-KBPBESRZSA-N 1 1 317.389 3.106 20 5 DGBDMO CCCCC[N@@H+](CCO)Cc1ccc(Cl)cc1[N+](=O)[O-] ZINC000116402303 400410055 /nfs/dbraw/zinc/41/00/55/400410055.db2.gz ILDQWMMKRWBTSR-UHFFFAOYSA-N 1 1 300.786 3.233 20 5 DGBDMO CC[C@@H]1C[N@@H+](CC)CCN1c1ccc([N+](=O)[O-])c2cnccc21 ZINC000590723794 400423510 /nfs/dbraw/zinc/42/35/10/400423510.db2.gz RLHVANIOACSALK-CYBMUJFWSA-N 1 1 314.389 3.064 20 5 DGBDMO Cc1ccnc(N[C@@H]2CC[N@H+](C3CCCCC3)C2)c1[N+](=O)[O-] ZINC000596480413 400425802 /nfs/dbraw/zinc/42/58/02/400425802.db2.gz YVYXHOXJNMGMDD-CYBMUJFWSA-N 1 1 304.394 3.117 20 5 DGBDMO CC[C@H]1CCC[N@@H+](Cc2cc([N+](=O)[O-])cc3c2OCOC3)CC1 ZINC000117344884 400416215 /nfs/dbraw/zinc/41/62/15/400416215.db2.gz UVFTYRIZPBPBCA-ZDUSSCGKSA-N 1 1 320.389 3.473 20 5 DGBDMO CCC[N@@H+](C)CC(C)(C)Nc1nc2cc([N+](=O)[O-])ccc2[nH]1 ZINC000596542186 400439836 /nfs/dbraw/zinc/43/98/36/400439836.db2.gz KEASODHFGCWYCT-UHFFFAOYSA-N 1 1 305.382 3.003 20 5 DGBDMO CCC[N@@H+](C)CC(C)(C)NC(=O)Nc1ccc([N+](=O)[O-])cc1C ZINC000596844681 400510386 /nfs/dbraw/zinc/51/03/86/400510386.db2.gz ZBJDBXFGDIDOGT-UHFFFAOYSA-N 1 1 322.409 3.145 20 5 DGBDMO CC[N@H+](Cc1cc(Br)c([N+](=O)[O-])s1)C1CC1 ZINC000602439089 400462943 /nfs/dbraw/zinc/46/29/43/400462943.db2.gz LWGOYVAKKUXORV-UHFFFAOYSA-N 1 1 305.197 3.403 20 5 DGBDMO CC[N@@H+](Cc1cc(Br)c([N+](=O)[O-])s1)C1CC1 ZINC000602439089 400462944 /nfs/dbraw/zinc/46/29/44/400462944.db2.gz LWGOYVAKKUXORV-UHFFFAOYSA-N 1 1 305.197 3.403 20 5 DGBDMO C[C@H](C(=O)Nc1cccc([N+](=O)[O-])c1)[N@H+]1CC[C@H](C2CCC2)C1 ZINC000591061959 400480367 /nfs/dbraw/zinc/48/03/67/400480367.db2.gz PNPAEDPKKVXMBS-OCCSQVGLSA-N 1 1 317.389 3.044 20 5 DGBDMO CCCC[N@@H+](Cc1nc(-c2cccc([N+](=O)[O-])c2)no1)C1CC1 ZINC000046773578 400579773 /nfs/dbraw/zinc/57/97/73/400579773.db2.gz NJYJDFRHKMFBDJ-UHFFFAOYSA-N 1 1 316.361 3.409 20 5 DGBDMO Cc1ncc([N+](=O)[O-])n1CC[N@@H+]1CC(C)(C)[C@H]1c1cccs1 ZINC000602832585 400586796 /nfs/dbraw/zinc/58/67/96/400586796.db2.gz KDHYSJOWCRULDK-CQSZACIVSA-N 1 1 320.418 3.244 20 5 DGBDMO Cc1ncc([N+](=O)[O-])n1CC[N@H+]1CC(C)(C)[C@H]1c1cccs1 ZINC000602832585 400586799 /nfs/dbraw/zinc/58/67/99/400586799.db2.gz KDHYSJOWCRULDK-CQSZACIVSA-N 1 1 320.418 3.244 20 5 DGBDMO C/C(=C/c1cccc([N+](=O)[O-])c1)C[N@H+]1CCC[C@](O)(C2CC2)C1 ZINC000597203962 400587111 /nfs/dbraw/zinc/58/71/11/400587111.db2.gz AZIBEFYUSFTBLO-RXEWJAMOSA-N 1 1 316.401 3.235 20 5 DGBDMO C[C@@H](c1ccccc1[N+](=O)[O-])[NH+]1CCN(c2ccccc2)CC1 ZINC000144239103 400640489 /nfs/dbraw/zinc/64/04/89/400640489.db2.gz ORAGSWJDJDFIEI-HNNXBMFYSA-N 1 1 311.385 3.478 20 5 DGBDMO O=[N+]([O-])c1ccc(N[C@@H]2CCC[N@@H+](Cc3ccccc3)C2)cn1 ZINC000076685447 400667766 /nfs/dbraw/zinc/66/77/66/400667766.db2.gz VTVIBNHUJVSCHP-MRXNPFEDSA-N 1 1 312.373 3.066 20 5 DGBDMO CCn1cc(C[N@H+](Cc2cccc([N+](=O)[O-])c2)C(C)C)cn1 ZINC000593078942 400756147 /nfs/dbraw/zinc/75/61/47/400756147.db2.gz ABMYADKIXPTHRO-UHFFFAOYSA-N 1 1 302.378 3.222 20 5 DGBDMO CCn1cc(C[N@@H+](Cc2cccc([N+](=O)[O-])c2)C(C)C)cn1 ZINC000593078942 400756150 /nfs/dbraw/zinc/75/61/50/400756150.db2.gz ABMYADKIXPTHRO-UHFFFAOYSA-N 1 1 302.378 3.222 20 5 DGBDMO C[C@H]1C[C@H](Nc2ccc3cnccc3c2[N+](=O)[O-])C[N@H+]1C1CC1 ZINC000599062850 400944521 /nfs/dbraw/zinc/94/45/21/400944521.db2.gz VPOBUDASBSSWSZ-AAEUAGOBSA-N 1 1 312.373 3.180 20 5 DGBDMO Cc1ccc([C@@H](C)[NH2+]C[C@@H]2CCCC[N@H+](C)C2)cc1[N+](=O)[O-] ZINC000599069289 400949161 /nfs/dbraw/zinc/94/91/61/400949161.db2.gz FBUASXQCMCUMCV-CABCVRRESA-N 1 1 305.422 3.286 20 5 DGBDMO C[C@H](NC[C@@H]1CC[N@@H+]1C1CCCC1)c1cccc([N+](=O)[O-])c1 ZINC000599073957 400952488 /nfs/dbraw/zinc/95/24/88/400952488.db2.gz ODQQIYYFMPAQIX-GUYCJALGSA-N 1 1 303.406 3.262 20 5 DGBDMO C[C@H](C[N@H+]1CC[C@@H](Nc2ccc([N+](=O)[O-])cn2)C1)C(C)(C)C ZINC000619844460 400910197 /nfs/dbraw/zinc/91/01/97/400910197.db2.gz ASQMEFDOHLSRHI-CHWSQXEVSA-N 1 1 306.410 3.158 20 5 DGBDMO Cc1c(C[N@H+]2CCC[C@H](OC3CCC3)C2)cccc1[N+](=O)[O-] ZINC000594026110 400952794 /nfs/dbraw/zinc/95/27/94/400952794.db2.gz CWQQHOHGFRPFCD-INIZCTEOSA-N 1 1 304.390 3.437 20 5 DGBDMO O=[N+]([O-])c1ccc(C[N@@H+]2CCC[C@H](OC3CCC3)C2)c(F)c1 ZINC000594027195 400953356 /nfs/dbraw/zinc/95/33/56/400953356.db2.gz SHPREDZQTUWTBQ-HNNXBMFYSA-N 1 1 308.353 3.267 20 5 DGBDMO O=[N+]([O-])c1ccc(C[N@H+]2CCC[C@H](OC3CCC3)C2)c(F)c1 ZINC000594027195 400953360 /nfs/dbraw/zinc/95/33/60/400953360.db2.gz SHPREDZQTUWTBQ-HNNXBMFYSA-N 1 1 308.353 3.267 20 5 DGBDMO O=[N+]([O-])c1ccccc1/C=C\CNC[C@H]1CC[N@@H+]1C1CCCC1 ZINC000598998854 400925494 /nfs/dbraw/zinc/92/54/94/400925494.db2.gz JAUAYYMUIGEQNZ-XTKXOIQPSA-N 1 1 315.417 3.215 20 5 DGBDMO O=[N+]([O-])c1ccccc1/C=C\CNC[C@H]1CC[N@H+]1C1CCCC1 ZINC000598998854 400925499 /nfs/dbraw/zinc/92/54/99/400925499.db2.gz JAUAYYMUIGEQNZ-XTKXOIQPSA-N 1 1 315.417 3.215 20 5 DGBDMO O=[N+]([O-])c1c(N[C@@H]2CC[N@H+]3CCCC[C@H]23)ccc2cnccc21 ZINC000599019481 400928937 /nfs/dbraw/zinc/92/89/37/400928937.db2.gz MFSXUBXXACJEAL-GDBMZVCRSA-N 1 1 312.373 3.182 20 5 DGBDMO Cc1cc(C)c([N+](=O)[O-])c(NC[C@@H]2CC[N@H+]2C2CCCC2)n1 ZINC000599165842 400982241 /nfs/dbraw/zinc/98/22/41/400982241.db2.gz UTWBJRUXXFWRRS-AWEZNQCLSA-N 1 1 304.394 3.035 20 5 DGBDMO C[C@@H](CCNc1ccc([N+](=O)[O-])nc1)[N@@H+](C)Cc1ccccc1 ZINC000080671622 400978036 /nfs/dbraw/zinc/97/80/36/400978036.db2.gz MBAMLSOCMRVBDO-AWEZNQCLSA-N 1 1 314.389 3.312 20 5 DGBDMO CCO[C@H](C[N@@H+](Cc1cccc([N+](=O)[O-])c1)C1CC1)C1CC1 ZINC000599312910 401018559 /nfs/dbraw/zinc/01/85/59/401018559.db2.gz YTTMCCUJCCOUDL-QGZVFWFLSA-N 1 1 304.390 3.374 20 5 DGBDMO Cc1ccccc1C[N@@H+](C)CCOc1cccc([N+](=O)[O-])c1 ZINC000058562952 401060029 /nfs/dbraw/zinc/06/00/29/401060029.db2.gz XBINZWGZUJELIE-UHFFFAOYSA-N 1 1 300.358 3.414 20 5 DGBDMO C[C@H]1C[NH+](Cc2ccc(F)cc2[N+](=O)[O-])C[C@H](C)C1(F)F ZINC000599514419 401064443 /nfs/dbraw/zinc/06/44/43/401064443.db2.gz HZQUACHQHOUCRW-UWVGGRQHSA-N 1 1 302.296 3.457 20 5 DGBDMO O=[N+]([O-])c1cccc(OCC[N@H+]2CCCC(F)(F)CC2)c1 ZINC000599551895 401075428 /nfs/dbraw/zinc/07/54/28/401075428.db2.gz UEFFOKLVOZMSHD-UHFFFAOYSA-N 1 1 300.305 3.095 20 5 DGBDMO C[C@]12CCCC[C@H]1C[N@@H+]2Cc1nc2cc([N+](=O)[O-])ccc2[nH]1 ZINC000599669090 401107432 /nfs/dbraw/zinc/10/74/32/401107432.db2.gz ALTMQLJOKCDARQ-ZBEGNZNMSA-N 1 1 300.362 3.236 20 5 DGBDMO C[C@]12CCCC[C@H]1C[N@H+]2Cc1nc2cc([N+](=O)[O-])ccc2[nH]1 ZINC000599669090 401107439 /nfs/dbraw/zinc/10/74/39/401107439.db2.gz ALTMQLJOKCDARQ-ZBEGNZNMSA-N 1 1 300.362 3.236 20 5 DGBDMO C[C@H](C(=O)Nc1ccccc1[N+](=O)[O-])[N@H+]1CCCC2(CC2)CC1 ZINC000599673058 401108205 /nfs/dbraw/zinc/10/82/05/401108205.db2.gz LSIFEYURCIZSFT-CYBMUJFWSA-N 1 1 317.389 3.188 20 5 DGBDMO C[C@]12CCCC[C@H]1C[N@H+]2CCC(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000599676086 401110705 /nfs/dbraw/zinc/11/07/05/401110705.db2.gz YCXWYRWGTDVRQU-GUYCJALGSA-N 1 1 317.389 3.188 20 5 DGBDMO CSCC[C@@H](C)[N@@H+](C)Cc1nc2cc([N+](=O)[O-])ccc2o1 ZINC000083199218 401115012 /nfs/dbraw/zinc/11/50/12/401115012.db2.gz LWTIVCAUYMOBER-SNVBAGLBSA-N 1 1 309.391 3.309 20 5 DGBDMO COc1cccc(N[C@@H]2CCC[N@H+]3CCCC[C@H]23)c1[N+](=O)[O-] ZINC000594603902 401128345 /nfs/dbraw/zinc/12/83/45/401128345.db2.gz WIQZQZRGXPAYLE-TZMCWYRMSA-N 1 1 305.378 3.032 20 5 DGBDMO O=[N+]([O-])c1cnn(CC[N@H+]2CCCC[C@@H]2c2ccccc2)c1 ZINC000273841691 401141176 /nfs/dbraw/zinc/14/11/76/401141176.db2.gz JKMKBGVDWJSWRU-MRXNPFEDSA-N 1 1 300.362 3.019 20 5 DGBDMO C[C@@H]1CC(F)(F)CC[N@H+]1CCOc1ccc([N+](=O)[O-])cc1 ZINC000599624782 401094243 /nfs/dbraw/zinc/09/42/43/401094243.db2.gz YNVMSPLOZMVYRK-LLVKDONJSA-N 1 1 300.305 3.093 20 5 DGBDMO Cc1ccc(C[N@H+]2CCC[C@@H]2[C@H]2CCCC[C@H]2O)cc1[N+](=O)[O-] ZINC000281424381 401153663 /nfs/dbraw/zinc/15/36/63/401153663.db2.gz ZCIARNOGCKWANP-JFIYKMOQSA-N 1 1 318.417 3.419 20 5 DGBDMO C/C(=C/c1cccc([N+](=O)[O-])c1)C[N@H+]1CCC[C@@H](CCO)C1 ZINC000615835325 401160700 /nfs/dbraw/zinc/16/07/00/401160700.db2.gz IWEBOUKARWVKDI-LTBFUDJGSA-N 1 1 304.390 3.093 20 5 DGBDMO CC(C)(C)[N@H+]1CC[C@@H](NC/C=C/c2ccccc2[N+](=O)[O-])C1 ZINC000594956582 401206856 /nfs/dbraw/zinc/20/68/56/401206856.db2.gz LPFZTRNHZSCSOH-PMGBHYCQSA-N 1 1 303.406 3.070 20 5 DGBDMO CC(C)(C)N1CC[C@@H]([NH2+]C/C=C/c2ccccc2[N+](=O)[O-])C1 ZINC000594956582 401206860 /nfs/dbraw/zinc/20/68/60/401206860.db2.gz LPFZTRNHZSCSOH-PMGBHYCQSA-N 1 1 303.406 3.070 20 5 DGBDMO Cc1c[nH]c(C[N@@H+]2CCC[C@H](c3ccc([N+](=O)[O-])cc3)C2)n1 ZINC000600169435 401207069 /nfs/dbraw/zinc/20/70/69/401207069.db2.gz STWGXTLSGSDGLQ-AWEZNQCLSA-N 1 1 300.362 3.006 20 5 DGBDMO Cc1c[nH]c(C[N@H+]2CCC[C@H](c3ccc([N+](=O)[O-])cc3)C2)n1 ZINC000600169435 401207077 /nfs/dbraw/zinc/20/70/77/401207077.db2.gz STWGXTLSGSDGLQ-AWEZNQCLSA-N 1 1 300.362 3.006 20 5 DGBDMO Cc1ccccc1C[NH+]1CCN(c2ccc([N+](=O)[O-])s2)CC1 ZINC000064029241 401226527 /nfs/dbraw/zinc/22/65/27/401226527.db2.gz DJZLGLOPDUOPKX-UHFFFAOYSA-N 1 1 317.414 3.287 20 5 DGBDMO COc1ccc(-c2ccc(C[N@H+]3C[C@@H]4C[C@@H]4C3)o2)c([N+](=O)[O-])c1 ZINC000600192222 401217647 /nfs/dbraw/zinc/21/76/47/401217647.db2.gz PDAGXEDDNLEEGT-TXEJJXNPSA-N 1 1 314.341 3.315 20 5 DGBDMO CCC[N@@H+]1CC[C@@H](NC/C(C)=C\c2cccc([N+](=O)[O-])c2)C1 ZINC000594991919 401220653 /nfs/dbraw/zinc/22/06/53/401220653.db2.gz NKPZNWNQKZKIIA-SCOADAFUSA-N 1 1 303.406 3.072 20 5 DGBDMO CCC[N@H+]1CC[C@@H](NC/C(C)=C\c2cccc([N+](=O)[O-])c2)C1 ZINC000594991919 401220659 /nfs/dbraw/zinc/22/06/59/401220659.db2.gz NKPZNWNQKZKIIA-SCOADAFUSA-N 1 1 303.406 3.072 20 5 DGBDMO COc1cc([N+](=O)[O-])ccc1[C@H](C)[NH2+][C@H](C)CN1CCCCC1 ZINC000595008962 401229171 /nfs/dbraw/zinc/22/91/71/401229171.db2.gz WTPQWMILVKVRIT-KGLIPLIRSA-N 1 1 321.421 3.128 20 5 DGBDMO COc1cc([N+](=O)[O-])ccc1[C@H](C)[NH2+]Cc1scnc1C ZINC000595013096 401231332 /nfs/dbraw/zinc/23/13/32/401231332.db2.gz QNXQWDPWXHJATH-VIFPVBQESA-N 1 1 307.375 3.219 20 5 DGBDMO COc1cc(C[N@@H+](C)CC(C)C)c([N+](=O)[O-])cc1OC(F)F ZINC000065961980 401287963 /nfs/dbraw/zinc/28/79/63/401287963.db2.gz ZNKXAKYXPNKQIM-UHFFFAOYSA-N 1 1 318.320 3.293 20 5 DGBDMO CCC[N@H+]1CC[C@@H](CNc2ccc(C(=O)CC)cc2[N+](=O)[O-])C1 ZINC000358932182 286191082 /nfs/dbraw/zinc/19/10/82/286191082.db2.gz KOORYIZAHGLFFA-ZDUSSCGKSA-N 1 1 319.405 3.331 20 5 DGBDMO COc1cc(C[N@@H+]2CCSCC[C@H]2C)c([N+](=O)[O-])cc1F ZINC000286255762 286219682 /nfs/dbraw/zinc/21/96/82/286219682.db2.gz SMHCNXPNANVWEE-SNVBAGLBSA-N 1 1 314.382 3.070 20 5 DGBDMO COc1cc(C[N@H+]2CCSCC[C@H]2C)c([N+](=O)[O-])cc1F ZINC000286255762 286219683 /nfs/dbraw/zinc/21/96/83/286219683.db2.gz SMHCNXPNANVWEE-SNVBAGLBSA-N 1 1 314.382 3.070 20 5 DGBDMO Cc1ccc([C@H](C)N[C@@H]2CC[N@H+]3CCCC[C@H]23)cc1[N+](=O)[O-] ZINC000268799194 292247808 /nfs/dbraw/zinc/24/78/08/292247808.db2.gz XVQTXAOJKTXCFY-NUEKZKHPSA-N 1 1 303.406 3.181 20 5 DGBDMO Cc1ccc([C@H](C)[NH2+][C@@H]2CCN3CCCC[C@H]23)cc1[N+](=O)[O-] ZINC000268799194 292247809 /nfs/dbraw/zinc/24/78/09/292247809.db2.gz XVQTXAOJKTXCFY-NUEKZKHPSA-N 1 1 303.406 3.181 20 5 DGBDMO O=[N+]([O-])c1cc(C[NH+]2CCC([C@H]3CCOC3)CC2)ccc1Cl ZINC000364943344 287078115 /nfs/dbraw/zinc/07/81/15/287078115.db2.gz LDTIUPMAPFGYLJ-AWEZNQCLSA-N 1 1 324.808 3.497 20 5 DGBDMO COC[C@@H](Cc1ccccc1)[N@@H+](C)Cc1ccccc1[N+](=O)[O-] ZINC000191480357 165252555 /nfs/dbraw/zinc/25/25/55/165252555.db2.gz BWRWIWKWUWAXOA-QGZVFWFLSA-N 1 1 314.385 3.284 20 5 DGBDMO COCc1ccc(C[NH2+][C@@H](C)c2ccc(C)c([N+](=O)[O-])c2)o1 ZINC000129093358 196018349 /nfs/dbraw/zinc/01/83/49/196018349.db2.gz NCFJMDWDKFYLST-LBPRGKRZSA-N 1 1 304.346 3.493 20 5 DGBDMO C[C@]1(O)CCC[N@@H+](Cc2ccc(-c3ccc([N+](=O)[O-])cc3)o2)C1 ZINC000129458610 196050118 /nfs/dbraw/zinc/05/01/18/196050118.db2.gz AMDVZJCQLNXUFQ-KRWDZBQOSA-N 1 1 316.357 3.202 20 5 DGBDMO C[C@@]1(O)CCC[N@@H+](Cc2ccc(-c3cccc([N+](=O)[O-])c3)o2)C1 ZINC000129509868 196053668 /nfs/dbraw/zinc/05/36/68/196053668.db2.gz MFOUCYHRECWNAF-QGZVFWFLSA-N 1 1 316.357 3.202 20 5 DGBDMO CCC[N@H+]1CC[C@H](CN[C@H](C)c2cccc([N+](=O)[O-])c2C)C1 ZINC000246842962 432172098 /nfs/dbraw/zinc/17/20/98/432172098.db2.gz CFJAEFSWEFTVPU-HUUCEWRRSA-N 1 1 305.422 3.286 20 5 DGBDMO C[N@H+](Cc1ccccc1[N+](=O)[O-])C[C@@H](O)CCc1ccccc1 ZINC000182193812 432164157 /nfs/dbraw/zinc/16/41/57/432164157.db2.gz VNCVLBOSEQVSKC-KRWDZBQOSA-N 1 1 314.385 3.020 20 5 DGBDMO C[C@@H](c1ccccc1)[N@@H+](C)C[C@H](O)c1cccc([N+](=O)[O-])c1 ZINC000269686893 432196991 /nfs/dbraw/zinc/19/69/91/432196991.db2.gz GRWMZTFFLVDPBV-GUYCJALGSA-N 1 1 300.358 3.321 20 5 DGBDMO O=[N+]([O-])c1ccc(Cl)c(C[N@@H+]2CCC[C@@H](c3cc[nH]n3)C2)c1 ZINC000172176195 432201697 /nfs/dbraw/zinc/20/16/97/432201697.db2.gz SVMPYDMIADLZSS-LLVKDONJSA-N 1 1 320.780 3.351 20 5 DGBDMO O=[N+]([O-])c1ccc(Cl)c(C[N@H+]2CCC[C@@H](c3cc[nH]n3)C2)c1 ZINC000172176195 432201701 /nfs/dbraw/zinc/20/17/01/432201701.db2.gz SVMPYDMIADLZSS-LLVKDONJSA-N 1 1 320.780 3.351 20 5 DGBDMO C[C@@H](N[C@@H](C)C[N@H+]1CCC[C@@H](C)C1)c1ccc([N+](=O)[O-])cc1 ZINC000247166727 432207396 /nfs/dbraw/zinc/20/73/96/432207396.db2.gz UKVGOHOFXIBDSJ-QLFBSQMISA-N 1 1 305.422 3.366 20 5 DGBDMO C[C@@H]([NH2+][C@@H](C)CN1CCC[C@@H](C)C1)c1ccc([N+](=O)[O-])cc1 ZINC000247166727 432207399 /nfs/dbraw/zinc/20/73/99/432207399.db2.gz UKVGOHOFXIBDSJ-QLFBSQMISA-N 1 1 305.422 3.366 20 5 DGBDMO CC[N@@H+](Cc1cc([N+](=O)[O-])cc2c1OCOC2)CC(C)(C)C ZINC000291089263 222128055 /nfs/dbraw/zinc/12/80/55/222128055.db2.gz PCOWNFABGXOKPS-UHFFFAOYSA-N 1 1 308.378 3.329 20 5 DGBDMO O=[N+]([O-])c1cc(Cl)cnc1N[C@H]1CC[N@@H+](CC2CCCC2)C1 ZINC000301752614 229870466 /nfs/dbraw/zinc/87/04/66/229870466.db2.gz VPSFUZGILVHQBD-ZDUSSCGKSA-N 1 1 324.812 3.320 20 5 DGBDMO O=[N+]([O-])c1ccc2ccnc(N[C@H]3CC[N@H+]4CCC[C@H]4C3)c2c1 ZINC000413067895 230125885 /nfs/dbraw/zinc/12/58/85/230125885.db2.gz XHRLWTPXGVNCQD-KBPBESRZSA-N 1 1 312.373 3.182 20 5 DGBDMO O=[N+]([O-])c1ccc2ccnc(N[C@@H]3CC[N@H+]4CCC[C@H]4C3)c2c1 ZINC000413067897 230126041 /nfs/dbraw/zinc/12/60/41/230126041.db2.gz XHRLWTPXGVNCQD-KGLIPLIRSA-N 1 1 312.373 3.182 20 5 DGBDMO CCOC(=O)C[C@H](C)[N@@H+](C)Cc1ccc(C(C)C)c([N+](=O)[O-])c1 ZINC000346347438 264015905 /nfs/dbraw/zinc/01/59/05/264015905.db2.gz XQJHBLFNSRPYFZ-ZDUSSCGKSA-N 1 1 322.405 3.492 20 5 DGBDMO COc1cc(C[N@H+]2C[C@H](C)CC(C)(C)C2)c([N+](=O)[O-])cc1OC ZINC000346347651 264016084 /nfs/dbraw/zinc/01/60/84/264016084.db2.gz YJRBXFQJGJGWRD-GFCCVEGCSA-N 1 1 322.405 3.480 20 5 DGBDMO C[C@H]([NH3+])[C@H]1CCN(Cc2ccc(-c3ccc([N+](=O)[O-])cc3)o2)C1 ZINC000346692953 264080409 /nfs/dbraw/zinc/08/04/09/264080409.db2.gz KACPPNIGXFBDAO-JSGCOSHPSA-N 1 1 315.373 3.024 20 5 DGBDMO C[C@@H](CO)[N@@H+](Cc1ccc([N+](=O)[O-])cc1Cl)C1CCCC1 ZINC000347177424 264170605 /nfs/dbraw/zinc/17/06/05/264170605.db2.gz XEQTVYXVYAMOOR-NSHDSACASA-N 1 1 312.797 3.374 20 5 DGBDMO C[C@@H](CO)[N@@H+](Cc1ccc(Cl)cc1[N+](=O)[O-])C1CCCC1 ZINC000347183976 264171257 /nfs/dbraw/zinc/17/12/57/264171257.db2.gz AYFYIGHUEHPUHV-NSHDSACASA-N 1 1 312.797 3.374 20 5 DGBDMO COC(=O)C[C@@H]1CCC[N@H+]1C/C(C)=C/c1cccc([N+](=O)[O-])c1 ZINC000347356947 264205305 /nfs/dbraw/zinc/20/53/05/264205305.db2.gz DKWOSUDZSPACBD-GLNPCMGASA-N 1 1 318.373 3.026 20 5 DGBDMO CC[C@@H]([NH2+]Cc1c([N+](=O)[O-])ncn1C)c1ccc(Cl)s1 ZINC000347634146 264256956 /nfs/dbraw/zinc/25/69/56/264256956.db2.gz JFSDBTNSBBBMET-MRVPVSSYSA-N 1 1 314.798 3.284 20 5 DGBDMO CC[N@H+]1C[C@@H](C)N(c2nc3ccccc3cc2[N+](=O)[O-])C[C@@H]1C ZINC000352349731 265010019 /nfs/dbraw/zinc/01/00/19/265010019.db2.gz HBESUXRNUPOHND-QWHCGFSZSA-N 1 1 314.389 3.062 20 5 DGBDMO O=[N+]([O-])c1cc(F)c(C[NH2+][C@H]2CCC[C@H]2OC(F)F)c(F)c1 ZINC000352375809 265024141 /nfs/dbraw/zinc/02/41/41/265024141.db2.gz FJFJKMNCNLGCJC-NWDGAFQWSA-N 1 1 322.258 3.123 20 5 DGBDMO CC[N@H+]1CC[C@@H](N(C)Cc2ccc([N+](=O)[O-])cc2F)C[C@@H]1C ZINC000352618705 265107838 /nfs/dbraw/zinc/10/78/38/265107838.db2.gz SSLXIDAWJQAHEZ-GXTWGEPZSA-N 1 1 309.385 3.039 20 5 DGBDMO C[C@H](O)C[C@@H]1CCCCC[N@H+]1Cc1c(F)cccc1[N+](=O)[O-] ZINC000352872804 265209020 /nfs/dbraw/zinc/20/90/20/265209020.db2.gz FPAFTFMLJAHTCP-STQMWFEESA-N 1 1 310.369 3.249 20 5 DGBDMO O=[N+]([O-])c1cccc(Cl)c1C[N@@H+]1CC[C@H](COC(F)F)C1 ZINC000353020910 265268372 /nfs/dbraw/zinc/26/83/72/265268372.db2.gz BQLGFOXMSSHMJM-VIFPVBQESA-N 1 1 320.723 3.309 20 5 DGBDMO O=[N+]([O-])c1cccc(Cl)c1C[N@H+]1CC[C@H](COC(F)F)C1 ZINC000353020910 265268373 /nfs/dbraw/zinc/26/83/73/265268373.db2.gz BQLGFOXMSSHMJM-VIFPVBQESA-N 1 1 320.723 3.309 20 5 DGBDMO C[C@H](C(=O)Nc1cccc([N+](=O)[O-])c1)[N@H+]1CCCC(C)(C)C1 ZINC000353263130 265367510 /nfs/dbraw/zinc/36/75/10/265367510.db2.gz NCUDPMGPRUNNDN-GFCCVEGCSA-N 1 1 305.378 3.044 20 5 DGBDMO C[N@@H+](Cc1ccc(-c2ccccc2[N+](=O)[O-])s1)C1CC(O)C1 ZINC000355365395 266051547 /nfs/dbraw/zinc/05/15/47/266051547.db2.gz MHZBOHGFVRPYSA-UHFFFAOYSA-N 1 1 318.398 3.278 20 5 DGBDMO CCC[N@H+](Cc1c([N+](=O)[O-])ncn1C)[C@H]1CCc2ccccc21 ZINC000355544194 266110657 /nfs/dbraw/zinc/11/06/57/266110657.db2.gz MRBUESQUOPAWFV-HNNXBMFYSA-N 1 1 314.389 3.228 20 5 DGBDMO CCC[N@@H+](Cc1c([N+](=O)[O-])ncn1C)[C@H]1CCc2ccccc21 ZINC000355544194 266110661 /nfs/dbraw/zinc/11/06/61/266110661.db2.gz MRBUESQUOPAWFV-HNNXBMFYSA-N 1 1 314.389 3.228 20 5 DGBDMO C[C@H](C1CC1)[N@H+](Cc1c([N+](=O)[O-])ncn1C)Cc1ccccc1 ZINC000355804750 266191193 /nfs/dbraw/zinc/19/11/93/266191193.db2.gz UOFHTEOTTPHHOE-CYBMUJFWSA-N 1 1 314.389 3.129 20 5 DGBDMO C[C@H](C1CC1)[N@@H+](Cc1c([N+](=O)[O-])ncn1C)Cc1ccccc1 ZINC000355804750 266191196 /nfs/dbraw/zinc/19/11/96/266191196.db2.gz UOFHTEOTTPHHOE-CYBMUJFWSA-N 1 1 314.389 3.129 20 5 DGBDMO COc1ccc(OCCn2cc[nH+]c2C(C)C)c([N+](=O)[O-])c1 ZINC000182825651 432232640 /nfs/dbraw/zinc/23/26/40/432232640.db2.gz ZXIWHDBNEJPYSQ-UHFFFAOYSA-N 1 1 305.334 3.002 20 5 DGBDMO O=[N+]([O-])c1cc2ccccc2nc1N[C@@H]1CC[N@@H+](CC2CC2)C1 ZINC000616059423 425094238 /nfs/dbraw/zinc/09/42/38/425094238.db2.gz XXKYMCQULAZCSQ-CQSZACIVSA-N 1 1 312.373 3.039 20 5 DGBDMO Cc1c(NC(=O)CC[N@@H+]2CCC[C@H](C)[C@@H]2C)cccc1[N+](=O)[O-] ZINC000172862474 432241490 /nfs/dbraw/zinc/24/14/90/432241490.db2.gz RWCALBHFXNEFEL-JSGCOSHPSA-N 1 1 319.405 3.352 20 5 DGBDMO CCOCCO[C@H]1CC[N@H+]([C@H](C)c2cc([N+](=O)[O-])ccc2C)C1 ZINC000182921344 432242141 /nfs/dbraw/zinc/24/21/41/432242141.db2.gz ZMCLYUMNOXOCSN-ZBFHGGJFSA-N 1 1 322.405 3.092 20 5 DGBDMO O=[N+]([O-])c1ccccc1C[N@H+]1CCC[C@@H](C[C@H]2CCOC2)C1 ZINC000369419270 271274192 /nfs/dbraw/zinc/27/41/92/271274192.db2.gz QWLLXNFIOSCWGR-LSDHHAIUSA-N 1 1 304.390 3.233 20 5 DGBDMO O=[N+]([O-])c1ccc(N2CC[C@@H]3[C@@H](CCC[N@H+]3C3CC3)C2)cc1 ZINC000301751844 275036798 /nfs/dbraw/zinc/03/67/98/275036798.db2.gz BCVWXBGWMVVERT-SUMWQHHRSA-N 1 1 301.390 3.048 20 5 DGBDMO O=[N+]([O-])c1ccc(NC[C@@H]2CCC[N@H+]2CC2CCCCC2)nc1 ZINC000524684992 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ZINC000193080435 432447386 /nfs/dbraw/zinc/44/73/86/432447386.db2.gz CRCAUJLTJBSKJW-KRWDZBQOSA-N 1 1 320.389 3.102 20 5 DGBDMO Cc1[nH]ncc1C[NH2+][C@H]1CCC[C@@H]1Cc1ccccc1[N+](=O)[O-] ZINC000271527006 432415129 /nfs/dbraw/zinc/41/51/29/432415129.db2.gz REVBVLVRRZYFIT-CJNGLKHVSA-N 1 1 314.389 3.127 20 5 DGBDMO CC[C@@H]1CC[C@H](C)[N@H+]1Cc1cc([N+](=O)[O-])cc2c1OCOC2 ZINC000271532719 432417232 /nfs/dbraw/zinc/41/72/32/432417232.db2.gz MNUJFCAODJJRDG-SMDDNHRTSA-N 1 1 306.362 3.224 20 5 DGBDMO COCC[C@@H]([NH2+]Cc1ccc(OC)c([N+](=O)[O-])c1)c1ccco1 ZINC000272406627 432495984 /nfs/dbraw/zinc/49/59/84/432495984.db2.gz BMFWXELCVYCXRG-CYBMUJFWSA-N 1 1 320.345 3.064 20 5 DGBDMO CC[N@@H+](C)C[C@@H]1CCN(Cc2ccc(Cl)c([N+](=O)[O-])c2)C1 ZINC000154074638 432470044 /nfs/dbraw/zinc/47/00/44/432470044.db2.gz UOSLQNOFMLGYKF-ZDUSSCGKSA-N 1 1 311.813 3.022 20 5 DGBDMO C[C@@H]([NH2+]Cc1csc([N+](=O)[O-])c1)[C@@H](c1ccccc1)N(C)C ZINC000185676176 432522307 /nfs/dbraw/zinc/52/23/07/432522307.db2.gz IWDNEHLHLCVRNJ-WBMJQRKESA-N 1 1 319.430 3.437 20 5 DGBDMO C[C@@H](C1CC1)[N@@H+](CCn1cc([N+](=O)[O-])cn1)Cc1ccccc1 ZINC000157645062 432627401 /nfs/dbraw/zinc/62/74/01/432627401.db2.gz AZFTYTLNDNJSLO-AWEZNQCLSA-N 1 1 314.389 3.092 20 5 DGBDMO COC[C@@H]([NH2+]C/C=C/c1ccccc1[N+](=O)[O-])c1ccco1 ZINC000177576162 432637483 /nfs/dbraw/zinc/63/74/83/432637483.db2.gz RSVLFVFXGQZLAB-BTKRWWFXSA-N 1 1 302.330 3.178 20 5 DGBDMO C[C@H]1CCCC[N@H+]1C[C@@H]1CCCN(c2ccc([N+](=O)[O-])cn2)C1 ZINC000265056674 432666260 /nfs/dbraw/zinc/66/62/60/432666260.db2.gz MFZMMZYBRNAQKT-GJZGRUSLSA-N 1 1 318.421 3.081 20 5 DGBDMO CC(=O)c1ccc(NC[C@H]2CC[N@H+](CC(C)C)C2)c([N+](=O)[O-])c1 ZINC000268278625 432860978 /nfs/dbraw/zinc/86/09/78/432860978.db2.gz VWHAZVQBXHRMOT-CQSZACIVSA-N 1 1 319.405 3.187 20 5 DGBDMO Cc1nc2sccn2c1C[N@@H+](C)Cc1ccc([N+](=O)[O-])cc1 ZINC000268300357 432862512 /nfs/dbraw/zinc/86/25/12/432862512.db2.gz WUAUJQUELSFODZ-UHFFFAOYSA-N 1 1 316.386 3.244 20 5 DGBDMO Cc1nc2sccn2c1C[N@H+](C)Cc1ccc([N+](=O)[O-])cc1 ZINC000268300357 432862514 /nfs/dbraw/zinc/86/25/14/432862514.db2.gz WUAUJQUELSFODZ-UHFFFAOYSA-N 1 1 316.386 3.244 20 5 DGBDMO O=[N+]([O-])c1ccccc1/C=C/C[N@H+]1CC[C@@H]2OCCC[C@H]2C1 ZINC000245692013 432856998 /nfs/dbraw/zinc/85/69/98/432856998.db2.gz BOLWEYMMRHIGTO-WZNJSSNCSA-N 1 1 302.374 3.109 20 5 DGBDMO Cc1cccc([N+](=O)[O-])c1NC(=O)C[N@H+](C)[C@H]1CCCC[C@H]1C ZINC000330657432 432922615 /nfs/dbraw/zinc/92/26/15/432922615.db2.gz OIHQQEUHFMMHGH-OCCSQVGLSA-N 1 1 319.405 3.352 20 5 DGBDMO CCOc1cc(C[N@H+]2CCS[C@@H](C)[C@H]2C)ccc1[N+](=O)[O-] ZINC000331170454 432933161 /nfs/dbraw/zinc/93/31/61/432933161.db2.gz NZFHRXJYHSBVAY-NEPJUHHUSA-N 1 1 310.419 3.319 20 5 DGBDMO Cc1cccc([N+](=O)[O-])c1NC(=O)C[N@H+]1CCC[C@H]1C(C)(C)C ZINC000330617488 432920378 /nfs/dbraw/zinc/92/03/78/432920378.db2.gz GBIAYMNDJCBFMP-AWEZNQCLSA-N 1 1 319.405 3.352 20 5 DGBDMO C[C@H]1CC(C)(C)C[N@H+]1Cc1cc([N+](=O)[O-])cc2c1OCOC2 ZINC000332045659 432968942 /nfs/dbraw/zinc/96/89/42/432968942.db2.gz LPUXUZKZPXJZOJ-NSHDSACASA-N 1 1 306.362 3.082 20 5 DGBDMO CC1(C)C[C@H](O)CC[N@H+](Cc2ccc(Cl)cc2[N+](=O)[O-])C1 ZINC000332206308 432985813 /nfs/dbraw/zinc/98/58/13/432985813.db2.gz DXJKPLFVHAJVIS-CYBMUJFWSA-N 1 1 312.797 3.231 20 5 DGBDMO CC1(C)C[C@H](O)CC[N@@H+](Cc2ccc(Cl)cc2[N+](=O)[O-])C1 ZINC000332206308 432985816 /nfs/dbraw/zinc/98/58/16/432985816.db2.gz DXJKPLFVHAJVIS-CYBMUJFWSA-N 1 1 312.797 3.231 20 5 DGBDMO Cc1ccc([C@@H](C)[NH2+]Cc2cnc([C@@H](C)O)s2)cc1[N+](=O)[O-] ZINC000290209938 433013610 /nfs/dbraw/zinc/01/36/10/433013610.db2.gz DSRCZYJTCQRWOX-GHMZBOCLSA-N 1 1 321.402 3.264 20 5 DGBDMO O=[N+]([O-])c1ccc2c(c1)C[N@@H+](CCOc1cccc(F)c1)CC2 ZINC000446737684 433096342 /nfs/dbraw/zinc/09/63/42/433096342.db2.gz YOBXYTIODIMQFO-UHFFFAOYSA-N 1 1 316.332 3.171 20 5 DGBDMO O=[N+]([O-])c1ccc2c(c1)C[N@H+](CCOc1cccc(F)c1)CC2 ZINC000446737684 433096351 /nfs/dbraw/zinc/09/63/51/433096351.db2.gz YOBXYTIODIMQFO-UHFFFAOYSA-N 1 1 316.332 3.171 20 5 DGBDMO CC(=O)c1cc(NC[C@@H](C)[N@H+]2CCC[C@H](C)C2)ccc1[N+](=O)[O-] ZINC000341540088 433123023 /nfs/dbraw/zinc/12/30/23/433123023.db2.gz YSSNBYRVTLDUNB-QWHCGFSZSA-N 1 1 319.405 3.330 20 5 DGBDMO CCC[C@]1(CO)CCC[N@H+]1C/C=C\c1ccccc1[N+](=O)[O-] ZINC000446904456 433126678 /nfs/dbraw/zinc/12/66/78/433126678.db2.gz APPPSUPKOXIYAV-CTEOGUNLSA-N 1 1 304.390 3.235 20 5 DGBDMO Cc1c(NC(=O)CC[N@H+]2CCC(C)=C(C)C2)cccc1[N+](=O)[O-] ZINC000280742299 433157059 /nfs/dbraw/zinc/15/70/59/433157059.db2.gz MLISNUAFGOKTDE-UHFFFAOYSA-N 1 1 317.389 3.274 20 5 DGBDMO CC(C)C[N@H+](Cc1cnn(C)c1)Cc1ccc([N+](=O)[O-])cc1F ZINC000453605692 433234707 /nfs/dbraw/zinc/23/47/07/433234707.db2.gz CCGKQBUYQANXCD-UHFFFAOYSA-N 1 1 320.368 3.126 20 5 DGBDMO CC(C)C[N@@H+](Cc1cnn(C)c1)Cc1ccc([N+](=O)[O-])cc1F ZINC000453605692 433234717 /nfs/dbraw/zinc/23/47/17/433234717.db2.gz CCGKQBUYQANXCD-UHFFFAOYSA-N 1 1 320.368 3.126 20 5 DGBDMO O=[N+]([O-])c1ccc(C[N@H+]2CC[C@H]([C@H]3CCOC3)C2)c(Cl)c1 ZINC000374715940 433262386 /nfs/dbraw/zinc/26/23/86/433262386.db2.gz OIKVDYFWUPLIAL-AAEUAGOBSA-N 1 1 310.781 3.107 20 5 DGBDMO Cc1cnc(NC[C@@H]2CCC[N@H+](CC(C)C)C2)c([N+](=O)[O-])c1 ZINC000448061977 433360503 /nfs/dbraw/zinc/36/05/03/433360503.db2.gz ZQCXLGGCUDVTCE-AWEZNQCLSA-N 1 1 306.410 3.078 20 5 DGBDMO O=[N+]([O-])c1ccc(C[N@@H+]2CCC[C@H](CCO)CC2)c(Cl)c1 ZINC000421012049 433386976 /nfs/dbraw/zinc/38/69/76/433386976.db2.gz HXFBIBUQIMASCA-LBPRGKRZSA-N 1 1 312.797 3.233 20 5 DGBDMO Cc1ccc([C@@H](C)[NH2+][C@@H](C)c2cc3n(n2)CCC3)cc1[N+](=O)[O-] ZINC000414089966 433389640 /nfs/dbraw/zinc/38/96/40/433389640.db2.gz KKRXTLAWOIPEGY-OLZOCXBDSA-N 1 1 314.389 3.458 20 5 DGBDMO CC[N@@H+](CCC1CC1)Cc1nc(-c2ccc([N+](=O)[O-])cc2)no1 ZINC000355062482 433444470 /nfs/dbraw/zinc/44/44/70/433444470.db2.gz JSMWMJBDOSPQPL-UHFFFAOYSA-N 1 1 316.361 3.267 20 5 DGBDMO C[C@H](c1cc2ccccc2o1)[N@@H+](C)CCn1ccc([N+](=O)[O-])n1 ZINC000176203382 290217145 /nfs/dbraw/zinc/21/71/45/290217145.db2.gz ZKJAYVGXVYOFSH-GFCCVEGCSA-N 1 1 314.345 3.231 20 5 DGBDMO CCC[N@H+]1CC[C@H](CNc2ccc3ncccc3c2[N+](=O)[O-])C1 ZINC000301256360 433473653 /nfs/dbraw/zinc/47/36/53/433473653.db2.gz TXKJMXPVJBDLAB-CYBMUJFWSA-N 1 1 314.389 3.287 20 5 DGBDMO Cc1cc([N+](=O)[O-])ccc1C[N@@H+](CCO)Cc1cccc(F)c1 ZINC000426381651 433482766 /nfs/dbraw/zinc/48/27/66/433482766.db2.gz OBMIBQBNQQGULW-UHFFFAOYSA-N 1 1 318.348 3.037 20 5 DGBDMO COc1ccnc(C[NH2+]C(C)(C)c2ccccc2[N+](=O)[O-])c1 ZINC000292207085 433506198 /nfs/dbraw/zinc/50/61/98/433506198.db2.gz SXCPKJWALPGXRS-UHFFFAOYSA-N 1 1 301.346 3.023 20 5 DGBDMO Cc1cc([N+](=O)[O-])ccc1NCC(C)(C)[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000301438864 433558698 /nfs/dbraw/zinc/55/86/98/433558698.db2.gz LMNFQALPUOBJDY-OKILXGFUSA-N 1 1 321.421 3.203 20 5 DGBDMO COC[C@H]([NH2+]Cc1ccc([N+](=O)[O-])cc1)c1ccc(F)cc1 ZINC000342340087 433624318 /nfs/dbraw/zinc/62/43/18/433624318.db2.gz PBSCJCCJHYPZCU-INIZCTEOSA-N 1 1 304.321 3.211 20 5 DGBDMO CCn1nc(C)c(C[N@@H+](C)CCc2cccc([N+](=O)[O-])c2)c1C ZINC000283131141 433675218 /nfs/dbraw/zinc/67/52/18/433675218.db2.gz WAASZYYBWWRKTF-UHFFFAOYSA-N 1 1 316.405 3.103 20 5 DGBDMO CC(C)c1ccc(C(=O)N[C@H](C)C[N@H+](C)C(C)C)cc1[N+](=O)[O-] ZINC000356771834 433687548 /nfs/dbraw/zinc/68/75/48/433687548.db2.gz NWQCODCGSPYXAE-CYBMUJFWSA-N 1 1 321.421 3.177 20 5 DGBDMO O=[N+]([O-])c1ccc(C[NH+]2CCC(OCC3CC3)CC2)cc1F ZINC000367284612 293047962 /nfs/dbraw/zinc/04/79/62/293047962.db2.gz DUALHPSGQPJELV-UHFFFAOYSA-N 1 1 308.353 3.125 20 5 DGBDMO C[C@H](CNc1ncc(Cl)cc1[N+](=O)[O-])[N@H+]1CCC[C@@H](C)C1 ZINC000301731532 433699792 /nfs/dbraw/zinc/69/97/92/433699792.db2.gz DWWHQXRVIKJLAG-GHMZBOCLSA-N 1 1 312.801 3.176 20 5 DGBDMO Cc1ccc(C[N@H+]2CC[C@@H](C3CCOCC3)C2)cc1[N+](=O)[O-] ZINC000370724115 293186614 /nfs/dbraw/zinc/18/66/14/293186614.db2.gz XAVDVMUYVNACFE-MRXNPFEDSA-N 1 1 304.390 3.152 20 5 DGBDMO C[C@@H]1C[C@@H](c2ccccc2)CC[N@H+]1Cc1c([N+](=O)[O-])ncn1C ZINC000374157413 293359685 /nfs/dbraw/zinc/35/96/85/293359685.db2.gz AKXVSYPCVWSGJF-HIFRSBDPSA-N 1 1 314.389 3.096 20 5 DGBDMO C[C@@H](C(=O)Nc1ccccc1[N+](=O)[O-])[N@H+]1CC[C@H](CC2CC2)C1 ZINC000339676658 433726935 /nfs/dbraw/zinc/72/69/35/433726935.db2.gz XSALMKKCIXUMMW-GXTWGEPZSA-N 1 1 317.389 3.044 20 5 DGBDMO C[C@@H]1COCC[N@@H+](Cc2ccc(-c3cccc([N+](=O)[O-])c3)o2)C1 ZINC000376495861 433758054 /nfs/dbraw/zinc/75/80/54/433758054.db2.gz RRDXCLUBLGETKM-ZDUSSCGKSA-N 1 1 316.357 3.323 20 5 DGBDMO C[C@@H]1C[N@@H+](CCc2ncc(-c3cccc([N+](=O)[O-])c3)o2)[C@H]1C ZINC000293503224 433760980 /nfs/dbraw/zinc/76/09/80/433760980.db2.gz UPKFFBUWEVHGBO-NEPJUHHUSA-N 1 1 301.346 3.133 20 5 DGBDMO C[C@@H](C(=O)Nc1ccccc1[N+](=O)[O-])[N@H+]1CC[C@@H](CC2CC2)C1 ZINC000339676659 433722750 /nfs/dbraw/zinc/72/27/50/433722750.db2.gz XSALMKKCIXUMMW-JSGCOSHPSA-N 1 1 317.389 3.044 20 5 DGBDMO CC[C@H]1[C@H](C)CC[N@H+]1CCC(=O)Nc1ccccc1[N+](=O)[O-] ZINC000283427362 433724582 /nfs/dbraw/zinc/72/45/82/433724582.db2.gz WQCDPFIBJIZNHK-OCCSQVGLSA-N 1 1 305.378 3.044 20 5 DGBDMO CCSCC[C@H](C)[N@@H+](C)CCOc1ccccc1[N+](=O)[O-] ZINC000362449682 433724805 /nfs/dbraw/zinc/72/48/05/433724805.db2.gz IBRDGHVQAMQEJP-ZDUSSCGKSA-N 1 1 312.435 3.437 20 5 DGBDMO CCc1nocc1C[N@H+](C)C/C=C/c1ccccc1[N+](=O)[O-] ZINC000293535681 433774616 /nfs/dbraw/zinc/77/46/16/433774616.db2.gz CGZMZPSILGASCD-SOFGYWHQSA-N 1 1 301.346 3.290 20 5 DGBDMO CCc1nocc1C[N@@H+](C)C/C=C/c1ccccc1[N+](=O)[O-] ZINC000293535681 433774619 /nfs/dbraw/zinc/77/46/19/433774619.db2.gz CGZMZPSILGASCD-SOFGYWHQSA-N 1 1 301.346 3.290 20 5 DGBDMO C[C@H]1CC[C@@H]([N@@H+](C)Cc2cc([N+](=O)[O-])cc3c2OCOC3)C1 ZINC000429573258 433778359 /nfs/dbraw/zinc/77/83/59/433778359.db2.gz YSYISLOUCSKUQQ-SMDDNHRTSA-N 1 1 306.362 3.082 20 5 DGBDMO O=[N+]([O-])c1ccsc1NCC[N@@H+]1CCc2ccccc2C1 ZINC000301924108 433797374 /nfs/dbraw/zinc/79/73/74/433797374.db2.gz GAYRSLTXZJJGCQ-UHFFFAOYSA-N 1 1 303.387 3.127 20 5 DGBDMO O=[N+]([O-])c1ccsc1NCC[N@H+]1CCc2ccccc2C1 ZINC000301924108 433797386 /nfs/dbraw/zinc/79/73/86/433797386.db2.gz GAYRSLTXZJJGCQ-UHFFFAOYSA-N 1 1 303.387 3.127 20 5 DGBDMO CC(C)[N@H+]1CC[C@H](N(C)Cc2ccc([N+](=O)[O-])cc2Cl)C1 ZINC000449784977 433799359 /nfs/dbraw/zinc/79/93/59/433799359.db2.gz DEFFRQFWSAVDMM-AWEZNQCLSA-N 1 1 311.813 3.163 20 5 DGBDMO C[N@@H+](Cc1ccccc1)C1CN(c2c(F)cccc2[N+](=O)[O-])C1 ZINC000343618067 433819361 /nfs/dbraw/zinc/81/93/61/433819361.db2.gz CCIYRORKJYZMPX-UHFFFAOYSA-N 1 1 315.348 3.055 20 5 DGBDMO COC[C@H]([NH2+][C@H](C)c1ccc(N)c([N+](=O)[O-])c1)c1ccc(C)o1 ZINC000284090931 433832239 /nfs/dbraw/zinc/83/22/39/433832239.db2.gz MGJATTAUJXPBBP-RISCZKNCSA-N 1 1 319.361 3.117 20 5 DGBDMO CCN(CC)CC[NH2+][C@@H]1CC(C)(C)c2ccc([N+](=O)[O-])cc21 ZINC000433152178 433840733 /nfs/dbraw/zinc/84/07/33/433840733.db2.gz QFLMSJKTGQLOOY-MRXNPFEDSA-N 1 1 305.422 3.249 20 5 DGBDMO C[C@H](CCN(C)C)[NH2+][C@@H]1CC(C)(C)c2ccc([N+](=O)[O-])cc21 ZINC000433166121 433844641 /nfs/dbraw/zinc/84/46/41/433844641.db2.gz WWNFJNXMXHBWHS-MLGOLLRUSA-N 1 1 305.422 3.247 20 5 DGBDMO COc1cc([N+](=O)[O-])ccc1C[N@@H+]1CCC(F)(F)[C@H](C)C1 ZINC000351996723 433844981 /nfs/dbraw/zinc/84/49/81/433844981.db2.gz PMTFNKHCTVPRCO-SNVBAGLBSA-N 1 1 300.305 3.081 20 5 DGBDMO COc1cc([N+](=O)[O-])ccc1C[N@H+]1CCC(F)(F)[C@H](C)C1 ZINC000351996723 433844995 /nfs/dbraw/zinc/84/49/95/433844995.db2.gz PMTFNKHCTVPRCO-SNVBAGLBSA-N 1 1 300.305 3.081 20 5 DGBDMO Cc1cccc(OCC[N@H+](C)Cc2ccc([N+](=O)[O-])cc2)c1 ZINC000302805372 433866740 /nfs/dbraw/zinc/86/67/40/433866740.db2.gz MBGSILBVVMIDIL-UHFFFAOYSA-N 1 1 300.358 3.414 20 5 DGBDMO Cc1cc([N+](=O)[O-])cc(Cl)c1N1CC[C@@H]([NH+]2CC=CC2)C1 ZINC000302810457 433868815 /nfs/dbraw/zinc/86/88/15/433868815.db2.gz GVNHDRMWEYAXSG-GFCCVEGCSA-N 1 1 307.781 3.007 20 5 DGBDMO O=[N+]([O-])c1ccn(CC[N@H+]2CCC[C@H]2CCC2CCCC2)n1 ZINC000362954353 433922627 /nfs/dbraw/zinc/92/26/27/433922627.db2.gz JVUUKLKGFSNBGJ-HNNXBMFYSA-N 1 1 306.410 3.226 20 5 DGBDMO Cc1c(NC(=O)CC[N@H+]2CCC[C@H]2C2CC2)cccc1[N+](=O)[O-] ZINC000363385325 434039042 /nfs/dbraw/zinc/03/90/42/434039042.db2.gz XMLBNBSBPDIBNU-INIZCTEOSA-N 1 1 317.389 3.106 20 5 DGBDMO COc1ccncc1C[NH2+][C@H](C)c1cccc([N+](=O)[O-])c1C ZINC000294098046 433995167 /nfs/dbraw/zinc/99/51/67/433995167.db2.gz JFUGVFIWURLOCV-GFCCVEGCSA-N 1 1 301.346 3.158 20 5 DGBDMO CC(C)n1cncc1C[NH2+]C(C)(C)c1ccccc1[N+](=O)[O-] ZINC000424167343 293917583 /nfs/dbraw/zinc/91/75/83/293917583.db2.gz DNIGUYNZLUNSAQ-UHFFFAOYSA-N 1 1 302.378 3.397 20 5 DGBDMO C[C@H]1C[N@@H+](Cc2ccccc2)CCN1c1ccccc1[N+](=O)[O-] ZINC000309671828 434098314 /nfs/dbraw/zinc/09/83/14/434098314.db2.gz TWMBRJCEAAEMGH-HNNXBMFYSA-N 1 1 311.385 3.306 20 5 DGBDMO CC(C)C[C@@H]1COCC[N@H+]1CCCOc1ccc([N+](=O)[O-])cc1 ZINC000506239961 294266914 /nfs/dbraw/zinc/26/69/14/294266914.db2.gz GTLFVLZWUAHZEC-MRXNPFEDSA-N 1 1 322.405 3.111 20 5 DGBDMO CC(C)c1ccc(CN2CC[N@@H+](C)CC[C@H]2C)cc1[N+](=O)[O-] ZINC000353450624 434141642 /nfs/dbraw/zinc/14/16/42/434141642.db2.gz UREJQLOTQHNSMN-CQSZACIVSA-N 1 1 305.422 3.244 20 5 DGBDMO C[C@H]([N@@H+](C)Cc1cc(Cl)cc(Cl)c1[N+](=O)[O-])C(C)(C)O ZINC000295075277 434180945 /nfs/dbraw/zinc/18/09/45/434180945.db2.gz CYIGDEKUNITWFC-QMMMGPOBSA-N 1 1 321.204 3.493 20 5 DGBDMO CCOc1cc(N[C@H]2CC[N@H+]3CCC[C@H]3C2)ccc1[N+](=O)[O-] ZINC000317108013 434196188 /nfs/dbraw/zinc/19/61/88/434196188.db2.gz BXXCWDJNEDQLMR-KBPBESRZSA-N 1 1 305.378 3.032 20 5 DGBDMO CC[C@H](CO)[N@@H+](C)Cc1ccc(-c2ccc([N+](=O)[O-])cc2)o1 ZINC000295104683 434200629 /nfs/dbraw/zinc/20/06/29/434200629.db2.gz KWPUESJAROIDKD-CYBMUJFWSA-N 1 1 304.346 3.058 20 5 DGBDMO COC[C@@H]1CCCC[N@@H+](Cc2ccc(Cl)cc2[N+](=O)[O-])C1 ZINC000364175613 434253611 /nfs/dbraw/zinc/25/36/11/434253611.db2.gz NRXNKJVOPVABDT-GFCCVEGCSA-N 1 1 312.797 3.497 20 5 DGBDMO Cn1ccnc1[C@H]([NH2+]CCC1(C)CC1)c1cccc([N+](=O)[O-])c1 ZINC000353598412 434259911 /nfs/dbraw/zinc/25/99/11/434259911.db2.gz VPUFGLFJTMVGOI-OAHLLOKOSA-N 1 1 314.389 3.198 20 5 DGBDMO C[C@H](O)C[C@H]1CCCCC[N@H+]1CCc1ccc([N+](=O)[O-])cc1 ZINC000319298139 434222449 /nfs/dbraw/zinc/22/24/49/434222449.db2.gz OJEZETPVQQVSSA-WMLDXEAASA-N 1 1 306.406 3.153 20 5 DGBDMO CC[C@@H]1CCC[N@H+]1CCC(=O)Nc1cc([N+](=O)[O-])ccc1C ZINC000340674257 434286306 /nfs/dbraw/zinc/28/63/06/434286306.db2.gz FFJUIRUILAMDAH-CYBMUJFWSA-N 1 1 305.378 3.106 20 5 DGBDMO CCn1ccc(C[NH2+][C@@H]2CCCCc3ccc([N+](=O)[O-])cc32)n1 ZINC000417328508 434358421 /nfs/dbraw/zinc/35/84/21/434358421.db2.gz CFMOOOMERMPJLG-QGZVFWFLSA-N 1 1 314.389 3.369 20 5 DGBDMO CO[C@H](C)C[N@@H+](C)Cc1ccc(-c2ccccc2[N+](=O)[O-])o1 ZINC000348835621 434517751 /nfs/dbraw/zinc/51/77/51/434517751.db2.gz AHGFEFCOVCIIRX-GFCCVEGCSA-N 1 1 304.346 3.322 20 5 DGBDMO C[C@@H]1Cc2c([nH+]cn2CCOc2ccc([N+](=O)[O-])cc2)C[C@@H]1C ZINC000450994837 434522857 /nfs/dbraw/zinc/52/28/57/434522857.db2.gz DMLLBOUEARYSAI-QWHCGFSZSA-N 1 1 315.373 3.241 20 5 DGBDMO COc1cc([N+](=O)[O-])ccc1Cn1c[nH+]c2c1C[C@H](C)[C@@H](C)C2 ZINC000450997500 434525747 /nfs/dbraw/zinc/52/57/47/434525747.db2.gz IRKRRWUDCLUXBM-RYUDHWBXSA-N 1 1 315.373 3.219 20 5 DGBDMO COc1ccc(C[N@@H+](C)[C@H]2C[C@@](C)(OC)C2(C)C)cc1[N+](=O)[O-] ZINC000353933508 434532838 /nfs/dbraw/zinc/53/28/38/434532838.db2.gz NKIXSMWOALIFRQ-DOTOQJQBSA-N 1 1 322.405 3.239 20 5 DGBDMO COc1ccc(C[N@@H+](C)[C@H]2C[C@](C)(OC)C2(C)C)cc1[N+](=O)[O-] ZINC000353933510 434536049 /nfs/dbraw/zinc/53/60/49/434536049.db2.gz NKIXSMWOALIFRQ-RDJZCZTQSA-N 1 1 322.405 3.239 20 5 DGBDMO CC(C)(CNC/C=C/c1ccccc1[N+](=O)[O-])C[NH+]1CCCC1 ZINC000360181233 434541329 /nfs/dbraw/zinc/54/13/29/434541329.db2.gz PXQRQTSDXIKKET-VQHVLOKHSA-N 1 1 317.433 3.320 20 5 DGBDMO C[C@H](C(=O)Nc1ccccc1[N+](=O)[O-])[N@@H+]1CC[C@@H](C)C(C)(C)C1 ZINC000354014992 434578297 /nfs/dbraw/zinc/57/82/97/434578297.db2.gz POKJMLBMUPMQTP-CHWSQXEVSA-N 1 1 319.405 3.290 20 5 DGBDMO C[C@H](C(=O)Nc1ccccc1[N+](=O)[O-])[N@H+]1CC[C@@H](C)C(C)(C)C1 ZINC000354014992 434578303 /nfs/dbraw/zinc/57/83/03/434578303.db2.gz POKJMLBMUPMQTP-CHWSQXEVSA-N 1 1 319.405 3.290 20 5 DGBDMO C[N@@H+](CCc1cccc(Nc2ncc([N+](=O)[O-])s2)c1)C1CC1 ZINC000409729794 434619280 /nfs/dbraw/zinc/61/92/80/434619280.db2.gz UBXLUKLINHACLW-UHFFFAOYSA-N 1 1 318.402 3.432 20 5 DGBDMO Cn1cnc([N+](=O)[O-])c1C[N@@H+](C)[C@@H]1CCC[C@H]1c1ccccc1 ZINC000459681459 434663023 /nfs/dbraw/zinc/66/30/23/434663023.db2.gz XDLOYPMBSIIQLP-LSDHHAIUSA-N 1 1 314.389 3.096 20 5 DGBDMO CCO[C@H]1C[C@H]([N@H+](C)Cc2c(F)cccc2[N+](=O)[O-])C1(C)C ZINC000354224710 434677204 /nfs/dbraw/zinc/67/72/04/434677204.db2.gz OUSYZACQGXRWCN-GJZGRUSLSA-N 1 1 310.369 3.369 20 5 DGBDMO CCO[C@H]1C[C@H]([N@@H+](C)Cc2c(F)cccc2[N+](=O)[O-])C1(C)C ZINC000354224710 434677211 /nfs/dbraw/zinc/67/72/11/434677211.db2.gz OUSYZACQGXRWCN-GJZGRUSLSA-N 1 1 310.369 3.369 20 5 DGBDMO O=[N+]([O-])c1ccc2[nH]c(C[N@@H+]3CCCc4ccccc4C3)nc2c1 ZINC000360725492 434678177 /nfs/dbraw/zinc/67/81/77/434678177.db2.gz LEGSKPRZXFNGPK-UHFFFAOYSA-N 1 1 322.368 3.420 20 5 DGBDMO O=[N+]([O-])c1ccc2[nH]c(C[N@H+]3CCCc4ccccc4C3)nc2c1 ZINC000360725492 434678181 /nfs/dbraw/zinc/67/81/81/434678181.db2.gz LEGSKPRZXFNGPK-UHFFFAOYSA-N 1 1 322.368 3.420 20 5 DGBDMO C[C@@H]1CC[N@@H+](Cc2ccc(-c3cccc([N+](=O)[O-])c3)o2)C[C@H]1O ZINC000349350884 434685871 /nfs/dbraw/zinc/68/58/71/434685871.db2.gz PMJHCONZVCHQML-MLGOLLRUSA-N 1 1 316.357 3.058 20 5 DGBDMO C[C@H]1CC[N@@H+](Cc2ccc(-c3cccc([N+](=O)[O-])c3)o2)C[C@@H]1O ZINC000349350882 434687116 /nfs/dbraw/zinc/68/71/16/434687116.db2.gz PMJHCONZVCHQML-LRDDRELGSA-N 1 1 316.357 3.058 20 5 DGBDMO O=C(CC[N@H+]1CCC[C@@H]1C1CCC1)Nc1ccc([N+](=O)[O-])cc1 ZINC000411232827 434749674 /nfs/dbraw/zinc/74/96/74/434749674.db2.gz TVYPOBXMVLCQIG-MRXNPFEDSA-N 1 1 317.389 3.188 20 5 DGBDMO C[C@H](C[N@H+](C)Cc1csc([N+](=O)[O-])c1)C(=O)OC(C)(C)C ZINC000459776146 434717208 /nfs/dbraw/zinc/71/72/08/434717208.db2.gz RAIFQLAEYXORAN-SNVBAGLBSA-N 1 1 314.407 3.066 20 5 DGBDMO C[C@H](C[N@@H+](C)Cc1csc([N+](=O)[O-])c1)C(=O)OC(C)(C)C ZINC000459776146 434717214 /nfs/dbraw/zinc/71/72/14/434717214.db2.gz RAIFQLAEYXORAN-SNVBAGLBSA-N 1 1 314.407 3.066 20 5 DGBDMO C[N@@H+](CCOc1ccc(F)cc1[N+](=O)[O-])Cc1ccccc1 ZINC000418861755 434722993 /nfs/dbraw/zinc/72/29/93/434722993.db2.gz HDGLZJSOWGVRKE-UHFFFAOYSA-N 1 1 304.321 3.245 20 5 DGBDMO Cc1c(C[N@@H+]2CC(C)(C)O[C@@H]3CCC[C@H]32)cccc1[N+](=O)[O-] ZINC000440966109 434760702 /nfs/dbraw/zinc/76/07/02/434760702.db2.gz UCLJIRTUCLZQPA-HZPDHXFCSA-N 1 1 304.390 3.435 20 5 DGBDMO Cc1c(C[N@H+]2CC(C)(C)O[C@@H]3CCC[C@H]32)cccc1[N+](=O)[O-] ZINC000440966109 434760709 /nfs/dbraw/zinc/76/07/09/434760709.db2.gz UCLJIRTUCLZQPA-HZPDHXFCSA-N 1 1 304.390 3.435 20 5 DGBDMO CC(C)c1ccc(CN2CC[N@@H+](C)[C@H](C)[C@H]2C)cc1[N+](=O)[O-] ZINC000361168360 434820873 /nfs/dbraw/zinc/82/08/73/434820873.db2.gz SISGJSIQKRZVNE-ZIAGYGMSSA-N 1 1 305.422 3.243 20 5 DGBDMO O=[N+]([O-])c1ccc([C@@H]2CCC[N@@H+](CCc3cncs3)C2)cc1 ZINC000411797135 434831556 /nfs/dbraw/zinc/83/15/56/434831556.db2.gz WMJMVXHRXQSNLS-CQSZACIVSA-N 1 1 317.414 3.473 20 5 DGBDMO Cc1cccc([C@@H]2CCC[N@@H+]2Cc2c([N+](=O)[O-])ncn2C)c1C ZINC000372704468 434848764 /nfs/dbraw/zinc/84/87/64/434848764.db2.gz RPCMGTMHBMDXGE-HNNXBMFYSA-N 1 1 314.389 3.282 20 5 DGBDMO COc1ccc([N+](=O)[O-])c(NCCC[N@@H+]2C[C@H](C)C[C@H](C)C2)c1 ZINC000462775944 434927049 /nfs/dbraw/zinc/92/70/49/434927049.db2.gz MHYZZSABFJHRCM-OKILXGFUSA-N 1 1 321.421 3.383 20 5 DGBDMO O=[N+]([O-])c1cccc2c1CC[C@@H]2[N@H+]1CCC[C@]2(CCOC2)C1 ZINC000573815501 434927621 /nfs/dbraw/zinc/92/76/21/434927621.db2.gz RKTHXDRICYAUJO-RDJZCZTQSA-N 1 1 302.374 3.085 20 5 DGBDMO O=[N+]([O-])c1cccc(Cl)c1C[N@H+]1CCC[C@@H]([C@@H]2CCOC2)C1 ZINC000492175881 434931162 /nfs/dbraw/zinc/93/11/62/434931162.db2.gz NVTVMZGGXZXJJK-CHWSQXEVSA-N 1 1 324.808 3.497 20 5 DGBDMO CCC[C@@H]1CCC[N@H+]([C@H](C)C(=O)Nc2ccccc2[N+](=O)[O-])C1 ZINC000466489264 435077414 /nfs/dbraw/zinc/07/74/14/435077414.db2.gz AJHGAGAMHMURIX-ZIAGYGMSSA-N 1 1 319.405 3.434 20 5 DGBDMO CC[C@@H]1C[C@@H](C)C[N@H+]1Cc1nc(-c2cccc([N+](=O)[O-])c2)no1 ZINC000466928546 435101930 /nfs/dbraw/zinc/10/19/30/435101930.db2.gz FIRGWNVBWITAKU-DGCLKSJQSA-N 1 1 316.361 3.265 20 5 DGBDMO C[C@H](C1CCCCC1)[N@@H+](C)CC(=O)Nc1ccccc1[N+](=O)[O-] ZINC000558733548 435110212 /nfs/dbraw/zinc/11/02/12/435110212.db2.gz GGFDBQXLMYHVSA-CYBMUJFWSA-N 1 1 319.405 3.434 20 5 DGBDMO CO[C@@H](C)C[N@H+](Cc1c(Cl)cccc1[N+](=O)[O-])C(C)C ZINC000493252379 435135384 /nfs/dbraw/zinc/13/53/84/435135384.db2.gz HCKDMQAISRNAEB-NSHDSACASA-N 1 1 300.786 3.494 20 5 DGBDMO CO[C@@H](C)C[N@@H+](Cc1c(Cl)cccc1[N+](=O)[O-])C(C)C ZINC000493252379 435135386 /nfs/dbraw/zinc/13/53/86/435135386.db2.gz HCKDMQAISRNAEB-NSHDSACASA-N 1 1 300.786 3.494 20 5 DGBDMO COc1ccc(C)cc1C[N@@H+]1CCc2ccc([N+](=O)[O-])cc2C1 ZINC000532038477 435136062 /nfs/dbraw/zinc/13/60/62/435136062.db2.gz YOOVUVRNTOEQSA-UHFFFAOYSA-N 1 1 312.369 3.470 20 5 DGBDMO COc1ccc(C)cc1C[N@H+]1CCc2ccc([N+](=O)[O-])cc2C1 ZINC000532038477 435136063 /nfs/dbraw/zinc/13/60/63/435136063.db2.gz YOOVUVRNTOEQSA-UHFFFAOYSA-N 1 1 312.369 3.470 20 5 DGBDMO C/C(=C/c1cccc([N+](=O)[O-])c1)CN[C@@H](C)C[NH+]1CCCCC1 ZINC000579854301 435187862 /nfs/dbraw/zinc/18/78/62/435187862.db2.gz UJFUZLBTZLTJRK-QZFKAFNDSA-N 1 1 317.433 3.462 20 5 DGBDMO CCC(CC)[N@@H+](CC)CCOc1ccc(OC)cc1[N+](=O)[O-] ZINC000579885271 435189962 /nfs/dbraw/zinc/18/99/62/435189962.db2.gz OIEIIOWJVCZVEO-UHFFFAOYSA-N 1 1 310.394 3.493 20 5 DGBDMO CC(C)C[C@]1(CO)CCC[N@H+]1C/C=C/c1ccccc1[N+](=O)[O-] ZINC000475377997 435194815 /nfs/dbraw/zinc/19/48/15/435194815.db2.gz CQEAPJBIKYCJSJ-MOTZXUDYSA-N 1 1 318.417 3.481 20 5 DGBDMO Cc1ccc(C[N@@H+]2CCC[C@@]2(CO)CC(C)C)cc1[N+](=O)[O-] ZINC000475383669 435195067 /nfs/dbraw/zinc/19/50/67/435195067.db2.gz WLQCFBWTBJRZCF-KRWDZBQOSA-N 1 1 306.406 3.276 20 5 DGBDMO C[N@@H+]1Cc2ccccc2[C@H](Nc2ccc(F)cc2[N+](=O)[O-])C1 ZINC000533821004 435257385 /nfs/dbraw/zinc/25/73/85/435257385.db2.gz WQNXGEZVJNZRGV-OAHLLOKOSA-N 1 1 301.321 3.333 20 5 DGBDMO C[N@H+]1Cc2ccccc2[C@@H](Nc2ccc([N+](=O)[O-])cc2F)C1 ZINC000534531042 435292261 /nfs/dbraw/zinc/29/22/61/435292261.db2.gz WDJBPDUNKXRDAQ-INIZCTEOSA-N 1 1 301.321 3.333 20 5 DGBDMO C[N@@H+]1Cc2ccccc2[C@@H](Nc2ccc([N+](=O)[O-])cc2F)C1 ZINC000534531042 435292264 /nfs/dbraw/zinc/29/22/64/435292264.db2.gz WDJBPDUNKXRDAQ-INIZCTEOSA-N 1 1 301.321 3.333 20 5 DGBDMO O=[N+]([O-])c1cccc(OCC[N@H+]2CC[C@@H]2Cc2ccccc2)c1 ZINC000479127979 435320266 /nfs/dbraw/zinc/32/02/66/435320266.db2.gz MPKDBZXWULHKHG-MRXNPFEDSA-N 1 1 312.369 3.291 20 5 DGBDMO O=[N+]([O-])c1cc(Cl)ccc1C[N@@H+]1CC[C@H](O)[C@H]2CCCC[C@@H]21 ZINC000602997467 435334090 /nfs/dbraw/zinc/33/40/90/435334090.db2.gz KUQSHNKUPAJWMA-DZKIICNBSA-N 1 1 324.808 3.374 20 5 DGBDMO C[C@@H](CN1CCCCCC1)[NH2+]C/C=C/c1ccccc1[N+](=O)[O-] ZINC000479605223 435341909 /nfs/dbraw/zinc/34/19/09/435341909.db2.gz XENLCTHZUVEMDO-DZZUKKPASA-N 1 1 317.433 3.462 20 5 DGBDMO CCC1CCC([N@@H+](C)CC(=O)Nc2ccccc2[N+](=O)[O-])CC1 ZINC000512487950 435361603 /nfs/dbraw/zinc/36/16/03/435361603.db2.gz BPTDHFDXBYNVJQ-UHFFFAOYSA-N 1 1 319.405 3.434 20 5 DGBDMO CCC(=O)c1ccc(N[C@H]2C[C@H](C)[N@H+](C3CC3)C2)c([N+](=O)[O-])c1 ZINC000480043020 435363959 /nfs/dbraw/zinc/36/39/59/435363959.db2.gz JWIYLGUIBRJQKJ-AAEUAGOBSA-N 1 1 317.389 3.225 20 5 DGBDMO C[C@H](CCN(C)C)[NH2+][C@H]1CCC[C@H]1Cc1ccccc1[N+](=O)[O-] ZINC000513789842 435401375 /nfs/dbraw/zinc/40/13/75/435401375.db2.gz ODJUVBBCKAAJHC-VYDXJSESSA-N 1 1 319.449 3.236 20 5 DGBDMO O=[N+]([O-])c1ccc2c(c1)CN(Cc1ccc3nc[nH]c3c1)CC2 ZINC000536677366 435401550 /nfs/dbraw/zinc/40/15/50/435401550.db2.gz PHHOZTWHBBXJFY-UHFFFAOYSA-N 1 1 308.341 3.029 20 5 DGBDMO O=[N+]([O-])c1ccc2c(c1)C[N@@H+](Cc1ccc3[nH]cnc3c1)CC2 ZINC000536677366 435401553 /nfs/dbraw/zinc/40/15/53/435401553.db2.gz PHHOZTWHBBXJFY-UHFFFAOYSA-N 1 1 308.341 3.029 20 5 DGBDMO O=[N+]([O-])c1ccc2c(c1)C[N@H+](Cc1ccc3[nH]cnc3c1)CC2 ZINC000536677366 435401559 /nfs/dbraw/zinc/40/15/59/435401559.db2.gz PHHOZTWHBBXJFY-UHFFFAOYSA-N 1 1 308.341 3.029 20 5 DGBDMO O=[N+]([O-])c1ccc2c(c1)C[N@@H+](Cc1ccc3nc[nH]c3c1)CC2 ZINC000536677366 435401564 /nfs/dbraw/zinc/40/15/64/435401564.db2.gz PHHOZTWHBBXJFY-UHFFFAOYSA-N 1 1 308.341 3.029 20 5 DGBDMO O=[N+]([O-])c1ccc2c(c1)C[N@H+](Cc1ccc3nc[nH]c3c1)CC2 ZINC000536677366 435401568 /nfs/dbraw/zinc/40/15/68/435401568.db2.gz PHHOZTWHBBXJFY-UHFFFAOYSA-N 1 1 308.341 3.029 20 5 DGBDMO CCC(=O)c1ccc(N[C@H]2CCC[N@@H+](C)[C@H]2C)c([N+](=O)[O-])c1 ZINC000480104803 435367391 /nfs/dbraw/zinc/36/73/91/435367391.db2.gz AYQNHXNBXAMXHL-AAEUAGOBSA-N 1 1 305.378 3.082 20 5 DGBDMO C[C@@H](N[C@@H](C)C[NH+]1CCC(C)CC1)c1cccc([N+](=O)[O-])c1 ZINC000514616144 435425166 /nfs/dbraw/zinc/42/51/66/435425166.db2.gz KNQWYAYFQKKGAG-LSDHHAIUSA-N 1 1 305.422 3.366 20 5 DGBDMO O=[N+]([O-])c1ccccc1/C=C/C[N@H+]1CCC[C@H]1C1CCOCC1 ZINC000537466409 435443516 /nfs/dbraw/zinc/44/35/16/435443516.db2.gz CBGIOSLQBDBFSH-ZVVFDCPKSA-N 1 1 316.401 3.499 20 5 DGBDMO CC(C)c1ccc(CNCC[N@H+]2CC[C@@H](C)C2)cc1[N+](=O)[O-] ZINC000540802287 435618267 /nfs/dbraw/zinc/61/82/67/435618267.db2.gz RPKILRFLZNWXIB-CQSZACIVSA-N 1 1 305.422 3.150 20 5 DGBDMO CC(C)c1ccc(C[NH2+]CCN2CC[C@@H](C)C2)cc1[N+](=O)[O-] ZINC000540802287 435618273 /nfs/dbraw/zinc/61/82/73/435618273.db2.gz RPKILRFLZNWXIB-CQSZACIVSA-N 1 1 305.422 3.150 20 5 DGBDMO O=[N+]([O-])c1ccc([C@@H]2CCC[N@H+]([C@@H]3CCCC[C@@H]3O)C2)cc1 ZINC000570670067 435640485 /nfs/dbraw/zinc/64/04/85/435640485.db2.gz DTGWJVHCJIPKHQ-OIISXLGYSA-N 1 1 304.390 3.078 20 5 DGBDMO Cc1cc(N2CC[N@H+](C)C[C@H]2c2ccccc2)ccc1[N+](=O)[O-] ZINC000301073475 301338611 /nfs/dbraw/zinc/33/86/11/301338611.db2.gz GHADLSHZIRUKSA-SFHVURJKSA-N 1 1 311.385 3.396 20 5 DGBDMO C/C(=C/c1cccc([N+](=O)[O-])c1)C[N@@H+]1CCC[C@H]([C@H](C)O)C1 ZINC000530340412 313359890 /nfs/dbraw/zinc/35/98/90/313359890.db2.gz IMJPMZCKGPWZKD-DVKXPDSUSA-N 1 1 304.390 3.091 20 5 DGBDMO C[C@@]1(CO)CCC[N@H+]1Cc1ccc(-c2ccccc2[N+](=O)[O-])o1 ZINC000530517650 313379762 /nfs/dbraw/zinc/37/97/62/313379762.db2.gz WJCHKPJBBCMRAG-KRWDZBQOSA-N 1 1 316.357 3.202 20 5 DGBDMO C[C@H](C(=O)Nc1cccc([N+](=O)[O-])c1)[N@H+]1CC[C@H](C(C)(C)C)C1 ZINC000543249556 314124045 /nfs/dbraw/zinc/12/40/45/314124045.db2.gz JPENDIZIJOGJCP-OLZOCXBDSA-N 1 1 319.405 3.290 20 5 DGBDMO CCOc1cccc(N2CCC[N@H+](C(C)(C)C)CC2)c1[N+](=O)[O-] ZINC000545159985 314228841 /nfs/dbraw/zinc/22/88/41/314228841.db2.gz GKUAJXDHGKUOSM-UHFFFAOYSA-N 1 1 321.421 3.304 20 5 DGBDMO Cc1cc([N+](=O)[O-])ccc1NC(=O)C[N@H+]1CC[C@@H](C)C(C)(C)C1 ZINC000545420175 314250557 /nfs/dbraw/zinc/25/05/57/314250557.db2.gz HJDWVNKIEVNTGV-CYBMUJFWSA-N 1 1 319.405 3.210 20 5 DGBDMO Cc1cc([N+](=O)[O-])ccc1NC(=O)C[N@@H+]1CC[C@@H](C)C(C)(C)C1 ZINC000545420175 314250560 /nfs/dbraw/zinc/25/05/60/314250560.db2.gz HJDWVNKIEVNTGV-CYBMUJFWSA-N 1 1 319.405 3.210 20 5 DGBDMO Cc1ccc([N+](=O)[O-])cc1[C@H](C)[NH2+][C@@H](CCO)c1ccco1 ZINC000545984959 314282232 /nfs/dbraw/zinc/28/22/32/314282232.db2.gz ZEJAGEQFUCDYOK-WFASDCNBSA-N 1 1 304.346 3.271 20 5 DGBDMO CCCC[N@@H+](C)C[C@H](C)NC(=O)Nc1cccc([N+](=O)[O-])c1C ZINC000564157989 315160467 /nfs/dbraw/zinc/16/04/67/315160467.db2.gz UIVSLXAQOXNAIR-LBPRGKRZSA-N 1 1 322.409 3.145 20 5 DGBDMO Cn1cc(C(C)(C)[NH2+]Cc2ccc(Cl)cc2[N+](=O)[O-])cn1 ZINC000575955671 316078777 /nfs/dbraw/zinc/07/87/77/316078777.db2.gz UWFIGMJZMWCZFU-UHFFFAOYSA-N 1 1 308.769 3.007 20 5 DGBDMO Cc1cccc(N2CCC(C[N@H+](C)C(C)C)CC2)c1[N+](=O)[O-] ZINC000577416286 316233958 /nfs/dbraw/zinc/23/39/58/316233958.db2.gz LINIHFSIRSMZNE-UHFFFAOYSA-N 1 1 305.422 3.460 20 5 DGBDMO COc1ccc(C[NH2+]Cc2ccc([N+](=O)[O-])cc2Cl)cc1O ZINC000183681599 323345520 /nfs/dbraw/zinc/34/55/20/323345520.db2.gz SEOKGJAMUNWPFB-UHFFFAOYSA-N 1 1 322.748 3.252 20 5 DGBDMO COc1ccc([N+](=O)[O-])cc1C[N@@H+]1CCC[C@H]1c1ccccn1 ZINC000582583982 324248377 /nfs/dbraw/zinc/24/83/77/324248377.db2.gz FVNNLMILEJVNTJ-INIZCTEOSA-N 1 1 313.357 3.336 20 5 DGBDMO COc1ccc([N+](=O)[O-])cc1C[N@H+]1CCC[C@H]1c1ccccn1 ZINC000582583982 324248383 /nfs/dbraw/zinc/24/83/83/324248383.db2.gz FVNNLMILEJVNTJ-INIZCTEOSA-N 1 1 313.357 3.336 20 5 DGBDMO Cc1cc(C2CC[NH+](Cc3csc([N+](=O)[O-])c3)CC2)n[nH]1 ZINC000331913719 534144468 /nfs/dbraw/zinc/14/44/68/534144468.db2.gz KTWCMOOEKNZDTG-UHFFFAOYSA-N 1 1 306.391 3.067 20 5 DGBDMO Cc1cc(C2CC[NH+](Cc3csc([N+](=O)[O-])c3)CC2)[nH]n1 ZINC000331913719 534144473 /nfs/dbraw/zinc/14/44/73/534144473.db2.gz KTWCMOOEKNZDTG-UHFFFAOYSA-N 1 1 306.391 3.067 20 5 DGBDMO C[N@@H+](Cc1ccc(Cl)cc1[N+](=O)[O-])[C@H](CO)CC(C)(C)C ZINC000451786478 536468667 /nfs/dbraw/zinc/46/86/67/536468667.db2.gz WYCSAIXJVXCJII-ZDUSSCGKSA-N 1 1 314.813 3.477 20 5 DGBDMO CC(C)[C@H](c1ccc(F)cc1)[N@@H+](C)CCn1cc([N+](=O)[O-])cn1 ZINC000434618841 527751064 /nfs/dbraw/zinc/75/10/64/527751064.db2.gz ZZHVVUULDADRCV-MRXNPFEDSA-N 1 1 320.368 3.260 20 5 DGBDMO CCC[N@H+](CC(=O)Nc1ccc([N+](=O)[O-])cc1C)CC(C)C ZINC000434741844 527895450 /nfs/dbraw/zinc/89/54/50/527895450.db2.gz JKZSMLGHKDXKRR-UHFFFAOYSA-N 1 1 307.394 3.210 20 5 DGBDMO CC1=CC[N@@H+](CCNc2ccnc3c2cccc3[N+](=O)[O-])CC1 ZINC000432169001 528120041 /nfs/dbraw/zinc/12/00/41/528120041.db2.gz IGVODXZHYXAPAO-UHFFFAOYSA-N 1 1 312.373 3.207 20 5 DGBDMO CCOc1cc(NCC[C@H]2CCC[N@@H+](C)C2)ccc1[N+](=O)[O-] ZINC000413433742 528327653 /nfs/dbraw/zinc/32/76/53/528327653.db2.gz DVIFMZNJEWABOU-CYBMUJFWSA-N 1 1 307.394 3.137 20 5 DGBDMO CCCC[N@@H+](C)CC1CCN(c2ncc([N+](=O)[O-])cc2F)CC1 ZINC000413063878 528339252 /nfs/dbraw/zinc/33/92/52/528339252.db2.gz DZHTWEWXBSUFCJ-UHFFFAOYSA-N 1 1 324.400 3.077 20 5 DGBDMO CC(C)[C@@H]1CCC[N@H+]([C@H](C)C(=O)Nc2cccc([N+](=O)[O-])c2)C1 ZINC000444754625 528669407 /nfs/dbraw/zinc/66/94/07/528669407.db2.gz UTUBBAFEAMVVDP-ZIAGYGMSSA-N 1 1 319.405 3.290 20 5 DGBDMO CCSCC[C@@H](C)[N@@H+](C)Cc1nc2cc([N+](=O)[O-])ccc2[nH]1 ZINC000444674222 529184077 /nfs/dbraw/zinc/18/40/77/529184077.db2.gz JYEOXUCRZHDDRP-LLVKDONJSA-N 1 1 322.434 3.435 20 5 DGBDMO CC[N@H+]1CCCC[C@@H]1CNc1nc2ccc([N+](=O)[O-])cc2s1 ZINC000732050419 574565571 /nfs/dbraw/zinc/56/55/71/574565571.db2.gz PBLAVPLJAODYSN-GFCCVEGCSA-N 1 1 320.418 3.491 20 5 DGBDMO C[C@@H]1CCC[C@H](C)C[N@@H+]1Cn1ncc2cc([N+](=O)[O-])ccc21 ZINC000742154489 574841751 /nfs/dbraw/zinc/84/17/51/574841751.db2.gz KIYLIZCTVSXTGJ-QWHCGFSZSA-N 1 1 302.378 3.413 20 5 DGBDMO C[C@H]1CCC[C@H](C)[N@@H+](Cn2ncc3cc([N+](=O)[O-])ccc32)C1 ZINC000742154490 574841828 /nfs/dbraw/zinc/84/18/28/574841828.db2.gz KIYLIZCTVSXTGJ-STQMWFEESA-N 1 1 302.378 3.413 20 5 DGBDMO CC[N@@H+](Cn1cc([N+](=O)[O-])c(-c2ccncc2)n1)[C@H](C)C(C)C ZINC000742146614 574982183 /nfs/dbraw/zinc/98/21/83/574982183.db2.gz IQKGFYCYTDOORJ-CYBMUJFWSA-N 1 1 317.393 3.177 20 5 DGBDMO COCc1cc([N+](=O)[O-])ccc1N(C)CC[C@@H]1CCCC[N@H+]1C ZINC000747223516 575506739 /nfs/dbraw/zinc/50/67/39/575506739.db2.gz NDBDBSCOYMLXHT-HNNXBMFYSA-N 1 1 321.421 3.052 20 5 DGBDMO O=[N+]([O-])c1ccc(F)cc1C[N@@H+]1CC[C@@H](Oc2ccccc2)C1 ZINC000852681864 620640722 /nfs/dbraw/zinc/64/07/22/620640722.db2.gz ZHVIEYLWAQBCGQ-MRXNPFEDSA-N 1 1 316.332 3.387 20 5 DGBDMO O=[N+]([O-])c1ccc(F)cc1C[N@H+]1CC[C@@H](Oc2ccccc2)C1 ZINC000852681864 620640724 /nfs/dbraw/zinc/64/07/24/620640724.db2.gz ZHVIEYLWAQBCGQ-MRXNPFEDSA-N 1 1 316.332 3.387 20 5 DGBDMO CCC(CC)C[N@@H+](CC)Cn1c(=O)oc2ccc([N+](=O)[O-])cc21 ZINC000917454034 620669930 /nfs/dbraw/zinc/66/99/30/620669930.db2.gz DIPSDGMMAPCJDD-UHFFFAOYSA-N 1 1 321.377 3.218 20 5 DGBDMO Cc1cc(N2CCC[C@H](c3[nH+]ccn3C)C2)c([N+](=O)[O-])s1 ZINC000853541416 620708717 /nfs/dbraw/zinc/70/87/17/620708717.db2.gz QGCDYDGZZQXSRG-NSHDSACASA-N 1 1 306.391 3.082 20 5 DGBDMO COc1c(O)ccc(C[N@H+]2CCC[C@H]3CCC[C@H]32)c1[N+](=O)[O-] ZINC000891803907 617902563 /nfs/dbraw/zinc/90/25/63/617902563.db2.gz LYRPEYFMCIQODY-DGCLKSJQSA-N 1 1 306.362 3.074 20 5 DGBDMO COc1c(O)ccc(C[N@H+]2CCC[C@H]3CCC[C@@H]32)c1[N+](=O)[O-] ZINC000891803914 617902883 /nfs/dbraw/zinc/90/28/83/617902883.db2.gz LYRPEYFMCIQODY-YPMHNXCESA-N 1 1 306.362 3.074 20 5 DGBDMO Cc1nn(C)c(C[NH2+][C@@H](C)c2cccc([N+](=O)[O-])c2)c1Cl ZINC000892622889 618120654 /nfs/dbraw/zinc/12/06/54/618120654.db2.gz UDQMDCGWQIWZEB-VIFPVBQESA-N 1 1 308.769 3.141 20 5 DGBDMO COC(=O)c1cc(C[NH2+]Cc2ccc(C)c([N+](=O)[O-])c2)cs1 ZINC000895458338 618786998 /nfs/dbraw/zinc/78/69/98/618786998.db2.gz OGIWHEAUFRLWEL-UHFFFAOYSA-N 1 1 320.370 3.041 20 5 DGBDMO O=[N+]([O-])c1cc(Cl)ccc1C[NH+]1CC(CC2CCOCC2)C1 ZINC000896008736 618860791 /nfs/dbraw/zinc/86/07/91/618860791.db2.gz NIUZMXBCYJSXTR-UHFFFAOYSA-N 1 1 324.808 3.497 20 5 DGBDMO CC(=O)c1cc(NCCNc2ccc(C)c[nH+]2)ccc1[N+](=O)[O-] ZINC000896454869 618913213 /nfs/dbraw/zinc/91/32/13/618913213.db2.gz AQXLWOVXUSVPCA-UHFFFAOYSA-N 1 1 314.345 3.025 20 5 DGBDMO CC[C@H]([NH2+][C@@H](C)c1cc(OC)no1)c1cccc([N+](=O)[O-])c1 ZINC000925229451 619086318 /nfs/dbraw/zinc/08/63/18/619086318.db2.gz GIAFTXCJPFTGMC-GWCFXTLKSA-N 1 1 305.334 3.393 20 5 DGBDMO C[C@H]([NH2+]Cc1ccccc1[N+](=O)[O-])c1ccnn1C1CCC1 ZINC000925310442 619158203 /nfs/dbraw/zinc/15/82/03/619158203.db2.gz MEVSOEDELKIHKC-LBPRGKRZSA-N 1 1 300.362 3.367 20 5 DGBDMO O=[N+]([O-])c1sc(C[NH2+]C/C=C\Cl)cc1Br ZINC000898430296 619275089 /nfs/dbraw/zinc/27/50/89/619275089.db2.gz YDGUASJDXUZOIY-UPHRSURJSA-N 1 1 311.588 3.261 20 5 DGBDMO CCOc1ccc([C@H]([NH2+]CC[N+](=O)[O-])c2ccccc2)cc1 ZINC000899869362 619379500 /nfs/dbraw/zinc/37/95/00/619379500.db2.gz DICBLJVNPYBBIB-QGZVFWFLSA-N 1 1 300.358 3.041 20 5 DGBDMO Cc1cc(NCc2cc([N+](=O)[O-])ccc2OC(F)F)nc(C)[nH+]1 ZINC000902170442 619598829 /nfs/dbraw/zinc/59/88/29/619598829.db2.gz VHLJMDPKARAHNV-UHFFFAOYSA-N 1 1 324.287 3.215 20 5 DGBDMO O=[N+]([O-])c1cccc2c1CC[C@@H]2[NH2+]Cc1nc2c(s1)CCC2 ZINC000903190801 619737676 /nfs/dbraw/zinc/73/76/76/619737676.db2.gz DFVFSIXQNARWGD-LBPRGKRZSA-N 1 1 315.398 3.317 20 5 DGBDMO COc1cc([C@@H](C)[NH2+][C@H](C)c2ccns2)cc([N+](=O)[O-])c1 ZINC000903209487 619738948 /nfs/dbraw/zinc/73/89/48/619738948.db2.gz LRYFGKWNTPZJKV-NXEZZACHSA-N 1 1 307.375 3.472 20 5 DGBDMO C[C@H](C[NH2+][C@@H]1CCN(C)[C@H]2CCC[C@@H]21)c1ccccc1[N+](=O)[O-] ZINC000903244873 619743544 /nfs/dbraw/zinc/74/35/44/619743544.db2.gz FWBAFUCHHCXDFS-DZUCGIPZSA-N 1 1 317.433 3.161 20 5 DGBDMO C[C@H](c1ccccc1)[C@@H]1CCC[N@H+]1Cn1nccc1[N+](=O)[O-] ZINC000905740597 620025284 /nfs/dbraw/zinc/02/52/84/620025284.db2.gz LAMQMCPHEFCORL-HIFRSBDPSA-N 1 1 300.362 3.017 20 5 DGBDMO Cc1cccc([C@H](O)C[N@H+](C)Cc2ccccc2[N+](=O)[O-])c1 ZINC000905908041 620039783 /nfs/dbraw/zinc/03/97/83/620039783.db2.gz YBJWBAKGBCBCGH-QGZVFWFLSA-N 1 1 300.358 3.069 20 5 DGBDMO CC(C)[N@@H+]1CCC[C@@H]1c1nc(-c2ccc([N+](=O)[O-])s2)no1 ZINC000924005375 620571826 /nfs/dbraw/zinc/57/18/26/620571826.db2.gz KYCVVXSRNWWUHJ-SECBINFHSA-N 1 1 308.363 3.252 20 5 DGBDMO CC(C)[N@H+]1CCC[C@@H]1c1nc(-c2ccc([N+](=O)[O-])s2)no1 ZINC000924005375 620571829 /nfs/dbraw/zinc/57/18/29/620571829.db2.gz KYCVVXSRNWWUHJ-SECBINFHSA-N 1 1 308.363 3.252 20 5 DGBDMO O=[N+]([O-])c1ccc(Cl)c(C[NH2+]Cc2cccc3c2OCC3)c1 ZINC000921835600 620959053 /nfs/dbraw/zinc/95/90/53/620959053.db2.gz ZHUPJSIRJFDUET-UHFFFAOYSA-N 1 1 318.760 3.473 20 5 DGBDMO COc1cc([N+](=O)[O-])ccc1[C@@H](C)[NH2+][C@H](C)c1ccns1 ZINC000858577750 621206159 /nfs/dbraw/zinc/20/61/59/621206159.db2.gz VKEVBPLGJGRXSW-NXEZZACHSA-N 1 1 307.375 3.472 20 5 DGBDMO O=[N+]([O-])c1ccc(C[N@H+]2CCCC3(CC3)CC2)c([N+](=O)[O-])c1 ZINC000860074353 621363342 /nfs/dbraw/zinc/36/33/42/621363342.db2.gz ZRHHMZZGECXYJB-UHFFFAOYSA-N 1 1 305.334 3.269 20 5 DGBDMO CC[C@@H]1CCC[N@@H+]1CC(=O)Nc1cc(Cl)ccc1[N+](=O)[O-] ZINC000839479456 621379615 /nfs/dbraw/zinc/37/96/15/621379615.db2.gz LKUAFDXYUDQWKS-LLVKDONJSA-N 1 1 311.769 3.061 20 5 DGBDMO CC[C@@H]1CCC[N@H+]1CC(=O)Nc1cc(Cl)ccc1[N+](=O)[O-] ZINC000839479456 621379616 /nfs/dbraw/zinc/37/96/16/621379616.db2.gz LKUAFDXYUDQWKS-LLVKDONJSA-N 1 1 311.769 3.061 20 5 DGBDMO C[C@@H]1CC[C@H](C)[N@H+]1CC(=O)Nc1cc(Cl)ccc1[N+](=O)[O-] ZINC000839506056 621382355 /nfs/dbraw/zinc/38/23/55/621382355.db2.gz SREVHNYYKHCATM-AOOOYVTPSA-N 1 1 311.769 3.060 20 5 DGBDMO C[C@@H]1CC[C@H](C)[N@@H+]1CC(=O)Nc1cc(Cl)ccc1[N+](=O)[O-] ZINC000839506056 621382357 /nfs/dbraw/zinc/38/23/57/621382357.db2.gz SREVHNYYKHCATM-AOOOYVTPSA-N 1 1 311.769 3.060 20 5 DGBDMO O=[N+]([O-])c1cccc(F)c1C[NH2+][C@H](CCO)c1cccs1 ZINC000754394901 621508838 /nfs/dbraw/zinc/50/88/38/621508838.db2.gz LOCFPDGEYDCLRR-GFCCVEGCSA-N 1 1 310.350 3.009 20 5 DGBDMO Cc1c(F)nccc1C[N@@H+](C)CCc1ccccc1[N+](=O)[O-] ZINC000862363138 621578744 /nfs/dbraw/zinc/57/87/44/621578744.db2.gz JVHRICDCUGBZSC-UHFFFAOYSA-N 1 1 303.337 3.112 20 5 DGBDMO O=[N+]([O-])c1ccc(Cl)cc1C[N@H+]1CCC[C@@H]2COCC[C@H]21 ZINC000756902437 621671276 /nfs/dbraw/zinc/67/12/76/621671276.db2.gz SNRLBVPWDFRDHH-BXUZGUMPSA-N 1 1 310.781 3.249 20 5 DGBDMO NC(CCC(F)(F)F)=[NH+]OCc1ccc([N+](=O)[O-])cc1F ZINC000863489730 621677998 /nfs/dbraw/zinc/67/79/98/621677998.db2.gz PYKIFXBDMLOIGF-UHFFFAOYSA-N 1 1 309.219 3.075 20 5 DGBDMO O=[N+]([O-])c1ccc(F)cc1C[N@@H+]1C[C@@H](O)C[C@H]1c1ccccc1 ZINC000839632263 621702622 /nfs/dbraw/zinc/70/26/22/621702622.db2.gz FMUBWGJYLGHFQX-RDJZCZTQSA-N 1 1 316.332 3.042 20 5 DGBDMO O=[N+]([O-])c1ccc(F)cc1C[N@H+]1C[C@@H](O)C[C@H]1c1ccccc1 ZINC000839632263 621702623 /nfs/dbraw/zinc/70/26/23/621702623.db2.gz FMUBWGJYLGHFQX-RDJZCZTQSA-N 1 1 316.332 3.042 20 5 DGBDMO CC[C@@H](c1ccccc1)[C@H]1CCC[N@H+]1Cn1nccc1[N+](=O)[O-] ZINC000120222054 621810121 /nfs/dbraw/zinc/81/01/21/621810121.db2.gz BPJOZXHIJKFQPT-JKSUJKDBSA-N 1 1 314.389 3.407 20 5 DGBDMO Cc1nn(C[N@H+]2CCC[C@H]2C2CC2)c2cc([N+](=O)[O-])ccc12 ZINC000761292117 621999567 /nfs/dbraw/zinc/99/95/67/621999567.db2.gz YBVXIHAZJJLSLO-HNNXBMFYSA-N 1 1 300.362 3.085 20 5 DGBDMO Cc1nn(C[N@H+]2CCC[C@@H]2C2CCC2)c2cc([N+](=O)[O-])ccc12 ZINC000761289277 621999677 /nfs/dbraw/zinc/99/96/77/621999677.db2.gz FIOITGYSAGCXGW-MRXNPFEDSA-N 1 1 314.389 3.475 20 5 DGBDMO C[N@H+]1CCN(c2ccc(C(F)F)cc2[N+](=O)[O-])CCC1(C)C ZINC000866112876 622047474 /nfs/dbraw/zinc/04/74/74/622047474.db2.gz MSKRXOFZFRGMQI-UHFFFAOYSA-N 1 1 313.348 3.453 20 5 DGBDMO C[N@H+]1CCN(c2ccc([N+](=O)[O-])c3cccnc32)CCC1(C)C ZINC000866114613 622048165 /nfs/dbraw/zinc/04/81/65/622048165.db2.gz MNUABPISRNHVSP-UHFFFAOYSA-N 1 1 314.389 3.064 20 5 DGBDMO O=[N+]([O-])c1ccc2[nH+]ccc(N3CC[C@H]4CSC[C@@H]4C3)c2c1 ZINC000866200915 622064569 /nfs/dbraw/zinc/06/45/69/622064569.db2.gz MNMQATFMVZKSER-RYUDHWBXSA-N 1 1 315.398 3.332 20 5 DGBDMO CCC[N@@H+](CC)[C@@H](C)C(=O)Nc1cc([N+](=O)[O-])ccc1Cl ZINC000764211073 622183941 /nfs/dbraw/zinc/18/39/41/622183941.db2.gz LEFSBDDBGKPBOL-JTQLQIEISA-N 1 1 313.785 3.307 20 5 DGBDMO Cc1nn(C[N@@H+]2CC[C@H](C)[C@@H](C)C2)c2cc([N+](=O)[O-])ccc12 ZINC000766376340 622325294 /nfs/dbraw/zinc/32/52/94/622325294.db2.gz ZMOAVYCHUGYWKX-RYUDHWBXSA-N 1 1 302.378 3.188 20 5 DGBDMO CSc1ccc([N+](=O)[O-])cc1[C@H](C)N[C@@H]1CC[N@@H+](C2CC2)C1 ZINC000872033438 622764706 /nfs/dbraw/zinc/76/47/06/622764706.db2.gz HHSMTKYNQSJPDD-NWDGAFQWSA-N 1 1 321.446 3.204 20 5 DGBDMO CSc1ccc([N+](=O)[O-])cc1[C@H](C)N[C@@H]1CC[N@H+](C2CC2)C1 ZINC000872033438 622764709 /nfs/dbraw/zinc/76/47/09/622764709.db2.gz HHSMTKYNQSJPDD-NWDGAFQWSA-N 1 1 321.446 3.204 20 5 DGBDMO C[C@H]([NH2+]Cc1ccc(CO)cc1)c1c(F)cccc1[N+](=O)[O-] ZINC000872082106 622794847 /nfs/dbraw/zinc/79/48/47/622794847.db2.gz PNGZMQUUFFJSHS-NSHDSACASA-N 1 1 304.321 3.077 20 5 DGBDMO Cc1nccnc1[C@H](C)[NH2+][C@@H]1CCCc2ccc([N+](=O)[O-])cc21 ZINC000872135085 622827695 /nfs/dbraw/zinc/82/76/95/622827695.db2.gz VCJZBYJSWZEHEW-BLLLJJGKSA-N 1 1 312.373 3.421 20 5 DGBDMO CCC[N@H+]1CC[C@@H](CNCc2c(C)ccc([N+](=O)[O-])c2C)C1 ZINC000873020497 623018561 /nfs/dbraw/zinc/01/85/61/623018561.db2.gz UOJODSBNCDFCOG-HNNXBMFYSA-N 1 1 305.422 3.033 20 5 DGBDMO CC[C@H]1CCC[N@H+]1Cn1ncc2cc([N+](=O)[O-])cc(Cl)c21 ZINC000774626915 623167291 /nfs/dbraw/zinc/16/72/91/623167291.db2.gz NPEJFJZKHSPRHM-NSHDSACASA-N 1 1 308.769 3.430 20 5 DGBDMO O=[N+]([O-])c1cc2cnn(C[N@H+]3CCC[C@@H]3C3CC3)c2c(Cl)c1 ZINC000774628530 623167977 /nfs/dbraw/zinc/16/79/77/623167977.db2.gz XAZSNVXPYKQIRS-CQSZACIVSA-N 1 1 320.780 3.430 20 5 DGBDMO Cc1ccccc1C[N@@H+](C)Cc1ccc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000774821908 623196207 /nfs/dbraw/zinc/19/62/07/623196207.db2.gz ILLZERVOHZXHEP-UHFFFAOYSA-N 1 1 315.329 3.443 20 5 DGBDMO Cc1ccccc1C[N@H+](C)Cc1ccc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000774821908 623196210 /nfs/dbraw/zinc/19/62/10/623196210.db2.gz ILLZERVOHZXHEP-UHFFFAOYSA-N 1 1 315.329 3.443 20 5 DGBDMO CC[C@H]1CCC[N@H+]1Cn1cc(-c2cccc([N+](=O)[O-])c2)cn1 ZINC000777956480 623589906 /nfs/dbraw/zinc/58/99/06/623589906.db2.gz MALDUKPDLVCXQA-HNNXBMFYSA-N 1 1 300.362 3.290 20 5 DGBDMO CC(C)[N@@H+](Cn1cc(-c2cccc([N+](=O)[O-])c2)cn1)C1CC1 ZINC000777955116 623590141 /nfs/dbraw/zinc/59/01/41/623590141.db2.gz MKIOKNBHBLMJJK-UHFFFAOYSA-N 1 1 300.362 3.289 20 5 DGBDMO O=[N+]([O-])c1cccc(-c2cnn(C[N@H+]3CCC4(CCC4)C3)c2)c1 ZINC000777964828 623592704 /nfs/dbraw/zinc/59/27/04/623592704.db2.gz SJMFKYNKXNGTTD-UHFFFAOYSA-N 1 1 312.373 3.292 20 5 DGBDMO C[C@@H](OC(=O)C(C)(C)[NH+]1CCCC1)c1cccc([N+](=O)[O-])c1 ZINC000805615793 623700872 /nfs/dbraw/zinc/70/08/72/623700872.db2.gz INVBKQZIUPUNKF-GFCCVEGCSA-N 1 1 306.362 3.073 20 5 DGBDMO Cc1ccc([N+](=O)[O-])c(C)c1C[N@H+]1CC[C@]2(C1)CCCOC2 ZINC000877508232 623917233 /nfs/dbraw/zinc/91/72/33/623917233.db2.gz UEUWLLLYIJBYKH-KRWDZBQOSA-N 1 1 304.390 3.214 20 5 DGBDMO Cc1ccc([N+](=O)[O-])c(C)c1C[N@H+]1CCC[C@H](CCO)CC1 ZINC000877595632 623955509 /nfs/dbraw/zinc/95/55/09/623955509.db2.gz AAYKHRJZEYPFHT-HNNXBMFYSA-N 1 1 306.406 3.196 20 5 DGBDMO O=[N+]([O-])c1ccc(C[N@H+]2CC[C@@H]3CSC[C@H]3C2)c(Cl)c1 ZINC000877737056 624010874 /nfs/dbraw/zinc/01/08/74/624010874.db2.gz GPZXPSXPGSWASN-VXGBXAGGSA-N 1 1 312.822 3.433 20 5 DGBDMO C/C(=C/c1cccc([N+](=O)[O-])c1)CN1CC[C@@H]2[C@H](CC[N@@H+]2C)C1 ZINC000877739901 624012073 /nfs/dbraw/zinc/01/20/73/624012073.db2.gz ICUWQCJBQPBBGK-JBQASTCHSA-N 1 1 315.417 3.024 20 5 DGBDMO CC(C)c1ccc(CN2CC[C@@H]3[C@@H](CC[N@H+]3C)C2)cc1[N+](=O)[O-] ZINC000877744539 624016515 /nfs/dbraw/zinc/01/65/15/624016515.db2.gz VGNXRXIQKBSHNH-DOTOQJQBSA-N 1 1 317.433 3.244 20 5 DGBDMO C[C@@H](Nc1nc2ccc([N+](=O)[O-])cc2s1)C1=CC[N@@H+](C)CC1 ZINC000781394952 624065375 /nfs/dbraw/zinc/06/53/75/624065375.db2.gz RCZMMVFTMQJIQC-SNVBAGLBSA-N 1 1 318.402 3.267 20 5 DGBDMO CCC1CC[NH+](Cc2nnc(-c3ccccc3[N+](=O)[O-])o2)CC1 ZINC000877975455 624120043 /nfs/dbraw/zinc/12/00/43/624120043.db2.gz OFRJLZGJDYAFJQ-UHFFFAOYSA-N 1 1 316.361 3.267 20 5 DGBDMO O=[N+]([O-])c1ccc(F)cc1C[NH2+][C@@H](c1cccnc1)C1CC1 ZINC000782531250 624261148 /nfs/dbraw/zinc/26/11/48/624261148.db2.gz SCPTXMVXKAVJRQ-MRXNPFEDSA-N 1 1 301.321 3.370 20 5 DGBDMO C[C@@H]1CCCC[N@@H+](Cc2nnc(-c3ccccc3[N+](=O)[O-])o2)C1 ZINC000878450820 624281548 /nfs/dbraw/zinc/28/15/48/624281548.db2.gz ANUPQTCRHYWVFP-GFCCVEGCSA-N 1 1 316.361 3.267 20 5 DGBDMO C[N@@H+](CCc1cccc([N+](=O)[O-])c1)C[C@@H]1C[C@@H]2CCC[C@H]2O1 ZINC000878565130 624309407 /nfs/dbraw/zinc/30/94/07/624309407.db2.gz FYEKHIXZDXFGKC-BHYGNILZSA-N 1 1 304.390 3.027 20 5 DGBDMO O=[N+]([O-])c1ccc(C[N@H+]2CCC3(C2)CCOCC3)cc1Cl ZINC000783570155 624367547 /nfs/dbraw/zinc/36/75/47/624367547.db2.gz ISBQEINARMCHRL-UHFFFAOYSA-N 1 1 310.781 3.251 20 5 DGBDMO CC[N@H+]1C[C@@H](C)N(Cc2ccc([N+](=O)[O-])c(Cl)c2)C[C@@H]1C ZINC000783569436 624367612 /nfs/dbraw/zinc/36/76/12/624367612.db2.gz GTLVXHHFLPQLBH-NWDGAFQWSA-N 1 1 311.813 3.163 20 5 DGBDMO C[NH+]1CCC2(CCN(Cc3ccc(Cl)c([N+](=O)[O-])c3)C2)CC1 ZINC000878865934 624375982 /nfs/dbraw/zinc/37/59/82/624375982.db2.gz FSVLQBIVQWKSPD-UHFFFAOYSA-N 1 1 323.824 3.166 20 5 DGBDMO COC[C@H]1CCCC[N@@H+](Cc2ccc([N+](=O)[O-])c(Cl)c2)C1 ZINC000783676235 624382676 /nfs/dbraw/zinc/38/26/76/624382676.db2.gz GPWPZKWOTJIBKF-ZDUSSCGKSA-N 1 1 312.797 3.497 20 5 DGBDMO CC(C)(O)C1CC[NH+](Cc2ccc(Cl)cc2[N+](=O)[O-])CC1 ZINC000879626698 624612182 /nfs/dbraw/zinc/61/21/82/624612182.db2.gz NORRCQMMFPLVNZ-UHFFFAOYSA-N 1 1 312.797 3.231 20 5 DGBDMO C[C@@H](O)[C@@H]1C[C@H](C)CC[N@H+]1Cc1cc(Cl)ccc1[N+](=O)[O-] ZINC000785546028 624684302 /nfs/dbraw/zinc/68/43/02/624684302.db2.gz KEQQIFRJNLPCJG-HFAKWTLXSA-N 1 1 312.797 3.230 20 5 DGBDMO Cc1ccc([N+](=O)[O-])cc1[C@H](C)OC(=O)C[N@H+]1[C@H](C)CC[C@@H]1C ZINC000785736922 624721609 /nfs/dbraw/zinc/72/16/09/624721609.db2.gz ZIBLELHCERUUHO-MJBXVCDLSA-N 1 1 320.389 3.380 20 5 DGBDMO Cc1ccc([N+](=O)[O-])cc1[C@H](C)OC(=O)C[N@@H+]1[C@H](C)CC[C@@H]1C ZINC000785736922 624721611 /nfs/dbraw/zinc/72/16/11/624721611.db2.gz ZIBLELHCERUUHO-MJBXVCDLSA-N 1 1 320.389 3.380 20 5 DGBDMO O=[N+]([O-])c1ccc(-c2nc(C[N@H+]3CCC[C@H](CF)C3)co2)cc1 ZINC000880237657 624861860 /nfs/dbraw/zinc/86/18/60/624861860.db2.gz ZIWHTYCAERVWMU-GFCCVEGCSA-N 1 1 319.336 3.431 20 5 DGBDMO O=[N+]([O-])c1cc(Br)ccc1C[N@@H+]1CC[C@H](CF)C1 ZINC000880300217 624902323 /nfs/dbraw/zinc/90/23/23/624902323.db2.gz PLYSCXHXZAXFAH-SECBINFHSA-N 1 1 317.158 3.149 20 5 DGBDMO O=[N+]([O-])c1cc(Br)ccc1C[N@H+]1CC[C@H](CF)C1 ZINC000880300217 624902324 /nfs/dbraw/zinc/90/23/24/624902324.db2.gz PLYSCXHXZAXFAH-SECBINFHSA-N 1 1 317.158 3.149 20 5 DGBDMO O=C(OCc1ccc([N+](=O)[O-])cc1)[C@@H]1CCC[N@H+]1C1CCCC1 ZINC000786883495 624961498 /nfs/dbraw/zinc/96/14/98/624961498.db2.gz RDMFQXIFVHWJJJ-INIZCTEOSA-N 1 1 318.373 3.045 20 5 DGBDMO CCC[N@@H+](C)C[C@H]1CCN(c2cc(Cl)ccc2[N+](=O)[O-])C1 ZINC000791414641 625795621 /nfs/dbraw/zinc/79/56/21/625795621.db2.gz XTECMYXARWPBES-GFCCVEGCSA-N 1 1 311.813 3.416 20 5 DGBDMO CC[N@H+](Cc1cnn(C)c1)Cc1ccc([N+](=O)[O-])c(Cl)c1 ZINC000131033161 625931605 /nfs/dbraw/zinc/93/16/05/625931605.db2.gz CWKXPMZSUIBVGH-UHFFFAOYSA-N 1 1 308.769 3.004 20 5 DGBDMO CC[N@@H+](Cc1cnn(C)c1)Cc1ccc([N+](=O)[O-])c(Cl)c1 ZINC000131033161 625931612 /nfs/dbraw/zinc/93/16/12/625931612.db2.gz CWKXPMZSUIBVGH-UHFFFAOYSA-N 1 1 308.769 3.004 20 5 DGBDMO COCC[N@@H+](Cc1cc(F)ccc1[N+](=O)[O-])[C@@H]1CC[C@H](C)C1 ZINC000792464056 625947126 /nfs/dbraw/zinc/94/71/26/625947126.db2.gz KRSDHLJWRVBOOQ-SWLSCSKDSA-N 1 1 310.369 3.371 20 5 DGBDMO C[N@@H+](CCc1ccccc1[N+](=O)[O-])C[C@H]1CC1(Cl)Cl ZINC000796113161 626022836 /nfs/dbraw/zinc/02/28/36/626022836.db2.gz MMDFAVMWXKIQLF-LLVKDONJSA-N 1 1 303.189 3.263 20 5 DGBDMO Cc1ccccc1[C@@H](O)C[N@@H+](C)CCc1ccccc1[N+](=O)[O-] ZINC000796115368 626023310 /nfs/dbraw/zinc/02/33/10/626023310.db2.gz YYJDOSWDMMHDMS-SFHVURJKSA-N 1 1 314.385 3.111 20 5 DGBDMO CC(C)[N@H+](Cc1ccc([N+](=O)[O-])cc1)Cc1cnc(Cl)cn1 ZINC000799116158 626273478 /nfs/dbraw/zinc/27/34/78/626273478.db2.gz FAAIHPHQXZOBES-UHFFFAOYSA-N 1 1 320.780 3.449 20 5 DGBDMO CC(C)[N@@H+](Cc1ccc([N+](=O)[O-])cc1)Cc1cnc(Cl)cn1 ZINC000799116158 626273480 /nfs/dbraw/zinc/27/34/80/626273480.db2.gz FAAIHPHQXZOBES-UHFFFAOYSA-N 1 1 320.780 3.449 20 5 DGBDMO O=[N+]([O-])c1ccnn1C[N@@H+]1[C@@H]2CC[C@H]1C[C@@H](c1ccccc1)C2 ZINC000800866583 626380691 /nfs/dbraw/zinc/38/06/91/626380691.db2.gz ODAURNZJQVKWMA-MUJYYYPQSA-N 1 1 312.373 3.159 20 5 DGBDMO C[N@@H+](CCc1cccc([N+](=O)[O-])c1)C[C@@H]1CC1(Cl)Cl ZINC000801600751 626411776 /nfs/dbraw/zinc/41/17/76/626411776.db2.gz UEUWHFAOGBDBEM-NSHDSACASA-N 1 1 303.189 3.263 20 5 DGBDMO CC(=O)c1cc([N+](=O)[O-])ccc1NCC[N@@H+]1CCCC[C@@H]1C ZINC000804352986 626672807 /nfs/dbraw/zinc/67/28/07/626672807.db2.gz UGZOTQVOXZJSSR-LBPRGKRZSA-N 1 1 305.378 3.084 20 5 DGBDMO Cc1cccc(NCCNc2cc(Cl)ccc2[N+](=O)[O-])[nH+]1 ZINC000804454332 626681832 /nfs/dbraw/zinc/68/18/32/626681832.db2.gz PMIIVLYLMLWHOX-UHFFFAOYSA-N 1 1 306.753 3.476 20 5 DGBDMO NC(CCc1ccccc1)=[NH+]OCCc1ccc([N+](=O)[O-])cc1 ZINC000808255724 626809496 /nfs/dbraw/zinc/80/94/96/626809496.db2.gz YOJPJNSBEMOEGS-UHFFFAOYSA-N 1 1 313.357 3.269 20 5 DGBDMO Cc1nn(C[N@H+](C)C2CC(C)(C)C2)c2cc([N+](=O)[O-])ccc12 ZINC000840163335 626893981 /nfs/dbraw/zinc/89/39/81/626893981.db2.gz HTVIVCBGNQHHIF-UHFFFAOYSA-N 1 1 302.378 3.331 20 5 DGBDMO O=[N+]([O-])c1ccc(F)cc1C[N@@H+]1CCC=C(c2cccnc2)C1 ZINC000809568682 626920577 /nfs/dbraw/zinc/92/05/77/626920577.db2.gz VHDBTCJYCPYFHX-UHFFFAOYSA-N 1 1 313.332 3.418 20 5 DGBDMO O=[N+]([O-])c1ccc(F)cc1C[N@H+]1CCC=C(c2cccnc2)C1 ZINC000809568682 626920580 /nfs/dbraw/zinc/92/05/80/626920580.db2.gz VHDBTCJYCPYFHX-UHFFFAOYSA-N 1 1 313.332 3.418 20 5 DGBDMO CO[C@@H]1[C@H]2C[C@H]3C[N@@H+](Cc4ccc([N+](=O)[O-])c(Cl)c4)[C@H]1[C@H]3C2 ZINC000809698112 626937920 /nfs/dbraw/zinc/93/79/20/626937920.db2.gz VVMMAUMXOYYNPA-PVIIJVKYSA-N 1 1 322.792 3.103 20 5 DGBDMO CO[C@H]1[C@H]2[C@H]3C[C@@H]1C[C@@H]3C[N@H+]2Cc1ccc([N+](=O)[O-])c(Cl)c1 ZINC000809698113 626938240 /nfs/dbraw/zinc/93/82/40/626938240.db2.gz VVMMAUMXOYYNPA-SCYJSFNGSA-N 1 1 322.792 3.103 20 5 DGBDMO O=[N+]([O-])c1ccc2[nH+]ccc(N3CC[C@H]([C@H]4CCCO4)C3)c2c1 ZINC000884752085 626951072 /nfs/dbraw/zinc/95/10/72/626951072.db2.gz RGROEUFDOQPHTR-YVEFUNNKSA-N 1 1 313.357 3.148 20 5 DGBDMO CC[N@H+](CCOC)Cc1cc(Cl)cc(Cl)c1[N+](=O)[O-] ZINC000809934484 626960622 /nfs/dbraw/zinc/96/06/22/626960622.db2.gz CVWQFOPJILXQMO-UHFFFAOYSA-N 1 1 307.177 3.370 20 5 DGBDMO CC[N@@H+](CCOC)Cc1cc(Cl)cc(Cl)c1[N+](=O)[O-] ZINC000809934484 626960626 /nfs/dbraw/zinc/96/06/26/626960626.db2.gz CVWQFOPJILXQMO-UHFFFAOYSA-N 1 1 307.177 3.370 20 5 DGBDMO O=[N+]([O-])c1ccc2c(cnn2C[N@H+]2CC[C@H](C3CCC3)C2)c1 ZINC000840190291 626967779 /nfs/dbraw/zinc/96/77/79/626967779.db2.gz VIARKBLDZJBPJF-ZDUSSCGKSA-N 1 1 300.362 3.024 20 5 DGBDMO O=[N+]([O-])c1ncccc1C[N@H+]1CCC[C@@H]1Cc1cccc(F)c1 ZINC000885959184 627070440 /nfs/dbraw/zinc/07/04/40/627070440.db2.gz UYSBMVIYHLXNAP-MRXNPFEDSA-N 1 1 315.348 3.336 20 5 DGBDMO O=[N+]([O-])c1ncccc1C[N@@H+](CCc1cccc(F)c1)C1CC1 ZINC000886010097 627082418 /nfs/dbraw/zinc/08/24/18/627082418.db2.gz DKLQXOWAIQKZSV-UHFFFAOYSA-N 1 1 315.348 3.336 20 5 DGBDMO CCC[N@@H+](Cc1cccnc1[N+](=O)[O-])[C@@H]1[C@@H]2CCO[C@@H]2C1(C)C ZINC000886018561 627085692 /nfs/dbraw/zinc/08/56/92/627085692.db2.gz CFBQWSOSZSUNPD-ZNMIVQPWSA-N 1 1 319.405 3.015 20 5 DGBDMO C[C@H]1[C@H](Cc2ccccc2)CC[N@H+]1Cc1cccnc1[N+](=O)[O-] ZINC000886030273 627088855 /nfs/dbraw/zinc/08/88/55/627088855.db2.gz IEBKZXXLRFZYCJ-HOCLYGCPSA-N 1 1 311.385 3.443 20 5 DGBDMO O=[N+]([O-])c1ncccc1C[N@H+]1CCSC2(CCCCC2)C1 ZINC000886034941 627090121 /nfs/dbraw/zinc/09/01/21/627090121.db2.gz IKMBODPIPGDCJA-UHFFFAOYSA-N 1 1 307.419 3.242 20 5 DGBDMO O=[N+]([O-])c1ncccc1C[N@@H+]1CC[C@@H](c2c(F)cccc2F)C1 ZINC000886138120 627110741 /nfs/dbraw/zinc/11/07/41/627110741.db2.gz CANDPWYQUPFULE-LLVKDONJSA-N 1 1 319.311 3.258 20 5 DGBDMO O=[N+]([O-])c1ncccc1C[N@H+]1CC[C@@H](c2c(F)cccc2F)C1 ZINC000886138120 627110743 /nfs/dbraw/zinc/11/07/43/627110743.db2.gz CANDPWYQUPFULE-LLVKDONJSA-N 1 1 319.311 3.258 20 5 DGBDMO CC[N@H+](CCOc1ccccc1C)Cc1cccnc1[N+](=O)[O-] ZINC000886252130 627127286 /nfs/dbraw/zinc/12/72/86/627127286.db2.gz ULRFGVWYDAGDJN-UHFFFAOYSA-N 1 1 315.373 3.199 20 5 DGBDMO CC[N@@H+](CCOc1ccccc1C)Cc1cccnc1[N+](=O)[O-] ZINC000886252130 627127287 /nfs/dbraw/zinc/12/72/87/627127287.db2.gz ULRFGVWYDAGDJN-UHFFFAOYSA-N 1 1 315.373 3.199 20 5 DGBDMO Cc1ccccc1[C@H](CO)[N@H+](C)Cc1cc(F)ccc1[N+](=O)[O-] ZINC000886432395 627148344 /nfs/dbraw/zinc/14/83/44/627148344.db2.gz XIICWWAZRSRTFD-KRWDZBQOSA-N 1 1 318.348 3.208 20 5 DGBDMO Cc1ccccc1[C@H](CO)[N@@H+](C)Cc1cc(F)ccc1[N+](=O)[O-] ZINC000886432395 627148348 /nfs/dbraw/zinc/14/83/48/627148348.db2.gz XIICWWAZRSRTFD-KRWDZBQOSA-N 1 1 318.348 3.208 20 5 DGBDMO CC(C)[C@H]([NH2+]Cc1cc([N+](=O)[O-])ccc1Cl)c1cnn(C)c1 ZINC000886551518 627161999 /nfs/dbraw/zinc/16/19/99/627161999.db2.gz JJUMHIYPOMVJBG-HNNXBMFYSA-N 1 1 322.796 3.469 20 5 DGBDMO O=[N+]([O-])c1ccc(C[N@H+]2CC[C@@H]([C@@H]3CCCO3)C2)c(Cl)c1 ZINC000886822696 627208535 /nfs/dbraw/zinc/20/85/35/627208535.db2.gz UETOBWBIMFZEGD-DOMZBBRYSA-N 1 1 310.781 3.249 20 5 DGBDMO Cc1cnn([C@H]2CC[N@H+](Cc3ccc([N+](=O)[O-])c(Cl)c3)C2)c1 ZINC000811519745 627286918 /nfs/dbraw/zinc/28/69/18/627286918.db2.gz DFMNAAUBQKZBGC-ZDUSSCGKSA-N 1 1 320.780 3.200 20 5 DGBDMO Cc1cnn([C@H]2CC[N@@H+](Cc3ccc([N+](=O)[O-])c(Cl)c3)C2)c1 ZINC000811519745 627286923 /nfs/dbraw/zinc/28/69/23/627286923.db2.gz DFMNAAUBQKZBGC-ZDUSSCGKSA-N 1 1 320.780 3.200 20 5 DGBDMO Cc1[nH+]ccn1-c1ncccc1CNc1c(C)cccc1[N+](=O)[O-] ZINC000811825973 627326290 /nfs/dbraw/zinc/32/62/90/627326290.db2.gz QSPTWPBEAVWMMM-UHFFFAOYSA-N 1 1 323.356 3.404 20 5 DGBDMO CC(C)[N@H+](C)C[C@@H](C)Nc1nc2ccc([N+](=O)[O-])cc2s1 ZINC000811859706 627330353 /nfs/dbraw/zinc/33/03/53/627330353.db2.gz YRJPIEFTWRUEGL-SNVBAGLBSA-N 1 1 308.407 3.345 20 5 DGBDMO CC(=O)c1ccc([N+](=O)[O-])cc1NCCCC[N@H+](C)C1CC1 ZINC000840316353 627554579 /nfs/dbraw/zinc/55/45/79/627554579.db2.gz NCPSVQZRNHAPRC-UHFFFAOYSA-N 1 1 305.378 3.084 20 5 DGBDMO O=[N+]([O-])c1ccc(C[NH2+][C@@H]2CCc3c2nccc3Cl)cc1 ZINC000925310491 627729197 /nfs/dbraw/zinc/72/91/97/627729197.db2.gz BBRGHXDDHPLMGO-CQSZACIVSA-N 1 1 303.749 3.420 20 5 DGBDMO CC[C@@H](NC[C@]12CCC[C@H]1[NH2+]CC2)c1cccc([N+](=O)[O-])c1 ZINC000925840691 627804480 /nfs/dbraw/zinc/80/44/80/627804480.db2.gz KHXFZYIUWZWABS-BRWVUGGUSA-N 1 1 303.406 3.168 20 5 DGBDMO C[C@@H]1CC2(CN1Cc1cc([N+](=O)[O-])ccc1Cl)CC[NH2+]CC2 ZINC000818340394 628015832 /nfs/dbraw/zinc/01/58/32/628015832.db2.gz LSXFUMLXCUXYKV-GFCCVEGCSA-N 1 1 323.824 3.212 20 5 DGBDMO CCC[N@@H+](C)C[C@@H]1CCN(c2cc(OC)c(C)cc2[N+](=O)[O-])C1 ZINC000820671019 628285038 /nfs/dbraw/zinc/28/50/38/628285038.db2.gz ZESDJWYOXDOPFZ-AWEZNQCLSA-N 1 1 321.421 3.080 20 5 DGBDMO CCC[N@@H+](C)C[C@H]1CCN(c2cc(OC)c(C)cc2[N+](=O)[O-])C1 ZINC000820671020 628285199 /nfs/dbraw/zinc/28/51/99/628285199.db2.gz ZESDJWYOXDOPFZ-CQSZACIVSA-N 1 1 321.421 3.080 20 5 DGBDMO O=[N+]([O-])c1ccc(F)cc1C[N@H+]1CC[C@@H](c2ccncc2)C1 ZINC000821272760 628352116 /nfs/dbraw/zinc/35/21/16/628352116.db2.gz XXBCSDABOJGARE-CYBMUJFWSA-N 1 1 301.321 3.118 20 5 DGBDMO C[C@@H]1CN(Cc2cc(Cl)ccc2[N+](=O)[O-])CC[N@H+](C2CC2)C1 ZINC000824445607 628661575 /nfs/dbraw/zinc/66/15/75/628661575.db2.gz HIKBDMOPLDKJOG-GFCCVEGCSA-N 1 1 323.824 3.164 20 5 DGBDMO O=[N+]([O-])c1ccc(C[N@@H+]2CCC[C@@H]2[C@H]2CCC[C@H]2O)cc1Cl ZINC000824721240 628687041 /nfs/dbraw/zinc/68/70/41/628687041.db2.gz ABXJVUNOZQMFHV-XNRPHZJLSA-N 1 1 324.808 3.374 20 5 DGBDMO CC(C)[N@H+]1CC[C@@H](N(C)Cc2cc(Cl)ccc2[N+](=O)[O-])C1 ZINC000825337593 628751592 /nfs/dbraw/zinc/75/15/92/628751592.db2.gz HDVGGRLSTFBYCR-CQSZACIVSA-N 1 1 311.813 3.163 20 5 DGBDMO O=[N+]([O-])c1ccc(C[N@H+]2CCC[C@H]2[C@@H]2CCCOC2)cc1F ZINC000828906263 629107729 /nfs/dbraw/zinc/10/77/29/629107729.db2.gz VSHDBUJCLMCNHB-HIFRSBDPSA-N 1 1 308.353 3.125 20 5 DGBDMO Cc1ccccc1CC[N@H+](C)C[C@H](O)c1ccc([N+](=O)[O-])cc1 ZINC000830391052 629262469 /nfs/dbraw/zinc/26/24/69/629262469.db2.gz KBSZPMGSYRJEGH-SFHVURJKSA-N 1 1 314.385 3.111 20 5 DGBDMO CC(C)[N@H+]1CCCC[C@H]1COC(=O)c1cc(F)ccc1[N+](=O)[O-] ZINC000837473440 630263708 /nfs/dbraw/zinc/26/37/08/630263708.db2.gz DNDZGWKFFLJFHI-ZDUSSCGKSA-N 1 1 324.352 3.154 20 5 DGBDMO O=[N+]([O-])c1ccc(F)cc1C[N@@H+]1CCSC[C@@H]1C1CCC1 ZINC000842170637 630502104 /nfs/dbraw/zinc/50/21/04/630502104.db2.gz LRONLEBLSHVAGB-OAHLLOKOSA-N 1 1 310.394 3.451 20 5 DGBDMO O=[N+]([O-])c1ccc(F)cc1C[N@H+]1CCSC[C@@H]1C1CCC1 ZINC000842170637 630502105 /nfs/dbraw/zinc/50/21/05/630502105.db2.gz LRONLEBLSHVAGB-OAHLLOKOSA-N 1 1 310.394 3.451 20 5 DGBDMO CC(C)[N@H+]1CCC[C@H](COC(=O)c2cc(F)cc([N+](=O)[O-])c2)C1 ZINC000842834776 630582868 /nfs/dbraw/zinc/58/28/68/630582868.db2.gz ZXFQZISPCURXQP-LBPRGKRZSA-N 1 1 324.352 3.011 20 5 DGBDMO CCCN(Cc1ccc([N+](=O)[O-])c(Cl)c1)[C@H]1CC[N@@H+](C)C1 ZINC000843422116 630656312 /nfs/dbraw/zinc/65/63/12/630656312.db2.gz LLXXYPUKYYXILH-ZDUSSCGKSA-N 1 1 311.813 3.164 20 5 DGBDMO CCC[N@H+](Cc1ccc([N+](=O)[O-])c(Cl)c1)[C@H]1CCN(C)C1 ZINC000843422116 630656314 /nfs/dbraw/zinc/65/63/14/630656314.db2.gz LLXXYPUKYYXILH-ZDUSSCGKSA-N 1 1 311.813 3.164 20 5 DGBDMO CCC[N@@H+](Cc1ccc([N+](=O)[O-])c(Cl)c1)[C@H]1CCN(C)C1 ZINC000843422116 630656315 /nfs/dbraw/zinc/65/63/15/630656315.db2.gz LLXXYPUKYYXILH-ZDUSSCGKSA-N 1 1 311.813 3.164 20 5 DGBDMO C[C@@H]1C[C@H]1C(N)=[NH+]OCc1cc([N+](=O)[O-])ccc1C(F)(F)F ZINC000848516950 631673514 /nfs/dbraw/zinc/67/35/14/631673514.db2.gz BTDNAWUROUEWBG-GMSGAONNSA-N 1 1 317.267 3.268 20 5 DGBDMO CC(=O)c1cc([N+](=O)[O-])ccc1N[C@H]1CCC[N@H+]2CCCC[C@@H]12 ZINC000848787868 631748485 /nfs/dbraw/zinc/74/84/85/631748485.db2.gz XKRHXUOCVCYKAB-IRXDYDNUSA-N 1 1 317.389 3.226 20 5 DGBDMO O=[N+]([O-])c1ccc([C@@H](O)C[N@H+]2CC[C@@H]2c2ccc(F)cc2)cc1 ZINC000849328101 631892870 /nfs/dbraw/zinc/89/28/70/631892870.db2.gz ZRFHJOCVCVDRAN-SJORKVTESA-N 1 1 316.332 3.214 20 5 DGBDMO C[NH+]1CCC2(CCCN(Cc3ccc(F)cc3[N+](=O)[O-])C2)CC1 ZINC000852006985 632538181 /nfs/dbraw/zinc/53/81/81/632538181.db2.gz HPFUZUOLRLTUEZ-UHFFFAOYSA-N 1 1 321.396 3.042 20 5 DGBDMO O=[N+]([O-])c1ccc(Cl)c(C[N@H+](C2CC2)C2(CO)CCC2)c1 ZINC000852159172 632564975 /nfs/dbraw/zinc/56/49/75/632564975.db2.gz QIBXYGIXMQVFBV-UHFFFAOYSA-N 1 1 310.781 3.128 20 5 DGBDMO O=[N+]([O-])c1ccc(Cl)c(C[N@@H+](C2CC2)C2(CO)CCC2)c1 ZINC000852159172 632564977 /nfs/dbraw/zinc/56/49/77/632564977.db2.gz QIBXYGIXMQVFBV-UHFFFAOYSA-N 1 1 310.781 3.128 20 5 DGBDMO O=C(CC[N@H+]1CCC2(CCCC2)C1)Nc1ccc([N+](=O)[O-])cc1 ZINC000173821666 659402557 /nfs/dbraw/zinc/40/25/57/659402557.db2.gz NDVMZNNBJJFGJD-UHFFFAOYSA-N 1 1 317.389 3.190 20 5 DGBDMO O=[N+]([O-])c1ccc(Cl)cc1C[N@@H+]1CCC[C@@H]1[C@@H]1CCCO1 ZINC000792925143 660994365 /nfs/dbraw/zinc/99/43/65/660994365.db2.gz KFJCBMZUFXPBBS-CABCVRRESA-N 1 1 310.781 3.392 20 5 DGBDMO O=[N+]([O-])c1ccc(Cl)cc1C[N@H+]1CCC[C@@H]1[C@@H]1CCCO1 ZINC000792925143 660994367 /nfs/dbraw/zinc/99/43/67/660994367.db2.gz KFJCBMZUFXPBBS-CABCVRRESA-N 1 1 310.781 3.392 20 5 DGBDMO Cc1nn(C[N@@H+]2CCC(C)=C(C)C2)c2cc([N+](=O)[O-])ccc12 ZINC000794880372 661111302 /nfs/dbraw/zinc/11/13/02/661111302.db2.gz KUEGSVNSPXKYTC-UHFFFAOYSA-N 1 1 300.362 3.253 20 5 DGBDMO Cc1nn(C[N@H+]2CCC(C)=C(C)C2)c2cc([N+](=O)[O-])ccc12 ZINC000794880372 661111303 /nfs/dbraw/zinc/11/13/03/661111303.db2.gz KUEGSVNSPXKYTC-UHFFFAOYSA-N 1 1 300.362 3.253 20 5 DGBDMO CC(C)CCO[C@@H]1CC[N@H+](Cc2cc(F)ccc2[N+](=O)[O-])C1 ZINC000177375759 655600724 /nfs/dbraw/zinc/60/07/24/655600724.db2.gz KUTFQIGAGJPDPN-OAHLLOKOSA-N 1 1 310.369 3.371 20 5 DGBDMO CC(C)CCO[C@@H]1CC[N@@H+](Cc2cc(F)ccc2[N+](=O)[O-])C1 ZINC000177375759 655600725 /nfs/dbraw/zinc/60/07/25/655600725.db2.gz KUTFQIGAGJPDPN-OAHLLOKOSA-N 1 1 310.369 3.371 20 5 DGBDMO O=[N+]([O-])c1ccc(C[N@H+]2CCCSC[C@@H]2C2CC2)cc1F ZINC000933918356 655738182 /nfs/dbraw/zinc/73/81/82/655738182.db2.gz SLNGIEMUWDUQKQ-OAHLLOKOSA-N 1 1 310.394 3.451 20 5 DGBDMO O=[N+]([O-])c1cc(C[N@H+](CCO)C2CCCCC2)ccc1Cl ZINC000042503413 658844918 /nfs/dbraw/zinc/84/49/18/658844918.db2.gz GLTQWLCPKNSFOX-UHFFFAOYSA-N 1 1 312.797 3.375 20 5 DGBDMO CC(C)OC(=O)CC[N@H+](C)Cc1cc([N+](=O)[O-])ccc1Cl ZINC000172719470 659351649 /nfs/dbraw/zinc/35/16/49/659351649.db2.gz QURGPUOZZAGZRN-UHFFFAOYSA-N 1 1 314.769 3.022 20 5 DGBDMO CC(C)OC(=O)CC[N@@H+](C)Cc1cc([N+](=O)[O-])ccc1Cl ZINC000172719470 659351652 /nfs/dbraw/zinc/35/16/52/659351652.db2.gz QURGPUOZZAGZRN-UHFFFAOYSA-N 1 1 314.769 3.022 20 5 DGBDMO C[N@@H+](CCc1cccs1)Cn1ncc2ccc([N+](=O)[O-])cc21 ZINC000173405403 659385297 /nfs/dbraw/zinc/38/52/97/659385297.db2.gz OVNJWUAOLFVZPZ-UHFFFAOYSA-N 1 1 316.386 3.138 20 5 DGBDMO C[NH+](C)CCCC1CCN(Cc2cc(F)ccc2[N+](=O)[O-])CC1 ZINC000179703462 659938724 /nfs/dbraw/zinc/93/87/24/659938724.db2.gz SFVQPBXQWHVXFB-UHFFFAOYSA-N 1 1 323.412 3.288 20 5 DGBDMO CC[C@@H](CSC)[N@@H+](C)Cn1nc(C)c2ccc([N+](=O)[O-])cc21 ZINC000179785868 659941669 /nfs/dbraw/zinc/94/16/69/659941669.db2.gz HSOHBOCROAULJS-LBPRGKRZSA-N 1 1 322.434 3.284 20 5 DGBDMO CCc1onc(C)c1C[N@@H+](C)CCc1cccc([N+](=O)[O-])c1 ZINC000930354642 661391871 /nfs/dbraw/zinc/39/18/71/661391871.db2.gz RJZPNLRYROUREH-UHFFFAOYSA-N 1 1 303.362 3.128 20 5 DGBDMO O=[N+]([O-])c1cc(C[N@@H+]2C[C@@H]3C[C@]3(c3ccccc3)C2)cs1 ZINC000931931714 661523504 /nfs/dbraw/zinc/52/35/04/661523504.db2.gz YGPFKTXIUUUAJW-GOEBONIOSA-N 1 1 300.383 3.430 20 5 DGBDMO O=[N+]([O-])c1cc(C[N@H+]2C[C@@H]3C[C@]3(c3ccccc3)C2)cs1 ZINC000931931714 661523507 /nfs/dbraw/zinc/52/35/07/661523507.db2.gz YGPFKTXIUUUAJW-GOEBONIOSA-N 1 1 300.383 3.430 20 5 DGBDMO O=[N+]([O-])c1ccc(C[NH2+][C@H](c2ccccn2)C2CC2)cc1F ZINC000932380689 661564394 /nfs/dbraw/zinc/56/43/94/661564394.db2.gz DOGZIULYVWNULT-INIZCTEOSA-N 1 1 301.321 3.370 20 5 DGBDMO CCO[C@H]1CC[N@H+](Cc2cc([N+](=O)[O-])ccc2C(F)(F)F)C1 ZINC000932973722 661612248 /nfs/dbraw/zinc/61/22/48/661612248.db2.gz KPSGVBQZZPZFTH-LBPRGKRZSA-N 1 1 318.295 3.224 20 5 DGBDMO CCO[C@H]1CC[N@@H+](Cc2cc([N+](=O)[O-])ccc2C(F)(F)F)C1 ZINC000932973722 661612249 /nfs/dbraw/zinc/61/22/49/661612249.db2.gz KPSGVBQZZPZFTH-LBPRGKRZSA-N 1 1 318.295 3.224 20 5 DGBDMO CCOc1ccc([N+](=O)[O-])cc1C[NH2+][C@@H](C)c1cncs1 ZINC000934199422 661686583 /nfs/dbraw/zinc/68/65/83/661686583.db2.gz WRHDPCOYUCKBPG-JTQLQIEISA-N 1 1 307.375 3.301 20 5 DGBDMO O=[N+]([O-])c1ccc(F)cc1C[N@H+]1CCCC[C@@H]([C@@H]2CCOC2)C1 ZINC000934840908 661740537 /nfs/dbraw/zinc/74/05/37/661740537.db2.gz GKCDHDNRCXKIHR-ZIAGYGMSSA-N 1 1 322.380 3.373 20 5 DGBDMO O=[N+]([O-])c1cccc(C[NH2+][C@H]2COc3ccc(Cl)cc32)c1 ZINC001620855373 1192463038 /nfs/dbraw/zinc/46/30/38/1192463038.db2.gz UZIBCJFHQYPDAQ-AWEZNQCLSA-N 1 1 304.733 3.472 20 5 DGBDMO CC[N@H+]1CCC[C@H](CN[C@@H](C)c2c(F)cccc2[N+](=O)[O-])C1 ZINC001332280176 1178410919 /nfs/dbraw/zinc/41/09/19/1178410919.db2.gz ZXTAPDFZOBDCDC-QWHCGFSZSA-N 1 1 309.385 3.116 20 5 DGBDMO Cc1ccc(C[N@H+](Cc2ccccc2)[C@H](C)CO)cc1[N+](=O)[O-] ZINC001333007386 1178539133 /nfs/dbraw/zinc/53/91/33/1178539133.db2.gz BGFHIVKVYWZZAJ-OAHLLOKOSA-N 1 1 314.385 3.286 20 5 DGBDMO Cc1cc(C[N@H+]2CCC[C@@H](c3ccc([N+](=O)[O-])cc3)C2)[nH]n1 ZINC001344075999 1179375869 /nfs/dbraw/zinc/37/58/69/1179375869.db2.gz QUNWNBDAEIQODM-CQSZACIVSA-N 1 1 300.362 3.006 20 5 DGBDMO CCC[N@H+]1CCCC[C@@H]1C(=O)N[C@@H](C)c1ccc([N+](=O)[O-])cc1 ZINC001350943515 1180148001 /nfs/dbraw/zinc/14/80/01/1180148001.db2.gz FBJJEHGWIUCJQO-XJKSGUPXSA-N 1 1 319.405 3.037 20 5 DGBDMO C[N@H+]1CC[C@H](NCc2cc([N+](=O)[O-])ccc2Cl)CC1(C)C ZINC001351315731 1180198518 /nfs/dbraw/zinc/19/85/18/1180198518.db2.gz QNSMIAFWFUILGI-LBPRGKRZSA-N 1 1 311.813 3.211 20 5 DGBDMO C[N@@H+](CCNc1nc2c(cc1[N+](=O)[O-])CCCC2)C1CCCC1 ZINC001458166617 1182502184 /nfs/dbraw/zinc/50/21/84/1182502184.db2.gz MUHQHYHVNWGXPM-UHFFFAOYSA-N 1 1 318.421 3.155 20 5 DGBDMO O=[N+]([O-])c1ccccc1C[N@H+]1CC[C@H](Oc2ccc(F)cc2)C1 ZINC001460731916 1182713795 /nfs/dbraw/zinc/71/37/95/1182713795.db2.gz BKVUPOKCQZYNON-INIZCTEOSA-N 1 1 316.332 3.387 20 5 DGBDMO Cc1ccc(C[N@H+](C)C[C@]23CCC[C@H]2OCC3)cc1[N+](=O)[O-] ZINC001460970224 1182747208 /nfs/dbraw/zinc/74/72/08/1182747208.db2.gz FUOXTTPWJMSMNE-IAGOWNOFSA-N 1 1 304.390 3.294 20 5 DGBDMO CC(C)(C)[C@H]1CC[N@H+](Cc2ccc(F)cc2[N+](=O)[O-])CCO1 ZINC001460981238 1182750456 /nfs/dbraw/zinc/75/04/56/1182750456.db2.gz VRTXZHYQTDAQLG-OAHLLOKOSA-N 1 1 310.369 3.371 20 5 DGBDMO CC(C)(C)[C@H]1CC[N@@H+](Cc2ccc(F)cc2[N+](=O)[O-])CCO1 ZINC001460981238 1182750460 /nfs/dbraw/zinc/75/04/60/1182750460.db2.gz VRTXZHYQTDAQLG-OAHLLOKOSA-N 1 1 310.369 3.371 20 5 DGBDMO O=[N+]([O-])c1cccc(CC[NH2+]Cc2c[nH]c(-c3ccccc3)n2)c1 ZINC001461406972 1182807214 /nfs/dbraw/zinc/80/72/14/1182807214.db2.gz YWGWOQMQNKELCH-UHFFFAOYSA-N 1 1 322.368 3.317 20 5 DGBDMO COc1c(O)ccc(C[N@H+]2CCC[C@H](C(C)C)C2)c1[N+](=O)[O-] ZINC001462106515 1182908090 /nfs/dbraw/zinc/90/80/90/1182908090.db2.gz RHQRXDUXVUDDFU-LBPRGKRZSA-N 1 1 308.378 3.177 20 5 DGBDMO CCCC[N@H+]1CCCC[C@H]1CNc1nc(C)ccc1[N+](=O)[O-] ZINC001472675043 1183664937 /nfs/dbraw/zinc/66/49/37/1183664937.db2.gz KDDOHAXPEJGUPG-AWEZNQCLSA-N 1 1 306.410 3.365 20 5 DGBDMO COC[C@@H](C[N@@H+](Cc1cccc([N+](=O)[O-])c1)C1CC1)C(C)C ZINC001473233340 1183734032 /nfs/dbraw/zinc/73/40/32/1183734032.db2.gz KOLQTMVDZYXMPB-OAHLLOKOSA-N 1 1 306.406 3.478 20 5 DGBDMO CCOc1cc(C[N@H+]2CCSCC[C@H]2C)ccc1[N+](=O)[O-] ZINC001473445550 1183757997 /nfs/dbraw/zinc/75/79/97/1183757997.db2.gz PDDCHYNQDKWZEA-GFCCVEGCSA-N 1 1 310.419 3.321 20 5 DGBDMO C[C@@]1(c2ccc(C(F)(F)F)cc2)CCC[N@H+]1CC[N+](=O)[O-] ZINC001473722881 1183793554 /nfs/dbraw/zinc/79/35/54/1183793554.db2.gz RFRWSCOQVUJBLZ-ZDUSSCGKSA-N 1 1 302.296 3.293 20 5 DGBDMO Cc1ccc([N+](=O)[O-])c(C)c1C[N@@H+](C)C[C@H]1CCCC[C@@H]1O ZINC001474391309 1183914298 /nfs/dbraw/zinc/91/42/98/1183914298.db2.gz LOKGLCSWXMUIEB-PBHICJAKSA-N 1 1 306.406 3.195 20 5 DGBDMO COc1c(O)ccc(C[N@H+]2CC[C@@H]3CCCC[C@H]3C2)c1[N+](=O)[O-] ZINC001474403177 1183915245 /nfs/dbraw/zinc/91/52/45/1183915245.db2.gz ZVACOEPYUGVKJO-STQMWFEESA-N 1 1 320.389 3.321 20 5 DGBDMO Cc1ccc([N+](=O)[O-])c(C)c1C[N@H+]1CCC[C@@H](C(C)(C)O)C1 ZINC001474697722 1183963640 /nfs/dbraw/zinc/96/36/40/1183963640.db2.gz CPNXBEVFLFXQLY-CQSZACIVSA-N 1 1 306.406 3.195 20 5 DGBDMO Cc1ccc([N+](=O)[O-])c(C)c1C[N@H+]1CCc2cc(O)ccc2C1 ZINC001474757998 1183973863 /nfs/dbraw/zinc/97/38/63/1183973863.db2.gz VZPIRRVWFDQUON-UHFFFAOYSA-N 1 1 312.369 3.476 20 5 DGBDMO C[N@H+]1CCCC[C@H]1CNc1ccc2cnccc2c1[N+](=O)[O-] ZINC001613026602 1193466237 /nfs/dbraw/zinc/46/62/37/1193466237.db2.gz HNVSBSOYTUWGQS-ZDUSSCGKSA-N 1 1 300.362 3.039 20 5 DGBDMO Cc1cccc(C[N@H+](Cc2cn(C)nc2[N+](=O)[O-])CC(C)C)c1 ZINC001615285438 1193519609 /nfs/dbraw/zinc/51/96/09/1193519609.db2.gz DWIIXPVEJIZKHZ-UHFFFAOYSA-N 1 1 316.405 3.295 20 5 DGBDMO Cc1ccc([C@H](C)OC(=O)[C@H]2CCC[N@H+]2C(C)C)cc1[N+](=O)[O-] ZINC001533850857 1187855891 /nfs/dbraw/zinc/85/58/91/1187855891.db2.gz VAHVWXPFMARHHW-DZGCQCFKSA-N 1 1 320.389 3.380 20 5 DGBDMO Cc1ccc([C@H](C)OC(=O)[C@H]2CCC[N@@H+]2C(C)C)cc1[N+](=O)[O-] ZINC001533850857 1187855894 /nfs/dbraw/zinc/85/58/94/1187855894.db2.gz VAHVWXPFMARHHW-DZGCQCFKSA-N 1 1 320.389 3.380 20 5 DGBDMO C[C@@H]([NH2+]Cc1ccc(F)cc1[N+](=O)[O-])c1cccc([N+](=O)[O-])c1 ZINC001616700263 1193545817 /nfs/dbraw/zinc/54/58/17/1193545817.db2.gz SVYAAWMVMDRUJC-SNVBAGLBSA-N 1 1 319.292 3.493 20 5 DGBDMO CC(C)(C)[N@H+]1CC[C@H](Nc2ncc([N+](=O)[O-])c3ccccc32)C1 ZINC001559235061 1189184682 /nfs/dbraw/zinc/18/46/82/1189184682.db2.gz VNQUNLXOMNMXIN-LBPRGKRZSA-N 1 1 314.389 3.428 20 5 DGBDMO O=[N+]([O-])c1cc(F)c(NC[C@@H]2CC[N@H+]2C2CCCC2)c(F)c1 ZINC001559251941 1189186751 /nfs/dbraw/zinc/18/67/51/1189186751.db2.gz NIDULXKVVMSHLI-NSHDSACASA-N 1 1 311.332 3.302 20 5 DGBDMO Cc1cc(N2CC[N@H+](C)[C@@H](C(C)(C)C)C2)c(F)cc1[N+](=O)[O-] ZINC001559266598 1189189511 /nfs/dbraw/zinc/18/95/11/1189189511.db2.gz HGQFCYDQQWAAIG-OAHLLOKOSA-N 1 1 309.385 3.209 20 5 DGBDMO CC[C@@H]1CC[N@@H+]([C@@H](C)C(=O)Nc2cccc([N+](=O)[O-])c2)[C@H]1C ZINC001559768531 1189240124 /nfs/dbraw/zinc/24/01/24/1189240124.db2.gz GTRQVJDYFXDQEU-RWMBFGLXSA-N 1 1 305.378 3.042 20 5 DGBDMO CO[C@@H]1C[C@H]([N@@H+](C)Cc2ccc(C)c([N+](=O)[O-])c2)C12CCC2 ZINC001559839895 1189247246 /nfs/dbraw/zinc/24/72/46/1189247246.db2.gz QSMMFVCPXDNCOW-JKSUJKDBSA-N 1 1 304.390 3.293 20 5 DGBDMO Cc1ncc([N+](=O)[O-])n1CC[N@H+]1CC[C@H]([C@H]2CCCC2(C)C)C1 ZINC001559937232 1189259141 /nfs/dbraw/zinc/25/91/41/1189259141.db2.gz XGFHITCGFAENCY-LSDHHAIUSA-N 1 1 320.437 3.248 20 5 DGBDMO O=[N+]([O-])c1cccc(F)c1C[N@@H+]1CCCC[C@H]1[C@@H]1CCCO1 ZINC001560224224 1189293484 /nfs/dbraw/zinc/29/34/84/1189293484.db2.gz ROGKARMLDIMFAF-HOTGVXAUSA-N 1 1 308.353 3.267 20 5 DGBDMO O=[N+]([O-])c1cccc(F)c1C[N@H+]1CCCC[C@H]1[C@@H]1CCCO1 ZINC001560224224 1189293487 /nfs/dbraw/zinc/29/34/87/1189293487.db2.gz ROGKARMLDIMFAF-HOTGVXAUSA-N 1 1 308.353 3.267 20 5 DGBDMO Cc1ccc([N+](=O)[O-])c(C)c1C[N@H+]1CCOCC2(CCC2)C1 ZINC001560745391 1189371986 /nfs/dbraw/zinc/37/19/86/1189371986.db2.gz MSOGVTPTBDVSAT-UHFFFAOYSA-N 1 1 304.390 3.214 20 5 DGBDMO O=[N+]([O-])c1ccc([C@@H]2CCC[N@H+](CC3(O)CCCCC3)C2)cc1 ZINC001618027357 1193721811 /nfs/dbraw/zinc/72/18/11/1193721811.db2.gz LVHHNIMEGLMZFF-MRXNPFEDSA-N 1 1 318.417 3.469 20 5 DGBDMO COc1c(O)ccc(C[N@H+]2CC[C@H](C)C(C)(C)C2)c1[N+](=O)[O-] ZINC001621233150 1193819681 /nfs/dbraw/zinc/81/96/81/1193819681.db2.gz HCZUNPKYBGYSCY-NSHDSACASA-N 1 1 308.378 3.177 20 5 DGBDMO Cn1c2ccccc2[nH+]c1NCc1ccc([N+](=O)[O-])cc1F ZINC001621577419 1193861584 /nfs/dbraw/zinc/86/15/84/1193861584.db2.gz UBRHZSNTWXKBKN-UHFFFAOYSA-N 1 1 300.293 3.233 20 5 DGBDMO CCC[N@@H+](Cc1cccnc1[N+](=O)[O-])[C@@H]1C[C@H](OCC)C1(C)C ZINC001641817397 1194872986 /nfs/dbraw/zinc/87/29/86/1194872986.db2.gz UILYUTNDQZMFQJ-CABCVRRESA-N 1 1 321.421 3.405 20 5 DGBDMO Cc1ccc([N+](=O)[O-])cc1[C@@H](C)[N@@H+]1C[C@@H]2C[C@H](O)CC[C@@H]2C1 ZINC001643810957 1195056616 /nfs/dbraw/zinc/05/66/16/1195056616.db2.gz HOEBVSRXNFYQJE-HGTKMLMNSA-N 1 1 304.390 3.057 20 5 DGBDMO C[N@@H+](CCc1ccccc1[N+](=O)[O-])C[C@@H]1CCCC(C)(C)O1 ZINC001645598482 1195194135 /nfs/dbraw/zinc/19/41/35/1195194135.db2.gz BDECKAOQUHFAKV-HNNXBMFYSA-N 1 1 306.406 3.417 20 5 DGBDMO O=[N+]([O-])c1cccc(C[NH+]2CCN(c3cccc(F)c3)CC2)c1 ZINC001648064094 1195274884 /nfs/dbraw/zinc/27/48/84/1195274884.db2.gz APJCELKYZWUALI-UHFFFAOYSA-N 1 1 315.348 3.056 20 5 DGBDMO CN(C[C@H]1CCC[N@H+]1C)c1c(Cl)cc([N+](=O)[O-])cc1Cl ZINC001651166352 1195422064 /nfs/dbraw/zinc/42/20/64/1195422064.db2.gz OCNBBUHSEINGLB-SECBINFHSA-N 1 1 318.204 3.432 20 5 DGBDMO C[N@H+]1C[C@@]2(C)CN(c3ccc([N+](=O)[O-])cc3Cl)C[C@@]2(C)C1 ZINC001651302167 1195441170 /nfs/dbraw/zinc/44/11/70/1195441170.db2.gz ZMRWLSVFLKBRRC-GASCZTMLSA-N 1 1 309.797 3.026 20 5 DGBDMO C[C@@H](CNc1c(F)cc([N+](=O)[O-])cc1F)[N@H+]1CCC[C@@H](C)C1 ZINC001651373620 1195451365 /nfs/dbraw/zinc/45/13/65/1195451365.db2.gz JKUVEPBRVJNWCX-MNOVXSKESA-N 1 1 313.348 3.405 20 5 DGBDMO Cc1nocc1C[NH2+]Cc1ccc(-c2ccccc2[N+](=O)[O-])o1 ZINC001651404905 1195455542 /nfs/dbraw/zinc/45/55/42/1195455542.db2.gz NQKPIIQIDPAHAX-UHFFFAOYSA-N 1 1 313.313 3.441 20 5 DGBDMO CC(C)C[N@@H+](CCc1ccccc1)Cc1cn(C)nc1[N+](=O)[O-] ZINC001652354524 1195586748 /nfs/dbraw/zinc/58/67/48/1195586748.db2.gz WCDUFCRXFBLMGX-UHFFFAOYSA-N 1 1 316.405 3.029 20 5 DGBDMO C/C(=C/c1cccc([N+](=O)[O-])c1)C[N@H+]1CC(C)(C)[C@H]2COC[C@H]21 ZINC001652654603 1195633219 /nfs/dbraw/zinc/63/32/19/1195633219.db2.gz MQJCLIFMTZJUAY-QIDGOZRWSA-N 1 1 316.401 3.355 20 5 DGBDMO C[C@H]([NH2+]CC[N+](=O)[O-])c1ccccc1OCc1ccccc1 ZINC001653157582 1195694244 /nfs/dbraw/zinc/69/42/44/1195694244.db2.gz PSPHOHGWNNTADI-AWEZNQCLSA-N 1 1 300.358 3.193 20 5 DGBDMO O=[N+]([O-])c1cccc(OCC[N@@H+](CC2CC2)CC2CCC2)c1 ZINC001653423909 1195718628 /nfs/dbraw/zinc/71/86/28/1195718628.db2.gz QAFPWTOEYBYNFA-UHFFFAOYSA-N 1 1 304.390 3.486 20 5 DGBDMO Cc1ccc(C[N@H+](CCO)[C@@H](C)c2ccccc2)cc1[N+](=O)[O-] ZINC001653830164 1195753544 /nfs/dbraw/zinc/75/35/44/1195753544.db2.gz IYSGMGXUCGHYDW-HNNXBMFYSA-N 1 1 314.385 3.459 20 5 DGBDMO CC[N@@H+]1[C@H](C)CN(Cc2ccc([N+](=O)[O-])cc2Cl)C[C@@H]1C ZINC001654906899 1195853341 /nfs/dbraw/zinc/85/33/41/1195853341.db2.gz CZBBCASEZKIEBC-TXEJJXNPSA-N 1 1 311.813 3.163 20 5 DGBDMO C[C@@]12CSC[C@@H]1C[N@@H+](Cc1cc([N+](=O)[O-])ccc1Cl)C2 ZINC001655017006 1195865127 /nfs/dbraw/zinc/86/51/27/1195865127.db2.gz NDCLVFKAXBYHNX-SMDDNHRTSA-N 1 1 312.822 3.433 20 5 DGBDMO C[C@@H]1CSCCC[N@H+]1CCCOc1ccc([N+](=O)[O-])cc1 ZINC001655828018 1195967341 /nfs/dbraw/zinc/96/73/41/1195967341.db2.gz XPRGLXNLHDGVEO-CYBMUJFWSA-N 1 1 310.419 3.191 20 5 DGBDMO COc1cc(NCc2c[nH+]c3n2CCC3)c(Cl)cc1[N+](=O)[O-] ZINC001655856525 1195969851 /nfs/dbraw/zinc/96/98/51/1195969851.db2.gz ORCVSDABWLKQCM-UHFFFAOYSA-N 1 1 322.752 3.012 20 5 DGBDMO Cc1ccc(NCCNc2ccc([N+](=O)[O-])c3cnccc23)[nH+]c1 ZINC001655881301 1195973219 /nfs/dbraw/zinc/97/32/19/1195973219.db2.gz KLZVIICPRIQCGJ-UHFFFAOYSA-N 1 1 323.356 3.370 20 5 DGBDMO CC[C@]1(C)CCC[N@@H+](Cc2ccc(O)c(OC)c2[N+](=O)[O-])C1 ZINC001657251917 1196123953 /nfs/dbraw/zinc/12/39/53/1196123953.db2.gz ALBVHZHQQCXLTD-MRXNPFEDSA-N 1 1 308.378 3.321 20 5 DGBDMO Cc1cc(C[NH2+]Cc2cc([N+](=O)[O-])ccc2Cl)cnc1F ZINC001657556670 1196154671 /nfs/dbraw/zinc/15/46/71/1196154671.db2.gz REZBVYWBTBEDDW-UHFFFAOYSA-N 1 1 309.728 3.381 20 5 DGBDMO Cc1cccc(C)c1OC[C@H]([NH2+]CC[N+](=O)[O-])c1ccccc1 ZINC001657936722 1196194426 /nfs/dbraw/zinc/19/44/26/1196194426.db2.gz LYARMJOHHGCRNV-KRWDZBQOSA-N 1 1 314.385 3.290 20 5 DGBDMO COc1ccc(OCC[N@@H+](C)[C@@H]2CCC(C)(C)C2)c([N+](=O)[O-])c1 ZINC001658515762 1196268892 /nfs/dbraw/zinc/26/88/92/1196268892.db2.gz MYFJBGISVVPYHE-CYBMUJFWSA-N 1 1 322.405 3.493 20 5 DGBDMO Cc1ccc([N+](=O)[O-])c(C)c1C[N@H+]1C[C@@H](C)O[C@H](C2CC2)C1 ZINC001659061916 1196339375 /nfs/dbraw/zinc/33/93/75/1196339375.db2.gz OMRJDWWXSGGMJM-PXAZEXFGSA-N 1 1 304.390 3.211 20 5 DGBDMO Cc1ccc([N+](=O)[O-])c(C)c1C[N@@H+]1C[C@@H](C)O[C@H](C2CC2)C1 ZINC001659061916 1196339380 /nfs/dbraw/zinc/33/93/80/1196339380.db2.gz OMRJDWWXSGGMJM-PXAZEXFGSA-N 1 1 304.390 3.211 20 5 DGBDMO O=[N+]([O-])c1ccc(OC2C[NH+](C[C@H]3CCc4ccccc43)C2)cc1 ZINC001659983902 1196434561 /nfs/dbraw/zinc/43/45/61/1196434561.db2.gz MDXLUOHMQXWPMU-OAHLLOKOSA-N 1 1 324.380 3.388 20 5 DGBDMO CC[C@@H]1CCCC[N@H+]1CCNCc1cccc([N+](=O)[O-])c1C ZINC001661391245 1196601061 /nfs/dbraw/zinc/60/10/61/1196601061.db2.gz OBYSARJVHKZQFT-MRXNPFEDSA-N 1 1 305.422 3.257 20 5 DGBDMO CC[C@@H]1CCCCN1CC[NH2+]Cc1cccc([N+](=O)[O-])c1C ZINC001661391245 1196601066 /nfs/dbraw/zinc/60/10/66/1196601066.db2.gz OBYSARJVHKZQFT-MRXNPFEDSA-N 1 1 305.422 3.257 20 5 DGBDMO COc1c(O)ccc(C[N@@H+](CC2CCC2)C(C)C)c1[N+](=O)[O-] ZINC001664498847 1197007363 /nfs/dbraw/zinc/00/73/63/1197007363.db2.gz UHIRZNTVBOUJGA-UHFFFAOYSA-N 1 1 308.378 3.320 20 5 DGBDMO C/C=C\C[C@@H]1CCC[N@H+](Cc2ccc(O)c(OC)c2[N+](=O)[O-])C1 ZINC001665377775 1197129993 /nfs/dbraw/zinc/12/99/93/1197129993.db2.gz GNFRXENRCJSWGX-DHCBQETCSA-N 1 1 320.389 3.487 20 5 DGBDMO Cc1ncc([N+](=O)[O-])n1CC[N@@H+]1CC[C@H](C)C2(CCCCC2)C1 ZINC001169541976 1081587906 /nfs/dbraw/zinc/58/79/06/1081587906.db2.gz WTWISJZUPPPRAV-AWEZNQCLSA-N 1 1 320.437 3.392 20 5 DGBDMO C[NH+](C)/C=C/c1cc(N2CC(c3ccccc3)C2)ncc1[N+](=O)[O-] ZINC001167065668 1081627383 /nfs/dbraw/zinc/62/73/83/1081627383.db2.gz VALYHGRHTMIQJV-CMDGGOBGSA-N 1 1 324.384 3.126 20 5 DGBDMO C[NH+](C)CCc1ccc(Nc2ccc(O)c([N+](=O)[O-])c2)cc1 ZINC001210397777 1081956627 /nfs/dbraw/zinc/95/66/27/1081956627.db2.gz HJMKPHKOPKLKRP-UHFFFAOYSA-N 1 1 301.346 3.148 20 5 DGBDMO COc1ccc(C[C@H](C)[N@H+]2CC[C@](C)(CF)C2)c([N+](=O)[O-])c1 ZINC001170328716 1082347741 /nfs/dbraw/zinc/34/77/41/1082347741.db2.gz LQVSCQALEOLRFD-BLLLJJGKSA-N 1 1 310.369 3.216 20 5 DGBDMO COc1ccc(C[C@@H](C)[N@H+]2CCCC[C@@H](F)C2)c([N+](=O)[O-])c1 ZINC001170329779 1082347796 /nfs/dbraw/zinc/34/77/96/1082347796.db2.gz UHZIFHVLBUQJIM-TZMCWYRMSA-N 1 1 310.369 3.358 20 5 DGBDMO COc1ccc(C[C@H](C)[N@@H+](C)C[C@H]2CCCCO2)c([N+](=O)[O-])c1 ZINC001170345424 1082357056 /nfs/dbraw/zinc/35/70/56/1082357056.db2.gz KGHNZAFHNYFHOW-XJKSGUPXSA-N 1 1 322.405 3.035 20 5 DGBDMO COc1ccc(C[C@@H]2CC[N@H+]2Cc2cccc([N+](=O)[O-])c2)cc1 ZINC001167633309 1082627194 /nfs/dbraw/zinc/62/71/94/1082627194.db2.gz DKMOXDYFADULMP-INIZCTEOSA-N 1 1 312.369 3.420 20 5 DGBDMO CC[N@H+]1CC[C@@H]1CNc1cc(C)c(C(F)(F)F)cc1[N+](=O)[O-] ZINC001187423836 1084799866 /nfs/dbraw/zinc/79/98/66/1084799866.db2.gz XIFZZDFRMWXECZ-SNVBAGLBSA-N 1 1 317.311 3.428 20 5 DGBDMO CC(C)[N@H+]1CCN(c2nc3ccccc3cc2[N+](=O)[O-])C[C@@H]1C ZINC001158494958 1087867357 /nfs/dbraw/zinc/86/73/57/1087867357.db2.gz FLBKDWNXFQOOGE-ZDUSSCGKSA-N 1 1 314.389 3.062 20 5 DGBDMO C[N@H+]1CCC[C@@H]1CCNc1nc(Cl)cc(Cl)c1[N+](=O)[O-] ZINC001160964340 1089046767 /nfs/dbraw/zinc/04/67/67/1089046767.db2.gz LZWSLHBYBMBVBY-MRVPVSSYSA-N 1 1 319.192 3.193 20 5 DGBDMO O=[N+]([O-])c1cnc(NCc2[nH+]cn3ccccc23)c2ccccc21 ZINC001161684279 1089344487 /nfs/dbraw/zinc/34/44/87/1089344487.db2.gz MSSJKOOBAHNLCQ-UHFFFAOYSA-N 1 1 319.324 3.403 20 5 DGBDMO O=[N+]([O-])c1ccc2c(ccnc2NCc2[nH+]cn3ccccc23)c1 ZINC001161687605 1089347564 /nfs/dbraw/zinc/34/75/64/1089347564.db2.gz ZDIKCRBPGOBEQV-UHFFFAOYSA-N 1 1 319.324 3.403 20 5 DGBDMO Cc1cc([N+](=O)[O-])c(NCC[C@@H]2CCC[N@H+](C)C2)nc1Cl ZINC001156379964 1089496817 /nfs/dbraw/zinc/49/68/17/1089496817.db2.gz XQMFDTDTDIPCMZ-NSHDSACASA-N 1 1 312.801 3.095 20 5 DGBDMO CC(C)(C)[NH+]1CC(Nc2nc(Cl)c(Cl)cc2[N+](=O)[O-])C1 ZINC001162221444 1089614296 /nfs/dbraw/zinc/61/42/96/1089614296.db2.gz NCCIFOHFTDRAPN-UHFFFAOYSA-N 1 1 319.192 3.191 20 5 DGBDMO C[N@H+]1CCC[C@@](C)(Nc2ccc3c(cccc3[N+](=O)[O-])n2)C1 ZINC001162341374 1089684083 /nfs/dbraw/zinc/68/40/83/1089684083.db2.gz LQQCBXKUBBEEMR-MRXNPFEDSA-N 1 1 300.362 3.039 20 5 DGBDMO Cc1cc(NCc2ccc(N)[nH+]c2C)nc2ccc([N+](=O)[O-])cc12 ZINC001156974498 1089769995 /nfs/dbraw/zinc/76/99/95/1089769995.db2.gz KZRIITAGSZAYTE-UHFFFAOYSA-N 1 1 323.356 3.349 20 5 DGBDMO C[N@H+]1CCCC(C)(C)[C@H]1CNc1c([N+](=O)[O-])cccc1[N+](=O)[O-] ZINC001163232095 1090127947 /nfs/dbraw/zinc/12/79/47/1090127947.db2.gz OZLYDEUTJLLBJE-CYBMUJFWSA-N 1 1 322.365 3.035 20 5 DGBDMO C[N@H+]1C[C@@H](CNc2sccc2[N+](=O)[O-])[C@H](c2ccccc2)C1 ZINC001163576797 1090214646 /nfs/dbraw/zinc/21/46/46/1090214646.db2.gz IBKOPWUQMPSYQW-KGLIPLIRSA-N 1 1 317.414 3.414 20 5 DGBDMO Cc1cc(NC[C@@H]2CC[N@@H+]2C)c([N+](=O)[O-])cc1C(F)(F)F ZINC001164191140 1090368549 /nfs/dbraw/zinc/36/85/49/1090368549.db2.gz YUWMJIKBWBCHJG-VIFPVBQESA-N 1 1 303.284 3.038 20 5 DGBDMO C[N@H+]1CCC[C@H](CCNc2cc3cc[nH]c3c([N+](=O)[O-])c2)C1 ZINC001165278702 1090495198 /nfs/dbraw/zinc/49/51/98/1090495198.db2.gz KRFNUEBWNSULDC-GFCCVEGCSA-N 1 1 302.378 3.220 20 5 DGBDMO Cc1cc(C)c([N+](=O)[O-])c(N[C@H]2CC[N@@H+](CC3CCCC3)C2)n1 ZINC001161186221 1091510729 /nfs/dbraw/zinc/51/07/29/1091510729.db2.gz DRVQQFYKRZQJPN-HNNXBMFYSA-N 1 1 318.421 3.283 20 5 DGBDMO C[N@H+]1CCN(c2cc(Cl)ccc2[N+](=O)[O-])C[C@@H]1C(C)(C)C ZINC001307196671 1091593156 /nfs/dbraw/zinc/59/31/56/1091593156.db2.gz XWLCOKPQHPEKFR-CQSZACIVSA-N 1 1 311.813 3.415 20 5 DGBDMO C[N@@H+](Cc1nc2ccccc2s1)[C@H]1CC[C@H](C[N+](=O)[O-])C1 ZINC001169013396 1092488304 /nfs/dbraw/zinc/48/83/04/1092488304.db2.gz UUQGPIGGWINDJG-RYUDHWBXSA-N 1 1 305.403 3.174 20 5 DGBDMO COc1ccc([C@@H]2CCC[N@H+]2[C@H]2CC[C@@H](C[N+](=O)[O-])C2)cc1 ZINC001169026407 1092507225 /nfs/dbraw/zinc/50/72/25/1092507225.db2.gz LSNJTPCIPVKPPS-KMFMINBZSA-N 1 1 304.390 3.278 20 5 DGBDMO Cc1ccc([C@H](C)[NH2+]Cc2nccn2C2CC2)cc1[N+](=O)[O-] ZINC001120249852 1094394830 /nfs/dbraw/zinc/39/48/30/1094394830.db2.gz PXVQWNPSWBRPIV-LBPRGKRZSA-N 1 1 300.362 3.285 20 5 DGBDMO C[C@H]1C[N@H+](C2CC2)C[C@@H]1Nc1nccc2cc([N+](=O)[O-])ccc21 ZINC001337066212 1094839082 /nfs/dbraw/zinc/83/90/82/1094839082.db2.gz FUWDCYIONANMSX-ZBEGNZNMSA-N 1 1 312.373 3.038 20 5 DGBDMO C[N@@H+](CCCO)Cc1ccc(-c2ccc(Cl)cc2[N+](=O)[O-])o1 ZINC001339892491 1095769357 /nfs/dbraw/zinc/76/93/57/1095769357.db2.gz HNCLNXJEMPAIPA-UHFFFAOYSA-N 1 1 324.764 3.322 20 5 DGBDMO CC(C)[N@H+]1CCC[C@@H](OCc2nc3cc([N+](=O)[O-])ccc3o2)C1 ZINC001222932608 1095793584 /nfs/dbraw/zinc/79/35/84/1095793584.db2.gz XJGWCPVGFBYOMN-CYBMUJFWSA-N 1 1 319.361 3.125 20 5 DGBDMO C[C@@H](O[C@H]1[C@@H]2CCC[C@H]1C[N@H+](C)C2)c1ccc([N+](=O)[O-])cc1 ZINC001224023818 1096117789 /nfs/dbraw/zinc/11/77/89/1096117789.db2.gz ZXRQRZHZKWCONP-UTXMOHQDSA-N 1 1 304.390 3.403 20 5 DGBDMO CC[N@H+]1CCC[C@H](Oc2cc(C(F)(F)F)ccc2[N+](=O)[O-])C1 ZINC001226303495 1096657348 /nfs/dbraw/zinc/65/73/48/1096657348.db2.gz QHSMHAKCUOIDAO-NSHDSACASA-N 1 1 318.295 3.477 20 5 DGBDMO CC[N@H+]1CC[C@@H](Oc2ccc([N+](=O)[O-])cc2C(F)(F)F)C1 ZINC001226311420 1096658176 /nfs/dbraw/zinc/65/81/76/1096658176.db2.gz QXFFVEPFAWZVCI-SNVBAGLBSA-N 1 1 304.268 3.087 20 5 DGBDMO CC[N@H+]1CC[C@H](Oc2ccc3c(c2)oc(=O)c2ccccc32)C1 ZINC001226512173 1096709527 /nfs/dbraw/zinc/70/95/27/1096709527.db2.gz OOZSSMRRQJHTNO-AWEZNQCLSA-N 1 1 309.365 3.419 20 5 DGBDMO CC(C)[N@H+]1CCC[C@H](Oc2c(F)cc([N+](=O)[O-])cc2F)C1 ZINC001226747776 1096767005 /nfs/dbraw/zinc/76/70/05/1096767005.db2.gz DPMAIKQGROWEEE-NSHDSACASA-N 1 1 300.305 3.125 20 5 DGBDMO O=[N+]([O-])c1ccc(OC2CC[NH+](CCF)CC2)c(Cl)c1 ZINC001226761839 1096769954 /nfs/dbraw/zinc/76/99/54/1096769954.db2.gz HGEHFCTXHYJBJL-UHFFFAOYSA-N 1 1 302.733 3.061 20 5 DGBDMO Cc1ccc(N2CCC[C@H](Oc3cccc([N+](=O)[O-])c3)C2)[nH+]c1 ZINC001226763228 1096770688 /nfs/dbraw/zinc/77/06/88/1096770688.db2.gz MQZJTNBCGUZAIS-INIZCTEOSA-N 1 1 313.357 3.346 20 5 DGBDMO O=[N+]([O-])c1ccccc1O[C@H]1CCN2Cc3ccccc3[NH+]=C12 ZINC001227483937 1096939329 /nfs/dbraw/zinc/93/93/29/1096939329.db2.gz FHPMUSVLBLGJEW-INIZCTEOSA-N 1 1 309.325 3.292 20 5 DGBDMO Cc1ccc(N2CCC[C@H](Oc3ccccc3[N+](=O)[O-])C2)[nH+]c1 ZINC001227484317 1096939509 /nfs/dbraw/zinc/93/95/09/1096939509.db2.gz MEIHYNGTYRNAAY-AWEZNQCLSA-N 1 1 313.357 3.346 20 5 DGBDMO C[C@H]1C[N@@H+](Cc2ccccc2)C[C@@H]1Oc1ccc([N+](=O)[O-])cc1 ZINC001227523066 1096943471 /nfs/dbraw/zinc/94/34/71/1096943471.db2.gz CSXZDAHRFSNERQ-KSSFIOAISA-N 1 1 312.369 3.494 20 5 DGBDMO c1cn2c([nH+]1)CC[C@H](Oc1cccc3nc4ccccc4nc31)C2 ZINC001228519465 1097134389 /nfs/dbraw/zinc/13/43/89/1097134389.db2.gz OUCUGVXMHBSLCE-ZDUSSCGKSA-N 1 1 316.364 3.373 20 5 DGBDMO CC(=O)c1cccc([N+](=O)[O-])c1O[C@@H]1CCC[N@H+](C(C)C)C1 ZINC001228969838 1097228953 /nfs/dbraw/zinc/22/89/53/1097228953.db2.gz BQIQGGODYNACIW-CYBMUJFWSA-N 1 1 306.362 3.049 20 5 DGBDMO CC[N@H+]1CCC[C@@H](Oc2nccc3ccc([N+](=O)[O-])cc32)C1 ZINC001229007506 1097235999 /nfs/dbraw/zinc/23/59/99/1097235999.db2.gz IXBVJZJZKDYWFJ-CQSZACIVSA-N 1 1 301.346 3.006 20 5 DGBDMO C[N@@H+](Cc1ccccn1)[C@H]1CCc2ccc([N+](=O)[O-])cc2CC1 ZINC001172904811 1097269178 /nfs/dbraw/zinc/26/91/78/1097269178.db2.gz AROMSQSKNVXCOD-KRWDZBQOSA-N 1 1 311.385 3.369 20 5 DGBDMO O=C1C[C@H]2CC[C@@H](C1)[N@@H+]2[C@H]1CCc2ccc([N+](=O)[O-])cc2CC1 ZINC001172903411 1097269194 /nfs/dbraw/zinc/26/91/94/1097269194.db2.gz HGLNKVUNRRWONW-HRCADAONSA-N 1 1 314.385 3.038 20 5 DGBDMO CCC(=O)c1cc([N+](=O)[O-])ccc1O[C@H]1CCC[N@H+](CC)C1 ZINC001229179239 1097271971 /nfs/dbraw/zinc/27/19/71/1097271971.db2.gz IQEZOENBSKOONT-ZDUSSCGKSA-N 1 1 306.362 3.051 20 5 DGBDMO O=[N+]([O-])c1ccc2c(c1)CC[C@@H]([N@H+]1CCc3ccncc3C1)CC2 ZINC001172915260 1097279129 /nfs/dbraw/zinc/27/91/29/1097279129.db2.gz MTEYXWMKTOCPRT-SFHVURJKSA-N 1 1 323.396 3.296 20 5 DGBDMO O=[N+]([O-])c1ccc2c(c1)CC[C@H]([N@@H+]1CCCCC13COC3)CC2 ZINC001172916997 1097279169 /nfs/dbraw/zinc/27/91/69/1097279169.db2.gz VEXNCQUXVSEGLD-MRXNPFEDSA-N 1 1 316.401 3.097 20 5 DGBDMO O=[N+]([O-])c1ccc2c(c1)CC[C@H]([N@H+]1CCCCC13COC3)CC2 ZINC001172916997 1097279174 /nfs/dbraw/zinc/27/91/74/1097279174.db2.gz VEXNCQUXVSEGLD-MRXNPFEDSA-N 1 1 316.401 3.097 20 5 DGBDMO O=[N+]([O-])c1ccc2c(c1)CC[C@H]([N@H+]1CCC[C@]3(CCO3)C1)CC2 ZINC001172915255 1097279202 /nfs/dbraw/zinc/27/92/02/1097279202.db2.gz MSCAGJOUPWQFKU-AEFFLSMTSA-N 1 1 316.401 3.097 20 5 DGBDMO O=[N+]([O-])c1ccc2c(c1)CC[C@@H]([N@H+]1CCC[C@@]13CCOC3)CC2 ZINC001172920090 1097281001 /nfs/dbraw/zinc/28/10/01/1097281001.db2.gz IHWPYKJWMMVPTJ-WMZOPIPTSA-N 1 1 316.401 3.097 20 5 DGBDMO O=[N+]([O-])c1cc(Cl)ccc1OC1CC[NH+](CCF)CC1 ZINC001229376004 1097308581 /nfs/dbraw/zinc/30/85/81/1097308581.db2.gz DHDDYTLCQLZQRY-UHFFFAOYSA-N 1 1 302.733 3.061 20 5 DGBDMO COc1ccc([N+](=O)[O-])c(C[C@@H](C)[N@@H+](C)CCC2CC2)c1F ZINC001173194873 1097358637 /nfs/dbraw/zinc/35/86/37/1097358637.db2.gz ARAFRHQGCWLMET-LLVKDONJSA-N 1 1 310.369 3.405 20 5 DGBDMO C[C@H](Cc1ccc([N+](=O)[O-])cc1)[N@H+]1CCC[C@]2(CCOC2)C1 ZINC001173220756 1097372242 /nfs/dbraw/zinc/37/22/42/1097372242.db2.gz CDDZAIVSXSZKMZ-PBHICJAKSA-N 1 1 304.390 3.028 20 5 DGBDMO C[C@H](Cc1ccc([N+](=O)[O-])cc1)[N@H+]1CCc2cc(O)ccc2C1 ZINC001173222491 1097372926 /nfs/dbraw/zinc/37/29/26/1097372926.db2.gz SEQNLKAYIPDJBU-CYBMUJFWSA-N 1 1 312.369 3.290 20 5 DGBDMO CCN(CC)CC[N@H+](CC)[C@H](C)Cc1ccc([N+](=O)[O-])cc1 ZINC001173227544 1097375992 /nfs/dbraw/zinc/37/59/92/1097375992.db2.gz QKSUBEGAFDYMBB-OAHLLOKOSA-N 1 1 307.438 3.190 20 5 DGBDMO CCN(CC)CC[N@@H+](CC)[C@H](C)Cc1ccc([N+](=O)[O-])cc1 ZINC001173227544 1097375996 /nfs/dbraw/zinc/37/59/96/1097375996.db2.gz QKSUBEGAFDYMBB-OAHLLOKOSA-N 1 1 307.438 3.190 20 5 DGBDMO C[C@@H](Cc1ccc([N+](=O)[O-])cc1)[N@H+]1CCc2ncsc2C1 ZINC001173233235 1097377266 /nfs/dbraw/zinc/37/72/66/1097377266.db2.gz JRZSAOJJLIHNBV-NSHDSACASA-N 1 1 303.387 3.041 20 5 DGBDMO C[C@@H](Cc1ccc([N+](=O)[O-])cc1)[N@H+]1CC[C@H]2OCCC[C@@H]2C1 ZINC001173238211 1097393877 /nfs/dbraw/zinc/39/38/77/1097393877.db2.gz OQRAQDGRXOXIIW-YSVLISHTSA-N 1 1 304.390 3.027 20 5 DGBDMO O=[N+]([O-])c1c(O[C@H]2CCc3[nH+]ccn3C2)ccc2ccccc21 ZINC001230626344 1097537675 /nfs/dbraw/zinc/53/76/75/1097537675.db2.gz GSDLYLJUGIPJGI-ZDUSSCGKSA-N 1 1 309.325 3.338 20 5 DGBDMO CC[N@H+]1CCC[C@H](Oc2ccc3nc4ccc(=O)cc-4oc3c2)C1 ZINC001231335646 1097724147 /nfs/dbraw/zinc/72/41/47/1097724147.db2.gz QIEOERQNPAZREQ-HNNXBMFYSA-N 1 1 324.380 3.156 20 5 DGBDMO CO[C@H]1CCC[N@@H+](Cc2ccc3ccc4cccnc4c3n2)C1 ZINC001232218761 1097969787 /nfs/dbraw/zinc/96/97/87/1097969787.db2.gz GRFPRNDVXWLIJE-KRWDZBQOSA-N 1 1 307.397 3.394 20 5 DGBDMO OC[C@H]1CCCC[N@H+]1Cc1ccc2ccc3cccnc3c2n1 ZINC001232219893 1097971140 /nfs/dbraw/zinc/97/11/40/1097971140.db2.gz VXLIJFSGCWBNAL-QGZVFWFLSA-N 1 1 307.397 3.130 20 5 DGBDMO C[C@@H]1CC[N@@H+](Cc2ccc3ccc4cccnc4c3n2)C[C@@]1(C)O ZINC001232219535 1097972224 /nfs/dbraw/zinc/97/22/24/1097972224.db2.gz VFKLDUKMYDCZSN-JLTOFOAXSA-N 1 1 321.424 3.376 20 5 DGBDMO c1cnc2c(c1)ccc1ccc(C[N@H+]3CC[C@H]4OCC[C@@H]4C3)nc12 ZINC001232225044 1097973035 /nfs/dbraw/zinc/97/30/35/1097973035.db2.gz MDZFWXPVXRREIG-SJLPKXTDSA-N 1 1 319.408 3.394 20 5 DGBDMO c1cnc2c(c1)ccc1ccc(C[N@@H+]3CCOC[C@@H]3C3CC3)nc12 ZINC001232222396 1097973646 /nfs/dbraw/zinc/97/36/46/1097973646.db2.gz CAUOKUSMSDDQHI-GOSISDBHSA-N 1 1 319.408 3.394 20 5 DGBDMO c1cnc2c(c1)ccc1ccc(C[N@H+]3CCOC[C@@H]3C3CC3)nc12 ZINC001232222396 1097973651 /nfs/dbraw/zinc/97/36/51/1097973651.db2.gz CAUOKUSMSDDQHI-GOSISDBHSA-N 1 1 319.408 3.394 20 5 DGBDMO CC(C)(C)[NH+]1CC(Oc2c3cccnc3ccc2[N+](=O)[O-])C1 ZINC001233779021 1098430028 /nfs/dbraw/zinc/43/00/28/1098430028.db2.gz OOOZNQFQDJFADB-UHFFFAOYSA-N 1 1 301.346 3.005 20 5 DGBDMO C[N@H+]1CCC[C@H](Oc2c3cccnc3ccc2[N+](=O)[O-])CC1 ZINC001233778278 1098430034 /nfs/dbraw/zinc/43/00/34/1098430034.db2.gz HNLUIIHAKKQMAA-LBPRGKRZSA-N 1 1 301.346 3.006 20 5 DGBDMO C[C@@]12CSC[C@@H]1C[N@H+](Cc1c(F)cc([N+](=O)[O-])cc1F)C2 ZINC001176804469 1098437344 /nfs/dbraw/zinc/43/73/44/1098437344.db2.gz PQDUGHDYQRQCNV-LKFCYVNXSA-N 1 1 314.357 3.058 20 5 DGBDMO C[C@@]12CSC[C@@H]1C[N@@H+](Cc1c(F)cc([N+](=O)[O-])cc1F)C2 ZINC001176804469 1098437346 /nfs/dbraw/zinc/43/73/46/1098437346.db2.gz PQDUGHDYQRQCNV-LKFCYVNXSA-N 1 1 314.357 3.058 20 5 DGBDMO CCCCCC(=O)NCCC[N@@H+](C)Cc1ccccc1[N+](=O)[O-] ZINC001233978469 1098470854 /nfs/dbraw/zinc/47/08/54/1098470854.db2.gz RQBHFVWVSZRXDE-UHFFFAOYSA-N 1 1 321.421 3.113 20 5 DGBDMO C[N@@H+]1[C@@H]2CC[C@H]1C[C@H](Oc1nccc3c1cccc3[N+](=O)[O-])C2 ZINC001234674755 1098641137 /nfs/dbraw/zinc/64/11/37/1098641137.db2.gz RQMRKYRXQIWILS-CLLJXQQHSA-N 1 1 313.357 3.147 20 5 DGBDMO Cc1cc(O[C@H]2CCc3[nH+]ccn3C2)c(C)c(C)c1[N+](=O)[O-] ZINC001234871700 1098693090 /nfs/dbraw/zinc/69/30/90/1098693090.db2.gz LWASRPXESTXDLW-ZDUSSCGKSA-N 1 1 301.346 3.110 20 5 DGBDMO O=[N+]([O-])c1ccc(Cl)c(C[NH2+]Cc2cnc3ccccn23)c1 ZINC001178170099 1098751202 /nfs/dbraw/zinc/75/12/02/1098751202.db2.gz ILQVOXWZROVOBL-UHFFFAOYSA-N 1 1 316.748 3.186 20 5 DGBDMO C[C@@H]1[C@H](Nc2cccc(C(F)(F)F)c2[N+](=O)[O-])CC[N@H+]1C ZINC001187663263 1099567956 /nfs/dbraw/zinc/56/79/56/1099567956.db2.gz UCCIQTFHQPHTNB-PSASIEDQSA-N 1 1 303.284 3.118 20 5 DGBDMO CC(C)C[C@@H]1C[N@@H+](C)CCN1c1ccc(Cl)cc1[N+](=O)[O-] ZINC001187708964 1099581612 /nfs/dbraw/zinc/58/16/12/1099581612.db2.gz OLNVHSDVNGLVRH-CYBMUJFWSA-N 1 1 311.813 3.415 20 5 DGBDMO CCOc1cc(N2CC[N@@H+](C)C[C@@H]2CC(C)C)ccc1[N+](=O)[O-] ZINC001187708944 1099581944 /nfs/dbraw/zinc/58/19/44/1099581944.db2.gz NTFBXLUGCFMEKY-HNNXBMFYSA-N 1 1 321.421 3.160 20 5 DGBDMO Cc1ccccc1[C@@H](CO)[NH2+]Cc1ccc([N+](=O)[O-])cc1Cl ZINC001193336636 1100728439 /nfs/dbraw/zinc/72/84/39/1100728439.db2.gz XHHCEBUQHMXGHC-MRXNPFEDSA-N 1 1 320.776 3.380 20 5 DGBDMO Cc1ccccc1[C@H](CO)[NH2+]Cc1ccc([N+](=O)[O-])cc1Cl ZINC001193336635 1100728835 /nfs/dbraw/zinc/72/88/35/1100728835.db2.gz XHHCEBUQHMXGHC-INIZCTEOSA-N 1 1 320.776 3.380 20 5 DGBDMO C[C@H]([NH2+]Cc1cccnc1[N+](=O)[O-])c1ccc2ncsc2c1 ZINC001193591923 1100769284 /nfs/dbraw/zinc/76/92/84/1100769284.db2.gz CFPUPVGDKCINLR-JTQLQIEISA-N 1 1 314.370 3.450 20 5 DGBDMO Cc1cccc([C@H](O)C[N@@H+](C)CCc2cccc([N+](=O)[O-])c2)c1 ZINC001193743251 1100796479 /nfs/dbraw/zinc/79/64/79/1100796479.db2.gz LGOPSAMGDYLIEI-GOSISDBHSA-N 1 1 314.385 3.111 20 5 DGBDMO CC(C)[N@H+]1CCCC[C@H]1CN(C)CCc1ccccc1[N+](=O)[O-] ZINC001194263352 1100906348 /nfs/dbraw/zinc/90/63/48/1100906348.db2.gz YBOLPFVHDXVUAK-KRWDZBQOSA-N 1 1 319.449 3.332 20 5 DGBDMO C[C@H]1CN(Cc2ccccc2[N+](=O)[O-])CC[N@H+]1C1CCCC1 ZINC001197799723 1101668488 /nfs/dbraw/zinc/66/84/88/1101668488.db2.gz ZUKALXDHJVTOAN-AWEZNQCLSA-N 1 1 303.406 3.044 20 5 DGBDMO CCOc1cccc(NC[C@H]2CCC[N@@H+](CC)C2)c1[N+](=O)[O-] ZINC001327616553 1103693721 /nfs/dbraw/zinc/69/37/21/1103693721.db2.gz NFQTXIKLJCCMTR-CYBMUJFWSA-N 1 1 307.394 3.137 20 5 DGBDMO CC[N@H+]1CCC[C@@H](CNc2cc(OC)c(C)cc2[N+](=O)[O-])C1 ZINC001328492249 1103966926 /nfs/dbraw/zinc/96/69/26/1103966926.db2.gz QPNXLGCYPKIVBK-ZDUSSCGKSA-N 1 1 307.394 3.056 20 5 DGBDMO [NH3+][C@@H](c1nc(-c2ccc3ccc4cccnc4c3n2)no1)C1CC1 ZINC001247827610 1104997776 /nfs/dbraw/zinc/99/77/76/1104997776.db2.gz GQTVBWGMAPTRFU-CQSZACIVSA-N 1 1 317.352 3.243 20 5 DGBDMO CC[N@H+]1CCC[C@H](CN[C@H](C)c2ccc(C)c([N+](=O)[O-])c2)C1 ZINC001253094558 1105887537 /nfs/dbraw/zinc/88/75/37/1105887537.db2.gz FDPNQEAVDRPVKP-HUUCEWRRSA-N 1 1 305.422 3.286 20 5 DGBDMO O=[N+]([O-])c1ccc(N2CCC([N@H+]3CCCC[C@@H](F)C3)CC2)cc1 ZINC001254473568 1106078315 /nfs/dbraw/zinc/07/83/15/1106078315.db2.gz FRIRSJHGWQZEQN-CQSZACIVSA-N 1 1 321.396 3.388 20 5 DGBDMO CC[C@H]1CCC[N@H+]1C1CCN(c2ccc([N+](=O)[O-])cc2)CC1 ZINC001254478406 1106078694 /nfs/dbraw/zinc/07/86/94/1106078694.db2.gz BEZPHGFEJXOPQR-AWEZNQCLSA-N 1 1 303.406 3.438 20 5 DGBDMO CC[C@@H]1CCC[N@H+]1C1CCN(c2ccc([N+](=O)[O-])cc2)CC1 ZINC001254478407 1106079189 /nfs/dbraw/zinc/07/91/89/1106079189.db2.gz BEZPHGFEJXOPQR-CQSZACIVSA-N 1 1 303.406 3.438 20 5 DGBDMO C[C@@H](Cc1ccccc1[N+](=O)[O-])[N@H+]1CC[C@H]2CCCO[C@@H]2C1 ZINC001254551699 1106101133 /nfs/dbraw/zinc/10/11/33/1106101133.db2.gz DHWJCFBNGLEQCI-JJRVBVJISA-N 1 1 304.390 3.027 20 5 DGBDMO C[C@@H](Cc1ccccc1[N+](=O)[O-])[N@@H+](CCO)Cc1ccccc1 ZINC001254550078 1106101298 /nfs/dbraw/zinc/10/12/98/1106101298.db2.gz CJQRPYBGELGCDY-HNNXBMFYSA-N 1 1 314.385 3.020 20 5 DGBDMO C[C@H](Cc1ccccc1[N+](=O)[O-])[N@H+]1CC[C@@H](c2ccncc2)C1 ZINC001254563070 1106103860 /nfs/dbraw/zinc/10/38/60/1106103860.db2.gz SPVQMIWGNYJMRU-RHSMWYFYSA-N 1 1 311.385 3.410 20 5 DGBDMO C[C@H](Cc1ccccc1[N+](=O)[O-])[N@H+]1CCc2ncsc2C1 ZINC001254560045 1106104154 /nfs/dbraw/zinc/10/41/54/1106104154.db2.gz OTGAQZXTHDDIDQ-LLVKDONJSA-N 1 1 303.387 3.041 20 5 DGBDMO C[C@@H](Cc1ccccc1[N+](=O)[O-])[N@H+]1CC[C@H](c2ccncc2)C1 ZINC001254563072 1106104312 /nfs/dbraw/zinc/10/43/12/1106104312.db2.gz SPVQMIWGNYJMRU-YOEHRIQHSA-N 1 1 311.385 3.410 20 5 DGBDMO C[C@@H](Cc1ccccc1[N+](=O)[O-])[N@H+]1CC[C@@H](COCC2CC2)C1 ZINC001254564244 1106105173 /nfs/dbraw/zinc/10/51/73/1106105173.db2.gz JXFMMHQLNSGKSS-GOEBONIOSA-N 1 1 318.417 3.274 20 5 DGBDMO O=[N+]([O-])c1ccc2c(c1)C[C@@H]([N@H+]1CCC[C@@H]1c1ccccn1)C2 ZINC001254599006 1106110611 /nfs/dbraw/zinc/11/06/11/1106110611.db2.gz JEZMVANPPSKJPB-FUHWJXTLSA-N 1 1 309.369 3.294 20 5 DGBDMO C[N@@H+](Cc1cnc(Cl)s1)[C@H]1Cc2ccc([N+](=O)[O-])cc2C1 ZINC001254601032 1106111675 /nfs/dbraw/zinc/11/16/75/1106111675.db2.gz XKGQXMMDTHYDMT-LBPRGKRZSA-N 1 1 323.805 3.304 20 5 DGBDMO C[N@@H+](CC/C=C/c1cccnc1)[C@H]1Cc2ccc([N+](=O)[O-])cc2C1 ZINC001254605924 1106112616 /nfs/dbraw/zinc/11/26/16/1106112616.db2.gz CQYYVWMGVRLULC-XUYKHGSPSA-N 1 1 323.396 3.492 20 5 DGBDMO CCCC1CC[NH+](Cc2nc3cc([N+](=O)[O-])ccc3[nH]2)CC1 ZINC001320814975 1107147862 /nfs/dbraw/zinc/14/78/62/1107147862.db2.gz YNWABEUQUBBTSV-UHFFFAOYSA-N 1 1 302.378 3.483 20 5 DGBDMO COc1cc([N+](=O)[O-])ccc1C[N@@H+](C)[C@H]1CC[C@@H](SC)C1 ZINC001321144276 1107264177 /nfs/dbraw/zinc/26/41/77/1107264177.db2.gz VDENMCHRMYWOGD-GXTWGEPZSA-N 1 1 310.419 3.319 20 5 DGBDMO CC(C)c1ocnc1C[N@H+](C)CCc1cccc([N+](=O)[O-])c1 ZINC001321426605 1107346308 /nfs/dbraw/zinc/34/63/08/1107346308.db2.gz KYKICOWZJDVHKW-UHFFFAOYSA-N 1 1 303.362 3.381 20 5 DGBDMO CC(C)c1ocnc1C[N@@H+](C)CCc1cccc([N+](=O)[O-])c1 ZINC001321426605 1107346324 /nfs/dbraw/zinc/34/63/24/1107346324.db2.gz KYKICOWZJDVHKW-UHFFFAOYSA-N 1 1 303.362 3.381 20 5 DGBDMO COc1ccc(C[N@@H+](C)[C@H]2CC[C@@H](SC)C2)cc1[N+](=O)[O-] ZINC001322159161 1107547359 /nfs/dbraw/zinc/54/73/59/1107547359.db2.gz PSPICECDFCBDLB-QWHCGFSZSA-N 1 1 310.419 3.319 20 5 DGBDMO O=[N+]([O-])c1cnc(N[C@H]2CC[N@H+]3CCC[C@H]3C2)c2ccccc21 ZINC001262058089 1107598967 /nfs/dbraw/zinc/59/89/67/1107598967.db2.gz NHMLXXBAKGNYTA-STQMWFEESA-N 1 1 312.373 3.182 20 5 DGBDMO CC[N@H+](Cc1ccccc1F)C[C@@H](O)c1cccc([N+](=O)[O-])c1 ZINC001322885079 1107774919 /nfs/dbraw/zinc/77/49/19/1107774919.db2.gz GARVIHLYHXTVIZ-QGZVFWFLSA-N 1 1 318.348 3.289 20 5 DGBDMO C[N@H+]1CC[C@H](CNc2c(Cl)c(Cl)ccc2[N+](=O)[O-])C1 ZINC001306958909 1111254621 /nfs/dbraw/zinc/25/46/21/1111254621.db2.gz HJOVDRRGFAUQJN-MRVPVSSYSA-N 1 1 304.177 3.265 20 5 DGBDMO CN(C)c1cc[nH+]c(CNc2ccc3ncccc3c2[N+](=O)[O-])c1 ZINC001307210195 1111278751 /nfs/dbraw/zinc/27/87/51/1111278751.db2.gz CRJDNMKVAKPJCU-UHFFFAOYSA-N 1 1 323.356 3.216 20 5 DGBDMO CC[C@]1(C)CCC[N@H+]([C@H](C)C(=O)Nc2ccc([N+](=O)[O-])cc2)C1 ZINC001307493084 1111305154 /nfs/dbraw/zinc/30/51/54/1111305154.db2.gz HBJNDKAQKJUVSU-CXAGYDPISA-N 1 1 319.405 3.434 20 5 DGBDMO O=[N+]([O-])c1ccn(CC[N@H+]2CCC[C@@H](C3CCCCC3)C2)n1 ZINC001307957156 1111360184 /nfs/dbraw/zinc/36/01/84/1111360184.db2.gz CEFXZVTZGXXILQ-OAHLLOKOSA-N 1 1 306.410 3.084 20 5 DGBDMO CCC[N@@H+](CC)C[C@@H](C)NCc1c(C)ccc([N+](=O)[O-])c1C ZINC001308421468 1111427134 /nfs/dbraw/zinc/42/71/34/1111427134.db2.gz TVAWBPKCYGJADT-CQSZACIVSA-N 1 1 307.438 3.422 20 5 DGBDMO CCCN(CC)C[C@@H](C)[NH2+]Cc1c(C)ccc([N+](=O)[O-])c1C ZINC001308421468 1111427136 /nfs/dbraw/zinc/42/71/36/1111427136.db2.gz TVAWBPKCYGJADT-CQSZACIVSA-N 1 1 307.438 3.422 20 5 DGBDMO COCCSCCC[N@@H+](Cc1cccc([N+](=O)[O-])c1)C1CC1 ZINC000278499361 214193581 /nfs/dbraw/zinc/19/35/81/214193581.db2.gz KXUUFXPHSXYHBE-UHFFFAOYSA-N 1 1 324.446 3.329 20 5 DGBDMO C[C@H](C[N@H+](C)Cc1ccccc1)NCc1ccc([N+](=O)[O-])cc1 ZINC000309874104 231107467 /nfs/dbraw/zinc/10/74/67/231107467.db2.gz HMCXXYCFKHRDPG-OAHLLOKOSA-N 1 1 313.401 3.205 20 5 DGBDMO C[C@H](C[N@@H+](C)Cc1ccccc1)NCc1ccc([N+](=O)[O-])cc1 ZINC000309874104 231107470 /nfs/dbraw/zinc/10/74/70/231107470.db2.gz HMCXXYCFKHRDPG-OAHLLOKOSA-N 1 1 313.401 3.205 20 5 DGBDMO CC[C@H]([NH2+]Cc1ccc([N+](=O)[O-])cc1OC)c1c(C)noc1C ZINC000430218518 529629496 /nfs/dbraw/zinc/62/94/96/529629496.db2.gz MDWLKJBERJQKEU-AWEZNQCLSA-N 1 1 319.361 3.449 20 5 DGBDMO CC[C@H](C)[N@@H+](C)CCNc1ccc([N+](=O)[O-])c2ncccc12 ZINC000318697367 529690195 /nfs/dbraw/zinc/69/01/95/529690195.db2.gz CRZUJKXUJCWITL-LBPRGKRZSA-N 1 1 302.378 3.285 20 5 DGBDMO COc1cc(C[N@H+]2CCC[C@@H](C)CC2)c([N+](=O)[O-])cc1OC ZINC000092586226 185327197 /nfs/dbraw/zinc/32/71/97/185327197.db2.gz MIFMVOZPGJPPLC-GFCCVEGCSA-N 1 1 308.378 3.234 20 5 DGBDMO Cc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@H+](C)CC1CCCC1 ZINC000064020641 432007533 /nfs/dbraw/zinc/00/75/33/432007533.db2.gz HYZMKSLCABLFIW-UHFFFAOYSA-N 1 1 319.405 3.354 20 5 DGBDMO CO[C@H]1[C@H]2[C@H]3C[C@@H]1C[C@H]3C[N@H+]2Cc1ccc([N+](=O)[O-])cc1Cl ZINC000286656513 219107748 /nfs/dbraw/zinc/10/77/48/219107748.db2.gz UKXDEVBSDSPWTM-XNHOIOAFSA-N 1 1 322.792 3.103 20 5 DGBDMO C[N@@H+](CCCCNc1nccc2cc([N+](=O)[O-])ccc21)C1CC1 ZINC000413349268 529884154 /nfs/dbraw/zinc/88/41/54/529884154.db2.gz RHRHMAUTYSAHSP-UHFFFAOYSA-N 1 1 314.389 3.429 20 5 DGBDMO C[N@@H+](CCCNc1ncc([N+](=O)[O-])cc1F)Cc1ccccc1 ZINC000413045572 529892193 /nfs/dbraw/zinc/89/21/93/529892193.db2.gz YPWYETYIPSCMNW-UHFFFAOYSA-N 1 1 318.352 3.063 20 5 DGBDMO Cc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@@H+]1C[C@@H](C)CC1(C)C ZINC000331019573 232352693 /nfs/dbraw/zinc/35/26/93/232352693.db2.gz WQFCVJPUMVNQNO-LBPRGKRZSA-N 1 1 319.405 3.352 20 5 DGBDMO CC(C)(C)OC(=O)CC[N@@H+](Cc1ccc([N+](=O)[O-])cc1)C1CC1 ZINC000130205979 432017738 /nfs/dbraw/zinc/01/77/38/432017738.db2.gz LPNICMVMFBUYLM-UHFFFAOYSA-N 1 1 320.389 3.291 20 5 DGBDMO CC[C@@H](C)[C@H](C)[N@@H+](Cc1ccc(C(N)=O)cc1[N+](=O)[O-])C1CC1 ZINC000106439762 432021415 /nfs/dbraw/zinc/02/14/15/432021415.db2.gz GFLQSXGAGNKCAW-NEPJUHHUSA-N 1 1 319.405 3.093 20 5 DGBDMO O=[N+]([O-])c1ccc(Cl)c(C[N@@H+](C[C@@H]2CCOC2)C2CC2)c1 ZINC000172175675 198053163 /nfs/dbraw/zinc/05/31/63/198053163.db2.gz BKSPPIDISMSVKV-NSHDSACASA-N 1 1 310.781 3.249 20 5 DGBDMO C[C@@H]1CCC[N@@H+](Cc2nc(-c3ccc([N+](=O)[O-])cc3)no2)[C@@H]1C ZINC000172865255 198160322 /nfs/dbraw/zinc/16/03/22/198160322.db2.gz JGLAHVJWYZKMHZ-VXGBXAGGSA-N 1 1 316.361 3.265 20 5 DGBDMO Cc1ccc([N+](=O)[O-])cc1NC(=O)C[N@H+]1CCC[C@@H]2CCC[C@@H]21 ZINC000072693727 191215588 /nfs/dbraw/zinc/21/55/88/191215588.db2.gz ZFKKPMXIHJJQLI-BBRMVZONSA-N 1 1 317.389 3.106 20 5 DGBDMO CCC[C@@H]1[C@@H](C)CCC[N@H+]1Cc1ccc(C(N)=O)cc1[N+](=O)[O-] ZINC000072775180 191227481 /nfs/dbraw/zinc/22/74/81/191227481.db2.gz AFPAXHRSSCEARP-SWLSCSKDSA-N 1 1 319.405 3.094 20 5 DGBDMO CCOC[C@@H]1CCC[N@@H+](Cc2ccc([N+](=O)[O-])cc2Cl)C1 ZINC000182173220 199398898 /nfs/dbraw/zinc/39/88/98/199398898.db2.gz CSSNGIVAEWXHPO-GFCCVEGCSA-N 1 1 312.797 3.497 20 5 DGBDMO CCOc1cc(C[N@@H+](C)CCC2CCOCC2)ccc1[N+](=O)[O-] ZINC000276982798 213217861 /nfs/dbraw/zinc/21/78/61/213217861.db2.gz YRBPBELWNQWJOW-UHFFFAOYSA-N 1 1 322.405 3.242 20 5 DGBDMO CCC[C@H](NC[C@@H](C1CC1)[NH+](C)C)c1cccc([N+](=O)[O-])c1 ZINC000166270908 432059978 /nfs/dbraw/zinc/05/99/78/432059978.db2.gz LGDHWFDOKRFMSL-IRXDYDNUSA-N 1 1 305.422 3.366 20 5 DGBDMO CCOc1cc(C[N@@H+](C)CCCOC(C)C)ccc1[N+](=O)[O-] ZINC000276905924 213167484 /nfs/dbraw/zinc/16/74/84/213167484.db2.gz MLLHUWNKUNYBFL-UHFFFAOYSA-N 1 1 310.394 3.240 20 5 DGBDMO C[C@H]1C[C@@H](Nc2ccc([N+](=O)[O-])c3cnccc23)C[N@H+]1C1CC1 ZINC000133545582 432066317 /nfs/dbraw/zinc/06/63/17/432066317.db2.gz MENWXTKMANHHJC-NWDGAFQWSA-N 1 1 312.373 3.180 20 5 DGBDMO COc1ccc([N+](=O)[O-])cc1C[N@H+]1CCCC[C@H](SC)C1 ZINC000134543364 432078885 /nfs/dbraw/zinc/07/88/85/432078885.db2.gz OQNZLWWWJPOVBU-AWEZNQCLSA-N 1 1 310.419 3.321 20 5 DGBDMO O=[N+]([O-])c1ccc(-c2nnc(C[N@@H+]3CCCC4(CC4)C3)o2)cc1 ZINC000186960098 200039214 /nfs/dbraw/zinc/03/92/14/200039214.db2.gz OUKHPLHWFIMYNB-UHFFFAOYSA-N 1 1 314.345 3.021 20 5 DGBDMO O=[N+]([O-])c1ccc(-c2nnc(C[N@H+]3CCCC4(CC4)C3)o2)cc1 ZINC000186960098 200039216 /nfs/dbraw/zinc/03/92/16/200039216.db2.gz OUKHPLHWFIMYNB-UHFFFAOYSA-N 1 1 314.345 3.021 20 5 DGBDMO C[C@@H]1CCCC[N@@H+](Cc2nc(-c3ccc([N+](=O)[O-])cc3)no2)C1 ZINC000187971718 200184458 /nfs/dbraw/zinc/18/44/58/200184458.db2.gz OPXCLDMIKAZSLY-GFCCVEGCSA-N 1 1 316.361 3.267 20 5 DGBDMO COc1cc([N+](=O)[O-])ccc1C[N@@H+](C)CC1(O)CCCCCC1 ZINC000430221417 238071484 /nfs/dbraw/zinc/07/14/84/238071484.db2.gz RNWLASYDYOPXAQ-UHFFFAOYSA-N 1 1 322.405 3.121 20 5 DGBDMO C[C@H]1CC[C@@H]([N@@H+](C)Cc2nnc(-c3ccc([N+](=O)[O-])cc3)o2)C1 ZINC000429573767 238055613 /nfs/dbraw/zinc/05/56/13/238055613.db2.gz BWDHZGKQMUOCLQ-SMDDNHRTSA-N 1 1 316.361 3.265 20 5 DGBDMO Cc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@H+](C)[C@@H]1CC[C@@H](C)C1 ZINC000429584357 238056231 /nfs/dbraw/zinc/05/62/31/238056231.db2.gz DTDNTGCHQOHHOC-TZMCWYRMSA-N 1 1 319.405 3.352 20 5 DGBDMO COc1cc([N+](=O)[O-])ccc1C[N@@H+]1CC[C@H](C(F)(F)F)[C@H]1C ZINC000430231639 238071748 /nfs/dbraw/zinc/07/17/48/238071748.db2.gz CQOGFDUXNYSODY-SKDRFNHKSA-N 1 1 318.295 3.376 20 5 DGBDMO COc1cc([N+](=O)[O-])ccc1C[N@H+]1CC[C@H](C(F)(F)F)[C@H]1C ZINC000430231639 238071749 /nfs/dbraw/zinc/07/17/49/238071749.db2.gz CQOGFDUXNYSODY-SKDRFNHKSA-N 1 1 318.295 3.376 20 5 DGBDMO COCC[N@@H+](Cc1ccc([N+](=O)[O-])cc1OC)[C@@H]1CC[C@H](C)C1 ZINC000430244332 238072538 /nfs/dbraw/zinc/07/25/38/238072538.db2.gz PBKKYTHMEFOIKK-DZGCQCFKSA-N 1 1 322.405 3.240 20 5 DGBDMO C[C@H]1CCC[N@@H+](CCCCNc2cc(N)ccc2[N+](=O)[O-])C1 ZINC000193386762 201043332 /nfs/dbraw/zinc/04/33/32/201043332.db2.gz RKMNOLVMXOADAR-ZDUSSCGKSA-N 1 1 306.410 3.101 20 5 DGBDMO COc1ccc(OCC[N@H+]2CCC[C@H](C)[C@H]2C)c([N+](=O)[O-])c1 ZINC000441444560 239051160 /nfs/dbraw/zinc/05/11/60/239051160.db2.gz DOVUQHVNYUTIKD-QWHCGFSZSA-N 1 1 308.378 3.103 20 5 DGBDMO O=[N+]([O-])c1ccc(C[NH2+]Cc2cnc(C(F)(F)F)s2)cc1 ZINC000443961954 239242920 /nfs/dbraw/zinc/24/29/20/239242920.db2.gz IKCMBWTZEDHXMA-UHFFFAOYSA-N 1 1 317.292 3.360 20 5 DGBDMO CC(C)C[C@@H](CN1CCCC1)[NH2+]Cc1csc([N+](=O)[O-])c1 ZINC000449383565 240169127 /nfs/dbraw/zinc/16/91/27/240169127.db2.gz IICJIZCALNPXFE-AWEZNQCLSA-N 1 1 311.451 3.256 20 5 DGBDMO COC[C@@]1(C)CC[N@@H+](C/C(C)=C/c2cccc([N+](=O)[O-])c2)C1 ZINC000449393266 240172104 /nfs/dbraw/zinc/17/21/04/240172104.db2.gz LYBGGWHJIGWYBJ-ZGUWOUCSSA-N 1 1 304.390 3.357 20 5 DGBDMO CC[N@H+](Cc1ccc(-c2cccc([N+](=O)[O-])c2)o1)C1COC1 ZINC000449427259 240197466 /nfs/dbraw/zinc/19/74/66/240197466.db2.gz REIJBKOBRAKBFN-UHFFFAOYSA-N 1 1 302.330 3.076 20 5 DGBDMO CC[N@@H+](Cc1ccc(-c2cccc([N+](=O)[O-])c2)o1)C1COC1 ZINC000449427259 240197473 /nfs/dbraw/zinc/19/74/73/240197473.db2.gz REIJBKOBRAKBFN-UHFFFAOYSA-N 1 1 302.330 3.076 20 5 DGBDMO COCC(C)(C)C[N@H+]1CCC[C@H](c2ccc([N+](=O)[O-])cc2)C1 ZINC000449502376 240250394 /nfs/dbraw/zinc/25/03/94/240250394.db2.gz RNRIGIMDLKXEHB-HNNXBMFYSA-N 1 1 306.406 3.447 20 5 DGBDMO O=[N+]([O-])c1ccc([C@@H]2CCC[N@@H+](CC3=CCCOC3)C2)cc1 ZINC000449501514 240251742 /nfs/dbraw/zinc/25/17/42/240251742.db2.gz PQTTWDKFCOUYNO-MRXNPFEDSA-N 1 1 302.374 3.121 20 5 DGBDMO Cc1n[nH]c(C)c1C[N@H+]1CCC[C@H](c2ccc([N+](=O)[O-])cc2)C1 ZINC000449506972 240255145 /nfs/dbraw/zinc/25/51/45/240255145.db2.gz ZVLXYHFDFHZVQF-HNNXBMFYSA-N 1 1 314.389 3.314 20 5 DGBDMO Cc1n[nH]cc1C[N@H+]1CCC[C@@H](c2ccc([N+](=O)[O-])cc2)C1 ZINC000449506961 240255349 /nfs/dbraw/zinc/25/53/49/240255349.db2.gz ZUQRNMYVZIARJY-CQSZACIVSA-N 1 1 300.362 3.006 20 5 DGBDMO COc1cc(C[N@@H+](CC(C)C)C2CC2)c([N+](=O)[O-])cc1OC ZINC000092009014 193141619 /nfs/dbraw/zinc/14/16/19/193141619.db2.gz YHSDTQHHZXQJEY-UHFFFAOYSA-N 1 1 308.378 3.232 20 5 DGBDMO O=[N+]([O-])c1ccccc1/C=C/C[N@@H+]1CCO[C@@H]2CCCC[C@@H]21 ZINC000091978770 193134883 /nfs/dbraw/zinc/13/48/83/193134883.db2.gz RAIVQXGSFKFTDO-FKQXODTLSA-N 1 1 302.374 3.251 20 5 DGBDMO O=[N+]([O-])c1ccccc1/C=C/C[N@H+]1CCO[C@@H]2CCCC[C@@H]21 ZINC000091978770 193134884 /nfs/dbraw/zinc/13/48/84/193134884.db2.gz RAIVQXGSFKFTDO-FKQXODTLSA-N 1 1 302.374 3.251 20 5 DGBDMO CCOc1cc(C[N@@H+]2CC[C@H](OCC)[C@H](C)C2)ccc1[N+](=O)[O-] ZINC000451548635 241168236 /nfs/dbraw/zinc/16/82/36/241168236.db2.gz VFTKKXPMJLOOCL-CJNGLKHVSA-N 1 1 322.405 3.240 20 5 DGBDMO O=[N+]([O-])c1ccc([C@H]2CCC[N@@H+](CCCn3ccnc3)C2)cc1 ZINC000451545536 241168859 /nfs/dbraw/zinc/16/88/59/241168859.db2.gz HPXKXLADJFFLNP-INIZCTEOSA-N 1 1 314.389 3.061 20 5 DGBDMO C[C@H](c1cccc([N+](=O)[O-])c1)[N@H+]1CC[C@@H]2C[C@@H](O)CC[C@@H]2C1 ZINC000451701974 241210983 /nfs/dbraw/zinc/21/09/83/241210983.db2.gz HZCUGLCIKKHQLT-MMTVNHQJSA-N 1 1 304.390 3.139 20 5 DGBDMO O=[N+]([O-])c1cc(Cl)ccc1C[N@H+]1CC[C@@H]2C[C@H](O)CC[C@H]2C1 ZINC000451706214 241214047 /nfs/dbraw/zinc/21/40/47/241214047.db2.gz LTWYLHWPNWBKCR-TYNCELHUSA-N 1 1 324.808 3.231 20 5 DGBDMO Cc1c(NC(=O)CC[N@H+]2[C@@H](C)CCC2(C)C)cccc1[N+](=O)[O-] ZINC000452008412 241296369 /nfs/dbraw/zinc/29/63/69/241296369.db2.gz OYDZOJBDZWKEKM-LBPRGKRZSA-N 1 1 319.405 3.495 20 5 DGBDMO CC[C@H](CNC/C(C)=C\c1cccc([N+](=O)[O-])c1)[NH+]1CCCC1 ZINC000468626693 244057151 /nfs/dbraw/zinc/05/71/51/244057151.db2.gz HYKPPCANZLLOGX-JBXOJTMHSA-N 1 1 317.433 3.462 20 5 DGBDMO C[N@@H+](CCc1ccc([N+](=O)[O-])cc1)Cc1nc2ccccc2o1 ZINC000469737939 244121242 /nfs/dbraw/zinc/12/12/42/244121242.db2.gz RBNYHXQAIFOILI-UHFFFAOYSA-N 1 1 311.341 3.411 20 5 DGBDMO C/C(=C\c1cccc([N+](=O)[O-])c1)C[N@@H+]1CCO[C@@H]2CCC[C@@H]21 ZINC000470179272 244157518 /nfs/dbraw/zinc/15/75/18/244157518.db2.gz VPBFVVVSTWEJFO-GABYWQGASA-N 1 1 302.374 3.251 20 5 DGBDMO C/C(=C\c1cccc([N+](=O)[O-])c1)C[N@H+]1CCO[C@@H]2CCC[C@@H]21 ZINC000470179272 244157525 /nfs/dbraw/zinc/15/75/25/244157525.db2.gz VPBFVVVSTWEJFO-GABYWQGASA-N 1 1 302.374 3.251 20 5 DGBDMO C[N@@H+](Cc1c(Cl)cccc1[N+](=O)[O-])C[C@@H]1CCCC[C@@H]1O ZINC000119818155 284152789 /nfs/dbraw/zinc/15/27/89/284152789.db2.gz NWOYZARXODGZHT-NHYWBVRUSA-N 1 1 312.797 3.231 20 5 DGBDMO C[N@H+](Cc1c(Cl)cccc1[N+](=O)[O-])C[C@@H]1CCCC[C@@H]1O ZINC000119818155 284152792 /nfs/dbraw/zinc/15/27/92/284152792.db2.gz NWOYZARXODGZHT-NHYWBVRUSA-N 1 1 312.797 3.231 20 5 DGBDMO O=[N+]([O-])c1ccccc1/C=C\C[N@H+](CCO)CC1CCCCC1 ZINC000485722164 244936599 /nfs/dbraw/zinc/93/65/99/244936599.db2.gz CWZVCFTWQXKBLY-POHAHGRESA-N 1 1 318.417 3.483 20 5 DGBDMO Cc1c(NC(=O)CC[N@H+](C)[C@@H](C)C(C)C)cccc1[N+](=O)[O-] ZINC000263931185 203642353 /nfs/dbraw/zinc/64/23/53/203642353.db2.gz AGVXIRMLDDWDSA-ZDUSSCGKSA-N 1 1 307.394 3.208 20 5 DGBDMO CCC1CCC([N@@H+](CCO)Cc2ccc([N+](=O)[O-])cc2)CC1 ZINC000488203465 245161658 /nfs/dbraw/zinc/16/16/58/245161658.db2.gz PPCLGFAEFPPFOH-UHFFFAOYSA-N 1 1 306.406 3.358 20 5 DGBDMO C[N@H+](CCc1ccccc1[N+](=O)[O-])Cc1cnc(Cl)s1 ZINC000285361290 218397268 /nfs/dbraw/zinc/39/72/68/218397268.db2.gz QHCDRSXAFLVSOK-UHFFFAOYSA-N 1 1 311.794 3.379 20 5 DGBDMO C[N@@H+](CCc1ccccc1[N+](=O)[O-])Cc1cnc(Cl)s1 ZINC000285361290 218397270 /nfs/dbraw/zinc/39/72/70/218397270.db2.gz QHCDRSXAFLVSOK-UHFFFAOYSA-N 1 1 311.794 3.379 20 5 DGBDMO O=C(CC[N@@H+](CC1CC1)C1CCC1)Nc1ccccc1[N+](=O)[O-] ZINC000337442455 253116511 /nfs/dbraw/zinc/11/65/11/253116511.db2.gz AQNGXMQEASVSGG-UHFFFAOYSA-N 1 1 317.389 3.188 20 5 DGBDMO CC(C)CC[N@@H+](CCC(=O)Nc1ccccc1[N+](=O)[O-])C1CC1 ZINC000337344099 253092946 /nfs/dbraw/zinc/09/29/46/253092946.db2.gz YJVMQGQZQPECLS-UHFFFAOYSA-N 1 1 319.405 3.434 20 5 DGBDMO CC(C)CO[C@@H]1CC[N@H+](Cc2ccc(Cl)cc2[N+](=O)[O-])C1 ZINC000120175939 195112143 /nfs/dbraw/zinc/11/21/43/195112143.db2.gz YLAYGVBHJKFAEJ-CQSZACIVSA-N 1 1 312.797 3.495 20 5 DGBDMO CC(C)CO[C@@H]1CC[N@@H+](Cc2ccc(Cl)cc2[N+](=O)[O-])C1 ZINC000120175939 195112145 /nfs/dbraw/zinc/11/21/45/195112145.db2.gz YLAYGVBHJKFAEJ-CQSZACIVSA-N 1 1 312.797 3.495 20 5 DGBDMO O=[N+]([O-])c1ccc(CC[N@H+]2CCS[C@H]3CCCC[C@@H]32)cc1 ZINC000437541697 285111222 /nfs/dbraw/zinc/11/12/22/285111222.db2.gz XMWMXJROHSYCJC-HOTGVXAUSA-N 1 1 306.431 3.497 20 5 DGBDMO Cc1[nH+]ccn1-c1ccccc1CNc1nc(C)ccc1[N+](=O)[O-] ZINC000338719836 253341182 /nfs/dbraw/zinc/34/11/82/253341182.db2.gz XQUSHQFXTPXIBC-UHFFFAOYSA-N 1 1 323.356 3.404 20 5 DGBDMO Cc1cccc2ncc(C[N@@H+](C)CCc3cccc([N+](=O)[O-])c3)n21 ZINC000338963568 253379926 /nfs/dbraw/zinc/37/99/26/253379926.db2.gz ZYGCULHFPYVPTG-UHFFFAOYSA-N 1 1 324.384 3.225 20 5 DGBDMO O=[N+]([O-])c1ccc(-c2ccc(C[N@@H+]3CCC[C@@H](O)C3)s2)cc1 ZINC000158751913 197298651 /nfs/dbraw/zinc/29/86/51/197298651.db2.gz CZHAFXCSTCTERA-CQSZACIVSA-N 1 1 318.398 3.280 20 5 DGBDMO CC[N@@H+](CC1CC1)[C@@H](C)c1nnc(-c2ccc([N+](=O)[O-])cc2)o1 ZINC000157895258 197224280 /nfs/dbraw/zinc/22/42/80/197224280.db2.gz UVGOIHWDUFTSDW-NSHDSACASA-N 1 1 316.361 3.438 20 5 DGBDMO CC(C)[C@@H]1CC[N@@H+]1Cc1cc([N+](=O)[O-])ccc1OC(F)F ZINC000342847116 254064663 /nfs/dbraw/zinc/06/46/63/254064663.db2.gz AQUORWZLRDVNEF-LBPRGKRZSA-N 1 1 300.305 3.427 20 5 DGBDMO CC(C)[C@@H]1CC[N@H+]1Cc1cc([N+](=O)[O-])ccc1OC(F)F ZINC000342847116 254064665 /nfs/dbraw/zinc/06/46/65/254064665.db2.gz AQUORWZLRDVNEF-LBPRGKRZSA-N 1 1 300.305 3.427 20 5 DGBDMO CC[C@H](C)C[N@@H+](CC)[C@@H]1CCN(c2cccc([N+](=O)[O-])c2)C1=O ZINC000343676492 254176545 /nfs/dbraw/zinc/17/65/45/254176545.db2.gz AHTHOWWKEDROPD-XJKSGUPXSA-N 1 1 319.405 3.068 20 5 DGBDMO CCC[N@H+]1CCC[C@H]1CNc1ccc([N+](=O)[O-])c(OCC)c1 ZINC000343940161 254204880 /nfs/dbraw/zinc/20/48/80/254204880.db2.gz DCZWGWVUHBXZKJ-AWEZNQCLSA-N 1 1 307.394 3.280 20 5 DGBDMO C[C@H](C(=O)Nc1ccccc1[N+](=O)[O-])[N@@H+](C)C[C@H]1CC=CCC1 ZINC000344061830 254219192 /nfs/dbraw/zinc/21/91/92/254219192.db2.gz MUORRQJMYLGXTL-KGLIPLIRSA-N 1 1 317.389 3.210 20 5 DGBDMO C[C@@H](C(=O)Nc1ccccc1[N+](=O)[O-])[N@H+]1CCC[C@H](C2CC2)C1 ZINC000344089529 254223762 /nfs/dbraw/zinc/22/37/62/254223762.db2.gz JIKAQGWPQAUWPS-JSGCOSHPSA-N 1 1 317.389 3.044 20 5 DGBDMO C[C@H](c1ccccc1[N+](=O)[O-])[N@@H+](C)CCC(=O)OC(C)(C)C ZINC000344210042 254239558 /nfs/dbraw/zinc/23/95/58/254239558.db2.gz CZDNHCXLMUJICO-GFCCVEGCSA-N 1 1 308.378 3.319 20 5 DGBDMO O=[N+]([O-])c1cccc(OCC[N@H+]2CCCc3occc3C2)c1 ZINC000344240524 254244091 /nfs/dbraw/zinc/24/40/91/254244091.db2.gz CRDPPJIIWCTEDA-UHFFFAOYSA-N 1 1 302.330 3.015 20 5 DGBDMO C/C(=C\c1cccc([N+](=O)[O-])c1)CNCCC[NH+]1CCCC1 ZINC000344796742 254306681 /nfs/dbraw/zinc/30/66/81/254306681.db2.gz VJFQCORWISAVSP-NTCAYCPXSA-N 1 1 303.406 3.074 20 5 DGBDMO CC[C@@H]1CC[C@@H](C)[N@H+]1Cc1nc(-c2cccc([N+](=O)[O-])c2)no1 ZINC000271562753 209016166 /nfs/dbraw/zinc/01/61/66/209016166.db2.gz PWIQAHYBEBHBBX-DGCLKSJQSA-N 1 1 316.361 3.408 20 5 DGBDMO Cc1c([C@@H](C)[NH2+]Cc2ncccc2N(C)C)cccc1[N+](=O)[O-] ZINC000289641253 221123227 /nfs/dbraw/zinc/12/32/27/221123227.db2.gz FTDVTDJFXIXGFS-CYBMUJFWSA-N 1 1 314.389 3.215 20 5 DGBDMO COc1cc(CNc2cc(C3CC3)cc[nH+]2)c([N+](=O)[O-])cc1O ZINC000289729490 221184519 /nfs/dbraw/zinc/18/45/19/221184519.db2.gz GQGGFDPEPOPODY-UHFFFAOYSA-N 1 1 315.329 3.194 20 5 DGBDMO O=[N+]([O-])c1cccc(C[N@@H+]2CC3(CCC3)[C@H]2[C@@H]2CCCO2)c1 ZINC000289749676 221201144 /nfs/dbraw/zinc/20/11/44/221201144.db2.gz YPDJWBPINSRAPN-JKSUJKDBSA-N 1 1 302.374 3.128 20 5 DGBDMO O=[N+]([O-])c1cccc(C[N@H+]2CC3(CCC3)[C@H]2[C@@H]2CCCO2)c1 ZINC000289749676 221201146 /nfs/dbraw/zinc/20/11/46/221201146.db2.gz YPDJWBPINSRAPN-JKSUJKDBSA-N 1 1 302.374 3.128 20 5 DGBDMO CC[N@@H+](CCOc1ccccc1[N+](=O)[O-])[C@@H]1CCOC(C)(C)C1 ZINC000289824557 221250187 /nfs/dbraw/zinc/25/01/87/221250187.db2.gz OHINDZNDSCERKV-CQSZACIVSA-N 1 1 322.405 3.253 20 5 DGBDMO CN(C/C=C/c1ccccc1[N+](=O)[O-])C1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC000289897854 221301901 /nfs/dbraw/zinc/30/19/01/221301901.db2.gz WQUXMLLCQLVBFC-SPCSRVOQSA-N 1 1 315.417 3.165 20 5 DGBDMO CC[N@@H+](Cc1cn(C)nc1-c1ccc([N+](=O)[O-])cc1)C(C)C ZINC000126343806 195831290 /nfs/dbraw/zinc/83/12/90/195831290.db2.gz IMEYOWIHMIRFCM-UHFFFAOYSA-N 1 1 302.378 3.226 20 5 DGBDMO CO[C@]1(C)CCC[N@H+](Cc2cc([N+](=O)[O-])ccc2OC(C)C)C1 ZINC000330959597 533370882 /nfs/dbraw/zinc/37/08/82/533370882.db2.gz AYGHDEGWUKISNE-QGZVFWFLSA-N 1 1 322.405 3.383 20 5 DGBDMO CO[C@]1(C)CCC[N@@H+](Cc2cc([N+](=O)[O-])ccc2OC(C)C)C1 ZINC000330959597 533370885 /nfs/dbraw/zinc/37/08/85/533370885.db2.gz AYGHDEGWUKISNE-QGZVFWFLSA-N 1 1 322.405 3.383 20 5 DGBDMO C[C@@H](C(=O)Nc1ccc([N+](=O)[O-])cc1)[N@@H+]1C[C@@H]2CCCC[C@@H]2C1 ZINC000177561262 533328092 /nfs/dbraw/zinc/32/80/92/533328092.db2.gz VTHJVRATPABGFD-MELADBBJSA-N 1 1 317.389 3.044 20 5 DGBDMO C/C(=C\c1cccc([N+](=O)[O-])c1)CNCC[N@H+]1CCC[C@@H](C)C1 ZINC000468636382 533408736 /nfs/dbraw/zinc/40/87/36/533408736.db2.gz AGBKSCZSGKCWQN-YLQKULKDSA-N 1 1 317.433 3.320 20 5 DGBDMO C/C(=C\c1cccc([N+](=O)[O-])c1)CNCC[N@@H+]1CCC[C@@H](C)C1 ZINC000468636382 533408738 /nfs/dbraw/zinc/40/87/38/533408738.db2.gz AGBKSCZSGKCWQN-YLQKULKDSA-N 1 1 317.433 3.320 20 5 DGBDMO COc1cccc(NCCC[N@H+]2CCCC[C@H]2C)c1[N+](=O)[O-] ZINC000317006770 533618833 /nfs/dbraw/zinc/61/88/33/533618833.db2.gz ILZYCRXLEKSFDJ-CYBMUJFWSA-N 1 1 307.394 3.280 20 5 DGBDMO O=[N+]([O-])c1ccc(N[C@@H]2CC[N@@H+](Cc3ccccc3)C2)s1 ZINC000066410721 400086355 /nfs/dbraw/zinc/08/63/55/400086355.db2.gz XKWSXZPWCWXTDK-CYBMUJFWSA-N 1 1 303.387 3.343 20 5 DGBDMO Cc1noc(C[NH+]2CCC(c3ccccc3)CC2)c1[N+](=O)[O-] ZINC000595288268 400117345 /nfs/dbraw/zinc/11/73/45/400117345.db2.gz MQOHVPBBHFKLDQ-UHFFFAOYSA-N 1 1 301.346 3.271 20 5 DGBDMO COc1cc([N+](=O)[O-])ccc1[C@@H](C)[NH2+]Cc1ccc(C)c(C)n1 ZINC000595052009 400090293 /nfs/dbraw/zinc/09/02/93/400090293.db2.gz PJBHSYAYPBLYTO-CYBMUJFWSA-N 1 1 315.373 3.466 20 5 DGBDMO COCC[N@H+](Cc1cc([N+](=O)[O-])ccc1OC(C)C)CC(C)C ZINC000303241902 400107354 /nfs/dbraw/zinc/10/73/54/400107354.db2.gz KEDMPZATDYHOCZ-UHFFFAOYSA-N 1 1 324.421 3.486 20 5 DGBDMO C[C@@H]([NH2+][C@H]1CC(C)(C)c2ccc([N+](=O)[O-])cc21)c1nccn1C ZINC000595108558 400108999 /nfs/dbraw/zinc/10/89/99/400108999.db2.gz SKWLZLXOPDKUMZ-ABAIWWIYSA-N 1 1 314.389 3.402 20 5 DGBDMO Cc1noc(C[N@H+]2CCC[C@@H](Cc3ccccc3)C2)c1[N+](=O)[O-] ZINC000595318718 400124880 /nfs/dbraw/zinc/12/48/80/400124880.db2.gz VMFCIBFKRNVJCL-HNNXBMFYSA-N 1 1 315.373 3.346 20 5 DGBDMO CCC[N@@H+](CCc1cccc(F)c1)Cc1onc(C)c1[N+](=O)[O-] ZINC000595324983 400126569 /nfs/dbraw/zinc/12/65/69/400126569.db2.gz UIFYZUZAEGSFAZ-UHFFFAOYSA-N 1 1 321.352 3.485 20 5 DGBDMO Cc1noc(C[N@@H+]2CC[C@H](c3ccccc3)[C@H]2C)c1[N+](=O)[O-] ZINC000595339502 400130696 /nfs/dbraw/zinc/13/06/96/400130696.db2.gz QEMJZZRREVDBJA-OCCSQVGLSA-N 1 1 301.346 3.269 20 5 DGBDMO CO[C@@H](C[N@@H+](Cc1cccc([N+](=O)[O-])c1)C1CC1)C1CCC1 ZINC000595353162 400134282 /nfs/dbraw/zinc/13/42/82/400134282.db2.gz NEIHGENCSDEJJV-KRWDZBQOSA-N 1 1 304.390 3.374 20 5 DGBDMO C[NH+](C)CCCC1CCN(Cc2ccc(F)cc2[N+](=O)[O-])CC1 ZINC000595405326 400140663 /nfs/dbraw/zinc/14/06/63/400140663.db2.gz VZKXDWYSTCTOCC-UHFFFAOYSA-N 1 1 323.412 3.288 20 5 DGBDMO Cc1ccc([N+](=O)[O-])cc1NC(=O)C[N@H+]1CCC[C@@H]1C1CCC1 ZINC000609120969 400141587 /nfs/dbraw/zinc/14/15/87/400141587.db2.gz QFNQXMYEBGCRJL-MRXNPFEDSA-N 1 1 317.389 3.106 20 5 DGBDMO CN(CCC[N@@H+](C)Cc1ccco1)c1sccc1[N+](=O)[O-] ZINC000588083409 400187376 /nfs/dbraw/zinc/18/73/76/400187376.db2.gz PILPJBMZZDMIPY-UHFFFAOYSA-N 1 1 309.391 3.208 20 5 DGBDMO CN(CCC[N@@H+](C)Cc1ccco1)c1ccsc1[N+](=O)[O-] ZINC000588083382 400187426 /nfs/dbraw/zinc/18/74/26/400187426.db2.gz ANRDQXSGYIVZLI-UHFFFAOYSA-N 1 1 309.391 3.208 20 5 DGBDMO C[N@@H+](CCOCc1ccccc1)CCc1cccc([N+](=O)[O-])c1 ZINC000595473300 400161226 /nfs/dbraw/zinc/16/12/26/400161226.db2.gz ACVUIQFDHCXVRM-UHFFFAOYSA-N 1 1 314.385 3.286 20 5 DGBDMO CN(C)c1ccccc1C[N@H+](C)Cc1ccc(F)cc1[N+](=O)[O-] ZINC000595488682 400166383 /nfs/dbraw/zinc/16/63/83/400166383.db2.gz IGTBMQFNHJOXPL-UHFFFAOYSA-N 1 1 317.364 3.432 20 5 DGBDMO CN(C)c1ccccc1C[N@@H+](C)Cc1ccc(F)cc1[N+](=O)[O-] ZINC000595488682 400166387 /nfs/dbraw/zinc/16/63/87/400166387.db2.gz IGTBMQFNHJOXPL-UHFFFAOYSA-N 1 1 317.364 3.432 20 5 DGBDMO C[C@H](CNc1ccc([N+](=O)[O-])c(OC(F)F)c1)[N@@H+](C)C1CC1 ZINC000092649544 400188204 /nfs/dbraw/zinc/18/82/04/400188204.db2.gz VSNXFUKWUBUNRG-SECBINFHSA-N 1 1 315.320 3.091 20 5 DGBDMO C[C@@H](CO)[C@@H]1CCCC[N@H+]1Cc1ccc([N+](=O)[O-])cc1Cl ZINC000595677566 400224863 /nfs/dbraw/zinc/22/48/63/400224863.db2.gz PAXHNFYMNIYPRP-NHYWBVRUSA-N 1 1 312.797 3.231 20 5 DGBDMO COC[C@@H]([NH2+]Cc1ccccc1[N+](=O)[O-])c1cccc(OC)c1 ZINC000595685657 400225734 /nfs/dbraw/zinc/22/57/34/400225734.db2.gz YFEKIPNMCGQHRY-MRXNPFEDSA-N 1 1 316.357 3.081 20 5 DGBDMO C[N@@H+](Cc1ccccc1)[C@@H]1CCN(c2ccsc2[N+](=O)[O-])C1 ZINC000610281902 400234338 /nfs/dbraw/zinc/23/43/38/400234338.db2.gz XAYRVVWSWHHZOL-CQSZACIVSA-N 1 1 317.414 3.367 20 5 DGBDMO O=[N+]([O-])c1ccc2[nH+]ccc(N3CCC[C@@H](n4ccnc4)C3)c2c1 ZINC000601115042 400238056 /nfs/dbraw/zinc/23/80/56/400238056.db2.gz YEYMZDHQPVZAAV-CQSZACIVSA-N 1 1 323.356 3.181 20 5 DGBDMO CN(CCOCC1CC1)c1cc[nH+]c2ccc([N+](=O)[O-])cc21 ZINC000601127496 400241229 /nfs/dbraw/zinc/24/12/29/400241229.db2.gz HTUOSSQNXQEARG-UHFFFAOYSA-N 1 1 301.346 3.006 20 5 DGBDMO Cc1ccc([N+](=O)[O-])cc1[C@H](C)[N@H+]1CCC[C@@](O)(C2CC2)C1 ZINC000595752667 400249383 /nfs/dbraw/zinc/24/93/83/400249383.db2.gz VEFOHOJTFNQYTL-GUYCJALGSA-N 1 1 304.390 3.201 20 5 DGBDMO C[C@@H](c1ccccc1[N+](=O)[O-])[N@H+]1CCC[C@@H](n2ccnc2)C1 ZINC000610368838 400252327 /nfs/dbraw/zinc/25/23/27/400252327.db2.gz UTMVGBJSIMHDBD-UONOGXRCSA-N 1 1 300.362 3.189 20 5 DGBDMO Cc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@H+]1C[C@@H]2CCCC[C@@H]21 ZINC000595565112 400190054 /nfs/dbraw/zinc/19/00/54/400190054.db2.gz AZSWDFAOXSASDU-BBRMVZONSA-N 1 1 317.389 3.106 20 5 DGBDMO Cc1ccc([N+](=O)[O-])cc1[C@@H](C)[N@H+]1C[C@@H]2CC[C@H](O)C[C@@H]2C1 ZINC000595634661 400213557 /nfs/dbraw/zinc/21/35/57/400213557.db2.gz HOEBVSRXNFYQJE-CTASWTNQSA-N 1 1 304.390 3.057 20 5 DGBDMO O=[N+]([O-])c1sccc1N1CCC[N@@H+](Cc2ccccc2)CC1 ZINC000067910620 400216762 /nfs/dbraw/zinc/21/67/62/400216762.db2.gz SEBMPGTYESJXME-UHFFFAOYSA-N 1 1 317.414 3.369 20 5 DGBDMO O=[N+]([O-])c1cc(F)ccc1C[NH+]1CCC(c2ccon2)CC1 ZINC000595827760 400272677 /nfs/dbraw/zinc/27/26/77/400272677.db2.gz HJSBBCMEMFQOEJ-UHFFFAOYSA-N 1 1 305.309 3.102 20 5 DGBDMO C[C@H](c1cccs1)[N@H+](C)CC(=O)Nc1ccccc1[N+](=O)[O-] ZINC000027554440 400274708 /nfs/dbraw/zinc/27/47/08/400274708.db2.gz OSGKYHZHCIHWOL-LLVKDONJSA-N 1 1 319.386 3.288 20 5 DGBDMO C[C@H](c1cccs1)[N@@H+](C)CC(=O)Nc1ccccc1[N+](=O)[O-] ZINC000027554440 400274710 /nfs/dbraw/zinc/27/47/10/400274710.db2.gz OSGKYHZHCIHWOL-LLVKDONJSA-N 1 1 319.386 3.288 20 5 DGBDMO C[N@H+]1CC[C@@H]2[C@@H](CCCN2C/C=C\c2ccccc2[N+](=O)[O-])C1 ZINC000589206585 400277210 /nfs/dbraw/zinc/27/72/10/400277210.db2.gz UAKAMMGDWAIGKK-BDLCJYEQSA-N 1 1 315.417 3.024 20 5 DGBDMO C[N@@H+](Cc1nc2cc([N+](=O)[O-])ccc2o1)C1Cc2ccccc2C1 ZINC000610581002 400277965 /nfs/dbraw/zinc/27/79/65/400277965.db2.gz VPTYNPOTRIAHIO-UHFFFAOYSA-N 1 1 323.352 3.335 20 5 DGBDMO C[N@H+]1CCC[C@H](CNc2ccc(C(F)(F)F)c([N+](=O)[O-])c2)C1 ZINC000596119849 400322744 /nfs/dbraw/zinc/32/27/44/400322744.db2.gz QJRBRXYDGUHUMO-SNVBAGLBSA-N 1 1 317.311 3.367 20 5 DGBDMO O=[N+]([O-])c1ccc(CC[N@@H+]2C[C@]34COC[C@@]3(C2)CCCC4)cc1 ZINC000595912226 400293572 /nfs/dbraw/zinc/29/35/72/400293572.db2.gz ZVWLNLXXDNXCFG-HDICACEKSA-N 1 1 316.401 3.030 20 5 DGBDMO COC(=O)c1ccc([N+](=O)[O-])c(C[N@H+]2CC[C@@H](C)C[C@H](C)C2)c1 ZINC000589501634 400302494 /nfs/dbraw/zinc/30/24/94/400302494.db2.gz UQZAZGNPAGZKJM-OLZOCXBDSA-N 1 1 320.389 3.249 20 5 DGBDMO Cc1cc([N+](=O)[O-])ccc1CNC[C@H]1CCC[N@@H+](CC2CC2)C1 ZINC000596058029 400306495 /nfs/dbraw/zinc/30/64/95/400306495.db2.gz BFNCBNJDGRMVPI-MRXNPFEDSA-N 1 1 317.433 3.115 20 5 DGBDMO O=[N+]([O-])c1cccc(C[N@H+]2CCC[C@H]([C@H]3CCCCO3)C2)c1 ZINC000595787662 400259916 /nfs/dbraw/zinc/25/99/16/400259916.db2.gz FTURQROTMVNNIN-DOTOQJQBSA-N 1 1 304.390 3.376 20 5 DGBDMO O=[N+]([O-])c1ccc(CC[N@H+]2CCC[C@@H]([C@H]3CCCCO3)C2)cc1 ZINC000595792269 400262573 /nfs/dbraw/zinc/26/25/73/400262573.db2.gz ZBLDAVMPSVOOPN-SJLPKXTDSA-N 1 1 318.417 3.418 20 5 DGBDMO CC(C)n1ccnc1C[NH2+]C(C)(C)c1ccc([N+](=O)[O-])cc1 ZINC000611402670 400394263 /nfs/dbraw/zinc/39/42/63/400394263.db2.gz LLAAQWIPNXKUCN-UHFFFAOYSA-N 1 1 302.378 3.397 20 5 DGBDMO CCOc1cc(C[N@@H+](CCOC)C2CCCC2)ccc1[N+](=O)[O-] ZINC000617196133 400326760 /nfs/dbraw/zinc/32/67/60/400326760.db2.gz VFFNPCZEQGAKDD-UHFFFAOYSA-N 1 1 322.405 3.385 20 5 DGBDMO Cc1cc(C[NH2+]Cc2ccc(-c3ccc([N+](=O)[O-])cc3)o2)ncn1 ZINC000611134793 400349995 /nfs/dbraw/zinc/34/99/95/400349995.db2.gz XMVJCKSBTTXUHU-UHFFFAOYSA-N 1 1 324.340 3.243 20 5 DGBDMO COc1ccc([N+](=O)[O-])c(OC[C@H]2CCCC[N@H+]2C(C)C)c1 ZINC000596306062 400375626 /nfs/dbraw/zinc/37/56/26/400375626.db2.gz YOEPGNPDLFSWMT-CYBMUJFWSA-N 1 1 308.378 3.245 20 5 DGBDMO CC(=O)c1ccc(NC[C@@H]2CC[N@H+](C(C)(C)C)C2)c([N+](=O)[O-])c1 ZINC000596306869 400375708 /nfs/dbraw/zinc/37/57/08/400375708.db2.gz JBSQYASWTRXZJJ-ZDUSSCGKSA-N 1 1 319.405 3.330 20 5 DGBDMO Cc1cc(C)c([N+](=O)[O-])c(NC[C@@H]2CC[N@H+](C(C)(C)C)C2)n1 ZINC000596308371 400375757 /nfs/dbraw/zinc/37/57/57/400375757.db2.gz RGWMCNUPVJRJMU-ZDUSSCGKSA-N 1 1 306.410 3.139 20 5 DGBDMO CC[C@H]1C[C@H](C)C[N@H+]1CCC(=O)Nc1cc([N+](=O)[O-])ccc1C ZINC000072698043 400398712 /nfs/dbraw/zinc/39/87/12/400398712.db2.gz OTNFLDVAJQHLLB-JSGCOSHPSA-N 1 1 319.405 3.352 20 5 DGBDMO Cc1cnc(N[C@@H]2CC[N@H+](C3CCCCC3)C2)c([N+](=O)[O-])c1 ZINC000596477885 400424262 /nfs/dbraw/zinc/42/42/62/400424262.db2.gz LJPMVAIICIVYGO-CYBMUJFWSA-N 1 1 304.394 3.117 20 5 DGBDMO Nc1c(F)c(N[C@@H]2CC[N@H+](C3CCCCC3)C2)ccc1[N+](=O)[O-] ZINC000596480165 400424463 /nfs/dbraw/zinc/42/44/63/400424463.db2.gz WTSRCSCBFXHAHH-LLVKDONJSA-N 1 1 322.384 3.135 20 5 DGBDMO Cc1cc(N[C@H]2CC[N@H+](C3CCCCC3)C2)ncc1[N+](=O)[O-] ZINC000596480945 400425923 /nfs/dbraw/zinc/42/59/23/400425923.db2.gz VGARSBUSONCZAP-ZDUSSCGKSA-N 1 1 304.394 3.117 20 5 DGBDMO Cc1ccc([N+](=O)[O-])c(C)c1NC(=O)Cn1cc[nH+]c1C(C)C ZINC000602151046 400417904 /nfs/dbraw/zinc/41/79/04/400417904.db2.gz GQUCSUYJUXGBBL-UHFFFAOYSA-N 1 1 316.361 3.170 20 5 DGBDMO COc1cccc2c1C[N@@H+](CCc1ccc([N+](=O)[O-])cc1)CC2 ZINC000590759785 400429941 /nfs/dbraw/zinc/42/99/41/400429941.db2.gz NVZHTZHCLQLAMY-UHFFFAOYSA-N 1 1 312.369 3.204 20 5 DGBDMO Cc1noc([C@H](C)[N@@H+]2CCC[C@@H](c3ccc([N+](=O)[O-])cc3)C2)n1 ZINC000590757311 400430009 /nfs/dbraw/zinc/43/00/09/400430009.db2.gz ICOBDYZQFBANTK-SMDDNHRTSA-N 1 1 316.361 3.227 20 5 DGBDMO Cc1noc([C@H](C)[N@H+]2CCC[C@@H](c3ccc([N+](=O)[O-])cc3)C2)n1 ZINC000590757311 400430011 /nfs/dbraw/zinc/43/00/11/400430011.db2.gz ICOBDYZQFBANTK-SMDDNHRTSA-N 1 1 316.361 3.227 20 5 DGBDMO CCOc1cc(C[N@H+]2CCSC[C@H]2C2CC2)ccc1[N+](=O)[O-] ZINC000590758750 400429664 /nfs/dbraw/zinc/42/96/64/400429664.db2.gz QNUZMSOKNADBEM-HNNXBMFYSA-N 1 1 322.430 3.321 20 5 DGBDMO CCC[N@@H+](C)CC(C)(C)Nc1ncnc2ccc([N+](=O)[O-])cc21 ZINC000596542232 400440264 /nfs/dbraw/zinc/44/02/64/400440264.db2.gz MATOGFIMGWDHRJ-UHFFFAOYSA-N 1 1 317.393 3.070 20 5 DGBDMO O=[N+]([O-])c1cc(F)ccc1NC[C@H]1CCC[N@@H+](CC2CC2)C1 ZINC000596570443 400446721 /nfs/dbraw/zinc/44/67/21/400446721.db2.gz LCTGHVBPCVXDFK-CYBMUJFWSA-N 1 1 307.369 3.268 20 5 DGBDMO CCOCC[N@H+](C)Cc1ccc(C(F)(F)F)cc1[N+](=O)[O-] ZINC000602591048 400507487 /nfs/dbraw/zinc/50/74/87/400507487.db2.gz JSTMCAIEWMDRNS-UHFFFAOYSA-N 1 1 306.284 3.082 20 5 DGBDMO CCOCC[N@@H+](C)Cc1ccc(C(F)(F)F)cc1[N+](=O)[O-] ZINC000602591048 400507488 /nfs/dbraw/zinc/50/74/88/400507488.db2.gz JSTMCAIEWMDRNS-UHFFFAOYSA-N 1 1 306.284 3.082 20 5 DGBDMO Cn1ccnc1[C@@H]([NH2+]C(C)(C)c1ccc([N+](=O)[O-])cc1)C1CC1 ZINC000602610224 400511171 /nfs/dbraw/zinc/51/11/71/400511171.db2.gz HAVSJEWVYDPORB-HNNXBMFYSA-N 1 1 314.389 3.304 20 5 DGBDMO O=[N+]([O-])c1ccc(OC2CC[NH+](Cc3ccns3)CC2)cc1 ZINC000602475643 400473068 /nfs/dbraw/zinc/47/30/68/400473068.db2.gz LXCHXJDSWVOKKQ-UHFFFAOYSA-N 1 1 319.386 3.095 20 5 DGBDMO O=[N+]([O-])c1ccc2oc(C[N@H+]3CC[C@H](C4CCC4)C3)nc2c1 ZINC000591062121 400481123 /nfs/dbraw/zinc/48/11/23/400481123.db2.gz WJHKZDSRGOYOQP-LBPRGKRZSA-N 1 1 301.346 3.358 20 5 DGBDMO COc1ncc(C[NH2+]C(C)(C)c2ccccc2[N+](=O)[O-])s1 ZINC000602673820 400534067 /nfs/dbraw/zinc/53/40/67/400534067.db2.gz SFEYPORWDBPYEY-UHFFFAOYSA-N 1 1 307.375 3.085 20 5 DGBDMO O=[N+]([O-])c1ccc2oc(C[NH+]3CC(C4CCCC4)C3)nc2c1 ZINC000602688046 400539457 /nfs/dbraw/zinc/53/94/57/400539457.db2.gz IMCMLDNAVMAMAC-UHFFFAOYSA-N 1 1 301.346 3.358 20 5 DGBDMO C[C@@]1(C2CC2)C[N@H+](C/C=C/c2ccccc2[N+](=O)[O-])CCO1 ZINC000597181047 400579096 /nfs/dbraw/zinc/57/90/96/400579096.db2.gz ZOSFBWSTKJNIRK-YXMMZVCTSA-N 1 1 302.374 3.109 20 5 DGBDMO C[C@@]1(C2CC2)C[N@@H+](C/C=C/c2ccccc2[N+](=O)[O-])CCO1 ZINC000597181047 400579100 /nfs/dbraw/zinc/57/91/00/400579100.db2.gz ZOSFBWSTKJNIRK-YXMMZVCTSA-N 1 1 302.374 3.109 20 5 DGBDMO CC1(C)C[C@@H](N[C@@H]2CCC[NH2+]CC2)c2cc([N+](=O)[O-])ccc21 ZINC000591578357 400541718 /nfs/dbraw/zinc/54/17/18/400541718.db2.gz WGXXGQVOFHWZEV-MLGOLLRUSA-N 1 1 303.406 3.049 20 5 DGBDMO O=[N+]([O-])c1cc(C(F)(F)F)ccc1C[N@H+]1CC[C@H]2C[C@H]2C1 ZINC000602714139 400549741 /nfs/dbraw/zinc/54/97/41/400549741.db2.gz UBXBSVAAHZVXQF-ONGXEEELSA-N 1 1 300.280 3.455 20 5 DGBDMO Cc1cc([N+](=O)[O-])ccc1NC(=O)C[N@@H+](C)CCC(C)(C)C ZINC000592144218 400612887 /nfs/dbraw/zinc/61/28/87/400612887.db2.gz DPRNCTHSPPHOLY-UHFFFAOYSA-N 1 1 307.394 3.210 20 5 DGBDMO C[C@H](C(=O)Nc1ccccc1[N+](=O)[O-])[N@@H+](C)CCC(C)(C)C ZINC000592144459 400615130 /nfs/dbraw/zinc/61/51/30/400615130.db2.gz IWOKIUFZSQFDIU-GFCCVEGCSA-N 1 1 307.394 3.290 20 5 DGBDMO CC(C)[C@@H]1CCC[N@H+]1Cc1nc(-c2ccc([N+](=O)[O-])cc2)no1 ZINC000140542858 400618570 /nfs/dbraw/zinc/61/85/70/400618570.db2.gz QKYSJSAFAOIOIH-AWEZNQCLSA-N 1 1 316.361 3.265 20 5 DGBDMO Cc1c(C[N@H+]2CC[C@H](O)[C@H]3CCCC[C@@H]32)cccc1[N+](=O)[O-] ZINC000602997825 400624038 /nfs/dbraw/zinc/62/40/38/400624038.db2.gz ROTSBYGXVJPFFQ-XIRDDKMYSA-N 1 1 304.390 3.029 20 5 DGBDMO C[N@@H+](CCOc1ccccc1[N+](=O)[O-])C1Cc2ccccc2C1 ZINC000141298301 400624733 /nfs/dbraw/zinc/62/47/33/400624733.db2.gz REDSQGXICMCQEC-UHFFFAOYSA-N 1 1 312.369 3.073 20 5 DGBDMO CC(C)Cn1nccc1C[NH2+]C(C)(C)c1ccccc1[N+](=O)[O-] ZINC000592368139 400638802 /nfs/dbraw/zinc/63/88/02/400638802.db2.gz VOCVWASTXYLTGZ-UHFFFAOYSA-N 1 1 316.405 3.472 20 5 DGBDMO CC[N@@H+](CCn1c(C)ncc1[N+](=O)[O-])[C@H](C)Cc1ccsc1 ZINC000602813805 400582787 /nfs/dbraw/zinc/58/27/87/400582787.db2.gz ZIMNDYAVNJMCBQ-GFCCVEGCSA-N 1 1 322.434 3.114 20 5 DGBDMO C[C@@H]([NH2+]Cc1nn(C)c2ccccc12)c1ccc([N+](=O)[O-])cc1 ZINC000612674556 400584878 /nfs/dbraw/zinc/58/48/78/400584878.db2.gz JBAJCYKZIJVOPW-GFCCVEGCSA-N 1 1 310.357 3.332 20 5 DGBDMO C/C(=C\c1cccc([N+](=O)[O-])c1)C[N@H+](C)CC1=CCCOC1 ZINC000597205026 400587679 /nfs/dbraw/zinc/58/76/79/400587679.db2.gz CBOQCEIWPFSCEX-NTEUORMPSA-N 1 1 302.374 3.277 20 5 DGBDMO CC(C)c1ccc(C[N@H+]2CCC[C@@](O)(C3CC3)C2)cc1[N+](=O)[O-] ZINC000597204342 400587727 /nfs/dbraw/zinc/58/77/27/400587727.db2.gz HSIGVHUJZSWQHJ-SFHVURJKSA-N 1 1 318.417 3.455 20 5 DGBDMO C[C@@H]1OCC[C@H]1C[N@H+]1CCC[C@H](c2ccc([N+](=O)[O-])cc2)C1 ZINC000602839650 400587971 /nfs/dbraw/zinc/58/79/71/400587971.db2.gz IAYBFKWHQWFAIL-BPUTZDHNSA-N 1 1 304.390 3.199 20 5 DGBDMO CC(C)c1ccc(C[N@H+]2CC[C@H]3COC[C@@H]3C2)cc1[N+](=O)[O-] ZINC000597231211 400594572 /nfs/dbraw/zinc/59/45/72/400594572.db2.gz OIGSBTRFBSEDIW-GJZGRUSLSA-N 1 1 304.390 3.187 20 5 DGBDMO O=[N+]([O-])c1ccc(C[N@H+]2CCC[C@@H]2[C@H]2CCCOC2)c(F)c1 ZINC000592134936 400611652 /nfs/dbraw/zinc/61/16/52/400611652.db2.gz VDDVGVWXTSEKDP-XJKSGUPXSA-N 1 1 308.353 3.125 20 5 DGBDMO CCO[C@H]1CCC[N@H+](Cc2cc([N+](=O)[O-])ccc2OC(C)C)C1 ZINC000076406937 400653329 /nfs/dbraw/zinc/65/33/29/400653329.db2.gz PSTWHZDYOOGXQT-INIZCTEOSA-N 1 1 322.405 3.383 20 5 DGBDMO CCO[C@H]1CCC[N@@H+](Cc2cc([N+](=O)[O-])ccc2OC(C)C)C1 ZINC000076406937 400653330 /nfs/dbraw/zinc/65/33/30/400653330.db2.gz PSTWHZDYOOGXQT-INIZCTEOSA-N 1 1 322.405 3.383 20 5 DGBDMO Cc1ccc(C[N@@H+](C)CCOc2ccccc2[N+](=O)[O-])cc1 ZINC000603840624 400721762 /nfs/dbraw/zinc/72/17/62/400721762.db2.gz XRVAANHWVUDNRH-UHFFFAOYSA-N 1 1 300.358 3.414 20 5 DGBDMO C[N@@H+](CCSc1cccnc1[N+](=O)[O-])Cc1ccccc1 ZINC000618981324 400736913 /nfs/dbraw/zinc/73/69/13/400736913.db2.gz UUZRNYJTGNDSPH-UHFFFAOYSA-N 1 1 303.387 3.214 20 5 DGBDMO O=[N+]([O-])c1cccnc1N1CCC[N@@H+](CC2CCCCC2)CC1 ZINC000077307442 400706861 /nfs/dbraw/zinc/70/68/61/400706861.db2.gz LAKPPYASOCJVAK-UHFFFAOYSA-N 1 1 318.421 3.082 20 5 DGBDMO CCC[N@@H+](C)C[C@H]1CCN(c2ccc(Cl)cc2[N+](=O)[O-])C1 ZINC000078562690 400808985 /nfs/dbraw/zinc/80/89/85/400808985.db2.gz CJWXMRXRTBSTAM-GFCCVEGCSA-N 1 1 311.813 3.416 20 5 DGBDMO Cn1cc[nH+]c1C[C@@H](Nc1ccc([N+](=O)[O-])nc1)c1ccccc1 ZINC000078558955 400809332 /nfs/dbraw/zinc/80/93/32/400809332.db2.gz QKZZCEAZZHCJGX-OAHLLOKOSA-N 1 1 323.356 3.119 20 5 DGBDMO Cc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@H+](C)CCC(C)C ZINC000053365395 400777309 /nfs/dbraw/zinc/77/73/09/400777309.db2.gz KFBPPMLNRLEPLO-UHFFFAOYSA-N 1 1 307.394 3.210 20 5 DGBDMO CC[N@H+](CCC(F)(F)F)Cc1ccc(OC)c([N+](=O)[O-])c1 ZINC000604525290 400783971 /nfs/dbraw/zinc/78/39/71/400783971.db2.gz HVQXILBASJEWRD-UHFFFAOYSA-N 1 1 306.284 3.378 20 5 DGBDMO CC[N@@H+](CCC(F)(F)F)Cc1ccc(OC)c([N+](=O)[O-])c1 ZINC000604525290 400783973 /nfs/dbraw/zinc/78/39/73/400783973.db2.gz HVQXILBASJEWRD-UHFFFAOYSA-N 1 1 306.284 3.378 20 5 DGBDMO Cc1cc(NCC[N@H+]2CCc3sccc3C2)ccc1[N+](=O)[O-] ZINC000053580035 400791575 /nfs/dbraw/zinc/79/15/75/400791575.db2.gz PIRKNUPDFZIRNY-UHFFFAOYSA-N 1 1 317.414 3.435 20 5 DGBDMO CCOc1cncc(C[NH2+]C(C)(C)c2ccccc2[N+](=O)[O-])c1 ZINC000598643376 400849330 /nfs/dbraw/zinc/84/93/30/400849330.db2.gz BMEGCVANPHJQIY-UHFFFAOYSA-N 1 1 315.373 3.413 20 5 DGBDMO COc1ccc(F)c(C[NH2+]Cc2ccc([N+](=O)[O-])cc2C)c1 ZINC000598648676 400850326 /nfs/dbraw/zinc/85/03/26/400850326.db2.gz RDJRPHOQTOGUHK-UHFFFAOYSA-N 1 1 304.321 3.341 20 5 DGBDMO CCn1ccc(C[N@H+](C)Cc2ccc([N+](=O)[O-])cc2OC)c1 ZINC000619531874 400863305 /nfs/dbraw/zinc/86/33/05/400863305.db2.gz FYPSFMKAPJKSFL-UHFFFAOYSA-N 1 1 303.362 3.057 20 5 DGBDMO CCn1ccc(C[N@@H+](C)Cc2ccc([N+](=O)[O-])cc2OC)c1 ZINC000619531874 400863309 /nfs/dbraw/zinc/86/33/09/400863309.db2.gz FYPSFMKAPJKSFL-UHFFFAOYSA-N 1 1 303.362 3.057 20 5 DGBDMO Cc1c([C@H](C)[NH2+]C[C@@H]2CCCC[N@@H+](C)C2)cccc1[N+](=O)[O-] ZINC000599069298 400948316 /nfs/dbraw/zinc/94/83/16/400948316.db2.gz FKLKHOIQPPOHJZ-GJZGRUSLSA-N 1 1 305.422 3.286 20 5 DGBDMO Cc1c([C@H](C)NC[C@@H]2CCCC[N@H+](C)C2)cccc1[N+](=O)[O-] ZINC000599069298 400948323 /nfs/dbraw/zinc/94/83/23/400948323.db2.gz FKLKHOIQPPOHJZ-GJZGRUSLSA-N 1 1 305.422 3.286 20 5 DGBDMO Cc1c([C@H](C)NC[C@@H]2CCCC[N@@H+](C)C2)cccc1[N+](=O)[O-] ZINC000599069298 400948330 /nfs/dbraw/zinc/94/83/30/400948330.db2.gz FKLKHOIQPPOHJZ-GJZGRUSLSA-N 1 1 305.422 3.286 20 5 DGBDMO CC(C)[N@@H+](C)C[C@H](C)Nc1ccc2cnccc2c1[N+](=O)[O-] ZINC000599085650 400955480 /nfs/dbraw/zinc/95/54/80/400955480.db2.gz UVKPAMABYOJUJM-LBPRGKRZSA-N 1 1 302.378 3.284 20 5 DGBDMO O=[N+]([O-])c1ccccc1CNC[C@@H]1CC[N@H+]1C1CCCCC1 ZINC000598991991 400921645 /nfs/dbraw/zinc/92/16/45/400921645.db2.gz IDBWHPGNAIMOHT-INIZCTEOSA-N 1 1 303.406 3.091 20 5 DGBDMO O=[N+]([O-])c1ccccc1C[NH2+]C[C@@H]1CCN1C1CCCCC1 ZINC000598991991 400921647 /nfs/dbraw/zinc/92/16/47/400921647.db2.gz IDBWHPGNAIMOHT-INIZCTEOSA-N 1 1 303.406 3.091 20 5 DGBDMO O=[N+]([O-])c1ccccc1/C=C/CNC[C@@H]1CC[N@@H+]1C1CCCC1 ZINC000598998852 400925751 /nfs/dbraw/zinc/92/57/51/400925751.db2.gz JAUAYYMUIGEQNZ-UABRLCRWSA-N 1 1 315.417 3.215 20 5 DGBDMO O=[N+]([O-])c1ccccc1/C=C/CNC[C@@H]1CC[N@H+]1C1CCCC1 ZINC000598998852 400925759 /nfs/dbraw/zinc/92/57/59/400925759.db2.gz JAUAYYMUIGEQNZ-UABRLCRWSA-N 1 1 315.417 3.215 20 5 DGBDMO C[N@@H+](CCNc1ccc2cnccc2c1[N+](=O)[O-])C1CCCC1 ZINC000599037819 400934090 /nfs/dbraw/zinc/93/40/90/400934090.db2.gz FLQDSPDURYDKSS-UHFFFAOYSA-N 1 1 314.389 3.429 20 5 DGBDMO COc1cc(NC[C@@H]2CC[N@H+]2C2CCCC2)c(F)cc1[N+](=O)[O-] ZINC000599164723 400982358 /nfs/dbraw/zinc/98/23/58/400982358.db2.gz KIXGLQVTFZFUEX-LBPRGKRZSA-N 1 1 323.368 3.171 20 5 DGBDMO Cc1cnc(NC[C@@H]2CC[N@H+]2C2CCCCC2)c([N+](=O)[O-])c1 ZINC000599128342 400970050 /nfs/dbraw/zinc/97/00/50/400970050.db2.gz XTWMTZJGIZVBNF-AWEZNQCLSA-N 1 1 304.394 3.117 20 5 DGBDMO COc1cc(C[N@@H+]2CCCC(F)(F)CC2)c([N+](=O)[O-])cc1F ZINC000599553174 401075496 /nfs/dbraw/zinc/07/54/96/401075496.db2.gz SRXMRVPXJACCAS-UHFFFAOYSA-N 1 1 318.295 3.364 20 5 DGBDMO COc1cc(C[N@H+]2CCCC(F)(F)CC2)c([N+](=O)[O-])cc1F ZINC000599553174 401075499 /nfs/dbraw/zinc/07/54/99/401075499.db2.gz SRXMRVPXJACCAS-UHFFFAOYSA-N 1 1 318.295 3.364 20 5 DGBDMO CCC(O)(CC)C[N@@H+](C)Cc1ccc([N+](=O)[O-])cc1Cl ZINC000599673083 401108041 /nfs/dbraw/zinc/10/80/41/401108041.db2.gz JHPKGCVEEVNAGE-UHFFFAOYSA-N 1 1 300.786 3.231 20 5 DGBDMO CC1(C)CCC[N@@H+]1CCN[C@@H]1CCc2c1cccc2[N+](=O)[O-] ZINC000594516771 401094478 /nfs/dbraw/zinc/09/44/78/401094478.db2.gz FFHRCAWYPDMQDK-OAHLLOKOSA-N 1 1 303.406 3.046 20 5 DGBDMO CC1(C)CCC[N@H+]1CCN[C@@H]1CCc2c1cccc2[N+](=O)[O-] ZINC000594516771 401094481 /nfs/dbraw/zinc/09/44/81/401094481.db2.gz FFHRCAWYPDMQDK-OAHLLOKOSA-N 1 1 303.406 3.046 20 5 DGBDMO COc1ccc(OCC[N@@H+](C)Cc2ccccc2[N+](=O)[O-])cc1 ZINC000061784244 401165144 /nfs/dbraw/zinc/16/51/44/401165144.db2.gz RDBBAMUNXBAFAJ-UHFFFAOYSA-N 1 1 316.357 3.114 20 5 DGBDMO CCc1ccc(C)[nH+]c1NCc1cc(OC)c(O)c([N+](=O)[O-])c1 ZINC000594742638 401167609 /nfs/dbraw/zinc/16/76/09/401167609.db2.gz LZLXVENEKPDZTO-UHFFFAOYSA-N 1 1 317.345 3.187 20 5 DGBDMO C/C(=C\c1cccc([N+](=O)[O-])c1)CN[C@H]1CC[N@@H+](C(C)(C)C)C1 ZINC000594955921 401206871 /nfs/dbraw/zinc/20/68/71/401206871.db2.gz HJPULEPYGSVIEK-DKGMDFAASA-N 1 1 317.433 3.461 20 5 DGBDMO C/C(=C\c1cccc([N+](=O)[O-])c1)CN[C@H]1CC[N@H+](C(C)(C)C)C1 ZINC000594955921 401206876 /nfs/dbraw/zinc/20/68/76/401206876.db2.gz HJPULEPYGSVIEK-DKGMDFAASA-N 1 1 317.433 3.461 20 5 DGBDMO O=[N+]([O-])c1cc(CN[C@@H]2CC[N@H+](C3CCCCC3)C2)cs1 ZINC000594977976 401216590 /nfs/dbraw/zinc/21/65/90/401216590.db2.gz OVVZBTZQTNKRLC-CYBMUJFWSA-N 1 1 309.435 3.153 20 5 DGBDMO O=[N+]([O-])c1sccc1N1CC[NH+](CCc2cccs2)CC1 ZINC000063264943 401184736 /nfs/dbraw/zinc/18/47/36/401184736.db2.gz RJBGAGWXFHNCEH-UHFFFAOYSA-N 1 1 323.443 3.083 20 5 DGBDMO Cn1c2ccc(Nc3ccc([N+](=O)[O-])cn3)cc2[nH+]c1C1CC1 ZINC000089649079 401233940 /nfs/dbraw/zinc/23/39/40/401233940.db2.gz BKAJDPNMAMVJIS-UHFFFAOYSA-N 1 1 309.329 3.498 20 5 DGBDMO O=[N+]([O-])c1cc(Cl)ccc1C[NH2+][C@@H](CO)c1ccc(F)cc1 ZINC000359630198 286350705 /nfs/dbraw/zinc/35/07/05/286350705.db2.gz XYZWWGFLLQELCF-AWEZNQCLSA-N 1 1 324.739 3.211 20 5 DGBDMO Cn1cnc([N+](=O)[O-])c1C[N@H+]1CCCC2(CCCCC2)CC1 ZINC000364924928 287076693 /nfs/dbraw/zinc/07/66/93/287076693.db2.gz XKBDWBPRHBELAX-UHFFFAOYSA-N 1 1 306.410 3.265 20 5 DGBDMO Cc1c(C[N@H+]2CCSC3(CCOCC3)C2)cccc1[N+](=O)[O-] ZINC000186847534 165064054 /nfs/dbraw/zinc/06/40/54/165064054.db2.gz BWRDDDGECVZPFN-UHFFFAOYSA-N 1 1 322.430 3.001 20 5 DGBDMO COc1cc(C[N@H+]2CCCC[C@@H](C)C2)c([N+](=O)[O-])cc1OC ZINC000187516947 165092554 /nfs/dbraw/zinc/09/25/54/165092554.db2.gz UXDXMVPESQIQJU-GFCCVEGCSA-N 1 1 308.378 3.234 20 5 DGBDMO CC[C@H]1[C@@H](C)CC[N@H+]1Cc1cc(OC)c(OC)cc1[N+](=O)[O-] ZINC000187578834 165095836 /nfs/dbraw/zinc/09/58/36/165095836.db2.gz KXWZXCPXHVEPBD-AAEUAGOBSA-N 1 1 308.378 3.232 20 5 DGBDMO C[N@@H+](CCNc1c(Cl)cc([N+](=O)[O-])cc1Cl)C1CC1 ZINC000228844111 165391045 /nfs/dbraw/zinc/39/10/45/165391045.db2.gz ZZNSHWICLHXSAK-UHFFFAOYSA-N 1 1 304.177 3.408 20 5 DGBDMO CC(C)c1ccc(C[N@H+]2CC[C@@H](n3cccn3)C2)cc1[N+](=O)[O-] ZINC000365845012 287179523 /nfs/dbraw/zinc/17/95/23/287179523.db2.gz BIAGXZVSFMTEGB-OAHLLOKOSA-N 1 1 314.389 3.362 20 5 DGBDMO CCOc1ccc([N+](=O)[O-])cc1C[N@H+]1CCSC[C@H](C)C1 ZINC000190452109 432159130 /nfs/dbraw/zinc/15/91/30/432159130.db2.gz LTKQXFFHQQBJCG-GFCCVEGCSA-N 1 1 310.419 3.178 20 5 DGBDMO CC[N@H+](Cc1cccs1)C[C@@H](O)c1cccc([N+](=O)[O-])c1 ZINC000269698156 432198655 /nfs/dbraw/zinc/19/86/55/432198655.db2.gz KVYFEXOKIOTXLD-OAHLLOKOSA-N 1 1 306.387 3.212 20 5 DGBDMO Cc1ccc(C[N@@H+](C)C[C@@H](O)c2cccc([N+](=O)[O-])c2)s1 ZINC000269655556 432192786 /nfs/dbraw/zinc/19/27/86/432192786.db2.gz OLIRQIWBRUDHLV-OAHLLOKOSA-N 1 1 306.387 3.130 20 5 DGBDMO C[C@@H](C[N@@H+](C)C[C@@H](O)c1cccc([N+](=O)[O-])c1)c1ccccc1 ZINC000269653257 432192816 /nfs/dbraw/zinc/19/28/16/432192816.db2.gz NJTBFQHLKUADJS-KBXCAEBGSA-N 1 1 314.385 3.364 20 5 DGBDMO COc1ccc(C[N@H+](Cc2ccc([N+](=O)[O-])cc2)C2CC2)cn1 ZINC000130987223 196130145 /nfs/dbraw/zinc/13/01/45/196130145.db2.gz PVFOJELPDYGDPE-UHFFFAOYSA-N 1 1 313.357 3.163 20 5 DGBDMO COc1ccc(C[N@@H+](Cc2ccc([N+](=O)[O-])cc2)C2CC2)cn1 ZINC000130987223 196130146 /nfs/dbraw/zinc/13/01/46/196130146.db2.gz PVFOJELPDYGDPE-UHFFFAOYSA-N 1 1 313.357 3.163 20 5 DGBDMO CSCC[N@H+](C)[C@H](C)c1nnc(-c2ccc([N+](=O)[O-])cc2)o1 ZINC000151153818 432224702 /nfs/dbraw/zinc/22/47/02/432224702.db2.gz KMHYPFJWMOZHQB-SNVBAGLBSA-N 1 1 322.390 3.001 20 5 DGBDMO CSCC[N@@H+](C)[C@H](C)c1nnc(-c2ccc([N+](=O)[O-])cc2)o1 ZINC000151153818 432224704 /nfs/dbraw/zinc/22/47/04/432224704.db2.gz KMHYPFJWMOZHQB-SNVBAGLBSA-N 1 1 322.390 3.001 20 5 DGBDMO O=[N+]([O-])c1cccc(CN2CCC[N@H+](C3CCCC3)CC2)c1 ZINC000172585118 432222883 /nfs/dbraw/zinc/22/28/83/432222883.db2.gz ARLPIADGWOFTKK-UHFFFAOYSA-N 1 1 303.406 3.045 20 5 DGBDMO COc1ncccc1C[NH2+][C@@H](C)c1cccc([N+](=O)[O-])c1C ZINC000151151962 432223579 /nfs/dbraw/zinc/22/35/79/432223579.db2.gz RWPLRXXIHGAPKV-LBPRGKRZSA-N 1 1 301.346 3.158 20 5 DGBDMO CC[C@@H](O)C[N@@H+](Cc1ccccc1)Cc1cccc([N+](=O)[O-])c1 ZINC000134498403 196396722 /nfs/dbraw/zinc/39/67/22/196396722.db2.gz AQNAZTPZRNCCTB-GOSISDBHSA-N 1 1 314.385 3.368 20 5 DGBDMO C[C@@H]1CCCC[N@H+]1CCCCNc1ncc([N+](=O)[O-])cc1F ZINC000413058936 230122461 /nfs/dbraw/zinc/12/24/61/230122461.db2.gz IZUSXORVVSBHHH-GFCCVEGCSA-N 1 1 310.373 3.195 20 5 DGBDMO C[C@H](CNc1ncc([N+](=O)[O-])cc1F)[N@@H+](C)Cc1ccccc1 ZINC000413149303 230139956 /nfs/dbraw/zinc/13/99/56/230139956.db2.gz UOZZRDDDISIWFE-GFCCVEGCSA-N 1 1 318.352 3.061 20 5 DGBDMO COc1ccc(C[N@@H+]2CCC[C@@H]2c2cccnc2)cc1[N+](=O)[O-] ZINC000346983935 264133614 /nfs/dbraw/zinc/13/36/14/264133614.db2.gz NVRHXWZYYFWJAX-OAHLLOKOSA-N 1 1 313.357 3.336 20 5 DGBDMO COc1ccc(C[N@H+]2CCC[C@@H]2c2cccnc2)cc1[N+](=O)[O-] ZINC000346983935 264133616 /nfs/dbraw/zinc/13/36/16/264133616.db2.gz NVRHXWZYYFWJAX-OAHLLOKOSA-N 1 1 313.357 3.336 20 5 DGBDMO [NH3+]C[C@H]1CCCN(Cc2ccc(-c3ccccc3[N+](=O)[O-])o2)C1 ZINC000347060169 264149750 /nfs/dbraw/zinc/14/97/50/264149750.db2.gz XOBMCCMMDVEWNW-CYBMUJFWSA-N 1 1 315.373 3.026 20 5 DGBDMO C/C(=C/c1cccc([N+](=O)[O-])c1)C[N@H+]1CC[C@@]2(CCOC2)C1 ZINC000347331542 264197891 /nfs/dbraw/zinc/19/78/91/264197891.db2.gz FMYWHBFMJKXINZ-CRPZLVSXSA-N 1 1 302.374 3.111 20 5 DGBDMO O=[N+]([O-])c1cc(F)c(C[NH2+][C@@H]2CCC[C@@H]2OC(F)F)c(F)c1 ZINC000352375808 265024069 /nfs/dbraw/zinc/02/40/69/265024069.db2.gz FJFJKMNCNLGCJC-NEPJUHHUSA-N 1 1 322.258 3.123 20 5 DGBDMO CC[C@H]([NH2+]Cc1ccc(OC)c([N+](=O)[O-])c1)c1ccc(F)cn1 ZINC000352555335 265087119 /nfs/dbraw/zinc/08/71/19/265087119.db2.gz LUEPIWPDETYUMG-ZDUSSCGKSA-N 1 1 319.336 3.378 20 5 DGBDMO O=[N+]([O-])c1ccc2c(c1)C[N@@H+](CCCc1ccsc1)CCO2 ZINC000352709245 265137506 /nfs/dbraw/zinc/13/75/06/265137506.db2.gz ZNRGQXSRTVMWGJ-UHFFFAOYSA-N 1 1 318.398 3.484 20 5 DGBDMO O=[N+]([O-])c1ccc2c(c1)C[N@H+](CCCc1ccsc1)CCO2 ZINC000352709245 265137507 /nfs/dbraw/zinc/13/75/07/265137507.db2.gz ZNRGQXSRTVMWGJ-UHFFFAOYSA-N 1 1 318.398 3.484 20 5 DGBDMO CCOCCO[C@@H]1CC[N@H+]([C@H](C)c2cc([N+](=O)[O-])ccc2C)C1 ZINC000352771645 265159563 /nfs/dbraw/zinc/15/95/63/265159563.db2.gz ZMCLYUMNOXOCSN-GDBMZVCRSA-N 1 1 322.405 3.092 20 5 DGBDMO CCC[N@H+](CCN1CCCCC1)Cc1cccc([N+](=O)[O-])c1 ZINC000353140332 265314269 /nfs/dbraw/zinc/31/42/69/265314269.db2.gz BCDXIQYATSUBIC-UHFFFAOYSA-N 1 1 305.422 3.293 20 5 DGBDMO CCC[N@@H+](CCN1CCCCC1)Cc1cccc([N+](=O)[O-])c1 ZINC000353140332 265314274 /nfs/dbraw/zinc/31/42/74/265314274.db2.gz BCDXIQYATSUBIC-UHFFFAOYSA-N 1 1 305.422 3.293 20 5 DGBDMO COc1cccc(NC[C@@H](C)[N@H+]2CCC[C@H](C)C2)c1[N+](=O)[O-] ZINC000355333891 266041471 /nfs/dbraw/zinc/04/14/71/266041471.db2.gz RBBMHMGAQHRXHG-QWHCGFSZSA-N 1 1 307.394 3.136 20 5 DGBDMO CC(C)[C@@H](c1ccccc1)[N@H+](C)Cc1c([N+](=O)[O-])ncn1C ZINC000355344750 266045606 /nfs/dbraw/zinc/04/56/06/266045606.db2.gz QEJXQSULDJDVEN-HNNXBMFYSA-N 1 1 302.378 3.157 20 5 DGBDMO CC(C)[C@@H](c1ccccc1)[N@@H+](C)Cc1c([N+](=O)[O-])ncn1C ZINC000355344750 266045608 /nfs/dbraw/zinc/04/56/08/266045608.db2.gz QEJXQSULDJDVEN-HNNXBMFYSA-N 1 1 302.378 3.157 20 5 DGBDMO Cc1cccc(C[N@@H+](Cc2c([N+](=O)[O-])ncn2C)CC(C)C)c1 ZINC000355539722 266107731 /nfs/dbraw/zinc/10/77/31/266107731.db2.gz FCPJWYRZVPJSLO-UHFFFAOYSA-N 1 1 316.405 3.295 20 5 DGBDMO Cc1cccc(C[N@H+](Cc2c([N+](=O)[O-])ncn2C)CC(C)C)c1 ZINC000355539722 266107733 /nfs/dbraw/zinc/10/77/33/266107733.db2.gz FCPJWYRZVPJSLO-UHFFFAOYSA-N 1 1 316.405 3.295 20 5 DGBDMO Cn1cnc([N+](=O)[O-])c1C[N@H+](C)CCc1cccc2ccccc21 ZINC000355546853 266110334 /nfs/dbraw/zinc/11/03/34/266110334.db2.gz QHBRPLRITLGUAK-UHFFFAOYSA-N 1 1 324.384 3.156 20 5 DGBDMO Cn1cnc([N+](=O)[O-])c1C[N@@H+](C)CCc1cccc2ccccc21 ZINC000355546853 266110339 /nfs/dbraw/zinc/11/03/39/266110339.db2.gz QHBRPLRITLGUAK-UHFFFAOYSA-N 1 1 324.384 3.156 20 5 DGBDMO Cn1cnc([N+](=O)[O-])c1C[N@@H+](Cc1ccccc1)CC1CCC1 ZINC000355551428 266112875 /nfs/dbraw/zinc/11/28/75/266112875.db2.gz IFIIWGGOJCDQIO-UHFFFAOYSA-N 1 1 314.389 3.131 20 5 DGBDMO Cn1cnc([N+](=O)[O-])c1C[N@H+](Cc1ccccc1)CC1CCC1 ZINC000355551428 266112876 /nfs/dbraw/zinc/11/28/76/266112876.db2.gz IFIIWGGOJCDQIO-UHFFFAOYSA-N 1 1 314.389 3.131 20 5 DGBDMO O=[N+]([O-])c1cc2ccccc2nc1N[C@H]1CC[N@@H+](CC2CC2)C1 ZINC000616059422 425094110 /nfs/dbraw/zinc/09/41/10/425094110.db2.gz XXKYMCQULAZCSQ-AWEZNQCLSA-N 1 1 312.373 3.039 20 5 DGBDMO Cc1cc(NCC[N@H+](C)C2CC2)c(C(F)(F)F)cc1[N+](=O)[O-] ZINC000359867270 271002825 /nfs/dbraw/zinc/00/28/25/271002825.db2.gz CDPKYRADZYTRDK-UHFFFAOYSA-N 1 1 317.311 3.428 20 5 DGBDMO COC[C@H]1CCCC[N@@H+](Cc2c(Cl)cccc2[N+](=O)[O-])C1 ZINC000494634747 274051952 /nfs/dbraw/zinc/05/19/52/274051952.db2.gz IHHXELCZXNCZLW-LBPRGKRZSA-N 1 1 312.797 3.497 20 5 DGBDMO C[C@@H]1CC[C@H]([N@@H+](CCO)Cc2ccc(Cl)cc2[N+](=O)[O-])C1 ZINC000330812048 274317333 /nfs/dbraw/zinc/31/73/33/274317333.db2.gz AZHHIKYZQXLIKX-RISCZKNCSA-N 1 1 312.797 3.231 20 5 DGBDMO CC[N@H+]1CCC[C@@H]1CN(C)Cc1c(Cl)cccc1[N+](=O)[O-] ZINC000493103305 276169869 /nfs/dbraw/zinc/16/98/69/276169869.db2.gz FNHMEOVCWXBUKR-GFCCVEGCSA-N 1 1 311.813 3.164 20 5 DGBDMO CC[N@@H+]1CC[C@@H](CN[C@@H]2CCCCc3ccc([N+](=O)[O-])cc32)C1 ZINC000417331959 276212328 /nfs/dbraw/zinc/21/23/28/276212328.db2.gz WSFYCZAKVHKGCX-KBXCAEBGSA-N 1 1 317.433 3.294 20 5 DGBDMO CC[N@H+]1CC[C@@H](CN[C@@H]2CCCCc3ccc([N+](=O)[O-])cc32)C1 ZINC000417331959 276212330 /nfs/dbraw/zinc/21/23/30/276212330.db2.gz WSFYCZAKVHKGCX-KBXCAEBGSA-N 1 1 317.433 3.294 20 5 DGBDMO C[N@H+]1CCC[C@@H]2CN(c3c(Cl)cccc3[N+](=O)[O-])CC[C@@H]21 ZINC000432333666 277069799 /nfs/dbraw/zinc/06/97/99/277069799.db2.gz CWYYWZZKGMMLFE-YPMHNXCESA-N 1 1 309.797 3.169 20 5 DGBDMO C[C@@H]([NH2+][C@H]1CC(C)(C)c2ccc([N+](=O)[O-])cc21)c1ccn(C)n1 ZINC000414182448 278380995 /nfs/dbraw/zinc/38/09/95/278380995.db2.gz NGFBJGDHZIPDKU-BZNIZROVSA-N 1 1 314.389 3.402 20 5 DGBDMO C[C@@H]1C[C@H]([NH2+][C@@H]2CCCc3ccc([N+](=O)[O-])cc32)c2nccn21 ZINC000453349765 278993982 /nfs/dbraw/zinc/99/39/82/278993982.db2.gz LYEKKRKCLOOFDC-LYRGGWFBSA-N 1 1 312.373 3.464 20 5 DGBDMO CCN(CC)C[C@@H](C)[NH2+][C@@H]1CCCc2ccc([N+](=O)[O-])cc21 ZINC000447534886 279120123 /nfs/dbraw/zinc/12/01/23/279120123.db2.gz AQWJZQDFSMKWOF-CXAGYDPISA-N 1 1 305.422 3.292 20 5 DGBDMO COc1ccc([N+](=O)[O-])cc1C[N@@H+]1CCC[C@@H]1c1cccn1C ZINC000070755376 431259267 /nfs/dbraw/zinc/25/92/67/431259267.db2.gz YLSNEGGBWJXZIJ-MRXNPFEDSA-N 1 1 315.373 3.279 20 5 DGBDMO COc1ccc([N+](=O)[O-])cc1C[N@H+]1CCC[C@@H]1c1cccn1C ZINC000070755376 431259271 /nfs/dbraw/zinc/25/92/71/431259271.db2.gz YLSNEGGBWJXZIJ-MRXNPFEDSA-N 1 1 315.373 3.279 20 5 DGBDMO Cc1cc([N+](=O)[O-])ccc1NC(=O)C[N@H+](C(C)C)C1CCCC1 ZINC000072600841 431342699 /nfs/dbraw/zinc/34/26/99/431342699.db2.gz FBCXNAFOEOOZBX-UHFFFAOYSA-N 1 1 319.405 3.495 20 5 DGBDMO CC(C)CC[N@@H+](CC(=O)N(C)c1ccc([N+](=O)[O-])cc1)C1CC1 ZINC000074238035 431406942 /nfs/dbraw/zinc/40/69/42/431406942.db2.gz WDGMQFPKGZCYGZ-UHFFFAOYSA-N 1 1 319.405 3.068 20 5 DGBDMO C[C@@H]1CCC[C@H](C)[N@@H+]1Cc1nc(-c2cccc([N+](=O)[O-])c2)no1 ZINC000075020947 431452192 /nfs/dbraw/zinc/45/21/92/431452192.db2.gz DWUCSOCKMDBAMK-TXEJJXNPSA-N 1 1 316.361 3.408 20 5 DGBDMO CC(C)[C@@H]1CCCC[N@H+]1CC(=O)N(C)c1ccc([N+](=O)[O-])cc1 ZINC000117349777 431560868 /nfs/dbraw/zinc/56/08/68/431560868.db2.gz IOIVLCMORLSZBP-INIZCTEOSA-N 1 1 319.405 3.068 20 5 DGBDMO COc1ccc(C[N@@H+]2CCC[C@@H]2c2ccc[nH]2)cc1[N+](=O)[O-] ZINC000077171114 431571432 /nfs/dbraw/zinc/57/14/32/431571432.db2.gz AURFPAQBJPTMBY-CQSZACIVSA-N 1 1 301.346 3.269 20 5 DGBDMO COc1ccc(C[N@H+]2CCC[C@@H]2c2ccc[nH]2)cc1[N+](=O)[O-] ZINC000077171114 431571437 /nfs/dbraw/zinc/57/14/37/431571437.db2.gz AURFPAQBJPTMBY-CQSZACIVSA-N 1 1 301.346 3.269 20 5 DGBDMO C[N@@H+](CCC(=O)Nc1ccccc1)Cc1ccccc1[N+](=O)[O-] ZINC000026349238 431672589 /nfs/dbraw/zinc/67/25/89/431672589.db2.gz IFOXGRFWWBLHEL-UHFFFAOYSA-N 1 1 313.357 3.055 20 5 DGBDMO Cc1ccc([N+](=O)[O-])cc1NC(=O)C[N@@H+]1CC[C@H](CC(C)C)C1 ZINC000080748724 431775039 /nfs/dbraw/zinc/77/50/39/431775039.db2.gz MKHNTJNYISLDKU-CQSZACIVSA-N 1 1 319.405 3.210 20 5 DGBDMO CC[N@@H+](CCNc1ccc([N+](=O)[O-])c(OC(F)F)c1)C1CC1 ZINC000080977417 431780614 /nfs/dbraw/zinc/78/06/14/431780614.db2.gz SSUKUSKUAPJDEZ-UHFFFAOYSA-N 1 1 315.320 3.092 20 5 DGBDMO C[C@@H]([NH2+]Cc1nnc(-c2ccc([N+](=O)[O-])cc2)o1)c1ccccc1 ZINC000123100652 431854760 /nfs/dbraw/zinc/85/47/60/431854760.db2.gz QKOIPBPTPGXNOZ-GFCCVEGCSA-N 1 1 324.340 3.496 20 5 DGBDMO Cc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@H+]1CCC2(CCC2)C1 ZINC000123237271 431859314 /nfs/dbraw/zinc/85/93/14/431859314.db2.gz YDZPRWJWINJGGO-UHFFFAOYSA-N 1 1 317.389 3.108 20 5 DGBDMO C[C@H](O)C[C@@H]1CCCC[N@H+]1Cc1ccc(Cl)cc1[N+](=O)[O-] ZINC000123763587 431874293 /nfs/dbraw/zinc/87/42/93/431874293.db2.gz HQVSWFSBXUTKHH-FZMZJTMJSA-N 1 1 312.797 3.374 20 5 DGBDMO C[C@@H]1[C@@H](C)CC[N@H+]1Cc1coc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000089908088 431884588 /nfs/dbraw/zinc/88/45/88/431884588.db2.gz YHSDTKYOJNHRLS-NWDGAFQWSA-N 1 1 301.346 3.480 20 5 DGBDMO CN(C)c1cccc(C[N@H+](C)Cc2ccc([N+](=O)[O-])cc2F)c1 ZINC000089922443 431885394 /nfs/dbraw/zinc/88/53/94/431885394.db2.gz SDQITXGTWGGXFE-UHFFFAOYSA-N 1 1 317.364 3.432 20 5 DGBDMO CN(C)c1cccc(C[N@@H+](C)Cc2ccc([N+](=O)[O-])cc2F)c1 ZINC000089922443 431885397 /nfs/dbraw/zinc/88/53/97/431885397.db2.gz SDQITXGTWGGXFE-UHFFFAOYSA-N 1 1 317.364 3.432 20 5 DGBDMO C[N@@H+](Cc1coc(-c2ccc([N+](=O)[O-])cc2)n1)[C@@H]1CCSC1 ZINC000089935686 431886176 /nfs/dbraw/zinc/88/61/76/431886176.db2.gz SLEPKBJYJNSHLT-CQSZACIVSA-N 1 1 319.386 3.187 20 5 DGBDMO CC(C)C[N@@H+](Cc1nc(-c2cccc([N+](=O)[O-])c2)no1)C1CC1 ZINC000046512270 431898012 /nfs/dbraw/zinc/89/80/12/431898012.db2.gz XLZWAFRZHGTXNY-UHFFFAOYSA-N 1 1 316.361 3.265 20 5 DGBDMO CC[C@H]1CCCC[N@H+]1Cc1nc(-c2ccc([N+](=O)[O-])cc2)no1 ZINC000051124674 431950062 /nfs/dbraw/zinc/95/00/62/431950062.db2.gz YBSSASZVQUPOQZ-ZDUSSCGKSA-N 1 1 316.361 3.409 20 5 DGBDMO Cc1ccc([N+](=O)[O-])cc1[C@H](C)N[C@H](C)C[NH+]1CCCCC1 ZINC000151863039 432283950 /nfs/dbraw/zinc/28/39/50/432283950.db2.gz NVRIYCFEOGXOGW-CABCVRRESA-N 1 1 305.422 3.428 20 5 DGBDMO COc1ccc(C[N@@H+](C)C[C@H](C)c2nccs2)cc1[N+](=O)[O-] ZINC000183921396 432335150 /nfs/dbraw/zinc/33/51/50/432335150.db2.gz OVPYLWYDJVVZRT-NSHDSACASA-N 1 1 321.402 3.295 20 5 DGBDMO C[C@H]1CC[N@@H+](CCCOc2ccc([N+](=O)[O-])cc2)CCS1 ZINC000192169498 432340570 /nfs/dbraw/zinc/34/05/70/432340570.db2.gz AILPEYPVRDOIEU-ZDUSSCGKSA-N 1 1 310.419 3.191 20 5 DGBDMO C[C@H]1CC[N@H+](Cc2nc3cc([N+](=O)[O-])ccc3o2)CCS1 ZINC000192184755 432343016 /nfs/dbraw/zinc/34/30/16/432343016.db2.gz KOYXRXGIBISQRI-JTQLQIEISA-N 1 1 307.375 3.063 20 5 DGBDMO C[C@H]1CC[N@@H+](Cc2nc3cc([N+](=O)[O-])ccc3o2)CCS1 ZINC000192184755 432343019 /nfs/dbraw/zinc/34/30/19/432343019.db2.gz KOYXRXGIBISQRI-JTQLQIEISA-N 1 1 307.375 3.063 20 5 DGBDMO COC[C@H]1CC[N@@H+](Cc2ccc(-c3ccccc3[N+](=O)[O-])o2)C1 ZINC000271166686 432343144 /nfs/dbraw/zinc/34/31/44/432343144.db2.gz HTWCKKBDDNVNKI-ZDUSSCGKSA-N 1 1 316.357 3.323 20 5 DGBDMO O=[N+]([O-])c1cnn(CC[N@H+](Cc2ccccc2)CC2CCC2)c1 ZINC000174833412 432372968 /nfs/dbraw/zinc/37/29/68/432372968.db2.gz LJKDCJRXPZHLCX-UHFFFAOYSA-N 1 1 314.389 3.094 20 5 DGBDMO Cc1cccc([C@H]2CCC[N@H+]2CCn2cc([N+](=O)[O-])cn2)c1C ZINC000174873332 432374797 /nfs/dbraw/zinc/37/47/97/432374797.db2.gz CCGHBUZQLBDZIE-QGZVFWFLSA-N 1 1 314.389 3.245 20 5 DGBDMO O=[N+]([O-])c1cnn(CC[N@@H+](Cc2ccoc2)C2CCCCC2)c1 ZINC000174874145 432375487 /nfs/dbraw/zinc/37/54/87/432375487.db2.gz STVOSBUSIUVQEG-UHFFFAOYSA-N 1 1 318.377 3.219 20 5 DGBDMO C[C@@H]1C[C@@H](Nc2ncc([N+](=O)[O-])s2)C[N@H+]1Cc1ccccc1 ZINC000192486465 432380601 /nfs/dbraw/zinc/38/06/01/432380601.db2.gz JWHPETSYUBTYNA-DGCLKSJQSA-N 1 1 318.402 3.126 20 5 DGBDMO C[C@H](Nc1ncc([N+](=O)[O-])s1)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC000192525929 432383528 /nfs/dbraw/zinc/38/35/28/432383528.db2.gz CRQVOYWZNGTJOG-WDEREUQCSA-N 1 1 310.423 3.116 20 5 DGBDMO NC(=O)N[C@@H]1CC[N@@H+](Cc2c3ccccc3cc3ccccc32)C1 ZINC000271407453 432389164 /nfs/dbraw/zinc/38/91/64/432389164.db2.gz WZIRRVKLTUBSML-MRXNPFEDSA-N 1 1 319.408 3.236 20 5 DGBDMO O=[N+]([O-])c1cccc(C[N@@H+](CCOCC(F)(F)F)C2CC2)c1 ZINC000153247769 432394899 /nfs/dbraw/zinc/39/48/99/432394899.db2.gz ISHSVMDYWZKWLK-UHFFFAOYSA-N 1 1 318.295 3.138 20 5 DGBDMO Cc1nn(C)c(C)c1C[N@H+](Cc1cccc([N+](=O)[O-])c1)C1CC1 ZINC000153256566 432395645 /nfs/dbraw/zinc/39/56/45/432395645.db2.gz JOZSRTQZYHIVJX-UHFFFAOYSA-N 1 1 314.389 3.110 20 5 DGBDMO Cc1nn(C)c(C)c1C[N@@H+](Cc1cccc([N+](=O)[O-])c1)C1CC1 ZINC000153256566 432395649 /nfs/dbraw/zinc/39/56/49/432395649.db2.gz JOZSRTQZYHIVJX-UHFFFAOYSA-N 1 1 314.389 3.110 20 5 DGBDMO CC[C@@H]1C[N@@H+](Cc2ccc(-c3ccccc3[N+](=O)[O-])o2)C[C@H]1O ZINC000271275984 432367207 /nfs/dbraw/zinc/36/72/07/432367207.db2.gz KUWVLCCKIDJMMN-MLGOLLRUSA-N 1 1 316.357 3.058 20 5 DGBDMO C[NH+](C)[C@@H]1CCC[C@@H](N[C@@H]2CCCc3ccc([N+](=O)[O-])cc32)C1 ZINC000192932828 432430726 /nfs/dbraw/zinc/43/07/26/432430726.db2.gz LFZVMUDPNBYCSS-IIDMSEBBSA-N 1 1 317.433 3.435 20 5 DGBDMO Cc1cc(N2CCC([C@H](C)[NH3+])CC2)c2cc([N+](=O)[O-])ccc2n1 ZINC000261649162 432439672 /nfs/dbraw/zinc/43/96/72/432439672.db2.gz FPDPBONJQWUIMT-LBPRGKRZSA-N 1 1 314.389 3.015 20 5 DGBDMO O=[N+]([O-])c1ccc(C[N@@H+](CCO[C@@H]2CCCCO2)C2CC2)cc1 ZINC000193080420 432446755 /nfs/dbraw/zinc/44/67/55/432446755.db2.gz CRCAUJLTJBSKJW-QGZVFWFLSA-N 1 1 320.389 3.102 20 5 DGBDMO CC(C)C[N@H+]1CC[C@@H](CNc2ncc(Cl)cc2[N+](=O)[O-])C1 ZINC000153945484 432457635 /nfs/dbraw/zinc/45/76/35/432457635.db2.gz SOUSYTBQIWGLGS-NSHDSACASA-N 1 1 312.801 3.033 20 5 DGBDMO CC[C@@H]([NH2+][C@H]1CCCc2c[nH]nc21)c1cccc([N+](=O)[O-])c1 ZINC000271495400 432408532 /nfs/dbraw/zinc/40/85/32/432408532.db2.gz LBVZDKSKRNOZFD-CABCVRRESA-N 1 1 300.362 3.436 20 5 DGBDMO COC[C@@H]([NH2+]C/C=C\c1ccccc1[N+](=O)[O-])c1ccco1 ZINC000255516682 432411570 /nfs/dbraw/zinc/41/15/70/432411570.db2.gz RSVLFVFXGQZLAB-HJHHMULASA-N 1 1 302.330 3.178 20 5 DGBDMO CC[N@@H+](C)Cc1cccc(CNc2cc(N)ccc2[N+](=O)[O-])c1 ZINC000192782850 432413568 /nfs/dbraw/zinc/41/35/68/432413568.db2.gz CWSQSXXOXDGHMF-UHFFFAOYSA-N 1 1 314.389 3.241 20 5 DGBDMO CC[C@@H](C)[N@@H+](C)CCN[C@@H]1CCCc2ccc([N+](=O)[O-])cc21 ZINC000192808006 432416942 /nfs/dbraw/zinc/41/69/42/432416942.db2.gz LLPBYZMGILTPLL-CXAGYDPISA-N 1 1 305.422 3.292 20 5 DGBDMO CC[C@@H](C)N(C)CC[NH2+][C@@H]1CCCc2ccc([N+](=O)[O-])cc21 ZINC000192808006 432416947 /nfs/dbraw/zinc/41/69/47/432416947.db2.gz LLPBYZMGILTPLL-CXAGYDPISA-N 1 1 305.422 3.292 20 5 DGBDMO COCC[C@H]([NH2+]Cc1csc([N+](=O)[O-])c1)c1ccc(C)o1 ZINC000272326634 432482344 /nfs/dbraw/zinc/48/23/44/432482344.db2.gz RERNUSSMPBHLOJ-LBPRGKRZSA-N 1 1 310.375 3.425 20 5 DGBDMO COc1cccc2c1CC[N@@H+](Cc1csc([N+](=O)[O-])c1)CC2 ZINC000193722003 432493479 /nfs/dbraw/zinc/49/34/79/432493479.db2.gz IWDASMQGLGCVKM-UHFFFAOYSA-N 1 1 318.398 3.266 20 5 DGBDMO O=[N+]([O-])c1ccn(CC[N@H+]2CCC[C@@H]2c2ccccc2Cl)n1 ZINC000176213025 432501502 /nfs/dbraw/zinc/50/15/02/432501502.db2.gz SFTSJKIQPRIUSQ-CQSZACIVSA-N 1 1 320.780 3.282 20 5 DGBDMO C[C@H]1C[C@H](c2ccccc2F)[N@@H+](CCn2ccc([N+](=O)[O-])n2)C1 ZINC000176270125 432506138 /nfs/dbraw/zinc/50/61/38/432506138.db2.gz VBINIWFCHKRQBF-SWLSCSKDSA-N 1 1 318.352 3.014 20 5 DGBDMO Cc1ccc([C@@H]2C[C@H](C)CC[N@H+]2CCn2ccc([N+](=O)[O-])n2)o1 ZINC000176286458 432507866 /nfs/dbraw/zinc/50/78/66/432507866.db2.gz QJZPFBJZPYNYED-OCCSQVGLSA-N 1 1 318.377 3.166 20 5 DGBDMO CCC1(C[NH2+][C@H](c2nccn2C)c2ccc([N+](=O)[O-])cc2)CC1 ZINC000272575287 432526060 /nfs/dbraw/zinc/52/60/60/432526060.db2.gz XAFJWWACWLHCBF-HNNXBMFYSA-N 1 1 314.389 3.198 20 5 DGBDMO COc1ccc(C[N@H+](C)[C@@H](C)c2ccccn2)cc1[N+](=O)[O-] ZINC000177101488 432586874 /nfs/dbraw/zinc/58/68/74/432586874.db2.gz QJZNNTUDSJEYKT-LBPRGKRZSA-N 1 1 301.346 3.191 20 5 DGBDMO COc1ccc(C[N@@H+](C)[C@@H](C)c2ccccn2)cc1[N+](=O)[O-] ZINC000177101488 432586879 /nfs/dbraw/zinc/58/68/79/432586879.db2.gz QJZNNTUDSJEYKT-LBPRGKRZSA-N 1 1 301.346 3.191 20 5 DGBDMO O=[N+]([O-])c1ccc(N2CCC[C@H](c3[nH]cc[nH+]3)C2)c(Cl)c1 ZINC000263926901 432593352 /nfs/dbraw/zinc/59/33/52/432593352.db2.gz ZQAHPOFUOQMLHF-JTQLQIEISA-N 1 1 306.753 3.355 20 5 DGBDMO O=[N+]([O-])c1ccc(CNc2cc[nH+]cc2Br)cc1 ZINC000159001128 432665888 /nfs/dbraw/zinc/66/58/88/432665888.db2.gz NJMFXJLNRGFCMT-UHFFFAOYSA-N 1 1 308.135 3.364 20 5 DGBDMO CC[C@H](C)C[N@@H+](CC)CC(=O)Nc1ccc([N+](=O)[O-])cc1C ZINC000177859019 432668076 /nfs/dbraw/zinc/66/80/76/432668076.db2.gz BRWVHHNADHSZTP-LBPRGKRZSA-N 1 1 307.394 3.210 20 5 DGBDMO CCOc1ccc([C@H](C)NCC2([NH+](C)C)CCC2)cc1[N+](=O)[O-] ZINC000275789282 432748778 /nfs/dbraw/zinc/74/87/78/432748778.db2.gz WWTKGZUMZXGSMY-ZDUSSCGKSA-N 1 1 321.421 3.128 20 5 DGBDMO C[C@@H]1CCC[C@@](C[NH2+]Cc2cccc([N+](=O)[O-])c2)(N(C)C)C1 ZINC000237598577 432794016 /nfs/dbraw/zinc/79/40/16/432794016.db2.gz ZRVDTSJSJGIGSQ-RHSMWYFYSA-N 1 1 305.422 3.195 20 5 DGBDMO Cc1cc[nH+]c(N2CCC(Oc3ccc([N+](=O)[O-])cc3)CC2)c1 ZINC000161744575 432795217 /nfs/dbraw/zinc/79/52/17/432795217.db2.gz ROFDPFQBTYQHBR-UHFFFAOYSA-N 1 1 313.357 3.346 20 5 DGBDMO Cc1cnn([C@H]2CCC[N@H+](Cc3ccc([N+](=O)[O-])cc3F)C2)c1 ZINC000267007455 432805926 /nfs/dbraw/zinc/80/59/26/432805926.db2.gz GHTCZCOGZDCIQY-HNNXBMFYSA-N 1 1 318.352 3.076 20 5 DGBDMO Cc1cnn([C@H]2CCC[N@@H+](Cc3ccc([N+](=O)[O-])cc3F)C2)c1 ZINC000267007455 432805930 /nfs/dbraw/zinc/80/59/30/432805930.db2.gz GHTCZCOGZDCIQY-HNNXBMFYSA-N 1 1 318.352 3.076 20 5 DGBDMO O=[N+]([O-])c1cccc(C[N@@H+]2CCC[C@@H]2C[C@H](O)c2ccco2)c1 ZINC000268268898 432860037 /nfs/dbraw/zinc/86/00/37/432860037.db2.gz MNVJLUNIBFLBFD-ZBFHGGJFSA-N 1 1 316.357 3.276 20 5 DGBDMO Cc1ccc([N+](=O)[O-])cc1[C@@H](C)N(C)C[C@H]1CCC[N@@H+](C)C1 ZINC000245531606 432840041 /nfs/dbraw/zinc/84/00/41/432840041.db2.gz TZKFFRQCUOWQMY-CABCVRRESA-N 1 1 305.422 3.238 20 5 DGBDMO Cc1ccc([N+](=O)[O-])cc1[C@@H](C)[N@H+](C)C[C@H]1CCCN(C)C1 ZINC000245531606 432840048 /nfs/dbraw/zinc/84/00/48/432840048.db2.gz TZKFFRQCUOWQMY-CABCVRRESA-N 1 1 305.422 3.238 20 5 DGBDMO Cc1ccc([N+](=O)[O-])cc1[C@@H](C)[N@@H+](C)C[C@H]1CCCN(C)C1 ZINC000245531606 432840049 /nfs/dbraw/zinc/84/00/49/432840049.db2.gz TZKFFRQCUOWQMY-CABCVRRESA-N 1 1 305.422 3.238 20 5 DGBDMO Cc1ccc([N+](=O)[O-])cc1[C@H](C)[N@H+]1CC[C@@H](c2cnn(C)c2)C1 ZINC000245535911 432840928 /nfs/dbraw/zinc/84/09/28/432840928.db2.gz WVSUUZPVYSVWNO-UONOGXRCSA-N 1 1 314.389 3.187 20 5 DGBDMO CN(C)c1ccccc1C[N@H+](C)Cc1ccc([N+](=O)[O-])c(F)c1 ZINC000289153313 432927648 /nfs/dbraw/zinc/92/76/48/432927648.db2.gz ZUUHVZPPLYLHMO-UHFFFAOYSA-N 1 1 317.364 3.432 20 5 DGBDMO CN(C)c1ccccc1C[N@@H+](C)Cc1ccc([N+](=O)[O-])c(F)c1 ZINC000289153313 432927650 /nfs/dbraw/zinc/92/76/50/432927650.db2.gz ZUUHVZPPLYLHMO-UHFFFAOYSA-N 1 1 317.364 3.432 20 5 DGBDMO O=[N+]([O-])c1cc(C[N@H+]2CCC[C@@H](C3CC3)C2)c2c(c1)COCO2 ZINC000289163369 432928522 /nfs/dbraw/zinc/92/85/22/432928522.db2.gz DTBPYDODMHMQTD-CYBMUJFWSA-N 1 1 318.373 3.083 20 5 DGBDMO C[NH+]1CCC(N[C@@H]2CC(C)(C)c3ccc([N+](=O)[O-])cc32)CC1 ZINC000279044321 432929547 /nfs/dbraw/zinc/92/95/47/432929547.db2.gz JOJJUCOEBRZIEJ-MRXNPFEDSA-N 1 1 303.406 3.001 20 5 DGBDMO CCOc1cc(C[N@H+]2CCS[C@H](C)[C@H]2C)ccc1[N+](=O)[O-] ZINC000331170457 432933388 /nfs/dbraw/zinc/93/33/88/432933388.db2.gz NZFHRXJYHSBVAY-VXGBXAGGSA-N 1 1 310.419 3.319 20 5 DGBDMO C[C@@H](c1ccccc1[N+](=O)[O-])[N@H+]1CC[C@H](C2CCOCC2)C1 ZINC000330434453 432909561 /nfs/dbraw/zinc/90/95/61/432909561.db2.gz AJNXFIOPNFTRRG-ZFWWWQNUSA-N 1 1 304.390 3.404 20 5 DGBDMO C[C@@H](C(=O)Nc1ccccc1[N+](=O)[O-])[NH+]1CCC(C)(C)CC1 ZINC000330461303 432911942 /nfs/dbraw/zinc/91/19/42/432911942.db2.gz RYHPBFYSNGSGKB-LBPRGKRZSA-N 1 1 305.378 3.044 20 5 DGBDMO CC1CCC(O)(C[N@@H+](C)CCc2ccccc2[N+](=O)[O-])CC1 ZINC000330613137 432920267 /nfs/dbraw/zinc/92/02/67/432920267.db2.gz RTKDAUCSEXDMSV-UHFFFAOYSA-N 1 1 306.406 3.010 20 5 DGBDMO COCCC[N@@H+](C)Cc1cc(Cl)cc(Cl)c1[N+](=O)[O-] ZINC000289759707 432975545 /nfs/dbraw/zinc/97/55/45/432975545.db2.gz JNZQOKPFUDQLKW-UHFFFAOYSA-N 1 1 307.177 3.370 20 5 DGBDMO CCC[N@@H+](CCO)Cc1cc(Cl)cc(Cl)c1[N+](=O)[O-] ZINC000290063700 432986616 /nfs/dbraw/zinc/98/66/16/432986616.db2.gz STYCJNVHJIDZJM-UHFFFAOYSA-N 1 1 307.177 3.106 20 5 DGBDMO O=[N+]([O-])c1cnc2c(c1)C[N@H+](CCCCC(F)(F)F)CC2 ZINC000332678555 433011639 /nfs/dbraw/zinc/01/16/39/433011639.db2.gz HEQAVDOMFGXFCG-UHFFFAOYSA-N 1 1 303.284 3.081 20 5 DGBDMO COc1ccc([C@H](C)[NH2+]Cc2ccccc2[N+](=O)[O-])cc1O ZINC000290587194 433107003 /nfs/dbraw/zinc/10/70/03/433107003.db2.gz GHGHFKNUMFQCFR-NSHDSACASA-N 1 1 302.330 3.160 20 5 DGBDMO C[C@@H]1CCCC[N@H+]1Cc1nnc(-c2ccc([N+](=O)[O-])cc2)o1 ZINC000298665231 433209017 /nfs/dbraw/zinc/20/90/17/433209017.db2.gz LRRWCNIWPXTDAK-LLVKDONJSA-N 1 1 302.334 3.019 20 5 DGBDMO O=[N+]([O-])c1cc(Cl)ccc1CN1CCC[C@@H]([C@@H]2CC[NH2+]C2)C1 ZINC000420322429 433164209 /nfs/dbraw/zinc/16/42/09/433164209.db2.gz FCYVHTWCIBPEDQ-CHWSQXEVSA-N 1 1 323.824 3.070 20 5 DGBDMO CC1=C(C)C[N@H+](Cc2nc(-c3cccc([N+](=O)[O-])c3)no2)CC1 ZINC000280776265 433168000 /nfs/dbraw/zinc/16/80/00/433168000.db2.gz PPGKHAADWWPCLA-UHFFFAOYSA-N 1 1 314.345 3.187 20 5 DGBDMO CC1=C(C)C[N@@H+](Cc2nc(-c3cccc([N+](=O)[O-])c3)no2)CC1 ZINC000280776265 433168009 /nfs/dbraw/zinc/16/80/09/433168009.db2.gz PPGKHAADWWPCLA-UHFFFAOYSA-N 1 1 314.345 3.187 20 5 DGBDMO CC[N@@H+](CCC(=O)Nc1cc([N+](=O)[O-])ccc1C)CC1CCC1 ZINC000361485479 433200337 /nfs/dbraw/zinc/20/03/37/433200337.db2.gz NWNOBFIZCJNVJR-UHFFFAOYSA-N 1 1 319.405 3.354 20 5 DGBDMO CC(C)[N@@H+](C)CCCN[C@@H]1CCCc2ccc([N+](=O)[O-])cc21 ZINC000447536913 433217676 /nfs/dbraw/zinc/21/76/76/433217676.db2.gz RDOBNCHAJDAKTR-QGZVFWFLSA-N 1 1 305.422 3.292 20 5 DGBDMO CC[N@H+](Cc1cc([N+](=O)[O-])ccc1OC(C)C)C[C@@H](C)OC ZINC000361565247 433247849 /nfs/dbraw/zinc/24/78/49/433247849.db2.gz OQMHISUJWNSMDR-CYBMUJFWSA-N 1 1 310.394 3.239 20 5 DGBDMO C[C@H]1[C@H](Nc2ccc([N+](=O)[O-])c3ncccc23)CCC[N@H+]1C ZINC000413232634 433266629 /nfs/dbraw/zinc/26/66/29/433266629.db2.gz CMMQCLXXZSYKHS-WCQYABFASA-N 1 1 300.362 3.038 20 5 DGBDMO COCC[N@@H+](Cc1ccc(OC)c([N+](=O)[O-])c1)[C@@H]1CC[C@@H](C)C1 ZINC000361645400 433309252 /nfs/dbraw/zinc/30/92/52/433309252.db2.gz RRCSASNDEMGDIR-UKRRQHHQSA-N 1 1 322.405 3.240 20 5 DGBDMO C[C@@H]([NH2+][C@H](C)c1cccc([N+](=O)[O-])c1)c1cc2n(n1)CCC2 ZINC000414071860 433375805 /nfs/dbraw/zinc/37/58/05/433375805.db2.gz MAMGTMROBQLBOF-VXGBXAGGSA-N 1 1 300.362 3.149 20 5 DGBDMO CC(C)Cn1cc(C[NH2+]C(C)(C)c2ccccc2[N+](=O)[O-])cn1 ZINC000291731666 433329867 /nfs/dbraw/zinc/32/98/67/433329867.db2.gz NUMCMNYXDIZFIX-UHFFFAOYSA-N 1 1 316.405 3.472 20 5 DGBDMO CC(C)[C@H]1[N@@H+](C[C@@H](O)c2cccc([N+](=O)[O-])c2)CC12CCC2 ZINC000291887340 433383547 /nfs/dbraw/zinc/38/35/47/433383547.db2.gz JFCLXBDLMQPYPM-HZPDHXFCSA-N 1 1 304.390 3.139 20 5 DGBDMO O=[N+]([O-])c1cccc(Cl)c1C[N@@H+]1CCC[C@H](CCO)CC1 ZINC000421011834 433384720 /nfs/dbraw/zinc/38/47/20/433384720.db2.gz HNBWKRSPRLDEJJ-LBPRGKRZSA-N 1 1 312.797 3.233 20 5 DGBDMO C[C@H]1[C@H](CO)CC[N@H+]1Cc1ccc(-c2ccccc2[N+](=O)[O-])o1 ZINC000425958222 433385162 /nfs/dbraw/zinc/38/51/62/433385162.db2.gz FJAZVZKYQDBFAF-STQMWFEESA-N 1 1 316.357 3.058 20 5 DGBDMO Cc1cc(N(C)Cc2cc([N+](=O)[O-])ccc2Cl)nc(C)[nH+]1 ZINC000301068475 433401920 /nfs/dbraw/zinc/40/19/20/433401920.db2.gz JOCNSPWGNVQREA-UHFFFAOYSA-N 1 1 306.753 3.291 20 5 DGBDMO Cc1ccc([N+](=O)[O-])cc1[C@@H](C)[N@H+]1CC[C@H](n2cccn2)C1 ZINC000292001287 433424549 /nfs/dbraw/zinc/42/45/49/433424549.db2.gz XKEXKNIZADJLLC-HIFRSBDPSA-N 1 1 300.362 3.108 20 5 DGBDMO CC[N@@H+](CCC1CC1)[C@H](C)C(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000355062157 433444020 /nfs/dbraw/zinc/44/40/20/433444020.db2.gz PUNYFDWKWZPMRH-GFCCVEGCSA-N 1 1 305.378 3.044 20 5 DGBDMO C[C@H]1CC[N@@H+](Cc2cc([N+](=O)[O-])ccc2OC(F)F)[C@H]1C ZINC000355106409 433462363 /nfs/dbraw/zinc/46/23/63/433462363.db2.gz MZYTXFBQBBZEEP-UWVGGRQHSA-N 1 1 300.305 3.427 20 5 DGBDMO Cc1ccc([N+](=O)[O-])cc1[C@@H](C)[NH2+]Cc1cn2ccccc2n1 ZINC000159420855 292792594 /nfs/dbraw/zinc/79/25/94/292792594.db2.gz GULAQMAPFFQZAO-CYBMUJFWSA-N 1 1 310.357 3.402 20 5 DGBDMO C[C@H](c1ccccc1[N+](=O)[O-])[N@H+]1CC[C@@H](C2CCOCC2)C1 ZINC000330434452 290266972 /nfs/dbraw/zinc/26/69/72/290266972.db2.gz AJNXFIOPNFTRRG-UKRRQHHQSA-N 1 1 304.390 3.404 20 5 DGBDMO C[C@@H](NC(=O)CC[N@H+]1CCCC[C@H]1C)c1cccc([N+](=O)[O-])c1 ZINC000339264070 433478128 /nfs/dbraw/zinc/47/81/28/433478128.db2.gz JSYUMKPOGLLVGZ-ZIAGYGMSSA-N 1 1 319.405 3.037 20 5 DGBDMO CC(=O)c1cc(NCCNc2cccc(C)[nH+]2)ccc1[N+](=O)[O-] ZINC000342124185 433484063 /nfs/dbraw/zinc/48/40/63/433484063.db2.gz HNENALQFAZYBDX-UHFFFAOYSA-N 1 1 314.345 3.025 20 5 DGBDMO CCO[C@H]1C[C@H]([N@@H+](C)Cc2ccc([N+](=O)[O-])cc2)C12CCC2 ZINC000355191257 433522285 /nfs/dbraw/zinc/52/22/85/433522285.db2.gz ZJYKSASICIYHBI-HOTGVXAUSA-N 1 1 304.390 3.374 20 5 DGBDMO CC[C@H]1CCCC[N@H+]1CCNc1ccc([N+](=O)[O-])c(OC)c1 ZINC000301403914 433536715 /nfs/dbraw/zinc/53/67/15/433536715.db2.gz SGZYEBMLCSJRBK-AWEZNQCLSA-N 1 1 307.394 3.280 20 5 DGBDMO COc1cc(C[N@H+]2CCCC3(CCC3)C2)c([N+](=O)[O-])cc1OC ZINC000355206402 433538668 /nfs/dbraw/zinc/53/86/68/433538668.db2.gz WBIGYOFPPIFJGU-UHFFFAOYSA-N 1 1 320.389 3.378 20 5 DGBDMO O=C(C[N@@H+]1CC[C@@H]2CCC[C@H]21)Nc1ccc([N+](=O)[O-])cc1Cl ZINC000426473112 433508701 /nfs/dbraw/zinc/50/87/01/433508701.db2.gz QMAZJXVCIBAGBP-IINYFYTJSA-N 1 1 323.780 3.061 20 5 DGBDMO O=C(C[N@H+]1CC[C@@H]2CCC[C@H]21)Nc1ccc([N+](=O)[O-])cc1Cl ZINC000426473112 433508710 /nfs/dbraw/zinc/50/87/10/433508710.db2.gz QMAZJXVCIBAGBP-IINYFYTJSA-N 1 1 323.780 3.061 20 5 DGBDMO C/C(=C/c1cccc([N+](=O)[O-])c1)C[N@H+]1CCC[C@@H](CCO)CC1 ZINC000421401161 433548613 /nfs/dbraw/zinc/54/86/13/433548613.db2.gz SZJKALNLPZTISE-RTYFKUQISA-N 1 1 318.417 3.483 20 5 DGBDMO COCC[N@@H+](CCOc1ccccc1[N+](=O)[O-])[C@H]1CC[C@@H](C)C1 ZINC000362158941 433553187 /nfs/dbraw/zinc/55/31/87/433553187.db2.gz AZAUOMFQTGZQJM-CABCVRRESA-N 1 1 322.405 3.111 20 5 DGBDMO COCC[N@@H+](CCc1ccccc1)Cc1cccc([N+](=O)[O-])c1 ZINC000351566502 433577562 /nfs/dbraw/zinc/57/75/62/433577562.db2.gz DHMSPEIDNLZDEG-UHFFFAOYSA-N 1 1 314.385 3.286 20 5 DGBDMO Cc1ccc(N2CC[NH+](Cc3cccs3)CC2)c([N+](=O)[O-])c1 ZINC000301422440 433544809 /nfs/dbraw/zinc/54/48/09/433544809.db2.gz AAJHWSDBGCLQIG-UHFFFAOYSA-N 1 1 317.414 3.287 20 5 DGBDMO C[C@@H](c1ccccc1[N+](=O)[O-])[N@@H+](C)C[C@@H](O)Cc1ccccc1 ZINC000293145309 433633984 /nfs/dbraw/zinc/63/39/84/433633984.db2.gz BHQSRYRIEMKNLK-HOCLYGCPSA-N 1 1 314.385 3.191 20 5 DGBDMO Cc1sccc1C[N@H+]1CC[C@H](Nc2ccc([N+](=O)[O-])cn2)C1 ZINC000351641357 433634861 /nfs/dbraw/zinc/63/48/61/433634861.db2.gz NSAJRZHZHYHKML-ZDUSSCGKSA-N 1 1 318.402 3.046 20 5 DGBDMO C[C@H]1C[C@H](Nc2ccc([N+](=O)[O-])cn2)C[N@H+]1Cc1ccccc1 ZINC000301614659 433636807 /nfs/dbraw/zinc/63/68/07/433636807.db2.gz IHAMYHDKPYAKIM-ZFWWWQNUSA-N 1 1 312.373 3.065 20 5 DGBDMO C/C(=C\c1cccc([N+](=O)[O-])c1)C[N@H+]1CCCO[C@H](CF)C1 ZINC000414478884 433642685 /nfs/dbraw/zinc/64/26/85/433642685.db2.gz QEIDZXQWVOFHAB-WDBUWWRISA-N 1 1 308.353 3.059 20 5 DGBDMO COC[C@@H]([NH2+]Cc1cccc([N+](=O)[O-])c1)c1ccc(F)cc1 ZINC000342319954 433611711 /nfs/dbraw/zinc/61/17/11/433611711.db2.gz FWUKEMUSQFIGQE-MRXNPFEDSA-N 1 1 304.321 3.211 20 5 DGBDMO O=[N+]([O-])c1ccc(C[N@H+](Cc2cccnc2)C2CC2)cc1F ZINC000282652090 433623877 /nfs/dbraw/zinc/62/38/77/433623877.db2.gz CJXKFRAFIVHJIT-UHFFFAOYSA-N 1 1 301.321 3.294 20 5 DGBDMO O=[N+]([O-])c1ccc(C[N@@H+](Cc2cccnc2)C2CC2)cc1F ZINC000282652090 433623889 /nfs/dbraw/zinc/62/38/89/433623889.db2.gz CJXKFRAFIVHJIT-UHFFFAOYSA-N 1 1 301.321 3.294 20 5 DGBDMO Cc1cc([N+](=O)[O-])ccc1N1CCC[C@H](Cc2[nH+]ccn2C)C1 ZINC000301705336 433687881 /nfs/dbraw/zinc/68/78/81/433687881.db2.gz IBLNSVNOEKAGOA-CQSZACIVSA-N 1 1 314.389 3.096 20 5 DGBDMO Cc1cc(N2CCC[C@@H](Cc3[nH+]ccn3C)C2)ccc1[N+](=O)[O-] ZINC000301719871 433691169 /nfs/dbraw/zinc/69/11/69/433691169.db2.gz PLRPTWSMXOQRDS-AWEZNQCLSA-N 1 1 314.389 3.096 20 5 DGBDMO CCOc1cc(N(C)[C@@H]2CC[N@@H+](CC)[C@H](C)C2)ccc1[N+](=O)[O-] ZINC000356780296 433691293 /nfs/dbraw/zinc/69/12/93/433691293.db2.gz ALVRDGYOPOWAIN-UKRRQHHQSA-N 1 1 321.421 3.303 20 5 DGBDMO Cc1ccc(NCCCC[N@H+]2C[C@@H](C)O[C@@H](C)C2)c([N+](=O)[O-])c1 ZINC000301710824 433692113 /nfs/dbraw/zinc/69/21/13/433692113.db2.gz HSHAZGSWJPZICG-GASCZTMLSA-N 1 1 321.421 3.205 20 5 DGBDMO CC(C)c1ccc(C[N@H+]2CC[C@](O)(C3CC3)C2)cc1[N+](=O)[O-] ZINC000376045575 433650726 /nfs/dbraw/zinc/65/07/26/433650726.db2.gz WZVRLBQFOIUBBV-QGZVFWFLSA-N 1 1 304.390 3.065 20 5 DGBDMO Cc1ccc(N2CCC[C@@H](Cc3[nH+]ccn3C)C2)c([N+](=O)[O-])c1 ZINC000301721350 433694636 /nfs/dbraw/zinc/69/46/36/433694636.db2.gz QOEHHRSJDSBJPW-AWEZNQCLSA-N 1 1 314.389 3.096 20 5 DGBDMO C[C@@H]1[C@H](C)[N@@H+](C)CCN1c1ccc([N+](=O)[O-])c(C(F)(F)F)c1 ZINC000356790685 433700297 /nfs/dbraw/zinc/70/02/97/433700297.db2.gz HRALQHHASCJCDH-VHSXEESVSA-N 1 1 317.311 3.142 20 5 DGBDMO CO[C@@]1(C)C[C@H]([N@H+](C)Cc2c(F)cccc2[N+](=O)[O-])C1(C)C ZINC000362437219 433712406 /nfs/dbraw/zinc/71/24/06/433712406.db2.gz JGEWINPFSJZION-HOCLYGCPSA-N 1 1 310.369 3.369 20 5 DGBDMO CO[C@@]1(C)C[C@H]([N@@H+](C)Cc2c(F)cccc2[N+](=O)[O-])C1(C)C ZINC000362437219 433712412 /nfs/dbraw/zinc/71/24/12/433712412.db2.gz JGEWINPFSJZION-HOCLYGCPSA-N 1 1 310.369 3.369 20 5 DGBDMO Cn1cnc([N+](=O)[O-])c1C[N@H+]1CCC[C@H](c2ccccc2)CC1 ZINC000374048508 293346959 /nfs/dbraw/zinc/34/69/59/293346959.db2.gz HIZRFWOSXLFNNH-HNNXBMFYSA-N 1 1 314.389 3.098 20 5 DGBDMO C[C@H](C(=O)Nc1ccc([N+](=O)[O-])cc1)[N@H+]1CC[C@H](CC2CC2)C1 ZINC000339683112 433729800 /nfs/dbraw/zinc/72/98/00/433729800.db2.gz MKGQNTDABCFHQK-TZMCWYRMSA-N 1 1 317.389 3.044 20 5 DGBDMO C[C@H](Cc1ccccc1[N+](=O)[O-])[NH2+]CC1(CN(C)C)CCCC1 ZINC000449243821 433731613 /nfs/dbraw/zinc/73/16/13/433731613.db2.gz NQCYQEOEQXPFDO-OAHLLOKOSA-N 1 1 319.449 3.237 20 5 DGBDMO COC1CC[NH+](Cc2cc([N+](=O)[O-])ccc2C(F)(F)F)CC1 ZINC000293427743 433736354 /nfs/dbraw/zinc/73/63/54/433736354.db2.gz JCLUENCYTVYKOU-UHFFFAOYSA-N 1 1 318.295 3.224 20 5 DGBDMO CC(C)[N@H+]1CC[C@@H](N(C)C/C=C/c2ccccc2[N+](=O)[O-])C1 ZINC000449784966 433798213 /nfs/dbraw/zinc/79/82/13/433798213.db2.gz DCGQVBDZBGSCII-IQIBNGDESA-N 1 1 303.406 3.023 20 5 DGBDMO CC[N@@H+](Cc1ccc([N+](=O)[O-])cc1OC)[C@H]1CCOC(C)(C)C1 ZINC000351935324 433803582 /nfs/dbraw/zinc/80/35/82/433803582.db2.gz JGBJIKDTWRVVMF-HNNXBMFYSA-N 1 1 322.405 3.383 20 5 DGBDMO C/C(=C/c1cccc([N+](=O)[O-])c1)C[N@H+]1CC[C@@H](CCCO)C1 ZINC000449792014 433806011 /nfs/dbraw/zinc/80/60/11/433806011.db2.gz RBCYRZFZJIPEGT-BAAYTWLHSA-N 1 1 304.390 3.093 20 5 DGBDMO Cc1cccc(N2CC[C@@H]3[C@@H](CCC[N@H+]3C3CC3)C2)c1[N+](=O)[O-] ZINC000302493851 433823008 /nfs/dbraw/zinc/82/30/08/433823008.db2.gz LEDLAOUAHZYUPB-GOEBONIOSA-N 1 1 315.417 3.356 20 5 DGBDMO CCCC[N@@H+](C)CCNc1ccnc2c1cccc2[N+](=O)[O-] ZINC000432341128 433825683 /nfs/dbraw/zinc/82/56/83/433825683.db2.gz UAJULVVWRPOFHQ-UHFFFAOYSA-N 1 1 302.378 3.287 20 5 DGBDMO C[C@H]1Oc2cc(F)ccc2[C@@H]1[NH2+]Cc1cccc([N+](=O)[O-])c1 ZINC000377384022 433864647 /nfs/dbraw/zinc/86/46/47/433864647.db2.gz UDJIUMWSPBIDNN-QLJPJBMISA-N 1 1 302.305 3.346 20 5 DGBDMO CC[N@H+]1C[C@H](C)N(c2ccc3cc([N+](=O)[O-])ccc3n2)C[C@H]1C ZINC000345189564 433902395 /nfs/dbraw/zinc/90/23/95/433902395.db2.gz KNGSRDWXCIRLGY-OLZOCXBDSA-N 1 1 314.389 3.062 20 5 DGBDMO CC[N@H+]1C[C@H](C)N(c2ccc([N+](=O)[O-])c3cnccc32)C[C@H]1C ZINC000345173131 433902444 /nfs/dbraw/zinc/90/24/44/433902444.db2.gz MJSVPYVKCRDPQL-OLZOCXBDSA-N 1 1 314.389 3.062 20 5 DGBDMO CCOCC[N@@H+](C)Cc1cc([N+](=O)[O-])ccc1C(F)(F)F ZINC000293879097 433906083 /nfs/dbraw/zinc/90/60/83/433906083.db2.gz TXLHUMCXSHDKAU-UHFFFAOYSA-N 1 1 306.284 3.082 20 5 DGBDMO [NH3+][C@@H]1CCC[C@H](NCc2ccc(-c3cccc([N+](=O)[O-])c3)o2)C1 ZINC000414910442 433912244 /nfs/dbraw/zinc/91/22/44/433912244.db2.gz CVDZWDHZEPFCKU-KGLIPLIRSA-N 1 1 315.373 3.214 20 5 DGBDMO COc1ccc(C[N@H+]2CCC=C(c3ccco3)C2)cc1[N+](=O)[O-] ZINC000285452533 433953133 /nfs/dbraw/zinc/95/31/33/433953133.db2.gz YQUQDBGZKAMUON-UHFFFAOYSA-N 1 1 314.341 3.486 20 5 DGBDMO C[C@H]1SCC[N@@H+](CCCOc2ccc([N+](=O)[O-])cc2)[C@H]1C ZINC000303725667 433961697 /nfs/dbraw/zinc/96/16/97/433961697.db2.gz STHFZFAPKNDQHH-QWHCGFSZSA-N 1 1 310.419 3.190 20 5 DGBDMO O=[N+]([O-])c1ccccc1/C=C\CNC[C@H]1[NH2+]CCc2ccccc21 ZINC000414961327 433938000 /nfs/dbraw/zinc/93/80/00/433938000.db2.gz VDJGSFGHPSTIFS-GNJLHFKMSA-N 1 1 323.396 3.085 20 5 DGBDMO O=[N+]([O-])c1ccccc1/C=C/CNC[C@@H]1[NH2+]CCc2ccccc21 ZINC000414961333 433938731 /nfs/dbraw/zinc/93/87/31/433938731.db2.gz VDJGSFGHPSTIFS-MOTZXUDYSA-N 1 1 323.396 3.085 20 5 DGBDMO CC[N@H+]1CCC[C@H]1CNc1nccc2c1cccc2[N+](=O)[O-] ZINC000450216755 434036681 /nfs/dbraw/zinc/03/66/81/434036681.db2.gz NYJQHWXNCLOGDA-LBPRGKRZSA-N 1 1 300.362 3.039 20 5 DGBDMO CO[C@H](Cc1ccccc1)C[N@@H+](C)Cc1ccccc1[N+](=O)[O-] ZINC000450225826 434039792 /nfs/dbraw/zinc/03/97/92/434039792.db2.gz HMYNUMPIOIZRGC-QGZVFWFLSA-N 1 1 314.385 3.284 20 5 DGBDMO C[C@H]1C[C@H](Nc2nccc3c2cccc3[N+](=O)[O-])CC[N@H+]1C ZINC000450353811 434124796 /nfs/dbraw/zinc/12/47/96/434124796.db2.gz HBPUTWCYKHMEBI-NWDGAFQWSA-N 1 1 300.362 3.038 20 5 DGBDMO CO[C@H](C)C[N@H+](Cc1c(Cl)cccc1[N+](=O)[O-])C(C)C ZINC000493251878 294269252 /nfs/dbraw/zinc/26/92/52/294269252.db2.gz HCKDMQAISRNAEB-LLVKDONJSA-N 1 1 300.786 3.494 20 5 DGBDMO CO[C@H](C)C[N@@H+](Cc1c(Cl)cccc1[N+](=O)[O-])C(C)C ZINC000493251878 294269256 /nfs/dbraw/zinc/26/92/56/294269256.db2.gz HCKDMQAISRNAEB-LLVKDONJSA-N 1 1 300.786 3.494 20 5 DGBDMO C[N@@H+](Cc1cccc(-n2cccn2)c1)Cc1ccccc1[N+](=O)[O-] ZINC000507133422 294283709 /nfs/dbraw/zinc/28/37/09/294283709.db2.gz YHFVXOUTUAAKIH-UHFFFAOYSA-N 1 1 322.368 3.413 20 5 DGBDMO CC[N@H+]1C[C@@H](C)N(c2nccc3cc([N+](=O)[O-])ccc32)C[C@H]1C ZINC000450411865 434159865 /nfs/dbraw/zinc/15/98/65/434159865.db2.gz OGYUJIIBPUULBU-CHWSQXEVSA-N 1 1 314.389 3.062 20 5 DGBDMO C[C@@H]1[N@@H+](C/C=C/c2ccccc2[N+](=O)[O-])CCC12CCOCC2 ZINC000363871139 434174740 /nfs/dbraw/zinc/17/47/40/434174740.db2.gz ZLMZRHIOFQPGFB-DRDHIDPGSA-N 1 1 316.401 3.499 20 5 DGBDMO CCOc1cc(N[C@H]2CC[N@H+]3CCC[C@@H]3C2)ccc1[N+](=O)[O-] ZINC000317108038 434197188 /nfs/dbraw/zinc/19/71/88/434197188.db2.gz BXXCWDJNEDQLMR-UONOGXRCSA-N 1 1 305.378 3.032 20 5 DGBDMO Cc1ccc(C(C)(C)[NH2+]Cc2c(F)cccc2[N+](=O)[O-])cn1 ZINC000353574296 434240202 /nfs/dbraw/zinc/24/02/02/434240202.db2.gz WYMJCBJBYVVYDG-UHFFFAOYSA-N 1 1 303.337 3.462 20 5 DGBDMO Cc1ccc([C@@H](C)[NH2+]Cc2ncccc2N(C)C)cc1[N+](=O)[O-] ZINC000353631380 434289819 /nfs/dbraw/zinc/28/98/19/434289819.db2.gz PXIVONNVLVMEFN-CYBMUJFWSA-N 1 1 314.389 3.215 20 5 DGBDMO COCCc1cc[nH+]c(N[C@@H](C)c2ccc([N+](=O)[O-])cc2)c1 ZINC000287510163 434376976 /nfs/dbraw/zinc/37/69/76/434376976.db2.gz OCASOPYGVPBHCI-LBPRGKRZSA-N 1 1 301.346 3.352 20 5 DGBDMO CCC(N)(CC)C[NH2+][C@H](Cc1ccccc1[N+](=O)[O-])C1CC1 ZINC000423289059 434346848 /nfs/dbraw/zinc/34/68/48/434346848.db2.gz VYRCGZBYGOROFY-OAHLLOKOSA-N 1 1 305.422 3.023 20 5 DGBDMO C[C@@H]1Cc2[nH+]cn(Cc3ccc([N+](=O)[O-])cc3F)c2C[C@@H]1C ZINC000390186575 434355754 /nfs/dbraw/zinc/35/57/54/434355754.db2.gz SHNHIHCFSZFFRS-MNOVXSKESA-N 1 1 303.337 3.350 20 5 DGBDMO C[N@@H+](Cc1ccc(-c2ccccc2[N+](=O)[O-])o1)[C@H]1CCC[C@@H]1O ZINC000348556392 434397050 /nfs/dbraw/zinc/39/70/50/434397050.db2.gz OYPWAXYIYCJHCW-HOTGVXAUSA-N 1 1 316.357 3.200 20 5 DGBDMO COc1cc(C[N@H+]2C[C@H](C)[C@H](C)[C@H]2C)c([N+](=O)[O-])cc1OC ZINC000418111648 434589015 /nfs/dbraw/zinc/58/90/15/434589015.db2.gz AEONYIMINBFNKC-SDDRHHMPSA-N 1 1 308.378 3.088 20 5 DGBDMO CCOc1ccc([C@@H](C)[NH2+][C@H](C)CN(CC)CC)cc1[N+](=O)[O-] ZINC000349210177 434638659 /nfs/dbraw/zinc/63/86/59/434638659.db2.gz SRJQTOSZIUSKPK-ZIAGYGMSSA-N 1 1 323.437 3.374 20 5 DGBDMO CC[C@@H](CSc1ccccc1[N+](=O)[O-])[NH2+][C@@H]1CCCC[C@H]1N ZINC000424379933 434715825 /nfs/dbraw/zinc/71/58/25/434715825.db2.gz WEIFXBDALYETOW-BFHYXJOUSA-N 1 1 323.462 3.325 20 5 DGBDMO CC[C@@H](CSc1ccccc1[N+](=O)[O-])N[C@@H]1CCCC[C@H]1[NH3+] ZINC000424379933 434715829 /nfs/dbraw/zinc/71/58/29/434715829.db2.gz WEIFXBDALYETOW-BFHYXJOUSA-N 1 1 323.462 3.325 20 5 DGBDMO COc1ccc([N+](=O)[O-])cc1C[NH+]1CCC(OC2CCC2)CC1 ZINC000419292474 434765632 /nfs/dbraw/zinc/76/56/32/434765632.db2.gz YXJSSNGKXVXEOR-UHFFFAOYSA-N 1 1 320.389 3.137 20 5 DGBDMO Cc1c(NC(=O)CC[N@@H+]2C[C@H](C)[C@@H](C)[C@@H]2C)cccc1[N+](=O)[O-] ZINC000419373865 434780164 /nfs/dbraw/zinc/78/01/64/434780164.db2.gz OUQHZWWJCDRUIN-SCRDCRAPSA-N 1 1 319.405 3.208 20 5 DGBDMO Cc1c(NC(=O)CC[N@@H+]2C[C@H](C)[C@H](C)[C@H]2C)cccc1[N+](=O)[O-] ZINC000419373867 434779952 /nfs/dbraw/zinc/77/99/52/434779952.db2.gz OUQHZWWJCDRUIN-SGMGOOAPSA-N 1 1 319.405 3.208 20 5 DGBDMO C[C@@H]1C[N@@H+](Cc2nc(-c3cccc([N+](=O)[O-])c3)no2)[C@@H](C)[C@H]1C ZINC000419390812 434783639 /nfs/dbraw/zinc/78/36/39/434783639.db2.gz JHYDWFCQQLVOAI-WOPDTQHZSA-N 1 1 316.361 3.121 20 5 DGBDMO C[C@@H](C(=O)Nc1ccccc1[N+](=O)[O-])[N@H+]1CC(C)(C)C[C@H]1C ZINC000412050173 434862802 /nfs/dbraw/zinc/86/28/02/434862802.db2.gz XQWNREFHQJVKJV-NEPJUHHUSA-N 1 1 305.378 3.042 20 5 DGBDMO CC(C)c1ccc(CN2C[C@@H](C)[N@@H+](C)C[C@H]2C)cc1[N+](=O)[O-] ZINC000361155387 434815434 /nfs/dbraw/zinc/81/54/34/434815434.db2.gz PHUNHDHMHMHHOK-ZIAGYGMSSA-N 1 1 305.422 3.243 20 5 DGBDMO C[N@@H+](CCC(=O)Nc1ccc([N+](=O)[O-])cc1)C1CC(C)(C)C1 ZINC000411820881 434832472 /nfs/dbraw/zinc/83/24/72/434832472.db2.gz NFMITJZGRXXODH-UHFFFAOYSA-N 1 1 305.378 3.044 20 5 DGBDMO COc1ccc(C[N@H+]2CCSC3(CCC3)CC2)cc1[N+](=O)[O-] ZINC000411871253 434838332 /nfs/dbraw/zinc/83/83/32/434838332.db2.gz QOYITUXEPNIXPJ-UHFFFAOYSA-N 1 1 322.430 3.465 20 5 DGBDMO Cc1c(NC(=O)CC[N@@H+]2CC(C)(C)C[C@H]2C)cccc1[N+](=O)[O-] ZINC000412047181 434860983 /nfs/dbraw/zinc/86/09/83/434860983.db2.gz SGEJNDQIPHZORS-GFCCVEGCSA-N 1 1 319.405 3.352 20 5 DGBDMO CCCC[N@H+]1CCCC[C@@H]1CNc1ncc(C)cc1[N+](=O)[O-] ZINC000463055607 434940647 /nfs/dbraw/zinc/94/06/47/434940647.db2.gz UWEMOZXTDSIREO-CQSZACIVSA-N 1 1 306.410 3.365 20 5 DGBDMO O=[N+]([O-])c1cccc(Cl)c1C[N@H+]1CC[C@@H]([C@@H]2CCOC2)C1 ZINC000492299381 434955656 /nfs/dbraw/zinc/95/56/56/434955656.db2.gz ZUZPGOHTXPLAGP-VXGBXAGGSA-N 1 1 310.781 3.107 20 5 DGBDMO COc1cc(NCCC[N@@H+]2C[C@H](C)C[C@H](C)C2)ccc1[N+](=O)[O-] ZINC000462789759 434930142 /nfs/dbraw/zinc/93/01/42/434930142.db2.gz SCUMJVZKKFQICC-OKILXGFUSA-N 1 1 321.421 3.383 20 5 DGBDMO CCOc1cc(C[N@@H+](CCOC)CC(C)C)ccc1[N+](=O)[O-] ZINC000492536660 435006392 /nfs/dbraw/zinc/00/63/92/435006392.db2.gz NEPKUGCKJAMKQD-UHFFFAOYSA-N 1 1 310.394 3.098 20 5 DGBDMO CC(C)C[C@H]1CCCC[N@H+]1CC(=O)Nc1ccccc1[N+](=O)[O-] ZINC000466663951 435087065 /nfs/dbraw/zinc/08/70/65/435087065.db2.gz IWLJGNFWFMCEHO-CQSZACIVSA-N 1 1 319.405 3.434 20 5 DGBDMO COc1ccc(C[N@@H+]2CCC[C@@H]2c2ccccn2)cc1[N+](=O)[O-] ZINC000531439112 435094322 /nfs/dbraw/zinc/09/43/22/435094322.db2.gz JRZPCYYTHRIKOE-OAHLLOKOSA-N 1 1 313.357 3.336 20 5 DGBDMO COc1ccc(C[N@H+]2CCC[C@@H]2c2ccccn2)cc1[N+](=O)[O-] ZINC000531439112 435094326 /nfs/dbraw/zinc/09/43/26/435094326.db2.gz JRZPCYYTHRIKOE-OAHLLOKOSA-N 1 1 313.357 3.336 20 5 DGBDMO CCC[N@@H+](CC)C[C@@H](C)Nc1ccc(C(C)=O)cc1[N+](=O)[O-] ZINC000558604428 435100368 /nfs/dbraw/zinc/10/03/68/435100368.db2.gz NDMWIKHIVOXWHL-GFCCVEGCSA-N 1 1 307.394 3.330 20 5 DGBDMO CN(C)CC[N@H+](C)Cc1ccc(-c2ccc([N+](=O)[O-])cc2)s1 ZINC000578680396 435101407 /nfs/dbraw/zinc/10/14/07/435101407.db2.gz NQOFKCXDRGLZOM-UHFFFAOYSA-N 1 1 319.430 3.317 20 5 DGBDMO CN(C)CC[N@@H+](C)Cc1ccc(-c2ccc([N+](=O)[O-])cc2)s1 ZINC000578680396 435101413 /nfs/dbraw/zinc/10/14/13/435101413.db2.gz NQOFKCXDRGLZOM-UHFFFAOYSA-N 1 1 319.430 3.317 20 5 DGBDMO CC(C)C[C@@H]1CC[N@H+]([C@H](C)C(=O)Nc2ccc([N+](=O)[O-])cc2)C1 ZINC000467169885 435110170 /nfs/dbraw/zinc/11/01/70/435110170.db2.gz FCKSHGRTVFPNAB-KGLIPLIRSA-N 1 1 319.405 3.290 20 5 DGBDMO C/C(=C\c1cccc([N+](=O)[O-])c1)CN[C@@H](C)C[NH+]1CCCCC1 ZINC000579854303 435188537 /nfs/dbraw/zinc/18/85/37/435188537.db2.gz UJFUZLBTZLTJRK-SFKKXYGYSA-N 1 1 317.433 3.462 20 5 DGBDMO C/C(=C\c1cccc([N+](=O)[O-])c1)C[N@H+]1CCC[C@@](C)(O)CC1 ZINC000475358632 435192018 /nfs/dbraw/zinc/19/20/18/435192018.db2.gz QIXKRYLJWNJMDX-GWKQRERASA-N 1 1 304.390 3.235 20 5 DGBDMO CC(C)C[C@]1(CO)CCC[N@H+]1C/C=C\c1ccccc1[N+](=O)[O-] ZINC000475377998 435194092 /nfs/dbraw/zinc/19/40/92/435194092.db2.gz CQEAPJBIKYCJSJ-MTIYJEKLSA-N 1 1 318.417 3.481 20 5 DGBDMO O=[N+]([O-])c1ccc2[nH]c(C[N@H+]3CC[C@@H]4CCCC[C@@H]43)nc2c1 ZINC000579468839 435155719 /nfs/dbraw/zinc/15/57/19/435155719.db2.gz NGJXZFISAHHYES-NHYWBVRUSA-N 1 1 300.362 3.236 20 5 DGBDMO CC[C@H](C)[C@@H]1CCCC[N@H+]1Cc1ccc(C(N)=O)cc1[N+](=O)[O-] ZINC000532584679 435179723 /nfs/dbraw/zinc/17/97/23/435179723.db2.gz RIJGLUCFGAOTFQ-WFASDCNBSA-N 1 1 319.405 3.094 20 5 DGBDMO Cc1ccc(C[N@H+](Cc2ccccc2)C[C@H](C)O)cc1[N+](=O)[O-] ZINC000535079625 435318207 /nfs/dbraw/zinc/31/82/07/435318207.db2.gz AWICWFPKZVLAPN-HNNXBMFYSA-N 1 1 314.385 3.286 20 5 DGBDMO CC[C@H]1[C@H](C)CC[N@H+]1CCOc1ccc(OC)cc1[N+](=O)[O-] ZINC000481411850 435426343 /nfs/dbraw/zinc/42/63/43/435426343.db2.gz KWVSBVWBTFLQLI-OCCSQVGLSA-N 1 1 308.378 3.103 20 5 DGBDMO CC(C)C[N@H+](C/C=C\c1ccccc1[N+](=O)[O-])CCN(C)C ZINC000514758303 435433502 /nfs/dbraw/zinc/43/35/02/435433502.db2.gz LNFPRVDLXYQMFC-CLFYSBASSA-N 1 1 305.422 3.128 20 5 DGBDMO CC(C)CN(C/C=C\c1ccccc1[N+](=O)[O-])CC[NH+](C)C ZINC000514758303 435433508 /nfs/dbraw/zinc/43/35/08/435433508.db2.gz LNFPRVDLXYQMFC-CLFYSBASSA-N 1 1 305.422 3.128 20 5 DGBDMO O=[N+]([O-])c1ccccc1/C=C/C[N@H+]1CCC[C@@H]1C1CCOCC1 ZINC000537466407 435443586 /nfs/dbraw/zinc/44/35/86/435443586.db2.gz CBGIOSLQBDBFSH-ZNNBYXKUSA-N 1 1 316.401 3.499 20 5 DGBDMO CC1(C)C[N@@H+](CCOc2ccccc2[N+](=O)[O-])[C@H]2CCC[C@@H]21 ZINC000569108699 435503931 /nfs/dbraw/zinc/50/39/31/435503931.db2.gz PUMDCQNTDOUXAB-KBPBESRZSA-N 1 1 304.390 3.484 20 5 DGBDMO CCC[C@@]1(CO)CC[N@@H+](C/C(C)=C/c2cccc([N+](=O)[O-])c2)C1 ZINC000569392525 435529242 /nfs/dbraw/zinc/52/92/42/435529242.db2.gz OKPUUFPZANKHMM-SPQRHKFCSA-N 1 1 318.417 3.483 20 5 DGBDMO CC(C)[C@H](C[NH2+][C@@H]1CCc2c1cccc2[N+](=O)[O-])N1CCCC1 ZINC000569472902 435536996 /nfs/dbraw/zinc/53/69/96/435536996.db2.gz SRRVVYFNYIXIDC-AEFFLSMTSA-N 1 1 317.433 3.292 20 5 DGBDMO C[N@H+]1CCC[C@H](C[NH2+][C@H]2CC(C)(C)c3ccc([N+](=O)[O-])cc32)C1 ZINC000516530393 435534759 /nfs/dbraw/zinc/53/47/59/435534759.db2.gz XBCXDWYUUSKCNC-DYVFJYSZSA-N 1 1 317.433 3.249 20 5 DGBDMO CN1CCC[C@H](C[NH2+][C@H]2CC(C)(C)c3ccc([N+](=O)[O-])cc32)C1 ZINC000516530393 435534762 /nfs/dbraw/zinc/53/47/62/435534762.db2.gz XBCXDWYUUSKCNC-DYVFJYSZSA-N 1 1 317.433 3.249 20 5 DGBDMO C[N@@H+]1CCC[C@H](CN[C@H]2CC(C)(C)c3ccc([N+](=O)[O-])cc32)C1 ZINC000516530393 435534765 /nfs/dbraw/zinc/53/47/65/435534765.db2.gz XBCXDWYUUSKCNC-DYVFJYSZSA-N 1 1 317.433 3.249 20 5 DGBDMO C[N@H+]1CCC[C@H](CN[C@H]2CC(C)(C)c3ccc([N+](=O)[O-])cc32)C1 ZINC000516530393 435534767 /nfs/dbraw/zinc/53/47/67/435534767.db2.gz XBCXDWYUUSKCNC-DYVFJYSZSA-N 1 1 317.433 3.249 20 5 DGBDMO CC[N@@H+]1CCCC[C@@H]1CN[C@@H](C)c1ccc(C)c([N+](=O)[O-])c1 ZINC000482864342 435486279 /nfs/dbraw/zinc/48/62/79/435486279.db2.gz AQXTYVGAJQNWQV-GOEBONIOSA-N 1 1 305.422 3.428 20 5 DGBDMO CC[N@H+]1CCCC[C@@H]1CN[C@@H](C)c1ccc(C)c([N+](=O)[O-])c1 ZINC000482864342 435486282 /nfs/dbraw/zinc/48/62/82/435486282.db2.gz AQXTYVGAJQNWQV-GOEBONIOSA-N 1 1 305.422 3.428 20 5 DGBDMO O=[N+]([O-])c1ccccc1C[N@H+](C[C@@H]1CCCC[C@H]1O)C1CC1 ZINC000516774552 435551867 /nfs/dbraw/zinc/55/18/67/435551867.db2.gz VPGBGIGXWSXWKE-WMLDXEAASA-N 1 1 304.390 3.110 20 5 DGBDMO O=[N+]([O-])c1ccc(C[N@H+]2CC3(CCOCC3)[C@@H]3CCC[C@@H]32)cc1 ZINC000517071363 435573389 /nfs/dbraw/zinc/57/33/89/435573389.db2.gz DQHVROUOMNRYLI-SJORKVTESA-N 1 1 316.401 3.376 20 5 DGBDMO O=[N+]([O-])c1ccc(N[C@H]2CC[N@@H+](CC3CCCCCC3)C2)nc1 ZINC000539835925 435574887 /nfs/dbraw/zinc/57/48/87/435574887.db2.gz WNFNMLWJUGUBFL-HNNXBMFYSA-N 1 1 318.421 3.446 20 5 DGBDMO Cc1cc(N[C@@H]2CC[N@@H+](C)[C@@H](C)C2)c2cccc([N+](=O)[O-])c2n1 ZINC000540646498 435612870 /nfs/dbraw/zinc/61/28/70/435612870.db2.gz OMKCUWSDZXJYPT-QWHCGFSZSA-N 1 1 314.389 3.346 20 5 DGBDMO C[C@@H]1C[N@@H+](C)C[C@@H]1C(=O)Nc1ccc(C(C)(C)C)c([N+](=O)[O-])c1 ZINC000488333127 435635660 /nfs/dbraw/zinc/63/56/60/435635660.db2.gz CMPDZNSFBVDGBJ-YPMHNXCESA-N 1 1 319.405 3.029 20 5 DGBDMO C[N@H+](Cc1coc(-c2ccc([N+](=O)[O-])cc2)n1)[C@@H]1CC1(C)C ZINC000489459537 435649766 /nfs/dbraw/zinc/64/97/66/435649766.db2.gz CCWAWYQGKXBCGI-CQSZACIVSA-N 1 1 301.346 3.480 20 5 DGBDMO C[N@@H+](Cc1coc(-c2ccc([N+](=O)[O-])cc2)n1)[C@@H]1CC1(C)C ZINC000489459537 435649770 /nfs/dbraw/zinc/64/97/70/435649770.db2.gz CCWAWYQGKXBCGI-CQSZACIVSA-N 1 1 301.346 3.480 20 5 DGBDMO Cc1cccc([N+](=O)[O-])c1NC(=O)C[N@H+]1CC[C@@H]2CCCC[C@@H]21 ZINC000571674820 435726947 /nfs/dbraw/zinc/72/69/47/435726947.db2.gz DDIPKHYBWKTJLZ-KBPBESRZSA-N 1 1 317.389 3.106 20 5 DGBDMO CN(CC[N@H+](C)Cc1ccc([N+](=O)[O-])cc1F)c1ccccc1 ZINC000491181822 435711826 /nfs/dbraw/zinc/71/18/26/435711826.db2.gz GRRLVSQNBZIUMA-UHFFFAOYSA-N 1 1 317.364 3.302 20 5 DGBDMO CN(CC[N@@H+](C)Cc1ccc([N+](=O)[O-])cc1F)c1ccccc1 ZINC000491181822 435711829 /nfs/dbraw/zinc/71/18/29/435711829.db2.gz GRRLVSQNBZIUMA-UHFFFAOYSA-N 1 1 317.364 3.302 20 5 DGBDMO O=[N+]([O-])c1cccc2c1CC[C@H]2[NH2+][C@H]1COc2ccc(F)cc21 ZINC000572661308 435851945 /nfs/dbraw/zinc/85/19/45/435851945.db2.gz DBUUOLSEHSDNTA-CABCVRRESA-N 1 1 314.316 3.445 20 5 DGBDMO CC(C)[N@@H+](C)C[C@@H](C)Nc1ccc([N+](=O)[O-])cc1OC(F)F ZINC000572808491 435868819 /nfs/dbraw/zinc/86/88/19/435868819.db2.gz LJTIEMUMGVIBTK-SNVBAGLBSA-N 1 1 317.336 3.337 20 5 DGBDMO C[C@]1(CO)CCC[N@H+]1Cc1ccc(-c2cccc([N+](=O)[O-])c2)o1 ZINC000530443019 313370283 /nfs/dbraw/zinc/37/02/83/313370283.db2.gz KCWVUBCOEUBDTR-QGZVFWFLSA-N 1 1 316.357 3.202 20 5 DGBDMO Cc1ccc([N+](=O)[O-])cc1NC(=O)C[N@@H+]1C[C@H](C)CC(C)(C)C1 ZINC000541325967 314007894 /nfs/dbraw/zinc/00/78/94/314007894.db2.gz SNOQHHSGHRLSIT-GFCCVEGCSA-N 1 1 319.405 3.210 20 5 DGBDMO Cc1cc([N+](=O)[O-])ccc1NC(=O)C[N@H+]1CC[C@@H](C(C)(C)C)C1 ZINC000542320529 314070283 /nfs/dbraw/zinc/07/02/83/314070283.db2.gz SVQJEBBQNCGAFN-CYBMUJFWSA-N 1 1 319.405 3.210 20 5 DGBDMO CCOCC[NH2+][C@H](c1ccc(CC)o1)c1ccc([N+](=O)[O-])cc1 ZINC000543407860 314132003 /nfs/dbraw/zinc/13/20/03/314132003.db2.gz YAGXJAMPRUVPTK-KRWDZBQOSA-N 1 1 318.373 3.466 20 5 DGBDMO CC[C@@H]([NH2+][C@@H](C)c1ccc(C)c([N+](=O)[O-])c1)c1ccn(C)n1 ZINC000544574172 314199888 /nfs/dbraw/zinc/19/98/88/314199888.db2.gz MJWCWKOKPRASDJ-GXTWGEPZSA-N 1 1 302.378 3.439 20 5 DGBDMO O=[N+]([O-])c1ccc(C[NH2+]Cc2ccc3[nH]cnc3c2)c(Cl)c1 ZINC000545928560 314276307 /nfs/dbraw/zinc/27/63/07/314276307.db2.gz QUPZXSQOQUJKLA-UHFFFAOYSA-N 1 1 316.748 3.414 20 5 DGBDMO O=[N+]([O-])c1ccc(C[NH2+]Cc2ccc3nc[nH]c3c2)c(Cl)c1 ZINC000545928560 314276308 /nfs/dbraw/zinc/27/63/08/314276308.db2.gz QUPZXSQOQUJKLA-UHFFFAOYSA-N 1 1 316.748 3.414 20 5 DGBDMO CCCC[N@H+](C)C[C@@H](C)NC/C=C/c1ccccc1[N+](=O)[O-] ZINC000563484307 315119289 /nfs/dbraw/zinc/11/92/89/315119289.db2.gz ZHHOFGFJWVGSPZ-TUPIDYKKSA-N 1 1 305.422 3.318 20 5 DGBDMO CCCC[N@@H+](C)C[C@@H](C)NC/C=C/c1ccccc1[N+](=O)[O-] ZINC000563484307 315119292 /nfs/dbraw/zinc/11/92/92/315119292.db2.gz ZHHOFGFJWVGSPZ-TUPIDYKKSA-N 1 1 305.422 3.318 20 5 DGBDMO CN(CCC[NH3+])Cc1ccc(-c2ccc([N+](=O)[O-])cc2)s1 ZINC000564968846 315215654 /nfs/dbraw/zinc/21/56/54/315215654.db2.gz JEHCDJKEWCFMMI-UHFFFAOYSA-N 1 1 305.403 3.104 20 5 DGBDMO Cc1ccc(C[N@H+]2CCC[C@@H]2[C@@H]2CCCOC2)cc1[N+](=O)[O-] ZINC000564986564 315217467 /nfs/dbraw/zinc/21/74/67/315217467.db2.gz PFZBZPZODJTJBS-HZPDHXFCSA-N 1 1 304.390 3.294 20 5 DGBDMO CN(CCC[NH3+])Cc1ccc(-c2ccccc2[N+](=O)[O-])s1 ZINC000575045369 316027380 /nfs/dbraw/zinc/02/73/80/316027380.db2.gz BHMHQROMRBURKM-UHFFFAOYSA-N 1 1 305.403 3.104 20 5 DGBDMO O=[N+]([O-])c1cccc(C[N@H+]2CC3(CCOCC3)[C@@H]3CCC[C@@H]32)c1 ZINC000578023309 316295689 /nfs/dbraw/zinc/29/56/89/316295689.db2.gz XBPYBZTXNHTXGE-SJORKVTESA-N 1 1 316.401 3.376 20 5 DGBDMO CC(C)(O)C[N@@H+](Cc1ccccc1)Cc1ccc([N+](=O)[O-])cc1 ZINC000181145777 323247302 /nfs/dbraw/zinc/24/73/02/323247302.db2.gz JHOXQUBCJFDOOG-UHFFFAOYSA-N 1 1 314.385 3.368 20 5 DGBDMO Cc1c([C@@H](C)[NH2+]Cc2ccc(Cl)cc2[N+](=O)[O-])cnn1C ZINC000183306025 323333663 /nfs/dbraw/zinc/33/36/63/323333663.db2.gz JNQRQHSRFOXWEN-SECBINFHSA-N 1 1 308.769 3.141 20 5 DGBDMO CCCC[N@@H+](C)C[C@H](C)Nc1c2c(ccc1[N+](=O)[O-])NCC2 ZINC000580737208 324032767 /nfs/dbraw/zinc/03/27/67/324032767.db2.gz WSWXHHWUPZHDJB-LBPRGKRZSA-N 1 1 306.410 3.095 20 5 DGBDMO C[N@@H+](CCN[C@H]1CCc2c1cccc2[N+](=O)[O-])C1CCCC1 ZINC000581142092 324079859 /nfs/dbraw/zinc/07/98/59/324079859.db2.gz JBVQPTUNRBQHGK-INIZCTEOSA-N 1 1 303.406 3.046 20 5 DGBDMO CN(CC[NH2+][C@H]1CCc2c1cccc2[N+](=O)[O-])C1CCCC1 ZINC000581142092 324079861 /nfs/dbraw/zinc/07/98/61/324079861.db2.gz JBVQPTUNRBQHGK-INIZCTEOSA-N 1 1 303.406 3.046 20 5 DGBDMO C/C(=C\c1cccc([N+](=O)[O-])c1)C[N@@H+]1CC[C@@H](OC(C)C)C1 ZINC000581884930 324164597 /nfs/dbraw/zinc/16/45/97/324164597.db2.gz POOORGBBTLMKOY-RKCSUWQLSA-N 1 1 304.390 3.497 20 5 DGBDMO COc1cccnc1C[NH2+][C@H](C)c1cc([N+](=O)[O-])ccc1C ZINC000582044755 324182019 /nfs/dbraw/zinc/18/20/19/324182019.db2.gz KNUDZESDRATCBZ-GFCCVEGCSA-N 1 1 301.346 3.158 20 5 DGBDMO CC(C)[N@H+](Cc1ccc([N+](=O)[O-])cc1)C[C@@H]1CCCC[C@@H]1O ZINC000582065803 324185876 /nfs/dbraw/zinc/18/58/76/324185876.db2.gz FTMBAHFLFQXEED-RDJZCZTQSA-N 1 1 306.406 3.356 20 5 DGBDMO Cc1cc(NCc2c[nH+]c3n2CCCC3)c(F)cc1[N+](=O)[O-] ZINC000582394113 324223411 /nfs/dbraw/zinc/22/34/11/324223411.db2.gz XUEHSSWICPVRMS-UHFFFAOYSA-N 1 1 304.325 3.187 20 5 DGBDMO O=[N+]([O-])c1ccc([C@@H]2CCC[N@H+](C[C@H]3CCCC[C@H]3O)C2)cc1 ZINC000582847905 324283832 /nfs/dbraw/zinc/28/38/32/324283832.db2.gz CEGMSBUWYCDXGX-JFIYKMOQSA-N 1 1 318.417 3.325 20 5 DGBDMO C[C@@H](O)[C@H]1C[C@H](C)CC[N@H+]1Cc1c(Cl)cccc1[N+](=O)[O-] ZINC000443317497 533860237 /nfs/dbraw/zinc/86/02/37/533860237.db2.gz XWGDPZBFLPLRTN-UEKVPHQBSA-N 1 1 312.797 3.230 20 5 DGBDMO CS[C@@H]1CCCC[N@@H+](CCOc2ccc([N+](=O)[O-])cc2)C1 ZINC000441101179 533943588 /nfs/dbraw/zinc/94/35/88/533943588.db2.gz JNDROHQWOQNAJH-OAHLLOKOSA-N 1 1 310.419 3.191 20 5 DGBDMO COC(=O)c1ccc([C@@H](C)[NH2+][C@@H](C)c2ccc([N+](=O)[O-])cc2)o1 ZINC000296745481 534242552 /nfs/dbraw/zinc/24/25/52/534242552.db2.gz PDIRNTXNWAGSBH-WDEREUQCSA-N 1 1 318.329 3.386 20 5 DGBDMO C[C@H](C(=O)Nc1ccccc1[N+](=O)[O-])[N@H+]1CC[C@@H](C)C[C@H](C)C1 ZINC000443640277 534298655 /nfs/dbraw/zinc/29/86/55/534298655.db2.gz IROBVKULBDRDBT-HZSPNIEDSA-N 1 1 319.405 3.290 20 5 DGBDMO O=[N+]([O-])c1ccccc1C[NH2+][C@H]1CCN[C@H](c2ccccc2)C1 ZINC000415091708 534886976 /nfs/dbraw/zinc/88/69/76/534886976.db2.gz ZQEGZPKRYCBUFG-IRXDYDNUSA-N 1 1 311.385 3.178 20 5 DGBDMO Cc1noc([C@@H]2CCC[N@H+]([C@H](C)c3ccccc3[N+](=O)[O-])C2)n1 ZINC000266520892 526653215 /nfs/dbraw/zinc/65/32/15/526653215.db2.gz IJAWPLVVCBZXKY-DGCLKSJQSA-N 1 1 316.361 3.227 20 5 DGBDMO CC(C)(C)[C@H]1CC[N@@H+](Cc2nc3cc([N+](=O)[O-])ccc3[nH]2)C1 ZINC000444685896 526733766 /nfs/dbraw/zinc/73/37/66/526733766.db2.gz QGSIWPUCAGVCPL-NSHDSACASA-N 1 1 302.378 3.339 20 5 DGBDMO CC(C)[C@H]1CCC[N@@H+](CCC(=O)Nc2ccc([N+](=O)[O-])cc2)C1 ZINC000444750013 527775447 /nfs/dbraw/zinc/77/54/47/527775447.db2.gz XCBDCZIHORGXLZ-AWEZNQCLSA-N 1 1 319.405 3.291 20 5 DGBDMO CC(C)[C@H]1CCC[N@@H+](Cc2nc3cc([N+](=O)[O-])ccc3[nH]2)C1 ZINC000444688002 527777847 /nfs/dbraw/zinc/77/78/47/527777847.db2.gz IFFBPRBEDKBTFP-LBPRGKRZSA-N 1 1 302.378 3.339 20 5 DGBDMO CCC[N@@H+](CCOc1ccc(OC)cc1[N+](=O)[O-])CC(C)C ZINC000441273611 528103380 /nfs/dbraw/zinc/10/33/80/528103380.db2.gz DCFBQPAMDXFHNJ-UHFFFAOYSA-N 1 1 310.394 3.350 20 5 DGBDMO CC1=CC[N@@H+](CCNc2nccc3ccc([N+](=O)[O-])cc32)CC1 ZINC000413243028 528121863 /nfs/dbraw/zinc/12/18/63/528121863.db2.gz YHBADIPLDKEPJS-UHFFFAOYSA-N 1 1 312.373 3.207 20 5 DGBDMO CCOc1cc(NCCCC[N@@H+](C)C2CC2)ccc1[N+](=O)[O-] ZINC000413344862 528325205 /nfs/dbraw/zinc/32/52/05/528325205.db2.gz DXMOUITUPRGDBQ-UHFFFAOYSA-N 1 1 307.394 3.280 20 5 DGBDMO CC(C)C[C@@H]1CC[N@@H+](Cc2nc3cc([N+](=O)[O-])ccc3[nH]2)C1 ZINC000444645028 528387995 /nfs/dbraw/zinc/38/79/95/528387995.db2.gz WOJWLGXMSWIMPA-LBPRGKRZSA-N 1 1 302.378 3.339 20 5 DGBDMO CCC1(CC)CC[N@@H+](Cc2nc3cc([N+](=O)[O-])ccc3[nH]2)C1 ZINC000444649020 529057147 /nfs/dbraw/zinc/05/71/47/529057147.db2.gz KLXASQPFRNETMO-UHFFFAOYSA-N 1 1 302.378 3.483 20 5 DGBDMO CC[N@H+]1CCC[C@H]1CNc1ccc([N+](=O)[O-])c2ncccc12 ZINC000314441706 529106970 /nfs/dbraw/zinc/10/69/70/529106970.db2.gz IFAXAOXNYWYAKH-LBPRGKRZSA-N 1 1 300.362 3.039 20 5 DGBDMO CC[C@H]1CCC[N@H+]([C@H](C)C(=O)Nc2ccccc2[N+](=O)[O-])C1 ZINC000330783619 529217901 /nfs/dbraw/zinc/21/79/01/529217901.db2.gz ILOIKOXPQIDPRE-OLZOCXBDSA-N 1 1 305.378 3.044 20 5 DGBDMO CC[NH+](CC)C[C@H](C)NC/C(C)=C/c1cccc([N+](=O)[O-])c1 ZINC000468630265 535589648 /nfs/dbraw/zinc/58/96/48/535589648.db2.gz OETXZYOJLLJSDH-IPJDOKCGSA-N 1 1 305.422 3.318 20 5 DGBDMO CC[C@H]1C[N@@H+](CC)CCN1C/C=C\c1ccccc1[N+](=O)[O-] ZINC000449566972 536137905 /nfs/dbraw/zinc/13/79/05/536137905.db2.gz SPDIACPSSRSZAR-GQSKFBFOSA-N 1 1 303.406 3.024 20 5 DGBDMO CC[C@H]1C[N@@H+](CC)CCN1C/C=C/c1ccccc1[N+](=O)[O-] ZINC000449566968 536139285 /nfs/dbraw/zinc/13/92/85/536139285.db2.gz SPDIACPSSRSZAR-DYLHUKMJSA-N 1 1 303.406 3.024 20 5 DGBDMO C[N@@H+]1CCC[C@H]1CCN1CCC[C@H](c2ccc([N+](=O)[O-])cc2)C1 ZINC000451543774 536389847 /nfs/dbraw/zinc/38/98/47/536389847.db2.gz CRQLBOKWMBNBTN-IRXDYDNUSA-N 1 1 317.433 3.259 20 5 DGBDMO C[N@H+]1CCC[C@H]1CCN1CCC[C@H](c2ccc([N+](=O)[O-])cc2)C1 ZINC000451543774 536389852 /nfs/dbraw/zinc/38/98/52/536389852.db2.gz CRQLBOKWMBNBTN-IRXDYDNUSA-N 1 1 317.433 3.259 20 5 DGBDMO COC[C@@H]1CCC[N@@H+](C/C(C)=C/c2cccc([N+](=O)[O-])c2)C1 ZINC000470171634 536753853 /nfs/dbraw/zinc/75/38/53/536753853.db2.gz MQTPJASTMXHSBC-SCZPIIQISA-N 1 1 304.390 3.357 20 5 DGBDMO C[C@@H](C(=O)OCc1c(F)cccc1[N+](=O)[O-])[NH+]1[C@H](C)CC[C@H]1C ZINC000741017243 574524058 /nfs/dbraw/zinc/52/40/58/574524058.db2.gz BVGVDISHVYJINT-UTUOFQBUSA-N 1 1 324.352 3.038 20 5 DGBDMO CC(C)[N@H+]1CCCN(Cc2cc([N+](=O)[O-])ccc2Cl)CC1 ZINC000735492791 574703992 /nfs/dbraw/zinc/70/39/92/574703992.db2.gz TXUWPMLLQXJZFD-UHFFFAOYSA-N 1 1 311.813 3.164 20 5 DGBDMO C[C@@H]1C[C@H](C)C[N@@H+]1Cn1cc(-c2ccc([N+](=O)[O-])cc2)cn1 ZINC000740859992 574943654 /nfs/dbraw/zinc/94/36/54/574943654.db2.gz ODVFPBJHONCMDU-QWHCGFSZSA-N 1 1 300.362 3.146 20 5 DGBDMO CC(C)[C@H](C)[N@@H+](C)Cn1cc(-c2ccc([N+](=O)[O-])cc2)cn1 ZINC000728898090 575192455 /nfs/dbraw/zinc/19/24/55/575192455.db2.gz WSFOVCWNGBUIBC-ZDUSSCGKSA-N 1 1 302.378 3.392 20 5 DGBDMO O=[N+]([O-])c1ccc(Cl)cc1C[N@@H+]1CCC[C@H](n2ccnc2)C1 ZINC000746666499 575467538 /nfs/dbraw/zinc/46/75/38/575467538.db2.gz OOYFMOLCQALCPG-AWEZNQCLSA-N 1 1 320.780 3.282 20 5 DGBDMO O=[N+]([O-])c1ccc(Cl)cc1C[N@H+]1CCC[C@H](n2ccnc2)C1 ZINC000746666499 575467542 /nfs/dbraw/zinc/46/75/42/575467542.db2.gz OOYFMOLCQALCPG-AWEZNQCLSA-N 1 1 320.780 3.282 20 5 DGBDMO O=[N+]([O-])c1ccc(Cl)cc1C[N@H+]1CCC[C@@H]([C@@H]2CCOC2)C1 ZINC000749559004 575664984 /nfs/dbraw/zinc/66/49/84/575664984.db2.gz KPGHKJPTFATLHE-CHWSQXEVSA-N 1 1 324.808 3.497 20 5 DGBDMO CC[C@@H]1CCC[N@@H+](Cn2nc(C)c3cc([N+](=O)[O-])cnc32)CC1 ZINC000749956588 575692050 /nfs/dbraw/zinc/69/20/50/575692050.db2.gz XIDBYQTZZGEXCX-CYBMUJFWSA-N 1 1 317.393 3.118 20 5 DGBDMO O=[N+]([O-])c1cccc([C@@H](O)C[N@H+]2CCC[C@@H](C3CCC3)C2)c1 ZINC000852673371 620639239 /nfs/dbraw/zinc/63/92/39/620639239.db2.gz HVIFCUIZYOQOAT-WBVHZDCISA-N 1 1 304.390 3.140 20 5 DGBDMO O=[N+]([O-])c1ccc(C[N@@H+]2CC[C@@H](Oc3ccccc3)C2)cc1F ZINC000852681821 620640776 /nfs/dbraw/zinc/64/07/76/620640776.db2.gz XNBJHIQQIUENAT-OAHLLOKOSA-N 1 1 316.332 3.387 20 5 DGBDMO O=[N+]([O-])c1ccc(C[N@H+]2CC[C@@H](Oc3ccccc3)C2)cc1F ZINC000852681821 620640778 /nfs/dbraw/zinc/64/07/78/620640778.db2.gz XNBJHIQQIUENAT-OAHLLOKOSA-N 1 1 316.332 3.387 20 5 DGBDMO C[N@@H+](CCSCc1cccnc1[N+](=O)[O-])Cc1ccccc1 ZINC000917588085 620678154 /nfs/dbraw/zinc/67/81/54/620678154.db2.gz NHSBTQBURRZAOK-UHFFFAOYSA-N 1 1 317.414 3.355 20 5 DGBDMO CC[N@H+]1CCCN(c2nc3ccc([N+](=O)[O-])cc3s2)[C@H](C)C1 ZINC000853686784 620724966 /nfs/dbraw/zinc/72/49/66/620724966.db2.gz MGKDPTHVRCJROY-LLVKDONJSA-N 1 1 320.418 3.125 20 5 DGBDMO COc1c(O)ccc(C[N@H+]2CCC[C@@H]3CCC[C@@H]32)c1[N+](=O)[O-] ZINC000891803899 617902589 /nfs/dbraw/zinc/90/25/89/617902589.db2.gz LYRPEYFMCIQODY-AAEUAGOBSA-N 1 1 306.362 3.074 20 5 DGBDMO Cc1cc(C[N@@H+](C)CCc2ccccc2[N+](=O)[O-])cnc1F ZINC000894390833 618304014 /nfs/dbraw/zinc/30/40/14/618304014.db2.gz KWMKXLBVEWHVLK-UHFFFAOYSA-N 1 1 303.337 3.112 20 5 DGBDMO COC1CCC(C[N@@H+](C)CCc2ccccc2[N+](=O)[O-])CC1 ZINC000894391597 618304195 /nfs/dbraw/zinc/30/41/95/618304195.db2.gz SRYRRBWNSFGSKA-UHFFFAOYSA-N 1 1 306.406 3.274 20 5 DGBDMO O=[N+]([O-])c1cc(Cl)c(N[C@@H]2Cc3c[nH+]cn3C2)c(Cl)c1 ZINC000894996585 618508985 /nfs/dbraw/zinc/50/89/85/618508985.db2.gz NHHAGJKWAHOVLG-SSDOTTSWSA-N 1 1 313.144 3.135 20 5 DGBDMO COc1ccnc([C@H](C)[NH2+][C@H](C)c2ccccc2[N+](=O)[O-])c1 ZINC000925693575 618532703 /nfs/dbraw/zinc/53/27/03/618532703.db2.gz PONSEIKCWDHWQL-NEPJUHHUSA-N 1 1 301.346 3.410 20 5 DGBDMO Cc1n[nH]c(C[N@H+](Cc2ccc([N+](=O)[O-])cc2)C(C)C)c1C ZINC000893945945 618681677 /nfs/dbraw/zinc/68/16/77/618681677.db2.gz PAFITQANCQWRGR-UHFFFAOYSA-N 1 1 302.378 3.345 20 5 DGBDMO Cc1n[nH]c(C[N@@H+](Cc2ccc([N+](=O)[O-])cc2)C(C)C)c1C ZINC000893945945 618681681 /nfs/dbraw/zinc/68/16/81/618681681.db2.gz PAFITQANCQWRGR-UHFFFAOYSA-N 1 1 302.378 3.345 20 5 DGBDMO COc1c(O)ccc(C[NH2+][C@H](C)c2ccsc2)c1[N+](=O)[O-] ZINC000894264624 618745220 /nfs/dbraw/zinc/74/52/20/618745220.db2.gz NKLDFXYCBDUSIJ-SECBINFHSA-N 1 1 308.359 3.221 20 5 DGBDMO C[N@H+]1CCCC[C@@H](CNCc2ccc(Cl)cc2[N+](=O)[O-])C1 ZINC000895587374 618803264 /nfs/dbraw/zinc/80/32/64/618803264.db2.gz QDUGEIBYKNAWGO-LBPRGKRZSA-N 1 1 311.813 3.070 20 5 DGBDMO O=[N+]([O-])c1ccc(C[NH+]2CC(CC3CCOCC3)C2)c(Cl)c1 ZINC000895615303 618807383 /nfs/dbraw/zinc/80/73/83/618807383.db2.gz LWFHYWGBGKUJNU-UHFFFAOYSA-N 1 1 324.808 3.497 20 5 DGBDMO Cc1ccc([N+](=O)[O-])c(C)c1C[N@H+]1CC[C@@H]([C@@H]2CCCO2)C1 ZINC000895846701 618841063 /nfs/dbraw/zinc/84/10/63/618841063.db2.gz WSKHIURUFAOLMP-PBHICJAKSA-N 1 1 304.390 3.213 20 5 DGBDMO Cc1ccc([N+](=O)[O-])c(C)c1C[N@H+]1CC[C@H]([C@@H]2CCCO2)C1 ZINC000895846708 618841416 /nfs/dbraw/zinc/84/14/16/618841416.db2.gz WSKHIURUFAOLMP-YOEHRIQHSA-N 1 1 304.390 3.213 20 5 DGBDMO CC(C)c1[nH+]ccn1CCNc1ncc(Cl)cc1[N+](=O)[O-] ZINC000895987261 618857623 /nfs/dbraw/zinc/85/76/23/618857623.db2.gz CVDSVEUDYVFPIR-UHFFFAOYSA-N 1 1 309.757 3.075 20 5 DGBDMO Cc1c([C@H](C)[NH2+][C@@H]2Cc3ccccc3[C@H]2N)cccc1[N+](=O)[O-] ZINC000902437047 619635765 /nfs/dbraw/zinc/63/57/65/619635765.db2.gz GZGVXRWLVAPGGV-BJOOFOGMSA-N 1 1 311.385 3.179 20 5 DGBDMO Cn1c[nH+]cc1CCCOc1cc(Cl)c([N+](=O)[O-])cc1F ZINC000902616620 619658789 /nfs/dbraw/zinc/65/87/89/619658789.db2.gz DXDCLFMRVHCCHL-UHFFFAOYSA-N 1 1 313.716 3.132 20 5 DGBDMO Cc1ccc([C@H](C)[NH2+][C@@H](c2nncn2C)C(C)C)cc1[N+](=O)[O-] ZINC000903060988 619708164 /nfs/dbraw/zinc/70/81/64/619708164.db2.gz JCKPVWZWOBBNPC-SWLSCSKDSA-N 1 1 317.393 3.080 20 5 DGBDMO Cc1ccc([N+](=O)[O-])cc1[C@H](C)[NH2+][C@H](c1nncn1C)C(C)C ZINC000903060932 619708343 /nfs/dbraw/zinc/70/83/43/619708343.db2.gz IKXAGMHFUPSAEK-WFASDCNBSA-N 1 1 317.393 3.080 20 5 DGBDMO CSc1ccc([N+](=O)[O-])cc1[C@H](C)N[C@@H]1CC[N@H+](C)[C@@H]1C ZINC000903301628 619753811 /nfs/dbraw/zinc/75/38/11/619753811.db2.gz SCXUVNVYJVKBCX-MISXGVKJSA-N 1 1 309.435 3.060 20 5 DGBDMO CSc1ccc([N+](=O)[O-])cc1[C@H](C)N[C@@H]1CC[N@@H+](C)[C@@H]1C ZINC000903301628 619753813 /nfs/dbraw/zinc/75/38/13/619753813.db2.gz SCXUVNVYJVKBCX-MISXGVKJSA-N 1 1 309.435 3.060 20 5 DGBDMO COc1cc([C@H](C)[NH2+][C@H](C)c2cncs2)cc([N+](=O)[O-])c1 ZINC000903305744 619756427 /nfs/dbraw/zinc/75/64/27/619756427.db2.gz OXLISYZQVQLJLZ-VHSXEESVSA-N 1 1 307.375 3.472 20 5 DGBDMO Cc1ccc(-c2noc(C[N@H+](C)CC(C)(C)C)n2)cc1[N+](=O)[O-] ZINC000903981150 619849184 /nfs/dbraw/zinc/84/91/84/619849184.db2.gz GCRDDZUFRKUOAU-UHFFFAOYSA-N 1 1 318.377 3.431 20 5 DGBDMO Cc1ccc([N+](=O)[O-])c(C)c1NC(=O)[C@@H]1CC[N@@H+]1C(C)(C)C ZINC000908268217 620197184 /nfs/dbraw/zinc/19/71/84/620197184.db2.gz MEDICRPVDIAMGI-ZDUSSCGKSA-N 1 1 305.378 3.023 20 5 DGBDMO Cc1ccc([N+](=O)[O-])c(C)c1NC(=O)[C@@H]1CC[N@H+]1C(C)(C)C ZINC000908268217 620197186 /nfs/dbraw/zinc/19/71/86/620197186.db2.gz MEDICRPVDIAMGI-ZDUSSCGKSA-N 1 1 305.378 3.023 20 5 DGBDMO CCc1[nH]nc(Cl)c1C[NH2+]Cc1cccc([N+](=O)[O-])c1C ZINC000922048737 620983154 /nfs/dbraw/zinc/98/31/54/620983154.db2.gz MESJTWQTMUTNCQ-UHFFFAOYSA-N 1 1 308.769 3.132 20 5 DGBDMO Cc1nn(C[N@@H+]2C[C@@H](c3ccccc3)C[C@@H]2C)c(C)c1[N+](=O)[O-] ZINC000115512808 621116723 /nfs/dbraw/zinc/11/67/23/621116723.db2.gz BCUWTYPGKNETJA-LRDDRELGSA-N 1 1 314.389 3.244 20 5 DGBDMO O=[N+]([O-])c1ccc(C[NH2+][C@H]2CCc3ccc(Cl)nc32)cc1 ZINC000857906530 621130195 /nfs/dbraw/zinc/13/01/95/621130195.db2.gz YIPOOFBQNSSIRQ-ZDUSSCGKSA-N 1 1 303.749 3.420 20 5 DGBDMO O=[N+]([O-])c1ccc(C[N@H+](Cc2ccnc(F)c2)C2CC2)cc1 ZINC000859219201 621261590 /nfs/dbraw/zinc/26/15/90/621261590.db2.gz RTYTTYAPJVDZJW-UHFFFAOYSA-N 1 1 301.321 3.294 20 5 DGBDMO O=[N+]([O-])c1ccc(C[N@@H+](Cc2ccnc(F)c2)C2CC2)cc1 ZINC000859219201 621261593 /nfs/dbraw/zinc/26/15/93/621261593.db2.gz RTYTTYAPJVDZJW-UHFFFAOYSA-N 1 1 301.321 3.294 20 5 DGBDMO O=C(O[C@H]1CC[N@H+]2CCC[C@H]2C1)c1ccc(Cl)cc1[N+](=O)[O-] ZINC000788114735 621275766 /nfs/dbraw/zinc/27/57/66/621275766.db2.gz IEJXKGCYPVWFBM-RYUDHWBXSA-N 1 1 324.764 3.032 20 5 DGBDMO O=C(O[C@@H]1CC[N@H+]2CCC[C@@H]2C1)c1ccc(Cl)cc1[N+](=O)[O-] ZINC000788114737 621275921 /nfs/dbraw/zinc/27/59/21/621275921.db2.gz IEJXKGCYPVWFBM-VXGBXAGGSA-N 1 1 324.764 3.032 20 5 DGBDMO O=[N+]([O-])c1cccc(C[N@@H+]2CCC[C@@](O)(c3ccccc3)C2)c1 ZINC000859585347 621295205 /nfs/dbraw/zinc/29/52/05/621295205.db2.gz NYEMQAUNIRUIQT-SFHVURJKSA-N 1 1 312.369 3.078 20 5 DGBDMO O=[N+]([O-])c1ccc(Cl)cc1C[N@H+]1CCC[C@@H]2COCC[C@@H]21 ZINC000756902439 621671607 /nfs/dbraw/zinc/67/16/07/621671607.db2.gz SNRLBVPWDFRDHH-RISCZKNCSA-N 1 1 310.781 3.249 20 5 DGBDMO O=[N+]([O-])c1ccc(Cl)c(C[N@H+]2CCC[C@@H]3COCC[C@@H]32)c1 ZINC000756903082 621672026 /nfs/dbraw/zinc/67/20/26/621672026.db2.gz ZIISGRHOSMQKKK-ABAIWWIYSA-N 1 1 310.781 3.249 20 5 DGBDMO CC(C)CO[C@H]1CC[N@H+](Cc2cc(Cl)ccc2[N+](=O)[O-])C1 ZINC000119618173 621706674 /nfs/dbraw/zinc/70/66/74/621706674.db2.gz VARKNURIFRJWSH-AWEZNQCLSA-N 1 1 312.797 3.495 20 5 DGBDMO CC(C)CO[C@H]1CC[N@@H+](Cc2cc(Cl)ccc2[N+](=O)[O-])C1 ZINC000119618173 621706675 /nfs/dbraw/zinc/70/66/75/621706675.db2.gz VARKNURIFRJWSH-AWEZNQCLSA-N 1 1 312.797 3.495 20 5 DGBDMO C[C@@H]1C[N@H+](C2CC2)C[C@@H]1Nc1nc2ccc([N+](=O)[O-])cc2s1 ZINC000757797335 621740252 /nfs/dbraw/zinc/74/02/52/621740252.db2.gz VINCTHCUNHZYHP-RNCFNFMXSA-N 1 1 318.402 3.099 20 5 DGBDMO C[C@@H]1CC[N@@H+](Cn2ncc3cc([N+](=O)[O-])ccc32)CC1(C)C ZINC000758998508 621817385 /nfs/dbraw/zinc/81/73/85/621817385.db2.gz CMIYPTIHXONEGE-GFCCVEGCSA-N 1 1 302.378 3.270 20 5 DGBDMO O=[N+]([O-])c1ccc2c(cnn2C[N@H+]2CC[C@H](c3ccccc3)C2)c1 ZINC000120273635 621823362 /nfs/dbraw/zinc/82/33/62/621823362.db2.gz GFKLWXHBYLQRDF-HNNXBMFYSA-N 1 1 322.368 3.392 20 5 DGBDMO CCc1[nH+]c(C)cn1Cc1cc([N+](=O)[O-])ccc1OC(C)C ZINC000865392467 621908294 /nfs/dbraw/zinc/90/82/94/621908294.db2.gz IQGMHDYPHLMZOV-UHFFFAOYSA-N 1 1 303.362 3.498 20 5 DGBDMO CC[C@@]1(C)CC[N@@H+](Cn2nc(C)c3ccc([N+](=O)[O-])cc32)C1 ZINC000761294109 621999732 /nfs/dbraw/zinc/99/97/32/621999732.db2.gz VVEYSZWMCFOXJV-INIZCTEOSA-N 1 1 302.378 3.332 20 5 DGBDMO CO[C@H](C)C[N@@H+](Cc1ccc([N+](=O)[O-])c(Cl)c1)C(C)C ZINC000761512370 622013615 /nfs/dbraw/zinc/01/36/15/622013615.db2.gz RNOMZLQIGAKVQT-LLVKDONJSA-N 1 1 300.786 3.494 20 5 DGBDMO C[C@H](Cc1ccc(F)cc1[N+](=O)[O-])[NH2+][C@H]1CCCC1(F)F ZINC000866355877 622101918 /nfs/dbraw/zinc/10/19/18/622101918.db2.gz GAJSRUMRDBXDOQ-RNCFNFMXSA-N 1 1 302.296 3.442 20 5 DGBDMO Cc1ccc(C[NH2+][C@H](C)c2cc3n(n2)CCCC3)cc1[N+](=O)[O-] ZINC000866541110 622135417 /nfs/dbraw/zinc/13/54/17/622135417.db2.gz WPHHVORDLFJWCQ-CYBMUJFWSA-N 1 1 314.389 3.287 20 5 DGBDMO Cc1nn(C[N@H+]2CCCC(C)(C)C2)c2ccc([N+](=O)[O-])cc12 ZINC000764994785 622238560 /nfs/dbraw/zinc/23/85/60/622238560.db2.gz IDBDYRDOUHOFGM-UHFFFAOYSA-N 1 1 302.378 3.332 20 5 DGBDMO CC[N@H+]1C[C@H](C)N(c2nc3ccc([N+](=O)[O-])cc3s2)C[C@H]1C ZINC000765635913 622278872 /nfs/dbraw/zinc/27/88/72/622278872.db2.gz NWLGHJAXZCKPJW-MNOVXSKESA-N 1 1 320.418 3.123 20 5 DGBDMO C[C@@H]1CC[N@@H+](Cn2cc(-c3ccc([N+](=O)[O-])cc3)cn2)C[C@H]1C ZINC000766380670 622325683 /nfs/dbraw/zinc/32/56/83/622325683.db2.gz KAYDNQINTLDDFQ-ZIAGYGMSSA-N 1 1 314.389 3.394 20 5 DGBDMO Cc1[nH+]ccn1CCCOC(=O)c1cccc(Cl)c1[N+](=O)[O-] ZINC000767651858 622411148 /nfs/dbraw/zinc/41/11/48/622411148.db2.gz MMEZNXKXTSKBQZ-UHFFFAOYSA-N 1 1 323.736 3.000 20 5 DGBDMO C[C@H]1CC[N@@H+](Cn2ncc3cc([N+](=O)[O-])ccc32)CC12CCC2 ZINC000770672171 622659858 /nfs/dbraw/zinc/65/98/58/622659858.db2.gz ZEWMUFOLAIQCLA-ZDUSSCGKSA-N 1 1 314.389 3.414 20 5 DGBDMO C[C@H](N[C@@H]1CC[N@H+]2CCC[C@H]2C1)c1c(F)cccc1[N+](=O)[O-] ZINC000872025220 622759068 /nfs/dbraw/zinc/75/90/68/622759068.db2.gz IKUVZCXBDHZCGR-XQQFMLRXSA-N 1 1 307.369 3.011 20 5 DGBDMO CSc1ccc([N+](=O)[O-])cc1[C@@H](C)[NH2+]Cc1c[nH]nc1C ZINC000872047479 622773400 /nfs/dbraw/zinc/77/34/00/622773400.db2.gz DODKRMBNZAOVFX-SNVBAGLBSA-N 1 1 306.391 3.199 20 5 DGBDMO CCOC(=O)C1=CC[C@H]([NH2+][C@H](C)c2c(F)cccc2[N+](=O)[O-])C1 ZINC000872089736 622798861 /nfs/dbraw/zinc/79/88/61/622798861.db2.gz CXGYFUUPSPDPQX-PWSUYJOCSA-N 1 1 322.336 3.036 20 5 DGBDMO C[C@@H](NC[C@@H]1CC[N@H+]1C1CCCC1)c1c(F)cccc1[N+](=O)[O-] ZINC000872089792 622800044 /nfs/dbraw/zinc/80/00/44/622800044.db2.gz FGSIXEFTDRVYQL-OCCSQVGLSA-N 1 1 321.396 3.401 20 5 DGBDMO C[C@@H]([NH2+]C[C@@H]1CCN1C1CCCC1)c1c(F)cccc1[N+](=O)[O-] ZINC000872089792 622800050 /nfs/dbraw/zinc/80/00/50/622800050.db2.gz FGSIXEFTDRVYQL-OCCSQVGLSA-N 1 1 321.396 3.401 20 5 DGBDMO O=[N+]([O-])c1cccc([C@H](O)C[NH2+][C@H](CF)c2ccc(F)cc2)c1 ZINC000872236692 622864337 /nfs/dbraw/zinc/86/43/37/622864337.db2.gz SZNTXDMSJQGYNL-HZPDHXFCSA-N 1 1 322.311 3.068 20 5 DGBDMO Cc1ccc([N+](=O)[O-])c(C)c1C[N@H+]1CCO[C@H](C(F)F)CC1 ZINC000872253830 622867971 /nfs/dbraw/zinc/86/79/71/622867971.db2.gz KLBVPTWSHLJXNS-AWEZNQCLSA-N 1 1 314.332 3.068 20 5 DGBDMO Cc1ccc([N+](=O)[O-])c(C)c1C[NH2+]Cc1cn2ccsc2n1 ZINC000873024127 623019650 /nfs/dbraw/zinc/01/96/50/623019650.db2.gz HUXXIHINUHNDJU-UHFFFAOYSA-N 1 1 316.386 3.211 20 5 DGBDMO Cc1ccc([N+](=O)[O-])c(C)c1CNC1C[C@H]2CCC[C@@H](C1)[N@H+]2C ZINC000873063234 623029006 /nfs/dbraw/zinc/02/90/06/623029006.db2.gz ODLYNXPFTKZSFU-MQVJKMGUSA-N 1 1 317.433 3.317 20 5 DGBDMO Cc1ccc([N+](=O)[O-])c(C)c1CNC1C[C@H]2CCC[C@@H](C1)[N@@H+]2C ZINC000873063234 623029008 /nfs/dbraw/zinc/02/90/08/623029008.db2.gz ODLYNXPFTKZSFU-MQVJKMGUSA-N 1 1 317.433 3.317 20 5 DGBDMO Cc1ccc([N+](=O)[O-])c(C)c1C[NH2+][C@H]1C[C@@H](C)n2ccnc21 ZINC000873129912 623042562 /nfs/dbraw/zinc/04/25/62/623042562.db2.gz UAIAHTGBPDUHJV-RISCZKNCSA-N 1 1 300.362 3.204 20 5 DGBDMO COc1ccc(C[NH2+][C@H](C)c2ccccc2[N+](=O)[O-])cc1O ZINC000873184644 623066234 /nfs/dbraw/zinc/06/62/34/623066234.db2.gz VRCMAYTVMJTEDD-LLVKDONJSA-N 1 1 302.330 3.160 20 5 DGBDMO CC(C)C[C@H](CO)[N@@H+](C)Cc1ccc(Cl)c([N+](=O)[O-])c1 ZINC000775753375 623325355 /nfs/dbraw/zinc/32/53/55/623325355.db2.gz GWSIAYMGYVHCMM-GFCCVEGCSA-N 1 1 300.786 3.087 20 5 DGBDMO C[N@H+](Cc1ccccc1Cl)C[C@@H](O)c1ccc([N+](=O)[O-])cc1 ZINC000776272494 623405302 /nfs/dbraw/zinc/40/53/02/623405302.db2.gz UIWSXQMIZSANET-MRXNPFEDSA-N 1 1 320.776 3.414 20 5 DGBDMO O=[N+]([O-])c1ccc([C@H](O)C[N@H+]2CCC[C@H]2C2CCCC2)cc1 ZINC000776276879 623406076 /nfs/dbraw/zinc/40/60/76/623406076.db2.gz KYVYKQIDGKMLMI-DLBZAZTESA-N 1 1 304.390 3.283 20 5 DGBDMO O=[N+]([O-])c1ccc([C@H](O)C[N@H+]2CCCc3sccc3C2)cc1 ZINC000776583333 623442898 /nfs/dbraw/zinc/44/28/98/623442898.db2.gz ZYZFEDPBCDVUMG-OAHLLOKOSA-N 1 1 318.398 3.138 20 5 DGBDMO C[C@@H](c1ccco1)[N@@H+](C[C@@H](O)c1ccc([N+](=O)[O-])cc1)C1CC1 ZINC000776590083 623444142 /nfs/dbraw/zinc/44/41/42/623444142.db2.gz BYXTZSXXANYEPB-BLLLJJGKSA-N 1 1 316.357 3.447 20 5 DGBDMO C[C@H]1CCC[N@@H+](Cn2cc(-c3cccc([N+](=O)[O-])c3)cn2)C1 ZINC000777950128 623588918 /nfs/dbraw/zinc/58/89/18/623588918.db2.gz HCLUKHBRZUZAEA-ZDUSSCGKSA-N 1 1 300.362 3.148 20 5 DGBDMO C[N@H+](Cc1cc(Cl)ccc1[N+](=O)[O-])C[C@@H]1CCCC[C@@H]1O ZINC000778245436 623631663 /nfs/dbraw/zinc/63/16/63/623631663.db2.gz LPEHYJWEUXMUHO-NHYWBVRUSA-N 1 1 312.797 3.231 20 5 DGBDMO Cc1ccc([N+](=O)[O-])c(C)c1C[N@H+]1CCC[C@@H]1[C@H]1CCCO1 ZINC000877507549 623916033 /nfs/dbraw/zinc/91/60/33/623916033.db2.gz PECBBRQJXSCPKQ-IAGOWNOFSA-N 1 1 304.390 3.355 20 5 DGBDMO O=[N+]([O-])c1ccccc1/C=C\C[N@H+]1CC[C@@H]2CSC[C@H]2C1 ZINC000877741469 624014028 /nfs/dbraw/zinc/01/40/28/624014028.db2.gz VWSKWCAIFAWCQF-OGCZOTBESA-N 1 1 304.415 3.293 20 5 DGBDMO CC(C)(O)C1CC[NH+](Cc2ccc([N+](=O)[O-])c(Cl)c2)CC1 ZINC000877754015 624019911 /nfs/dbraw/zinc/01/99/11/624019911.db2.gz QVTKBBRXEVLELM-UHFFFAOYSA-N 1 1 312.797 3.231 20 5 DGBDMO CC(C)(O)[C@@H]1CCC[N@@H+](Cc2cc([N+](=O)[O-])ccc2Cl)C1 ZINC000877797040 624038619 /nfs/dbraw/zinc/03/86/19/624038619.db2.gz OUVOLNZNAHETQG-GFCCVEGCSA-N 1 1 312.797 3.231 20 5 DGBDMO C[C@]1(C(F)(F)F)CC[N@@H+](CCc2ccc([N+](=O)[O-])cc2)C1 ZINC000877812197 624044896 /nfs/dbraw/zinc/04/48/96/624044896.db2.gz JCEDYEBMPMVTPB-ZDUSSCGKSA-N 1 1 302.296 3.412 20 5 DGBDMO C[C@@H]1C[N@H+](Cc2cccc([N+](=O)[O-])c2)CC[C@H](C(F)(F)F)O1 ZINC000877823605 624055957 /nfs/dbraw/zinc/05/59/57/624055957.db2.gz MRLAYGCYKZVNQP-ZWNOBZJWSA-N 1 1 318.295 3.137 20 5 DGBDMO C[C@@H]1C[N@@H+](Cc2cccc([N+](=O)[O-])c2)CC[C@H](C(F)(F)F)O1 ZINC000877823605 624055959 /nfs/dbraw/zinc/05/59/59/624055959.db2.gz MRLAYGCYKZVNQP-ZWNOBZJWSA-N 1 1 318.295 3.137 20 5 DGBDMO C[C@H]1C[N@H+](Cc2ccccc2[N+](=O)[O-])CC[C@@H](C(F)(F)F)O1 ZINC000877824688 624057497 /nfs/dbraw/zinc/05/74/97/624057497.db2.gz UNDSUSAYVKWLAQ-GWCFXTLKSA-N 1 1 318.295 3.137 20 5 DGBDMO C[C@H]1C[N@@H+](Cc2ccccc2[N+](=O)[O-])CC[C@@H](C(F)(F)F)O1 ZINC000877824688 624057504 /nfs/dbraw/zinc/05/75/04/624057504.db2.gz UNDSUSAYVKWLAQ-GWCFXTLKSA-N 1 1 318.295 3.137 20 5 DGBDMO C[C@@H]1CC[N@@H+](Cc2nnc(-c3ccccc3[N+](=O)[O-])o2)C[C@@H]1C ZINC000878332383 624247311 /nfs/dbraw/zinc/24/73/11/624247311.db2.gz NYBBQKQTRCANIP-NEPJUHHUSA-N 1 1 316.361 3.123 20 5 DGBDMO C[C@H]1C[C@H](C)[NH+]1Cc1nnc(-c2ccc(Cl)cc2[N+](=O)[O-])o1 ZINC000878532552 624300338 /nfs/dbraw/zinc/30/03/38/624300338.db2.gz FUFNPUHXSNJIOA-IUCAKERBSA-N 1 1 322.752 3.281 20 5 DGBDMO C[N@@H+](CCc1ccccc1[N+](=O)[O-])C[C@H]1CC2(CCC2)CO1 ZINC000878598370 624318114 /nfs/dbraw/zinc/31/81/14/624318114.db2.gz FOTCVXMLPGZISP-OAHLLOKOSA-N 1 1 304.390 3.028 20 5 DGBDMO CO[C@H]1C[C@@H](C[N@H+]2CCC[C@@H](c3ccc([N+](=O)[O-])cc3)C2)C1 ZINC000878679305 624338286 /nfs/dbraw/zinc/33/82/86/624338286.db2.gz YUJRGFIZSZHUMV-UNEWFSDZSA-N 1 1 304.390 3.199 20 5 DGBDMO CCC[N@@H+](Cc1ccc([N+](=O)[O-])c(Cl)c1)CC(C)(C)O ZINC000783558951 624365560 /nfs/dbraw/zinc/36/55/60/624365560.db2.gz MCASYHWXIFECFT-UHFFFAOYSA-N 1 1 300.786 3.231 20 5 DGBDMO O=[N+]([O-])c1ccc(C[N@H+]2CC[C@H]([C@@H]3CCOC3)C2)cc1Cl ZINC000783572569 624368232 /nfs/dbraw/zinc/36/82/32/624368232.db2.gz KAZOKKYQQHIEMU-QWHCGFSZSA-N 1 1 310.781 3.107 20 5 DGBDMO O=[N+]([O-])c1ccccc1-c1nnc(C[N@@H+]2C[C@@H]3CCCC[C@@H]32)o1 ZINC000878849262 624371945 /nfs/dbraw/zinc/37/19/45/624371945.db2.gz ICTJLLTVWAULLV-AAEUAGOBSA-N 1 1 314.345 3.019 20 5 DGBDMO O=[N+]([O-])c1ccccc1-c1nnc(C[N@H+]2C[C@@H]3CCCC[C@@H]32)o1 ZINC000878849262 624371950 /nfs/dbraw/zinc/37/19/50/624371950.db2.gz ICTJLLTVWAULLV-AAEUAGOBSA-N 1 1 314.345 3.019 20 5 DGBDMO C[C@H](C(=O)O[C@@H](C)c1ccccc1[N+](=O)[O-])[N@@H+]1[C@H](C)CC[C@@H]1C ZINC000783776789 624395262 /nfs/dbraw/zinc/39/52/62/624395262.db2.gz MOQPKQHMYBLNAR-RQJABVFESA-N 1 1 320.389 3.460 20 5 DGBDMO C[C@H](CO)[N@@H+](Cc1cc(Cl)ccc1[N+](=O)[O-])C1CCCC1 ZINC000805752098 624396595 /nfs/dbraw/zinc/39/65/95/624396595.db2.gz XYOKYJKLIAJQQZ-LLVKDONJSA-N 1 1 312.797 3.374 20 5 DGBDMO Cc1nn(C[N@@H+](C)C[C@@H]2CC=CCC2)c2ccc([N+](=O)[O-])cc12 ZINC000784008769 624419861 /nfs/dbraw/zinc/41/98/61/624419861.db2.gz HYHWKTUXVBDWQE-CQSZACIVSA-N 1 1 314.389 3.499 20 5 DGBDMO C[NH+]1CCC2(CCN(Cc3cc(F)ccc3[N+](=O)[O-])CC2)CC1 ZINC000879247933 624464108 /nfs/dbraw/zinc/46/41/08/624464108.db2.gz HDVBDTQHBVUFCA-UHFFFAOYSA-N 1 1 321.396 3.042 20 5 DGBDMO Cc1[nH+]ccn1CCOC(=O)c1ccc(C(C)C)c([N+](=O)[O-])c1 ZINC000784256341 624466748 /nfs/dbraw/zinc/46/67/48/624466748.db2.gz IUCIPSANCPURCK-UHFFFAOYSA-N 1 1 317.345 3.080 20 5 DGBDMO O=[N+]([O-])c1cc(C[N@@H+]2CC[C@H](O)[C@H]3CCCC[C@@H]32)ccc1Cl ZINC000879418388 624540885 /nfs/dbraw/zinc/54/08/85/624540885.db2.gz HKSALSNBPQSKCT-NOLJZWGESA-N 1 1 324.808 3.374 20 5 DGBDMO C[C@]1(C(F)(F)F)CC[N@@H+](CCOc2ccccc2[N+](=O)[O-])C1 ZINC000879999582 624745774 /nfs/dbraw/zinc/74/57/74/624745774.db2.gz FOMCIWULGQOLTJ-ZDUSSCGKSA-N 1 1 318.295 3.248 20 5 DGBDMO Cc1csc([C@H]2CC[N@@H+](Cc3c(F)cccc3[N+](=O)[O-])C2)n1 ZINC000880011087 624752340 /nfs/dbraw/zinc/75/23/40/624752340.db2.gz LPVCPWCSGKPISA-NSHDSACASA-N 1 1 321.377 3.488 20 5 DGBDMO C[C@H](c1cccc([N+](=O)[O-])c1)[N@@H+]1CCO[C@H](C(F)(F)F)CC1 ZINC000880042987 624764071 /nfs/dbraw/zinc/76/40/71/624764071.db2.gz BHGHPJROYWJXOB-MFKMUULPSA-N 1 1 318.295 3.309 20 5 DGBDMO C[C@H](c1cccc([N+](=O)[O-])c1)[N@H+]1CCO[C@H](C(F)(F)F)CC1 ZINC000880042987 624764074 /nfs/dbraw/zinc/76/40/74/624764074.db2.gz BHGHPJROYWJXOB-MFKMUULPSA-N 1 1 318.295 3.309 20 5 DGBDMO C[C@@H](c1cccc([N+](=O)[O-])c1)[N@@H+]1CCO[C@H](C(F)(F)F)CC1 ZINC000880042985 624764310 /nfs/dbraw/zinc/76/43/10/624764310.db2.gz BHGHPJROYWJXOB-GWCFXTLKSA-N 1 1 318.295 3.309 20 5 DGBDMO C[C@@H](c1cccc([N+](=O)[O-])c1)[N@H+]1CCO[C@H](C(F)(F)F)CC1 ZINC000880042985 624764314 /nfs/dbraw/zinc/76/43/14/624764314.db2.gz BHGHPJROYWJXOB-GWCFXTLKSA-N 1 1 318.295 3.309 20 5 DGBDMO C[C@@H](c1nnc(-c2ccc([N+](=O)[O-])cc2)o1)[NH+]1CCC(F)CC1 ZINC000880240998 624863629 /nfs/dbraw/zinc/86/36/29/624863629.db2.gz CBLXYIZVIWPRHR-JTQLQIEISA-N 1 1 320.324 3.140 20 5 DGBDMO CO[C@]1(C(F)(F)F)CC[N@@H+]([C@@H](C)c2cccc([N+](=O)[O-])c2)C1 ZINC000880301851 624902401 /nfs/dbraw/zinc/90/24/01/624902401.db2.gz AEDXGZDCKIJSNG-GXFFZTMASA-N 1 1 318.295 3.309 20 5 DGBDMO CO[C@]1(C(F)(F)F)CC[N@H+]([C@@H](C)c2cccc([N+](=O)[O-])c2)C1 ZINC000880301851 624902404 /nfs/dbraw/zinc/90/24/04/624902404.db2.gz AEDXGZDCKIJSNG-GXFFZTMASA-N 1 1 318.295 3.309 20 5 DGBDMO C[C@@H]1c2sccc2CC[N@@H+]1C[C@H](O)c1ccc([N+](=O)[O-])cc1 ZINC000880376971 624943044 /nfs/dbraw/zinc/94/30/44/624943044.db2.gz NCKOTICJXLEKTN-ABAIWWIYSA-N 1 1 318.398 3.309 20 5 DGBDMO CC[N@H+]1CCCC[C@@H]1CNc1ccc([N+](=O)[O-])cc1C(C)=O ZINC000786805158 624954778 /nfs/dbraw/zinc/95/47/78/624954778.db2.gz LYJROIPZSCBSTJ-CQSZACIVSA-N 1 1 305.378 3.084 20 5 DGBDMO Cc1ccc([C@@H](C)[NH2+]Cc2cnc(Cl)cn2)cc1[N+](=O)[O-] ZINC000788490275 625195730 /nfs/dbraw/zinc/19/57/30/625195730.db2.gz ZTVSPXQFMFUAFY-SNVBAGLBSA-N 1 1 306.753 3.197 20 5 DGBDMO C[C@H](NC[C@H](C)[N@@H+]1CCCC[C@H]1C)c1ccc(N)c([N+](=O)[O-])c1 ZINC000788527744 625207521 /nfs/dbraw/zinc/20/75/21/625207521.db2.gz OZHUWYYUJBXQPR-RDBSUJKOSA-N 1 1 320.437 3.091 20 5 DGBDMO C[C@H](NC[C@H](C)[N@H+]1CCCC[C@H]1C)c1ccc(N)c([N+](=O)[O-])c1 ZINC000788527744 625207533 /nfs/dbraw/zinc/20/75/33/625207533.db2.gz OZHUWYYUJBXQPR-RDBSUJKOSA-N 1 1 320.437 3.091 20 5 DGBDMO C[C@H]1CCC[N@@H+]1CCN[C@H]1CC(C)(C)c2ccc([N+](=O)[O-])cc21 ZINC000788584246 625220184 /nfs/dbraw/zinc/22/01/84/625220184.db2.gz IGFKWCBHFVYCMG-GUYCJALGSA-N 1 1 317.433 3.391 20 5 DGBDMO C[C@H]1CCC[N@H+]1CCN[C@H]1CC(C)(C)c2ccc([N+](=O)[O-])cc21 ZINC000788584246 625220189 /nfs/dbraw/zinc/22/01/89/625220189.db2.gz IGFKWCBHFVYCMG-GUYCJALGSA-N 1 1 317.433 3.391 20 5 DGBDMO CC[C@@H]1CCCC[N@H+]1CCN[C@@H](C)c1ccc(N)c([N+](=O)[O-])c1 ZINC000788613413 625229504 /nfs/dbraw/zinc/22/95/04/625229504.db2.gz WQMISGCCHDYWRQ-DZGCQCFKSA-N 1 1 320.437 3.092 20 5 DGBDMO CC[C@@H]1CCCCN1CC[NH2+][C@@H](C)c1ccc(N)c([N+](=O)[O-])c1 ZINC000788613413 625229506 /nfs/dbraw/zinc/22/95/06/625229506.db2.gz WQMISGCCHDYWRQ-DZGCQCFKSA-N 1 1 320.437 3.092 20 5 DGBDMO O=[N+]([O-])c1ccccc1C[NH2+][C@@H]1CCc2ccc(Cl)nc21 ZINC000788652978 625234823 /nfs/dbraw/zinc/23/48/23/625234823.db2.gz UQNSSZAOZRBDOR-GFCCVEGCSA-N 1 1 303.749 3.420 20 5 DGBDMO O=[N+]([O-])c1ccc(C[NH2+]Cc2ccccc2[N+](=O)[O-])cc1Cl ZINC000131043411 625935950 /nfs/dbraw/zinc/93/59/50/625935950.db2.gz DTBWNNNWZBOJTJ-UHFFFAOYSA-N 1 1 321.720 3.446 20 5 DGBDMO CC(C)(C)[C@@H]1CCC[N@@H+](C[C@H](O)c2cccc([N+](=O)[O-])c2)C1 ZINC000796576058 626063339 /nfs/dbraw/zinc/06/33/39/626063339.db2.gz RLBQIPQMMFEPDN-ZBFHGGJFSA-N 1 1 306.406 3.386 20 5 DGBDMO C[N@H+]1CC[C@H](NCc2cc([N+](=O)[O-])ccc2Cl)[C@@H]2CCC[C@H]21 ZINC000796840404 626088729 /nfs/dbraw/zinc/08/87/29/626088729.db2.gz WWENWQIQBNJRRV-CWRNSKLLSA-N 1 1 323.824 3.211 20 5 DGBDMO COc1cc([N+](=O)[O-])ccc1CO[NH+]=C(N)C1CCCCC1 ZINC000797421434 626141869 /nfs/dbraw/zinc/14/18/69/626141869.db2.gz HGOFOMCLNPBRCD-UHFFFAOYSA-N 1 1 307.350 3.182 20 5 DGBDMO C[N@@H+](CCc1cccc([N+](=O)[O-])c1)Cc1ccc2c(c1)COC2 ZINC000801600695 626411662 /nfs/dbraw/zinc/41/16/62/626411662.db2.gz SYGPQKDCCGMFLD-UHFFFAOYSA-N 1 1 312.369 3.300 20 5 DGBDMO C[C@H](CNc1c([N+](=O)[O-])cccc1[N+](=O)[O-])[N@H+]1CCC[C@H](C)C1 ZINC000804349998 626672343 /nfs/dbraw/zinc/67/23/43/626672343.db2.gz SUVULSQGCUYFEV-NWDGAFQWSA-N 1 1 322.365 3.035 20 5 DGBDMO CC(=O)c1cc([N+](=O)[O-])ccc1NCCNc1cccc(C)[nH+]1 ZINC000804454728 626681968 /nfs/dbraw/zinc/68/19/68/626681968.db2.gz UKSUDYHCKVDBJZ-UHFFFAOYSA-N 1 1 314.345 3.025 20 5 DGBDMO Cc1cn2cc(Nc3c([N+](=O)[O-])cccc3[N+](=O)[O-])ccc2[nH+]1 ZINC000804466568 626683909 /nfs/dbraw/zinc/68/39/09/626683909.db2.gz DYUZRGQGURDEDH-UHFFFAOYSA-N 1 1 313.273 3.203 20 5 DGBDMO O=[N+]([O-])c1c(Cl)cc(Cl)cc1C[N@@H+](CCCO)C1CC1 ZINC000809947767 626962059 /nfs/dbraw/zinc/96/20/59/626962059.db2.gz OJVDJUIMLHNIFL-UHFFFAOYSA-N 1 1 319.188 3.248 20 5 DGBDMO O=[N+]([O-])c1c(Cl)cc(Cl)cc1C[N@H+](CCCO)C1CC1 ZINC000809947767 626962061 /nfs/dbraw/zinc/96/20/61/626962061.db2.gz OJVDJUIMLHNIFL-UHFFFAOYSA-N 1 1 319.188 3.248 20 5 DGBDMO CCC[N@@H+](CC)C[C@@H](C)NCc1cc(Cl)ccc1[N+](=O)[O-] ZINC000810179989 626984941 /nfs/dbraw/zinc/98/49/41/626984941.db2.gz KTKZKKZMKQZGRJ-GFCCVEGCSA-N 1 1 313.829 3.458 20 5 DGBDMO Cc1ccc(NC(=O)[C@]2(F)CC[N@H+](C(C)(C)C)C2)cc1[N+](=O)[O-] ZINC000810557015 627016268 /nfs/dbraw/zinc/01/62/68/627016268.db2.gz BUVGBENOHMYXKT-INIZCTEOSA-N 1 1 323.368 3.054 20 5 DGBDMO CC(C)[N@H+](Cc1ccc([N+](=O)[O-])cc1)C[C@@H]1C[C@@]12CCOC2 ZINC000885965903 627072521 /nfs/dbraw/zinc/07/25/21/627072521.db2.gz YAXLLUKKQSHDKT-DOTOQJQBSA-N 1 1 304.390 3.232 20 5 DGBDMO O=[N+]([O-])c1ncccc1C[N@H+]1CC[C@H](c2ccccc2F)C1 ZINC000886002190 627080356 /nfs/dbraw/zinc/08/03/56/627080356.db2.gz SOJVNTOCHKDJAD-LBPRGKRZSA-N 1 1 301.321 3.118 20 5 DGBDMO C[C@@H]1[C@H](Cc2ccccc2)CC[N@H+]1Cc1cccnc1[N+](=O)[O-] ZINC000886030274 627088630 /nfs/dbraw/zinc/08/86/30/627088630.db2.gz IEBKZXXLRFZYCJ-ZBFHGGJFSA-N 1 1 311.385 3.443 20 5 DGBDMO O=[N+]([O-])c1cccc([C@@H](O)C[N@H+]2CCC[C@@H]2C2CCCC2)c1 ZINC000137008727 627104992 /nfs/dbraw/zinc/10/49/92/627104992.db2.gz XMFSMHUWUIJPEL-SJORKVTESA-N 1 1 304.390 3.283 20 5 DGBDMO C[C@@]1(c2ccc(F)cc2)CC[N@@H+](Cc2cccnc2[N+](=O)[O-])C1 ZINC000886184219 627118817 /nfs/dbraw/zinc/11/88/17/627118817.db2.gz WQVKBASPRKDJDY-QGZVFWFLSA-N 1 1 315.348 3.293 20 5 DGBDMO C[C@@]12CC[N@@H+](Cc3cccnc3[N+](=O)[O-])C[C@@H]1C2(Cl)Cl ZINC000886194040 627119661 /nfs/dbraw/zinc/11/96/61/627119661.db2.gz HSXVQQJWIQCROE-CMPLNLGQSA-N 1 1 316.188 3.006 20 5 DGBDMO Cc1noc(C[N@@H+]2C[C@@H]3CCC[C@]3(C(F)(F)F)C2)c1[N+](=O)[O-] ZINC000886618644 627174595 /nfs/dbraw/zinc/17/45/95/627174595.db2.gz GPSAHSZIUNRPCD-CABZTGNLSA-N 1 1 319.283 3.056 20 5 DGBDMO Cc1noc(C[N@H+]2C[C@@H]3CCC[C@]3(C(F)(F)F)C2)c1[N+](=O)[O-] ZINC000886618644 627174596 /nfs/dbraw/zinc/17/45/96/627174596.db2.gz GPSAHSZIUNRPCD-CABZTGNLSA-N 1 1 319.283 3.056 20 5 DGBDMO C[C@H](c1ccccc1[N+](=O)[O-])[N@H+]1CCC[C@H](c2ncccn2)C1 ZINC000886680692 627188360 /nfs/dbraw/zinc/18/83/60/627188360.db2.gz JYMDJRZEVZEBDN-KGLIPLIRSA-N 1 1 312.373 3.325 20 5 DGBDMO CC(C)OC(=O)C1CC[NH+]([C@@H](C)c2cccc([N+](=O)[O-])c2)CC1 ZINC000886721900 627197361 /nfs/dbraw/zinc/19/73/61/627197361.db2.gz NZXLYZSLDCUYDU-ZDUSSCGKSA-N 1 1 320.389 3.319 20 5 DGBDMO CC(C)OC(=O)C1CC[NH+]([C@@H](C)c2ccccc2[N+](=O)[O-])CC1 ZINC000886723769 627198008 /nfs/dbraw/zinc/19/80/08/627198008.db2.gz LODZJDISGDXVPZ-ZDUSSCGKSA-N 1 1 320.389 3.319 20 5 DGBDMO O=[N+]([O-])c1cc(C[N@H+]2CC[C@@H]([C@@H]3CCCO3)C2)ccc1Cl ZINC000886822580 627208346 /nfs/dbraw/zinc/20/83/46/627208346.db2.gz RVXRTQFUDYZEOL-DOMZBBRYSA-N 1 1 310.781 3.249 20 5 DGBDMO CCC[N@@H+](CC)C[C@H](C)Nc1ccc([N+](=O)[O-])cc1C(C)=O ZINC000811866786 627331659 /nfs/dbraw/zinc/33/16/59/627331659.db2.gz JGWUQZWFBDFQEJ-LBPRGKRZSA-N 1 1 307.394 3.330 20 5 DGBDMO Cc1cc(NC(=O)[C@]2(F)CC[N@H+](C(C)(C)C)C2)ccc1[N+](=O)[O-] ZINC000813145220 627458239 /nfs/dbraw/zinc/45/82/39/627458239.db2.gz HNTUIWSNAMFIGM-INIZCTEOSA-N 1 1 323.368 3.054 20 5 DGBDMO C[C@@H](NCC(C)(C)[NH+]1CCCCC1)c1ccc(N)c([N+](=O)[O-])c1 ZINC000815552566 627684361 /nfs/dbraw/zinc/68/43/61/627684361.db2.gz DZPBQAKHKIQETQ-CYBMUJFWSA-N 1 1 320.437 3.092 20 5 DGBDMO Cc1csc([C@@H](C)[NH2+][C@@H](C)c2ccc(N)c([N+](=O)[O-])c2)n1 ZINC000815574204 627686349 /nfs/dbraw/zinc/68/63/49/627686349.db2.gz HYKUEEPATDEAMR-VHSXEESVSA-N 1 1 306.391 3.354 20 5 DGBDMO O=[N+]([O-])c1ccccc1C[NH2+][C@@H]1CCc2c1nccc2Cl ZINC000925310538 627729020 /nfs/dbraw/zinc/72/90/20/627729020.db2.gz NAGACSYXHHHDKK-CYBMUJFWSA-N 1 1 303.749 3.420 20 5 DGBDMO O=[N+]([O-])c1ccc(C[NH2+][C@H]2CCc3c2nccc3Cl)cc1 ZINC000925310490 627729194 /nfs/dbraw/zinc/72/91/94/627729194.db2.gz BBRGHXDDHPLMGO-AWEZNQCLSA-N 1 1 303.749 3.420 20 5 DGBDMO CCc1onc(C)c1C[NH2+][C@@H](C)c1ccc([N+](=O)[O-])cc1OC ZINC000927136412 628024164 /nfs/dbraw/zinc/02/41/64/628024164.db2.gz ZWDSYGYJDNDMJS-JTQLQIEISA-N 1 1 319.361 3.313 20 5 DGBDMO C[C@@H]([NH2+]C1([C@@H]2CCCCO2)CC1)c1c(F)cccc1[N+](=O)[O-] ZINC000927159357 628028614 /nfs/dbraw/zinc/02/86/14/628028614.db2.gz NMANFUWCAIPORO-RISCZKNCSA-N 1 1 308.353 3.486 20 5 DGBDMO C[C@@H](NC(=O)[C@H](C)[N@@H+]1[C@H](C)CC[C@@H]1C)c1ccc([N+](=O)[O-])cc1 ZINC000928247536 628132539 /nfs/dbraw/zinc/13/25/39/628132539.db2.gz XBCKHMAEKRPPGA-RQJABVFESA-N 1 1 319.405 3.033 20 5 DGBDMO C[C@H]1[C@@H](NC(=O)c2cc3ccccc3c3cccnc23)CC[N@H+]1C ZINC000928458163 628152930 /nfs/dbraw/zinc/15/29/30/628152930.db2.gz RMPJJCIJLVTICW-UGSOOPFHSA-N 1 1 319.408 3.210 20 5 DGBDMO O=[N+]([O-])c1ccc(C[N@@H+]2CCC[C@@H]2[C@@H]2CCC[C@H]2O)cc1Cl ZINC000824721239 628687147 /nfs/dbraw/zinc/68/71/47/628687147.db2.gz ABXJVUNOZQMFHV-JGGQBBKZSA-N 1 1 324.808 3.374 20 5 DGBDMO CO[C@@H]1CC[N@H+](Cc2ccc([N+](=O)[O-])c(Cl)c2)CC1(C)C ZINC000824820537 628697558 /nfs/dbraw/zinc/69/75/58/628697558.db2.gz HJUZSRDYEYTYQF-CQSZACIVSA-N 1 1 312.797 3.495 20 5 DGBDMO CO[C@@H]1CC[N@@H+](Cc2ccc([N+](=O)[O-])c(Cl)c2)CC1(C)C ZINC000824820537 628697562 /nfs/dbraw/zinc/69/75/62/628697562.db2.gz HJUZSRDYEYTYQF-CQSZACIVSA-N 1 1 312.797 3.495 20 5 DGBDMO CC(C)(C)[N@@H+]1CC[C@@H]1CNCc1ccc([N+](=O)[O-])c(Cl)c1 ZINC000826790578 628887552 /nfs/dbraw/zinc/88/75/52/628887552.db2.gz KKMVBXWMTDRMEL-GFCCVEGCSA-N 1 1 311.813 3.211 20 5 DGBDMO CC(C)(C)[N@H+]1CC[C@@H]1CNCc1ccc([N+](=O)[O-])c(Cl)c1 ZINC000826790578 628887555 /nfs/dbraw/zinc/88/75/55/628887555.db2.gz KKMVBXWMTDRMEL-GFCCVEGCSA-N 1 1 311.813 3.211 20 5 DGBDMO C[C@@H]1CC2(C[N@H+]1Cc1ccc([N+](=O)[O-])c(F)c1)CCOCC2 ZINC000830603179 629287188 /nfs/dbraw/zinc/28/71/88/629287188.db2.gz KIKAOCXQQJSVNQ-GFCCVEGCSA-N 1 1 308.353 3.125 20 5 DGBDMO O=[N+]([O-])c1cccc([C@@H](O)C[N@H+]2CCCC[C@H]2C2CCC2)c1 ZINC000830988284 629327605 /nfs/dbraw/zinc/32/76/05/629327605.db2.gz JNBNGWALXYASIY-IRXDYDNUSA-N 1 1 304.390 3.283 20 5 DGBDMO CO[C@@H]1C[C@H]([N@@H+](C)Cc2ccc([N+](=O)[O-])c(F)c2)C12CCC2 ZINC000832209410 629450670 /nfs/dbraw/zinc/45/06/70/629450670.db2.gz HZXLDRCACPPYMF-LSDHHAIUSA-N 1 1 308.353 3.123 20 5 DGBDMO Cc1ccc(C[N@@H+](C)C[C@H](O)c2cccc([N+](=O)[O-])c2)cc1C ZINC000832633566 629501117 /nfs/dbraw/zinc/50/11/17/629501117.db2.gz FXSXXEZORZISSL-SFHVURJKSA-N 1 1 314.385 3.377 20 5 DGBDMO CC(C)(C)C[C@H]1CC[N@@H+](C[C@@H](O)c2ccc([N+](=O)[O-])cc2)C1 ZINC000832727677 629508191 /nfs/dbraw/zinc/50/81/91/629508191.db2.gz WLGVTWNPVSWRDB-CZUORRHYSA-N 1 1 306.406 3.386 20 5 DGBDMO CC(C)[C@@H]1C[N@@H+](C[C@H](O)c2cccc([N+](=O)[O-])c2)[C@H]1C(C)C ZINC000834387273 629702986 /nfs/dbraw/zinc/70/29/86/629702986.db2.gz DYUOWBUSYMGLEZ-ULQDDVLXSA-N 1 1 306.406 3.241 20 5 DGBDMO CC(C)[N@H+]1CCCC[C@@H]1COC(=O)c1ccc([N+](=O)[O-])s1 ZINC000837327131 630240800 /nfs/dbraw/zinc/24/08/00/630240800.db2.gz XAMXPYVCMLWMQN-LLVKDONJSA-N 1 1 312.391 3.076 20 5 DGBDMO CC(C)[N@H+]1CCCC[C@H]1COC(=O)c1cc([N+](=O)[O-])ccc1F ZINC000837440044 630257853 /nfs/dbraw/zinc/25/78/53/630257853.db2.gz KLODPLKTCOIGRX-ZDUSSCGKSA-N 1 1 324.352 3.154 20 5 DGBDMO CC(C)[N@H+]1CCCC[C@@H]1COC(=O)c1cc(F)ccc1[N+](=O)[O-] ZINC000837473437 630263679 /nfs/dbraw/zinc/26/36/79/630263679.db2.gz DNDZGWKFFLJFHI-CYBMUJFWSA-N 1 1 324.352 3.154 20 5 DGBDMO OC[C@@H]1C[N@@H+](Cc2c3ccccc3cc3ccccc32)CC[C@H]1O ZINC000840976487 630390500 /nfs/dbraw/zinc/39/05/00/630390500.db2.gz WWKZMHVBMSZUAQ-LAUBAEHRSA-N 1 1 321.420 3.168 20 5 DGBDMO O=[N+]([O-])c1ccc2c(c1)[C@@H]([NH2+][C@H]1CCn3ccnc31)CCCC2 ZINC000841753255 630462212 /nfs/dbraw/zinc/46/22/12/630462212.db2.gz FTBXSOXQYYWPCF-HOTGVXAUSA-N 1 1 312.373 3.293 20 5 DGBDMO CCCC(N)=[NH+]OCc1cc([N+](=O)[O-])ccc1C(F)(F)F ZINC000842027889 630480048 /nfs/dbraw/zinc/48/00/48/630480048.db2.gz GBCZRPLMOYZNIT-UHFFFAOYSA-N 1 1 305.256 3.412 20 5 DGBDMO C[C@@H](CO)C1CC[NH+](Cc2cc(Cl)ccc2[N+](=O)[O-])CC1 ZINC000844415910 630726900 /nfs/dbraw/zinc/72/69/00/630726900.db2.gz HPLDMBBDUTYMLD-NSHDSACASA-N 1 1 312.797 3.089 20 5 DGBDMO C[N@@H+](CCc1cccc([N+](=O)[O-])c1)Cc1cnc(Cl)c(F)c1 ZINC000846893387 631342805 /nfs/dbraw/zinc/34/28/05/631342805.db2.gz HTFAWBBIRKNPIF-UHFFFAOYSA-N 1 1 323.755 3.457 20 5 DGBDMO C[N@@H+](Cn1cc(-c2ccccc2[N+](=O)[O-])cn1)C1CCCC1 ZINC000848475824 631667208 /nfs/dbraw/zinc/66/72/08/631667208.db2.gz SIPBZLYAPKWLDE-UHFFFAOYSA-N 1 1 300.362 3.290 20 5 DGBDMO CC(=O)c1ccc([N+](=O)[O-])cc1N[C@H]1CCC[N@H+]2CCCC[C@H]12 ZINC000848785595 631748565 /nfs/dbraw/zinc/74/85/65/631748565.db2.gz MTOLTWCFMOIRQK-DOTOQJQBSA-N 1 1 317.389 3.226 20 5 DGBDMO CC(C)[N@@H+](CC[C@H]1COC(C)(C)O1)Cc1ccc([N+](=O)[O-])cc1 ZINC000851734977 632479249 /nfs/dbraw/zinc/47/92/49/632479249.db2.gz BXDAQKDZRVBKPG-INIZCTEOSA-N 1 1 322.405 3.347 20 5 DGBDMO Cc1noc(C[NH+]2CCC(c3ccc(F)cc3)CC2)c1[N+](=O)[O-] ZINC000851805608 632498655 /nfs/dbraw/zinc/49/86/55/632498655.db2.gz UZGNHLFNCZGQBZ-UHFFFAOYSA-N 1 1 319.336 3.410 20 5 DGBDMO CC1(C)OC[C@@H](CC[N@@H+](Cc2ccccc2[N+](=O)[O-])C2CC2)O1 ZINC000851861892 632510243 /nfs/dbraw/zinc/51/02/43/632510243.db2.gz TWEMDXSPDZKBFN-OAHLLOKOSA-N 1 1 320.389 3.101 20 5 DGBDMO CO[C@H](C[N@H+]1CCc2c(cccc2[N+](=O)[O-])C1)C1CCCC1 ZINC000851869563 632512113 /nfs/dbraw/zinc/51/21/13/632512113.db2.gz KOVPPDSTJNALKH-QGZVFWFLSA-N 1 1 304.390 3.158 20 5 DGBDMO Cc1noc(C[N@H+]2C[C@H](C)C[C@@H]2c2ccccc2)c1[N+](=O)[O-] ZINC000852047325 632544743 /nfs/dbraw/zinc/54/47/43/632544743.db2.gz ZQLAVZZCVCLBTK-BXUZGUMPSA-N 1 1 301.346 3.474 20 5 DGBDMO CO[C@@H]1CC[C@H]([N@H+]2CCC[C@H](c3ccc([N+](=O)[O-])cc3)C2)C1 ZINC000852135541 632561356 /nfs/dbraw/zinc/56/13/56/632561356.db2.gz PQDYURJSAFAYBU-BHYGNILZSA-N 1 1 304.390 3.342 20 5 DGBDMO CC[N@H+]1CCCN(Cc2cc(Cl)ccc2[N+](=O)[O-])[C@@H](C)C1 ZINC000852166037 632565644 /nfs/dbraw/zinc/56/56/44/632565644.db2.gz BNYGGQSYWSQKMO-LBPRGKRZSA-N 1 1 311.813 3.164 20 5 DGBDMO O=[N+]([O-])c1ccc([C@@H](O)C[N@H+]2CCC=C(c3ccccc3)C2)cc1 ZINC000792934167 660995245 /nfs/dbraw/zinc/99/52/45/660995245.db2.gz SXFMXMBEWKVBJS-IBGZPJMESA-N 1 1 324.380 3.418 20 5 DGBDMO CCCCC[N@H+](Cn1c(=O)oc2cccc([N+](=O)[O-])c21)C(C)C ZINC000794619307 661094624 /nfs/dbraw/zinc/09/46/24/661094624.db2.gz HVXJAWFHZKUHRR-UHFFFAOYSA-N 1 1 321.377 3.361 20 5 DGBDMO CCCCC[N@@H+](Cn1c(=O)oc2cccc([N+](=O)[O-])c21)C(C)C ZINC000794619307 661094627 /nfs/dbraw/zinc/09/46/27/661094627.db2.gz HVXJAWFHZKUHRR-UHFFFAOYSA-N 1 1 321.377 3.361 20 5 DGBDMO C[C@@H](CN1CCCCC1)[NH2+]Cc1ccc([N+](=O)[O-])cc1Cl ZINC000049963649 655628329 /nfs/dbraw/zinc/62/83/29/655628329.db2.gz UUMJZXJIBYLBHU-LBPRGKRZSA-N 1 1 311.813 3.212 20 5 DGBDMO C[C@@H]1CC[C@@H](c2ccccc2)[N@H+](Cn2cc([N+](=O)[O-])cn2)C1 ZINC000795700167 661168630 /nfs/dbraw/zinc/16/86/30/661168630.db2.gz HOWINFYDIKNDIK-CJNGLKHVSA-N 1 1 300.362 3.222 20 5 DGBDMO C[C@@H]1CC[C@@H](c2ccccc2)[N@@H+](Cn2cc([N+](=O)[O-])cn2)C1 ZINC000795700167 661168631 /nfs/dbraw/zinc/16/86/31/661168631.db2.gz HOWINFYDIKNDIK-CJNGLKHVSA-N 1 1 300.362 3.222 20 5 DGBDMO C[N@H+]1CCC[C@@H](CNc2cc(Cl)c(F)cc2[N+](=O)[O-])C1 ZINC000234342910 655719042 /nfs/dbraw/zinc/71/90/42/655719042.db2.gz UXQZOFFKZSETEG-VIFPVBQESA-N 1 1 301.749 3.141 20 5 DGBDMO O=[N+]([O-])c1cccc(F)c1C[N@@H+]1CC[C@H](Cc2nccs2)C1 ZINC000934334046 655768682 /nfs/dbraw/zinc/76/86/82/655768682.db2.gz OBLGQUDSKRQJBD-LLVKDONJSA-N 1 1 321.377 3.255 20 5 DGBDMO O=[N+]([O-])c1cccc(F)c1C[N@H+]1CC[C@H](Cc2nccs2)C1 ZINC000934334046 655768684 /nfs/dbraw/zinc/76/86/84/655768684.db2.gz OBLGQUDSKRQJBD-LLVKDONJSA-N 1 1 321.377 3.255 20 5 DGBDMO CC(C)CO[C@H]1CC[N@H+](Cc2cc([N+](=O)[O-])ccc2Cl)C1 ZINC000177415156 655924080 /nfs/dbraw/zinc/92/40/80/655924080.db2.gz SIMGRWCNGKNXLC-AWEZNQCLSA-N 1 1 312.797 3.495 20 5 DGBDMO CC(C)CO[C@H]1CC[N@@H+](Cc2cc([N+](=O)[O-])ccc2Cl)C1 ZINC000177415156 655924082 /nfs/dbraw/zinc/92/40/82/655924082.db2.gz SIMGRWCNGKNXLC-AWEZNQCLSA-N 1 1 312.797 3.495 20 5 DGBDMO C[C@H](c1ccc(F)nc1)[N@@H+](C)CCc1cccc([N+](=O)[O-])c1 ZINC000930354644 661274152 /nfs/dbraw/zinc/27/41/52/661274152.db2.gz RKJQDBCIYCTWDA-GFCCVEGCSA-N 1 1 303.337 3.364 20 5 DGBDMO Cc1nn(C[N@@H+](CC2CC2)C2CCCCC2)c(C)c1[N+](=O)[O-] ZINC000068878849 659967143 /nfs/dbraw/zinc/96/71/43/659967143.db2.gz CVIJEKDEQVFZIN-UHFFFAOYSA-N 1 1 306.410 3.410 20 5 DGBDMO C[NH2+]CCC1CCN(Cc2ccc([N+](=O)[O-])cc2Cl)CC1 ZINC000070189876 660040755 /nfs/dbraw/zinc/04/07/55/660040755.db2.gz HGVMKIXKJKVAER-UHFFFAOYSA-N 1 1 311.813 3.070 20 5 DGBDMO C[C@@H](c1ncccn1)[N@@H+]1CCC[C@@H](c2ccc([N+](=O)[O-])cc2)C1 ZINC000930637031 661417516 /nfs/dbraw/zinc/41/75/16/661417516.db2.gz KDBSUMHSYBCPEW-DZGCQCFKSA-N 1 1 312.373 3.325 20 5 DGBDMO C[C@@H](c1ncccn1)[N@H+]1CCC[C@@H](c2ccc([N+](=O)[O-])cc2)C1 ZINC000930637031 661417517 /nfs/dbraw/zinc/41/75/17/661417517.db2.gz KDBSUMHSYBCPEW-DZGCQCFKSA-N 1 1 312.373 3.325 20 5 DGBDMO O=[N+]([O-])c1ccc(C[NH+]2CCC(c3ncco3)CC2)c(F)c1 ZINC000931448705 661477131 /nfs/dbraw/zinc/47/71/31/661477131.db2.gz KVHVDWSJKXFDLB-UHFFFAOYSA-N 1 1 305.309 3.102 20 5 DGBDMO O=[N+]([O-])c1ccc(Br)c(C[N@@H+]2CC[C@@H](CF)C2)c1 ZINC000931688717 661498669 /nfs/dbraw/zinc/49/86/69/661498669.db2.gz LAXKUNJPFDAEJM-VIFPVBQESA-N 1 1 317.158 3.149 20 5 DGBDMO O=[N+]([O-])c1ccc(Br)c(C[N@H+]2CC[C@@H](CF)C2)c1 ZINC000931688717 661498671 /nfs/dbraw/zinc/49/86/71/661498671.db2.gz LAXKUNJPFDAEJM-VIFPVBQESA-N 1 1 317.158 3.149 20 5 DGBDMO COc1c(C)cnc(C[NH2+][C@H](C)c2ccc([N+](=O)[O-])cc2)c1C ZINC000932179883 661544910 /nfs/dbraw/zinc/54/49/10/661544910.db2.gz MUVITIKCAOTFNM-CYBMUJFWSA-N 1 1 315.373 3.466 20 5 DGBDMO C[C@@H](c1ccccc1)[C@@H]1CCC[N@H+]1Cc1cn(C)nc1[N+](=O)[O-] ZINC000932275370 661555452 /nfs/dbraw/zinc/55/54/52/661555452.db2.gz OXOFTKJHZBHBOP-BBRMVZONSA-N 1 1 314.389 3.096 20 5 DGBDMO C[C@H](c1ccccc1)[C@@H]1CCC[N@H+]1CCn1ccc([N+](=O)[O-])n1 ZINC000932277847 661556106 /nfs/dbraw/zinc/55/61/06/661556106.db2.gz LEPSFQHXNYFHMK-ZBFHGGJFSA-N 1 1 314.389 3.059 20 5 DGBDMO O=[N+]([O-])c1ccc(CC[N@H+]2CC[C@@H](Cc3nccs3)C2)cc1 ZINC000934333898 661698675 /nfs/dbraw/zinc/69/86/75/661698675.db2.gz RNCHCSVMOLDPCR-AWEZNQCLSA-N 1 1 317.414 3.158 20 5 DGBDMO CC1(C)C[N@@H+](C[C@H](O)c2ccc([N+](=O)[O-])cc2)[C@@H]2CCC[C@@H]21 ZINC000934762127 661732858 /nfs/dbraw/zinc/73/28/58/661732858.db2.gz MWCVPIZURZYFAD-XHSDSOJGSA-N 1 1 304.390 3.139 20 5 DGBDMO CC[C@H]1C[N@@H+](Cn2nccc2[N+](=O)[O-])CC[C@H]1c1ccccc1 ZINC000245441404 662233229 /nfs/dbraw/zinc/23/32/29/662233229.db2.gz VJVCTLDKRUYDQR-GOEBONIOSA-N 1 1 314.389 3.265 20 5 DGBDMO Cc1n[nH]c(C)c1[C@H]1CCC[N@@H+]1Cc1cc(F)ccc1[N+](=O)[O-] ZINC000091081609 662292683 /nfs/dbraw/zinc/29/26/83/662292683.db2.gz VULYTQDJKXDEJK-OAHLLOKOSA-N 1 1 318.352 3.411 20 5 DGBDMO Cc1n[nH]c(C)c1[C@H]1CCC[N@H+]1Cc1cc(F)ccc1[N+](=O)[O-] ZINC000091081609 662292686 /nfs/dbraw/zinc/29/26/86/662292686.db2.gz VULYTQDJKXDEJK-OAHLLOKOSA-N 1 1 318.352 3.411 20 5 DGBDMO Cc1ccc([N+](=O)[O-])c(C)c1CNC[C@@H]1CCC[N@H+](C(C)C)C1 ZINC001620780087 1191863110 /nfs/dbraw/zinc/86/31/10/1191863110.db2.gz YWCJQABUBIJCIJ-INIZCTEOSA-N 1 1 319.449 3.422 20 5 DGBDMO CSc1ccc([N+](=O)[O-])cc1C(=O)Nc1cc(C)[nH+]c(C)c1 ZINC001584244293 1192185195 /nfs/dbraw/zinc/18/51/95/1192185195.db2.gz MINKAXMUYRWIEY-UHFFFAOYSA-N 1 1 317.370 3.003 20 5 DGBDMO O=[N+]([O-])c1cccc(Br)c1C[NH2+]C/C=C\C1CC1 ZINC001620946814 1192642952 /nfs/dbraw/zinc/64/29/52/1192642952.db2.gz AECBGWXCHVBQHM-IHWYPQMZSA-N 1 1 311.179 3.413 20 5 DGBDMO Cc1ccc([N+](=O)[O-])cc1[C@H](C)[N@H+]1CC[C@@](CO)(C(C)C)C1 ZINC000351937469 1178053964 /nfs/dbraw/zinc/05/39/64/1178053964.db2.gz ODAJLYIJNNKNTN-WMLDXEAASA-N 1 1 306.406 3.305 20 5 DGBDMO Cn1ncc([N+](=O)[O-])c1Nc1ccc([NH+]2CCCCCC2)cc1 ZINC001458076200 1182494691 /nfs/dbraw/zinc/49/46/91/1182494691.db2.gz QZXHQWGNEHSLFE-UHFFFAOYSA-N 1 1 315.377 3.452 20 5 DGBDMO COc1ccc([N+](=O)[O-])cc1C[N@H+]1CCC[C@H]1COC(C)(C)C ZINC001460750004 1182716986 /nfs/dbraw/zinc/71/69/86/1182716986.db2.gz PLDAQLZTUAOTQY-HNNXBMFYSA-N 1 1 322.405 3.383 20 5 DGBDMO COc1c(O)ccc(C[N@H+]2CCC[C@@H](C(C)C)C2)c1[N+](=O)[O-] ZINC001462106514 1182908645 /nfs/dbraw/zinc/90/86/45/1182908645.db2.gz RHQRXDUXVUDDFU-GFCCVEGCSA-N 1 1 308.378 3.177 20 5 DGBDMO CC(C)[N@@H+](C)CCNc1cc(C(F)(F)F)ccc1[N+](=O)[O-] ZINC001472681224 1183666920 /nfs/dbraw/zinc/66/69/20/1183666920.db2.gz QDZJVOCKJWBWHM-UHFFFAOYSA-N 1 1 305.300 3.366 20 5 DGBDMO O=[N+]([O-])c1ncccc1NC[C@@H]1CC[N@H+]1C1CCCCCC1 ZINC001472857224 1183691199 /nfs/dbraw/zinc/69/11/99/1183691199.db2.gz ASAJMBISBDUYCT-AWEZNQCLSA-N 1 1 304.394 3.199 20 5 DGBDMO CC(C)CC[N@@H+](CCC(=O)Nc1ccc([N+](=O)[O-])cc1)C1CC1 ZINC001473105032 1183715740 /nfs/dbraw/zinc/71/57/40/1183715740.db2.gz GLGHPEHBJCSYSU-UHFFFAOYSA-N 1 1 319.405 3.434 20 5 DGBDMO COC(=O)c1ccc([N+](=O)[O-])c(C[N@@H+](C)[C@@H]2CCCC[C@@H]2C)c1 ZINC001473383003 1183750226 /nfs/dbraw/zinc/75/02/26/1183750226.db2.gz BWCFKZKNDKALHP-SWLSCSKDSA-N 1 1 320.389 3.392 20 5 DGBDMO COc1cc([N+](=O)[O-])ccc1C[N@@H+]1CCc2ccc(C)cc2C1 ZINC001473623680 1183782583 /nfs/dbraw/zinc/78/25/83/1183782583.db2.gz FAZWHMNQMHMCBS-UHFFFAOYSA-N 1 1 312.369 3.470 20 5 DGBDMO COc1cc([N+](=O)[O-])ccc1C[N@H+]1CCc2ccc(C)cc2C1 ZINC001473623680 1183782587 /nfs/dbraw/zinc/78/25/87/1183782587.db2.gz FAZWHMNQMHMCBS-UHFFFAOYSA-N 1 1 312.369 3.470 20 5 DGBDMO C[C@@H]1C[C@H](C)CC[N@@H+](Cc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])C1 ZINC001473807045 1183805805 /nfs/dbraw/zinc/80/58/05/1183805805.db2.gz PRDZXSGBPBDSAG-VXGBXAGGSA-N 1 1 307.350 3.371 20 5 DGBDMO COc1cc(C[NH2+]Cc2cc([N+](=O)[O-])ccc2OC)ccc1F ZINC001474084366 1183864097 /nfs/dbraw/zinc/86/40/97/1183864097.db2.gz VGLPJMFFBWXFRX-UHFFFAOYSA-N 1 1 320.320 3.041 20 5 DGBDMO Cc1ccc(N(C)CCC[N@@H+](C)Cc2ccco2)c([N+](=O)[O-])c1 ZINC001612357627 1193450881 /nfs/dbraw/zinc/45/08/81/1193450881.db2.gz LBKGVPSDYLJCLT-UHFFFAOYSA-N 1 1 317.389 3.455 20 5 DGBDMO C[C@@H]1[C@H](Nc2ccc([N+](=O)[O-])c(-c3ccccc3)n2)CC[N@H+]1C ZINC001612939772 1193464781 /nfs/dbraw/zinc/46/47/81/1193464781.db2.gz SXDAQWMOJPJZJS-TZMCWYRMSA-N 1 1 312.373 3.161 20 5 DGBDMO Cc1cc(NC(=O)c2cc([N+](=O)[O-])c(C)cc2Cl)cc(C)[nH+]1 ZINC001527978089 1187460263 /nfs/dbraw/zinc/46/02/63/1187460263.db2.gz HYIWQCNLXZOQKJ-UHFFFAOYSA-N 1 1 319.748 3.243 20 5 DGBDMO Cn1cc(C[N@H+]2CCC[C@H]2CC2CCCCC2)c([N+](=O)[O-])n1 ZINC001615338121 1193520765 /nfs/dbraw/zinc/52/07/65/1193520765.db2.gz RMHUXVLJAJJYPK-HNNXBMFYSA-N 1 1 306.410 3.263 20 5 DGBDMO CC[C@H]1CC[N@@H+](CCC(=O)Nc2ccccc2[N+](=O)[O-])[C@H]1C ZINC001617359238 1193566613 /nfs/dbraw/zinc/56/66/13/1193566613.db2.gz FEVDTEWSCULCKM-STQMWFEESA-N 1 1 305.378 3.044 20 5 DGBDMO COC[C@@H](C[N@@H+](Cc1ccc([N+](=O)[O-])cc1)C1CC1)C(C)C ZINC001559713487 1189234102 /nfs/dbraw/zinc/23/41/02/1189234102.db2.gz QTZSEGZGVJPFNA-OAHLLOKOSA-N 1 1 306.406 3.478 20 5 DGBDMO Cc1ncc([N+](=O)[O-])n1CC[N@H+]1CC[C@@H]([C@@H]2CCCC2(C)C)C1 ZINC001559937229 1189259026 /nfs/dbraw/zinc/25/90/26/1189259026.db2.gz XGFHITCGFAENCY-CABCVRRESA-N 1 1 320.437 3.248 20 5 DGBDMO Cc1cc(C[NH2+]Cc2ccc(-c3ccccc3[N+](=O)[O-])o2)[nH]n1 ZINC001560350176 1189316116 /nfs/dbraw/zinc/31/61/16/1189316116.db2.gz LLIYLUCFDVNGNC-UHFFFAOYSA-N 1 1 312.329 3.176 20 5 DGBDMO O=[N+]([O-])c1ccc(OC2C[NH+](C[C@H]3C[C@@H]3c3ccccc3)C2)cc1 ZINC001560876540 1189398333 /nfs/dbraw/zinc/39/83/33/1189398333.db2.gz OMMUHMAFBDSMAK-DNVCBOLYSA-N 1 1 324.380 3.462 20 5 DGBDMO C[C@@]([NH3+])(C(=O)Nc1ccccc1Cl)c1cccc([N+](=O)[O-])c1 ZINC001576085532 1191527974 /nfs/dbraw/zinc/52/79/74/1191527974.db2.gz LDNPBTJNHCGVIY-HNNXBMFYSA-N 1 1 319.748 3.061 20 5 DGBDMO C[C@H](c1ccccc1[N+](=O)[O-])N1C[C@@H]2CCCC[C@@]2(C[NH3+])C1 ZINC001576315829 1191560226 /nfs/dbraw/zinc/56/02/26/1191560226.db2.gz MWJCPQVUPAKYSK-JKIFEVAISA-N 1 1 303.406 3.107 20 5 DGBDMO O=[N+]([O-])c1ccc(C[N@H+]2CCCC[C@@H]2[C@H]2CCCO2)cc1F ZINC001620669668 1193788473 /nfs/dbraw/zinc/78/84/73/1193788473.db2.gz XIFZTEUQZYCXNY-HZPDHXFCSA-N 1 1 308.353 3.267 20 5 DGBDMO Cc1ncc([N+](=O)[O-])n1CC[N@@H+](CC1CCCCC1)C1CC1 ZINC001641546762 1194859504 /nfs/dbraw/zinc/85/95/04/1194859504.db2.gz DHRHLBDYSMQHRR-UHFFFAOYSA-N 1 1 306.410 3.144 20 5 DGBDMO CCO[C@H]1C[C@H]([N@@H+](C)Cc2cccnc2[N+](=O)[O-])C1(CC)CC ZINC001642126748 1194889319 /nfs/dbraw/zinc/88/93/19/1194889319.db2.gz INUUGEASNGZOMQ-GJZGRUSLSA-N 1 1 321.421 3.405 20 5 DGBDMO COc1ccc(OCC[N@H+]2CC[C@H](C)C(C)(C)C2)c([N+](=O)[O-])c1 ZINC001642662091 1194927390 /nfs/dbraw/zinc/92/73/90/1194927390.db2.gz GQOUSJYOCFXPJM-ZDUSSCGKSA-N 1 1 322.405 3.350 20 5 DGBDMO CC[C@H]1CC[N@@H+](Cc2nc(-c3ccc([N+](=O)[O-])cc3)no2)[C@@H]1C ZINC001642792003 1194939992 /nfs/dbraw/zinc/93/99/92/1194939992.db2.gz WMDALIXOWSNLCJ-NEPJUHHUSA-N 1 1 316.361 3.265 20 5 DGBDMO COCC[N@@H+](CCOc1ccc([N+](=O)[O-])cc1)[C@H]1CC[C@@H](C)C1 ZINC001642938580 1194955209 /nfs/dbraw/zinc/95/52/09/1194955209.db2.gz YTPLIFGKZAYQLT-ZBFHGGJFSA-N 1 1 322.405 3.111 20 5 DGBDMO CC(C)C[N@@H+](CC[N+](=O)[O-])Cc1cccc(C(F)(F)F)c1 ZINC001643975488 1195068765 /nfs/dbraw/zinc/06/87/65/1195068765.db2.gz AUSPOPVLVVXCFD-UHFFFAOYSA-N 1 1 304.312 3.440 20 5 DGBDMO Cc1ccc([N+](=O)[O-])cc1[C@H](C)[N@@H+]1Cc2c[nH]nc2C[C@H](C)C1 ZINC001644507472 1195113776 /nfs/dbraw/zinc/11/37/76/1195113776.db2.gz IKLFQOGSKORTQV-AAEUAGOBSA-N 1 1 314.389 3.382 20 5 DGBDMO CO[C@@]1(C)C[C@H]([N@@H+](C)CCOc2ccccc2[N+](=O)[O-])C1(C)C ZINC001644692143 1195127107 /nfs/dbraw/zinc/12/71/07/1195127107.db2.gz ZFEMVRAXJDTSDE-RDJZCZTQSA-N 1 1 322.405 3.109 20 5 DGBDMO COc1ccc2c(c1)C[N@H+](CC[N+](=O)[O-])[C@H](C1CCCCC1)C2 ZINC001644785080 1195134750 /nfs/dbraw/zinc/13/47/50/1195134750.db2.gz HWLBPBRKFSLFEY-SFHVURJKSA-N 1 1 318.417 3.279 20 5 DGBDMO O=[N+]([O-])c1ccc(C[N@@H+]2CC[C@H](O)[C@@H]3CCCC[C@@H]32)c(Cl)c1 ZINC001648114091 1195277010 /nfs/dbraw/zinc/27/70/10/1195277010.db2.gz LXHZVKOKZJJNIJ-KBMXLJTQSA-N 1 1 324.808 3.374 20 5 DGBDMO C[N@@H+](Cc1ccc(F)cc1[N+](=O)[O-])C[C@]12CCC[C@H]1OCC2 ZINC001648650610 1195318034 /nfs/dbraw/zinc/31/80/34/1195318034.db2.gz CZCSWMMCNBRXOV-HZPDHXFCSA-N 1 1 308.353 3.125 20 5 DGBDMO CC(C)(C)[N@H+]1CC[C@@H](Nc2nc3ccccc3cc2[N+](=O)[O-])C1 ZINC001651234033 1195430477 /nfs/dbraw/zinc/43/04/77/1195430477.db2.gz ANKSJBMIISTXOA-CYBMUJFWSA-N 1 1 314.389 3.428 20 5 DGBDMO CC[N@@H+]1[C@H](C)CN(c2nc3ccc([N+](=O)[O-])cc3s2)C[C@@H]1C ZINC001651366564 1195450626 /nfs/dbraw/zinc/45/06/26/1195450626.db2.gz JXHKGVSGCXYASQ-PHIMTYICSA-N 1 1 320.418 3.123 20 5 DGBDMO CCC(=O)c1ccc(NC[C@H]2CCCC[N@H+]2C)c([N+](=O)[O-])c1 ZINC001651490881 1195470569 /nfs/dbraw/zinc/47/05/69/1195470569.db2.gz VPRKZUKAWHRWRW-CYBMUJFWSA-N 1 1 305.378 3.084 20 5 DGBDMO CC[N@H+]1CC[C@@H]1CNc1cc(C(F)(F)F)ccc1[N+](=O)[O-] ZINC001652159467 1195555361 /nfs/dbraw/zinc/55/53/61/1195555361.db2.gz JDBDCDIDQRADQD-SNVBAGLBSA-N 1 1 303.284 3.120 20 5 DGBDMO CCC[N@@H+](CCC(=O)Nc1ccc([N+](=O)[O-])cc1)CC(C)C ZINC001652386309 1195590253 /nfs/dbraw/zinc/59/02/53/1195590253.db2.gz DWKNCBVSYBVWJL-UHFFFAOYSA-N 1 1 307.394 3.291 20 5 DGBDMO CCOC(=O)[C@@H](CC)[N@@H+]1CCC[C@@H](c2ccc([N+](=O)[O-])cc2)C1 ZINC001653648694 1195741158 /nfs/dbraw/zinc/74/11/58/1195741158.db2.gz HLYICPUXGKSWFA-GDBMZVCRSA-N 1 1 320.389 3.116 20 5 DGBDMO CCOC(=O)[C@@H](CC)[N@H+]1CCC[C@@H](c2ccc([N+](=O)[O-])cc2)C1 ZINC001653648694 1195741162 /nfs/dbraw/zinc/74/11/62/1195741162.db2.gz HLYICPUXGKSWFA-GDBMZVCRSA-N 1 1 320.389 3.116 20 5 DGBDMO Cc1ncc([N+](=O)[O-])n1CC[N@@H+]1CC[C@H](C(C)(C)C)C[C@H]1C ZINC001653769925 1195749028 /nfs/dbraw/zinc/74/90/28/1195749028.db2.gz QRPGKRLDDJNXRN-OCCSQVGLSA-N 1 1 308.426 3.246 20 5 DGBDMO Cc1ccc(C[N@H+](C)C[C@H](C)C(=O)OC(C)(C)C)cc1[N+](=O)[O-] ZINC001654672149 1195828925 /nfs/dbraw/zinc/82/89/25/1195828925.db2.gz GVCVZPCVCZPXLJ-ZDUSSCGKSA-N 1 1 322.405 3.313 20 5 DGBDMO C[N@@H+]1CCN(c2c(F)cc([N+](=O)[O-])cc2F)C[C@@H]1C(C)(C)C ZINC001655801494 1195964401 /nfs/dbraw/zinc/96/44/01/1195964401.db2.gz GUPUOEVUUCZJDS-CYBMUJFWSA-N 1 1 313.348 3.040 20 5 DGBDMO C[N@H+]1CCN(c2c(F)cc([N+](=O)[O-])cc2F)C[C@@H]1C(C)(C)C ZINC001655801494 1195964402 /nfs/dbraw/zinc/96/44/02/1195964402.db2.gz GUPUOEVUUCZJDS-CYBMUJFWSA-N 1 1 313.348 3.040 20 5 DGBDMO C[C@@]12CSC[C@@H]1C[N@@H+](CCCOc1ccc([N+](=O)[O-])cc1)C2 ZINC001655813183 1195965635 /nfs/dbraw/zinc/96/56/35/1195965635.db2.gz MVVRRFSNPDIJPW-XJKSGUPXSA-N 1 1 322.430 3.049 20 5 DGBDMO C[N@@H+](Cc1ccc([N+](=O)[O-])cc1F)C[C@]12CCC[C@H]1OCC2 ZINC001656557356 1196049891 /nfs/dbraw/zinc/04/98/91/1196049891.db2.gz BIQUYWSHYIROBP-HZPDHXFCSA-N 1 1 308.353 3.125 20 5 DGBDMO Cc1c(CN[C@H](C)C[NH+]2CCC(C)CC2)cccc1[N+](=O)[O-] ZINC001656626066 1196055875 /nfs/dbraw/zinc/05/58/75/1196055875.db2.gz MOURNRTVOYVCBF-CQSZACIVSA-N 1 1 305.422 3.113 20 5 DGBDMO CC(C)[C@H]1CCCCC[N@H+]1Cc1ccc(C(N)=O)cc1[N+](=O)[O-] ZINC001657971798 1196198331 /nfs/dbraw/zinc/19/83/31/1196198331.db2.gz KIQMXQRSYDODCE-OAHLLOKOSA-N 1 1 319.405 3.094 20 5 DGBDMO CO[C@@](C)(C[N@@H+](Cc1cccc([N+](=O)[O-])c1)C1CC1)C1CC1 ZINC001658258771 1196230785 /nfs/dbraw/zinc/23/07/85/1196230785.db2.gz BQVUUHQWELYHIV-KRWDZBQOSA-N 1 1 304.390 3.374 20 5 DGBDMO COc1c(O)ccc(C[N@@H+](C)CC2CCCCC2)c1[N+](=O)[O-] ZINC001658716328 1196291914 /nfs/dbraw/zinc/29/19/14/1196291914.db2.gz WQUXTFSMDUEHSW-UHFFFAOYSA-N 1 1 308.378 3.321 20 5 DGBDMO CC(C)CCCC[N@H+]1CC[C@@H](Nc2ccc([N+](=O)[O-])cn2)C1 ZINC001658879117 1196313026 /nfs/dbraw/zinc/31/30/26/1196313026.db2.gz GJFKICYFZLYTHL-CQSZACIVSA-N 1 1 306.410 3.302 20 5 DGBDMO CC1(C)CC[C@H](CO)[N@H+](Cc2ccc([N+](=O)[O-])c(Cl)c2)C1 ZINC001659906597 1196427858 /nfs/dbraw/zinc/42/78/58/1196427858.db2.gz HLVWOAWCNGNQTC-GFCCVEGCSA-N 1 1 312.797 3.231 20 5 DGBDMO CC1(C)CC[C@H](CO)[N@@H+](Cc2ccc([N+](=O)[O-])c(Cl)c2)C1 ZINC001659906597 1196427860 /nfs/dbraw/zinc/42/78/60/1196427860.db2.gz HLVWOAWCNGNQTC-GFCCVEGCSA-N 1 1 312.797 3.231 20 5 DGBDMO Cc1ccc([N+](=O)[O-])c(C)c1C[N@H+]1CC(C)(C)[C@H]2COC[C@H]21 ZINC001660014361 1196437918 /nfs/dbraw/zinc/43/79/18/1196437918.db2.gz FJFIHNKDEYHKIL-GOEBONIOSA-N 1 1 304.390 3.068 20 5 DGBDMO C[C@@H]1CN(Cc2ccc([N+](=O)[O-])c(F)c2)CC[N@H+]1C1CCCC1 ZINC001660164714 1196453619 /nfs/dbraw/zinc/45/36/19/1196453619.db2.gz AUJLBZPUKBDXDK-CYBMUJFWSA-N 1 1 321.396 3.183 20 5 DGBDMO CC(C)C[N@@H+](C)CCCNCc1ccc([N+](=O)[O-])cc1Cl ZINC001660183916 1196455228 /nfs/dbraw/zinc/45/52/28/1196455228.db2.gz FZPAAHJQMUJHQQ-UHFFFAOYSA-N 1 1 313.829 3.316 20 5 DGBDMO O=[N+]([O-])c1cc(C[N@H+]2CCC[C@@]2(CO)c2ccccc2)cs1 ZINC001660656894 1196509532 /nfs/dbraw/zinc/50/95/32/1196509532.db2.gz GKNKYXBWZGCZRX-MRXNPFEDSA-N 1 1 318.398 3.140 20 5 DGBDMO O=[N+]([O-])c1cc(C[N@@H+]2CCC[C@@]2(CO)c2ccccc2)cs1 ZINC001660656894 1196509534 /nfs/dbraw/zinc/50/95/34/1196509534.db2.gz GKNKYXBWZGCZRX-MRXNPFEDSA-N 1 1 318.398 3.140 20 5 DGBDMO Cc1ccc([N+](=O)[O-])c(C)c1CN1CCC[N@H+](C(C)C)CC1 ZINC001664114062 1196972489 /nfs/dbraw/zinc/97/24/89/1196972489.db2.gz CQELEDWQIJKHEZ-UHFFFAOYSA-N 1 1 305.422 3.128 20 5 DGBDMO COC[C@@H]1CCCC[N@H+]1[C@@H](C)Cc1ccc(OC)cc1[N+](=O)[O-] ZINC001170335161 1082348878 /nfs/dbraw/zinc/34/88/78/1082348878.db2.gz LVZJQXAMAKRBRU-ZFWWWQNUSA-N 1 1 322.405 3.035 20 5 DGBDMO COc1ccc(C[C@H](C)[N@@H+]2CCC[C@](C)(F)C2)c([N+](=O)[O-])c1 ZINC001170334381 1082349075 /nfs/dbraw/zinc/34/90/75/1082349075.db2.gz CTWPIURTZLUBMT-LRDDRELGSA-N 1 1 310.369 3.358 20 5 DGBDMO COc1ccc(C[C@H](C)[N@H+]2CCC[C@](C)(F)C2)c([N+](=O)[O-])c1 ZINC001170334381 1082349080 /nfs/dbraw/zinc/34/90/80/1082349080.db2.gz CTWPIURTZLUBMT-LRDDRELGSA-N 1 1 310.369 3.358 20 5 DGBDMO COc1ccc(C[C@@H](C)[N@@H+]2C[C@@H]3[C@H](C2)C3(C)C)c([N+](=O)[O-])c1 ZINC001170347606 1082356777 /nfs/dbraw/zinc/35/67/77/1082356777.db2.gz SDJDJUVAGFXUBK-DFBGVHRSSA-N 1 1 304.390 3.122 20 5 DGBDMO Cc1ccc2c(ccnc2NCc2ccc(N)[nH+]c2C)c1[N+](=O)[O-] ZINC001167780766 1083835890 /nfs/dbraw/zinc/83/58/90/1083835890.db2.gz BCNGKLDIIUQNJJ-UHFFFAOYSA-N 1 1 323.356 3.349 20 5 DGBDMO C[C@@H](C[N@H+]1CCC[C@H](C)C1)Nc1c(F)cc([N+](=O)[O-])cc1F ZINC001185018179 1084312531 /nfs/dbraw/zinc/31/25/31/1084312531.db2.gz XRUCAZRDZKLGKS-QWRGUYRKSA-N 1 1 313.348 3.405 20 5 DGBDMO CC(C)[N@H+]1CC[C@H](Oc2cc([N+](=O)[O-])c(F)cc2Cl)C1 ZINC001226195550 1085988196 /nfs/dbraw/zinc/98/81/96/1085988196.db2.gz LIBSDNJDZDGION-VIFPVBQESA-N 1 1 302.733 3.249 20 5 DGBDMO CC(C)[N@H+]1CCN(c2ccc3c(cccc3[N+](=O)[O-])n2)C[C@@H]1C ZINC001158494083 1087866768 /nfs/dbraw/zinc/86/67/68/1087866768.db2.gz AKHJWXXRTVZUTG-ZDUSSCGKSA-N 1 1 314.389 3.062 20 5 DGBDMO C[N@H+]1CCC[C@](C)(Nc2nccc3cc([N+](=O)[O-])ccc32)C1 ZINC001162340490 1089681207 /nfs/dbraw/zinc/68/12/07/1089681207.db2.gz UMAZGLVUNVHDBD-INIZCTEOSA-N 1 1 300.362 3.039 20 5 DGBDMO Cc1[nH+]c(N)ccc1CNc1nccc2cc([N+](=O)[O-])ccc21 ZINC001156985913 1089775797 /nfs/dbraw/zinc/77/57/97/1089775797.db2.gz PPUJSNWGJVAWOP-UHFFFAOYSA-N 1 1 309.329 3.041 20 5 DGBDMO CC(C)[N@H+]1CC[C@H](Nc2cc([N+](=O)[O-])c3cc[nH]c3n2)[C@@H](C)C1 ZINC001163364581 1090165293 /nfs/dbraw/zinc/16/52/93/1090165293.db2.gz DRMGWNZMFIAAPU-AAEUAGOBSA-N 1 1 317.393 3.002 20 5 DGBDMO C[C@H]1CCC[C@H](C)N1c1cc(/C=C/[NH+](C)C)c([N+](=O)[O-])cn1 ZINC001163546070 1090207289 /nfs/dbraw/zinc/20/72/89/1090207289.db2.gz NCELNGKXKNMGHV-TYDXBBDOSA-N 1 1 304.394 3.289 20 5 DGBDMO CC(C)[N@H+]1CCN(c2nc3ccccc3cc2[N+](=O)[O-])C[C@H]1C ZINC001165199628 1090477724 /nfs/dbraw/zinc/47/77/24/1090477724.db2.gz FLBKDWNXFQOOGE-CYBMUJFWSA-N 1 1 314.389 3.062 20 5 DGBDMO Cc1ccc([N+](=O)[O-])c(C)c1C[N@@H+]1CCOC2(CCCC2)C1 ZINC001204690811 1091018601 /nfs/dbraw/zinc/01/86/01/1091018601.db2.gz YXPTVNRFWBFXJF-UHFFFAOYSA-N 1 1 304.390 3.357 20 5 DGBDMO Cc1ccc([N+](=O)[O-])c(C)c1C[N@H+]1CCOC2(CCCC2)C1 ZINC001204690811 1091018608 /nfs/dbraw/zinc/01/86/08/1091018608.db2.gz YXPTVNRFWBFXJF-UHFFFAOYSA-N 1 1 304.390 3.357 20 5 DGBDMO C[N@H+]1CCC[C@H]1CNc1cccc(C(F)(F)F)c1[N+](=O)[O-] ZINC001307177338 1091429033 /nfs/dbraw/zinc/42/90/33/1091429033.db2.gz QXSOMBWEIRUUGY-VIFPVBQESA-N 1 1 303.284 3.120 20 5 DGBDMO O=[N+]([O-])C[C@@H]1CC[C@H]([N@H+]2CCC[C@H](Sc3ccncc3)C2)C1 ZINC001169033315 1092496179 /nfs/dbraw/zinc/49/61/79/1092496179.db2.gz BWSCCILUALCDEZ-YCPHGPKFSA-N 1 1 321.446 3.084 20 5 DGBDMO COc1cccc([C@@H]2CCC[N@H+]([C@H]3CC[C@H](C[N+](=O)[O-])C3)C2)c1 ZINC001169040924 1092500507 /nfs/dbraw/zinc/50/05/07/1092500507.db2.gz ADNLMPNXSYMMJI-UAGQMJEPSA-N 1 1 318.417 3.320 20 5 DGBDMO COc1cccc([C@@H]2CCC[N@H+]([C@@H]3CC[C@@H](C[N+](=O)[O-])C3)C2)c1 ZINC001169040896 1092501709 /nfs/dbraw/zinc/50/17/09/1092501709.db2.gz ADNLMPNXSYMMJI-DJIMGWMZSA-N 1 1 318.417 3.320 20 5 DGBDMO O=[N+]([O-])c1ccccc1-c1nnc(C[N@H+]2CC3CCC2CC3)o1 ZINC001336776964 1094735560 /nfs/dbraw/zinc/73/55/60/1094735560.db2.gz XHGAHIZCAJDOHU-UHFFFAOYSA-N 1 1 314.345 3.019 20 5 DGBDMO O=[N+]([O-])c1ccc2c(c1)nccc2N[C@H]1CC[N@H+]2CCCC[C@H]12 ZINC001337733487 1095074528 /nfs/dbraw/zinc/07/45/28/1095074528.db2.gz MQXUFNFORCIFSU-DOTOQJQBSA-N 1 1 312.373 3.182 20 5 DGBDMO O=[N+]([O-])c1ccc2c(c1)C[N@H+](CCc1ccc(F)cc1)CC2 ZINC001116502410 1095581119 /nfs/dbraw/zinc/58/11/19/1095581119.db2.gz VFRMECQVWOMWGP-UHFFFAOYSA-N 1 1 300.333 3.335 20 5 DGBDMO Cc1cc([N+](=O)[O-])c(C)cc1-c1noc(C[N@@H+](C)C(C)C)n1 ZINC001116612327 1095615753 /nfs/dbraw/zinc/61/57/53/1095615753.db2.gz LAWKBDBMQYLSDY-UHFFFAOYSA-N 1 1 304.350 3.102 20 5 DGBDMO Cc1cc([N+](=O)[O-])c(C)cc1-c1noc(C[N@H+](C)C(C)C)n1 ZINC001116612327 1095615760 /nfs/dbraw/zinc/61/57/60/1095615760.db2.gz LAWKBDBMQYLSDY-UHFFFAOYSA-N 1 1 304.350 3.102 20 5 DGBDMO CCOC(=O)C[C@@H]1CCC[N@H+]1C/C=C\c1ccccc1[N+](=O)[O-] ZINC001116695192 1095637422 /nfs/dbraw/zinc/63/74/22/1095637422.db2.gz UIAGPGISTREXJH-KKTNHOPESA-N 1 1 318.373 3.026 20 5 DGBDMO O=[N+]([O-])c1cnc(N[C@H]2CC[N@H+](C3CCC3)C2)c2ccccc21 ZINC001161176832 1095711105 /nfs/dbraw/zinc/71/11/05/1095711105.db2.gz GTKWCUODLLIVET-LBPRGKRZSA-N 1 1 312.373 3.182 20 5 DGBDMO C[NH+](C)Cc1nnc(-c2cc3ccccc3c3cccnc23)o1 ZINC001118070411 1095930229 /nfs/dbraw/zinc/93/02/29/1095930229.db2.gz GCNDZANMFHAEPV-UHFFFAOYSA-N 1 1 304.353 3.500 20 5 DGBDMO CC(C)[NH+]1CC(OCc2ccc([N+](=O)[O-])c3ccccc23)C1 ZINC001224203841 1096162557 /nfs/dbraw/zinc/16/25/57/1096162557.db2.gz MMCCKUDFSLXSKG-UHFFFAOYSA-N 1 1 300.358 3.357 20 5 DGBDMO CC(C)[N@@H+]1[C@@H]2CC[C@H]1C[C@@H](Oc1cccc([O-])c1[N+](=O)[O-])C2 ZINC001225619569 1096484959 /nfs/dbraw/zinc/48/49/59/1096484959.db2.gz CPYPTOGHJALTGT-ITGUQSILSA-N 1 1 306.362 3.083 20 5 DGBDMO CC(C)[N@H+]1CC[C@@H](Oc2ccc([N+](=O)[O-])c(C(F)(F)F)c2)C1 ZINC001225916813 1096563013 /nfs/dbraw/zinc/56/30/13/1096563013.db2.gz ASUPSAGGGYCCMJ-LLVKDONJSA-N 1 1 318.295 3.475 20 5 DGBDMO CC(C)[N@H+]1CCC[C@H](Oc2c(F)c(F)ccc2[N+](=O)[O-])C1 ZINC001225961926 1096574721 /nfs/dbraw/zinc/57/47/21/1096574721.db2.gz BEZWOBAHYGDDJM-JTQLQIEISA-N 1 1 300.305 3.125 20 5 DGBDMO CC(C)[N@H+]1CCC[C@@H](Oc2c(F)c(F)ccc2[N+](=O)[O-])C1 ZINC001225961927 1096575134 /nfs/dbraw/zinc/57/51/34/1096575134.db2.gz BEZWOBAHYGDDJM-SNVBAGLBSA-N 1 1 300.305 3.125 20 5 DGBDMO C[N@@H+]1[C@@H]2CC[C@H]1C[C@@H](Oc1cc(Cl)c(F)cc1[N+](=O)[O-])C2 ZINC001226909514 1096813033 /nfs/dbraw/zinc/81/30/33/1096813033.db2.gz WBOPGJHGWPIUEH-MYJAWHEDSA-N 1 1 314.744 3.391 20 5 DGBDMO C[C@H](C[NH+]1CCOCC1)Oc1cccc2cc3ccccc3nc21 ZINC001228176076 1097068794 /nfs/dbraw/zinc/06/87/94/1097068794.db2.gz KJVKGZSSWZGOIX-OAHLLOKOSA-N 1 1 322.408 3.488 20 5 DGBDMO C[N@@H+]1C[C@H]2CCC[C@@H](C1)[C@@H]2Oc1ccc(/C=C/[N+](=O)[O-])cc1 ZINC001229115847 1097259056 /nfs/dbraw/zinc/25/90/56/1097259056.db2.gz SPNLDKIPFDXGEF-JQNVNRKCSA-N 1 1 302.374 3.043 20 5 DGBDMO C[C@]1(O)CCC[N@H+]([C@H]2CCc3ccc([N+](=O)[O-])cc3CC2)CC1 ZINC001172907883 1097270389 /nfs/dbraw/zinc/27/03/89/1097270389.db2.gz IPHHSKAWRKZSDU-WMZOPIPTSA-N 1 1 318.417 3.079 20 5 DGBDMO CC[N@@H+](C1CCOCC1)[C@@H]1CCc2ccc([N+](=O)[O-])cc2CC1 ZINC001172914792 1097279078 /nfs/dbraw/zinc/27/90/78/1097279078.db2.gz IVDRAFVBIPLJBU-MRXNPFEDSA-N 1 1 318.417 3.343 20 5 DGBDMO CO[C@@H]1CCC[N@H+]([C@@H]2CCc3ccc([N+](=O)[O-])cc3CC2)CC1 ZINC001172916459 1097279384 /nfs/dbraw/zinc/27/93/84/1097279384.db2.gz RVRBWNFGRQFJTD-SJLPKXTDSA-N 1 1 318.417 3.343 20 5 DGBDMO CC1(C)[C@@H]2C[N@@H+]([C@@H]3CCc4ccc([N+](=O)[O-])cc4CC3)C[C@@H]21 ZINC001172914173 1097279396 /nfs/dbraw/zinc/27/93/96/1097279396.db2.gz DLAYHZKTAXERJG-OIISXLGYSA-N 1 1 300.402 3.430 20 5 DGBDMO CCO[C@@H]1CCC[N@H+]([C@H]2CCc3ccc([N+](=O)[O-])cc3CC2)C1 ZINC001172917840 1097279963 /nfs/dbraw/zinc/27/99/63/1097279963.db2.gz XKNZPABZWJJTQP-FUHWJXTLSA-N 1 1 318.417 3.343 20 5 DGBDMO CC(=O)[C@H]1CCC[N@H+]([C@H]2CCc3ccc([N+](=O)[O-])cc3CC2)C1 ZINC001172920030 1097281052 /nfs/dbraw/zinc/28/10/52/1097281052.db2.gz HUMOZLIOURBIHE-IRXDYDNUSA-N 1 1 316.401 3.143 20 5 DGBDMO C[N@@H+](Cc1ccncc1)[C@H]1CCc2ccc([N+](=O)[O-])cc2CC1 ZINC001172909702 1097291520 /nfs/dbraw/zinc/29/15/20/1097291520.db2.gz UZUJZZQAVPIGSG-KRWDZBQOSA-N 1 1 311.385 3.369 20 5 DGBDMO CN(C)CCC(C)(C)[NH2+][C@@H]1CCc2ccc([N+](=O)[O-])cc2CC1 ZINC001172911324 1097292161 /nfs/dbraw/zinc/29/21/61/1097292161.db2.gz INPRTDDXITYJET-MRXNPFEDSA-N 1 1 319.449 3.162 20 5 DGBDMO C[N@@H+]1C[C@H]2CCC[C@@H](C1)[C@H]2Oc1ccc(Cl)cc1[N+](=O)[O-] ZINC001229381671 1097309426 /nfs/dbraw/zinc/30/94/26/1097309426.db2.gz VFNAGVUUGRPAOI-HBYGRHMLSA-N 1 1 310.781 3.357 20 5 DGBDMO COc1ccc([N+](=O)[O-])c(C[C@H](C)[N@H+]2CCC[C@H]3C[C@H]32)c1F ZINC001173192594 1097357898 /nfs/dbraw/zinc/35/78/98/1097357898.db2.gz MDFZKVQMOXONPM-COPLHBTASA-N 1 1 308.353 3.158 20 5 DGBDMO C[C@@H](Cc1ccc([N+](=O)[O-])cc1)[N@H+]1CC[C@H]2O[C@@H](C)C[C@H]2C1 ZINC001173222795 1097372861 /nfs/dbraw/zinc/37/28/61/1097372861.db2.gz CDZMGJBFRRXRGN-GZIXRCOHSA-N 1 1 304.390 3.025 20 5 DGBDMO COC1C[C@H]2CC[C@@H](C1)[N@@H+]2[C@H](C)Cc1ccc([N+](=O)[O-])cc1 ZINC001173231512 1097377693 /nfs/dbraw/zinc/37/76/93/1097377693.db2.gz LXVXJSDMPFBOGG-AJSFGMTHSA-N 1 1 304.390 3.168 20 5 DGBDMO C[C@H](Cc1ccc([N+](=O)[O-])cc1)[N@H+]1CCC[C@H]1c1ncccn1 ZINC001173237787 1097392620 /nfs/dbraw/zinc/39/26/20/1097392620.db2.gz MSIZHWVYIXWWRT-CJNGLKHVSA-N 1 1 312.373 3.153 20 5 DGBDMO Cc1c(C)c([N+](=O)[O-])ccc1O[C@H]1[C@@H]2CCC[C@H]1C[N@H+](C)C2 ZINC001229881134 1097404479 /nfs/dbraw/zinc/40/44/79/1097404479.db2.gz NQPHCCJNBCNTKM-HALDLXJZSA-N 1 1 304.390 3.321 20 5 DGBDMO Cc1cc([N+](=O)[O-])c(O[C@H]2CCC[N@H+](C(C)C)C2)cc1[N+](=O)[O-] ZINC001230493612 1097498261 /nfs/dbraw/zinc/49/82/61/1097498261.db2.gz GTGBMNKHIXNKDT-LBPRGKRZSA-N 1 1 323.349 3.063 20 5 DGBDMO C[C@@H]1COCC[N@@H+](Cc2ccc3ccc4cccnc4c3n2)C1 ZINC001232218357 1097969768 /nfs/dbraw/zinc/96/97/68/1097969768.db2.gz HBCLOYKSPUUAEO-AWEZNQCLSA-N 1 1 307.397 3.251 20 5 DGBDMO C[C@H]1CC[N@@H+](Cc2ccc3ccc4cccnc4c3n2)CC[C@@H]1O ZINC001232218390 1097969903 /nfs/dbraw/zinc/96/99/03/1097969903.db2.gz HQCHIRXVHVQGAS-KSSFIOAISA-N 1 1 321.424 3.376 20 5 DGBDMO c1cnc2c(c1)ccc1ccc(C[N@H+]3CC[C@@]34CCOC4)nc12 ZINC001232228668 1097974113 /nfs/dbraw/zinc/97/41/13/1097974113.db2.gz UKGSDYUHTPIGTI-IBGZPJMESA-N 1 1 305.381 3.148 20 5 DGBDMO Cc1ccc([N+](=O)[O-])cc1NC(=O)C[N@H+](C)C[C@@H](C)C(C)(C)C ZINC001175982660 1098218514 /nfs/dbraw/zinc/21/85/14/1098218514.db2.gz IYXCSLJVIVLMAV-CYBMUJFWSA-N 1 1 321.421 3.456 20 5 DGBDMO C[N@@H+]1[C@@H]2CC[C@H]1C[C@H](Oc1c3cccnc3ccc1[N+](=O)[O-])C2 ZINC001233779449 1098430113 /nfs/dbraw/zinc/43/01/13/1098430113.db2.gz RKQUPEIWROMEBF-CLLJXQQHSA-N 1 1 313.357 3.147 20 5 DGBDMO CC[N@H+]1CCC[C@@H](Oc2c3cccnc3ccc2[N+](=O)[O-])C1 ZINC001233787664 1098431441 /nfs/dbraw/zinc/43/14/41/1098431441.db2.gz YYHXQYIQLRLYOX-GFCCVEGCSA-N 1 1 301.346 3.006 20 5 DGBDMO CC(C)[N@H+]1CCC[C@@H](Oc2c3cccnc3ccc2[N+](=O)[O-])C1 ZINC001233787513 1098431581 /nfs/dbraw/zinc/43/15/81/1098431581.db2.gz YKDWPACTDJKTJK-CYBMUJFWSA-N 1 1 315.373 3.395 20 5 DGBDMO C[N@H+]1CCC[C@@H](Oc2ccc3cccc([N+](=O)[O-])c3n2)CC1 ZINC001233835880 1098440362 /nfs/dbraw/zinc/44/03/62/1098440362.db2.gz FRCNCQZSWFDGIG-CYBMUJFWSA-N 1 1 301.346 3.006 20 5 DGBDMO CC[C@@H](N[C@@H]1CC[N@@H+]2CCC[C@H]2C1)c1cccc([N+](=O)[O-])c1 ZINC001178204623 1098746738 /nfs/dbraw/zinc/74/67/38/1098746738.db2.gz KUWSZCGKNSCPLJ-HLLBOEOZSA-N 1 1 303.406 3.262 20 5 DGBDMO CC[C@@H](N[C@@H]1CC[N@H+]2CCC[C@H]2C1)c1cccc([N+](=O)[O-])c1 ZINC001178204623 1098746748 /nfs/dbraw/zinc/74/67/48/1098746748.db2.gz KUWSZCGKNSCPLJ-HLLBOEOZSA-N 1 1 303.406 3.262 20 5 DGBDMO C[C@H]1CN(c2c(Cl)cncc2[N+](=O)[O-])CC[N@@H+]1C1CCCC1 ZINC001187624550 1099559934 /nfs/dbraw/zinc/55/99/34/1099559934.db2.gz DQUGIJFEQIMXNJ-NSHDSACASA-N 1 1 324.812 3.096 20 5 DGBDMO C[C@H]1CN(c2c(Cl)cncc2[N+](=O)[O-])CC[N@H+]1C1CCCC1 ZINC001187624550 1099559945 /nfs/dbraw/zinc/55/99/45/1099559945.db2.gz DQUGIJFEQIMXNJ-NSHDSACASA-N 1 1 324.812 3.096 20 5 DGBDMO CO[C@@H]1C[N@@H+](Cc2c3ccccc3cc3ccccc32)C[C@@H]1N ZINC001237101806 1099968776 /nfs/dbraw/zinc/96/87/76/1099968776.db2.gz KLXYYUWLPKILOX-VQTJNVASSA-N 1 1 306.409 3.151 20 5 DGBDMO CO[C@@H]1CN(Cc2c3ccccc3cc3ccccc32)C[C@@H]1[NH3+] ZINC001237101806 1099968783 /nfs/dbraw/zinc/96/87/83/1099968783.db2.gz KLXYYUWLPKILOX-VQTJNVASSA-N 1 1 306.409 3.151 20 5 DGBDMO CCC1(CC)CC[N@H+]([C@H](C)C(=O)Nc2cccc([N+](=O)[O-])c2)C1 ZINC001191539167 1100480762 /nfs/dbraw/zinc/48/07/62/1100480762.db2.gz DRSHEBIPZRGLKP-CYBMUJFWSA-N 1 1 319.405 3.434 20 5 DGBDMO Cc1ccc([N+](=O)[O-])c(C)c1CNCC[N@@H+]1CCCC(C)(C)C1 ZINC001202176044 1102874983 /nfs/dbraw/zinc/87/49/83/1102874983.db2.gz IRRXQZUKWOGDEV-UHFFFAOYSA-N 1 1 319.449 3.423 20 5 DGBDMO Cc1ccc([N+](=O)[O-])c(C)c1CNCC[N@H+]1CCCC(C)(C)C1 ZINC001202176044 1102875003 /nfs/dbraw/zinc/87/50/03/1102875003.db2.gz IRRXQZUKWOGDEV-UHFFFAOYSA-N 1 1 319.449 3.423 20 5 DGBDMO CC[N@H+]1CCC[C@@H](CN[C@H](C)c2ccc(C)c([N+](=O)[O-])c2)C1 ZINC001253094557 1105887501 /nfs/dbraw/zinc/88/75/01/1105887501.db2.gz FDPNQEAVDRPVKP-CABCVRRESA-N 1 1 305.422 3.286 20 5 DGBDMO C[C@H](Cc1ccccc1[N+](=O)[O-])[N@H+]1CC[C@H]2OCCC[C@H]2C1 ZINC001254550580 1106101474 /nfs/dbraw/zinc/10/14/74/1106101474.db2.gz MGXFMJHEDDKNSS-UKPHBRMFSA-N 1 1 304.390 3.027 20 5 DGBDMO C[C@@H](Cc1ccccc1[N+](=O)[O-])[N@H+]1CCC2(C1)CCOCC2 ZINC001254563542 1106104058 /nfs/dbraw/zinc/10/40/58/1106104058.db2.gz YFOXBCCVRSHWFV-AWEZNQCLSA-N 1 1 304.390 3.028 20 5 DGBDMO CC(C)[N@@H+](CCCCCO)[C@H](C)Cc1ccccc1[N+](=O)[O-] ZINC001254564283 1106104859 /nfs/dbraw/zinc/10/48/59/1106104859.db2.gz KCNGVSHOKUSURU-OAHLLOKOSA-N 1 1 308.422 3.399 20 5 DGBDMO Cc1cnc2c(c1)C[N@@H+]([C@@H](C)Cc1ccccc1[N+](=O)[O-])CC2 ZINC001254569074 1106106253 /nfs/dbraw/zinc/10/62/53/1106106253.db2.gz HOVGUPJKCNWARS-AWEZNQCLSA-N 1 1 311.385 3.288 20 5 DGBDMO O=[N+]([O-])c1ccc2c(c1)C[C@H]([N@H+]1CCC[C@@H]1c1ccncc1)C2 ZINC001254599576 1106110518 /nfs/dbraw/zinc/11/05/18/1106110518.db2.gz MUVHCBFZHNOEAA-QZTJIDSGSA-N 1 1 309.369 3.294 20 5 DGBDMO COc1cccc(C[N@@H+](C)[C@@H]2Cc3ccc([N+](=O)[O-])cc3C2)c1 ZINC001254599094 1106110968 /nfs/dbraw/zinc/11/09/68/1106110968.db2.gz KHWWGBDEYYGDKC-QGZVFWFLSA-N 1 1 312.369 3.203 20 5 DGBDMO O=[N+]([O-])c1ccc2c(c1)C[C@H]([N@H+]1CC[C@@H](F)C(F)(F)CC1)C2 ZINC001254600972 1106111739 /nfs/dbraw/zinc/11/17/39/1106111739.db2.gz XINNRNQVCJTTGW-ZIAGYGMSSA-N 1 1 314.307 3.131 20 5 DGBDMO O=[N+]([O-])c1ccc2c(c1)C[C@@H]([N@H+]1CCOC3(CCCCC3)C1)C2 ZINC001254609568 1106112332 /nfs/dbraw/zinc/11/23/32/1106112332.db2.gz XLEDOEINCMBZQM-KRWDZBQOSA-N 1 1 316.401 3.097 20 5 DGBDMO COc1cccc2c1CC[N@H+]([C@H]1Cc3ccc([N+](=O)[O-])cc3C1)C2 ZINC001254607273 1106112393 /nfs/dbraw/zinc/11/23/93/1106112393.db2.gz KOTGXFLQTNAORA-KRWDZBQOSA-N 1 1 324.380 3.129 20 5 DGBDMO O=[N+]([O-])c1ccc2c(c1)C[C@H]([N@H+]1CCc3c(F)cccc3C1)C2 ZINC001254609825 1106112518 /nfs/dbraw/zinc/11/25/18/1106112518.db2.gz YXUXTEBJGCCBPV-MRXNPFEDSA-N 1 1 312.344 3.259 20 5 DGBDMO C[C@@H](C(=O)Nc1ccc([N+](=O)[O-])cc1)[N@@H+]1CC(C)(C)C1(C)C ZINC001319995927 1106773020 /nfs/dbraw/zinc/77/30/20/1106773020.db2.gz REVNSFRBZKIMEY-NSHDSACASA-N 1 1 305.378 3.042 20 5 DGBDMO C[C@@H](C(=O)Nc1ccc([N+](=O)[O-])cc1)[N@H+]1CC(C)(C)C1(C)C ZINC001319995927 1106773029 /nfs/dbraw/zinc/77/30/29/1106773029.db2.gz REVNSFRBZKIMEY-NSHDSACASA-N 1 1 305.378 3.042 20 5 DGBDMO CC[N@@H+](CC(=O)Nc1ccc([N+](=O)[O-])cc1Cl)C(C)(C)C ZINC001261263902 1107383194 /nfs/dbraw/zinc/38/31/94/1107383194.db2.gz WGOWWDACCBPWCX-UHFFFAOYSA-N 1 1 313.785 3.307 20 5 DGBDMO C[NH+](C)[C@@H]1CCCC[C@H]1NC/C=C/c1ccccc1[N+](=O)[O-] ZINC001319832849 1108655795 /nfs/dbraw/zinc/65/57/95/1108655795.db2.gz UTLLOTFPHLGDCL-KYZJMWGYSA-N 1 1 303.406 3.070 20 5 DGBDMO C[C@H](C(=O)Nc1ccc([N+](=O)[O-])cc1)[N@H+]1C[C@@H](C)CC(C)(C)C1 ZINC001307606981 1111319170 /nfs/dbraw/zinc/31/91/70/1111319170.db2.gz VRIWXECSTVNOOT-QWHCGFSZSA-N 1 1 319.405 3.290 20 5 DGBDMO C[C@H]1C[N@@H+](CCOc2ccc([N+](=O)[O-])cc2)CC2(CCCC2)O1 ZINC001307899889 1111353382 /nfs/dbraw/zinc/35/33/82/1111353382.db2.gz NQXCPFGEIVAPBT-AWEZNQCLSA-N 1 1 320.389 3.007 20 5 DGBDMO CC(C)(C)OC[C@@H]1CCC[N@H+]1CCOc1ccc([N+](=O)[O-])cc1 ZINC001308065152 1111373271 /nfs/dbraw/zinc/37/32/71/1111373271.db2.gz YUEHKSBSSHUPMR-HNNXBMFYSA-N 1 1 322.405 3.253 20 5 DGBDMO Cc1c(CN2CC[N@@H+](C3CCCC3)[C@@H](C)C2)cccc1[N+](=O)[O-] ZINC001308079817 1111375462 /nfs/dbraw/zinc/37/54/62/1111375462.db2.gz PULHAUHHUDHSTL-AWEZNQCLSA-N 1 1 317.433 3.352 20 5 DGBDMO Cc1cccc(C)c1C[N@@H+](C)C[C@H](O)c1cccc([N+](=O)[O-])c1 ZINC001308112383 1111379136 /nfs/dbraw/zinc/37/91/36/1111379136.db2.gz FSONJFFRMRKPHI-SFHVURJKSA-N 1 1 314.385 3.377 20 5 DGBDMO Cc1ncc([N+](=O)[O-])n1CC[N@H+]1CCC[C@H](C2CCCC2)C1 ZINC001308157945 1111387281 /nfs/dbraw/zinc/38/72/81/1111387281.db2.gz RLVIFOWXWYGWJZ-HNNXBMFYSA-N 1 1 306.410 3.002 20 5 DGBDMO Cc1ncc([N+](=O)[O-])n1CC[N@H+]1CCC[C@@H](C2CCCC2)C1 ZINC001308157946 1111387444 /nfs/dbraw/zinc/38/74/44/1111387444.db2.gz RLVIFOWXWYGWJZ-OAHLLOKOSA-N 1 1 306.410 3.002 20 5 DGBDMO Cc1ccc(CNC[C@@H](C)[N@@H+]2CCCC[C@H]2C)cc1[N+](=O)[O-] ZINC001308201920 1111396806 /nfs/dbraw/zinc/39/68/06/1111396806.db2.gz XEOMIROWSHDPDV-HUUCEWRRSA-N 1 1 305.422 3.256 20 5 DGBDMO Cc1ccc(CNC[C@@H](C)[N@H+]2CCCC[C@H]2C)cc1[N+](=O)[O-] ZINC001308201920 1111396809 /nfs/dbraw/zinc/39/68/09/1111396809.db2.gz XEOMIROWSHDPDV-HUUCEWRRSA-N 1 1 305.422 3.256 20 5 DGBDMO Cc1c(C[NH2+]Cc2cc3c(cc[nH]c3=O)o2)cccc1[N+](=O)[O-] ZINC001308370093 1111422898 /nfs/dbraw/zinc/42/28/98/1111422898.db2.gz DSEJVDORFNOMAD-UHFFFAOYSA-N 1 1 313.313 3.040 20 5 DGBDMO C[C@@H]([N@@H+](C)CCC(=O)Nc1cc([N+](=O)[O-])ccc1F)C1(C)CC1 ZINC000128870298 432002223 /nfs/dbraw/zinc/00/22/23/432002223.db2.gz ULPHFDVXRGERFA-LLVKDONJSA-N 1 1 323.368 3.183 20 5 DGBDMO C[C@@H]1CCC[N@@H+](CCCCNc2ccc(N)cc2[N+](=O)[O-])C1 ZINC000286547683 219048058 /nfs/dbraw/zinc/04/80/58/219048058.db2.gz ZJPKEWZTKLLBHS-CYBMUJFWSA-N 1 1 306.410 3.101 20 5 DGBDMO COC[C@H]([NH2+]Cc1ccc([N+](=O)[O-])c(F)c1)c1ccccc1 ZINC000278541204 214223841 /nfs/dbraw/zinc/22/38/41/214223841.db2.gz GLCNNSICRXQLDA-HNNXBMFYSA-N 1 1 304.321 3.211 20 5 DGBDMO CC[C@]1(C)CCC[N@H+](CC(=O)Nc2c(C)cccc2[N+](=O)[O-])C1 ZINC000330933017 529395522 /nfs/dbraw/zinc/39/55/22/529395522.db2.gz ZJUOAAQYWOCBDX-QGZVFWFLSA-N 1 1 319.405 3.354 20 5 DGBDMO CC[C@]1(C)CCC[N@@H+](CC(=O)Nc2c(C)cccc2[N+](=O)[O-])C1 ZINC000330933017 529395525 /nfs/dbraw/zinc/39/55/25/529395525.db2.gz ZJUOAAQYWOCBDX-QGZVFWFLSA-N 1 1 319.405 3.354 20 5 DGBDMO Cc1c(C[N@H+]2CCC[C@@H]2[C@@H]2CCC[C@@H]2O)cccc1[N+](=O)[O-] ZINC000319368372 231182726 /nfs/dbraw/zinc/18/27/26/231182726.db2.gz YKJBJCVJCWKCOG-UAGQMJEPSA-N 1 1 304.390 3.029 20 5 DGBDMO CC[C@@]1(O)CC[N@@H+](Cc2ccc(-c3ccc([N+](=O)[O-])cc3)o2)C1 ZINC000428443322 529574944 /nfs/dbraw/zinc/57/49/44/529574944.db2.gz YFJMPSCXDPNRGP-QGZVFWFLSA-N 1 1 316.357 3.202 20 5 DGBDMO C[N@H+](Cc1ccc(Cl)cc1[N+](=O)[O-])C[C@H]1CCCC[C@@H]1O ZINC000181460843 199299764 /nfs/dbraw/zinc/29/97/64/199299764.db2.gz KPMUNWGJTOXUTL-DOMZBBRYSA-N 1 1 312.797 3.231 20 5 DGBDMO Cn1ccnc1[C@H]([NH2+][C@@H]1CCC1(C)C)c1ccc([N+](=O)[O-])cc1 ZINC000287015623 219270397 /nfs/dbraw/zinc/27/03/97/219270397.db2.gz KVTLJOCBVISGRI-HUUCEWRRSA-N 1 1 314.389 3.196 20 5 DGBDMO O=[N+]([O-])c1cnn(CC[N@H+]2CCC[C@H]2c2ccc(Cl)cc2)c1 ZINC000174816803 198389262 /nfs/dbraw/zinc/38/92/62/198389262.db2.gz HUKWDLBLJAHSKF-HNNXBMFYSA-N 1 1 320.780 3.282 20 5 DGBDMO Cc1ccc([N+](=O)[O-])cc1[C@H](C)N[C@@H]1C[C@H](C)[N@@H+](C2CC2)C1 ZINC000166280178 432059752 /nfs/dbraw/zinc/05/97/52/432059752.db2.gz XMLWLPXJWVTFPM-MELADBBJSA-N 1 1 303.406 3.179 20 5 DGBDMO Cc1ccc([N+](=O)[O-])cc1[C@H](C)N[C@@H]1C[C@H](C)[N@H+](C2CC2)C1 ZINC000166280178 432059753 /nfs/dbraw/zinc/05/97/53/432059753.db2.gz XMLWLPXJWVTFPM-MELADBBJSA-N 1 1 303.406 3.179 20 5 DGBDMO Cc1c([C@@H](C)N[C@H]2C[C@H](C)[N@@H+](C3CC3)C2)cccc1[N+](=O)[O-] ZINC000166281507 432060215 /nfs/dbraw/zinc/06/02/15/432060215.db2.gz ZHINZWBZWUOYPJ-YUTCNCBUSA-N 1 1 303.406 3.179 20 5 DGBDMO Cc1c([C@@H](C)N[C@H]2C[C@H](C)[N@H+](C3CC3)C2)cccc1[N+](=O)[O-] ZINC000166281507 432060216 /nfs/dbraw/zinc/06/02/16/432060216.db2.gz ZHINZWBZWUOYPJ-YUTCNCBUSA-N 1 1 303.406 3.179 20 5 DGBDMO Cc1ccc([C@H](C)[NH2+]Cc2cn3ccsc3n2)cc1[N+](=O)[O-] ZINC000177759557 198770751 /nfs/dbraw/zinc/77/07/51/198770751.db2.gz DJRXXUPOWRERMW-NSHDSACASA-N 1 1 316.386 3.463 20 5 DGBDMO CCOc1cc(C[N@@H+](C)CCc2ccccn2)ccc1[N+](=O)[O-] ZINC000276923602 213179147 /nfs/dbraw/zinc/17/91/47/213179147.db2.gz PMSFMBCRPKGTJZ-UHFFFAOYSA-N 1 1 315.373 3.063 20 5 DGBDMO CCc1nn(C)cc1C[N@H+](Cc1ccc([N+](=O)[O-])cc1)C1CC1 ZINC000179694680 432067242 /nfs/dbraw/zinc/06/72/42/432067242.db2.gz FZAGSYSCGIJCRT-UHFFFAOYSA-N 1 1 314.389 3.055 20 5 DGBDMO CCc1nn(C)cc1C[N@@H+](Cc1ccc([N+](=O)[O-])cc1)C1CC1 ZINC000179694680 432067243 /nfs/dbraw/zinc/06/72/43/432067243.db2.gz FZAGSYSCGIJCRT-UHFFFAOYSA-N 1 1 314.389 3.055 20 5 DGBDMO C[C@H]1C[N@@H+](Cc2ccc(-c3ccc([N+](=O)[O-])cc3)o2)CCCO1 ZINC000179396308 199028664 /nfs/dbraw/zinc/02/86/64/199028664.db2.gz DAYSYWDJDWQRRZ-ZDUSSCGKSA-N 1 1 316.357 3.466 20 5 DGBDMO C[C@@]1(O)CC[N@@H+](Cc2ccc(-c3ccc([N+](=O)[O-])cc3)s2)C1 ZINC000180186139 199128070 /nfs/dbraw/zinc/12/80/70/199128070.db2.gz ROBHWUHRASORPC-MRXNPFEDSA-N 1 1 318.398 3.280 20 5 DGBDMO CCC[N@@H+](C)Cc1cc(OC)c(OCC(F)F)cc1[N+](=O)[O-] ZINC000179916448 432075017 /nfs/dbraw/zinc/07/50/17/432075017.db2.gz CNPUPWBJEGWKEH-UHFFFAOYSA-N 1 1 318.320 3.089 20 5 DGBDMO [NH3+]CCC[C@H](NCc1ccc([N+](=O)[O-])cc1F)c1ccccc1 ZINC000415047630 237031929 /nfs/dbraw/zinc/03/19/29/237031929.db2.gz FELSTQRUDNOUNI-KRWDZBQOSA-N 1 1 317.364 3.304 20 5 DGBDMO CC[C@]1(CO)CCC[N@H+]([C@@H](C)c2cc([N+](=O)[O-])ccc2C)C1 ZINC000187561332 200128657 /nfs/dbraw/zinc/12/86/57/200128657.db2.gz WFJOLTVUKLTTJV-YOEHRIQHSA-N 1 1 306.406 3.449 20 5 DGBDMO Cc1ccc2c(c1)nc(C[NH2+]Cc1ccc(C)c([N+](=O)[O-])c1)n2C ZINC000187574669 200129068 /nfs/dbraw/zinc/12/90/68/200129068.db2.gz AJTIFAMYSXTBBN-UHFFFAOYSA-N 1 1 324.384 3.388 20 5 DGBDMO Cc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@@H+]1CCCC[C@H](C)C1 ZINC000187936633 200178939 /nfs/dbraw/zinc/17/89/39/200178939.db2.gz QSOLJBGIQGNYPE-ZDUSSCGKSA-N 1 1 319.405 3.354 20 5 DGBDMO Cc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@@H+]1CCCC[C@@H](C)C1 ZINC000187936657 200179173 /nfs/dbraw/zinc/17/91/73/200179173.db2.gz QSOLJBGIQGNYPE-CYBMUJFWSA-N 1 1 319.405 3.354 20 5 DGBDMO CC[C@H](C)[N@@H+](C)Cc1cc(OC)c(OC(F)F)cc1[N+](=O)[O-] ZINC000170915852 432087821 /nfs/dbraw/zinc/08/78/21/432087821.db2.gz QRGJZEVMYJVXEA-VIFPVBQESA-N 1 1 318.320 3.435 20 5 DGBDMO O=[N+]([O-])c1ccccc1-c1ccc(C[N@@H+]2CCC[C@@H]2CCO)o1 ZINC000428470579 238022975 /nfs/dbraw/zinc/02/29/75/238022975.db2.gz QLMQCIIQCJPXOB-CYBMUJFWSA-N 1 1 316.357 3.202 20 5 DGBDMO CN(C)CC[N@@H+](C/C=C/c1ccccc1[N+](=O)[O-])C1CCCC1 ZINC000428095988 238009072 /nfs/dbraw/zinc/00/90/72/238009072.db2.gz AOXMYHBTGYJDBI-VQHVLOKHSA-N 1 1 317.433 3.414 20 5 DGBDMO C[NH+](C)CCN(C/C=C/c1ccccc1[N+](=O)[O-])C1CCCC1 ZINC000428095988 238009073 /nfs/dbraw/zinc/00/90/73/238009073.db2.gz AOXMYHBTGYJDBI-VQHVLOKHSA-N 1 1 317.433 3.414 20 5 DGBDMO C[C@@H]1CC[C@@H]([N@@H+](C)Cc2nnc(-c3ccc([N+](=O)[O-])cc3)o2)C1 ZINC000429573764 238055889 /nfs/dbraw/zinc/05/58/89/238055889.db2.gz BWDHZGKQMUOCLQ-BXUZGUMPSA-N 1 1 316.361 3.265 20 5 DGBDMO COCC[N@@H+](Cc1cccc([N+](=O)[O-])c1C)[C@H]1CCCSC1 ZINC000433188125 238149400 /nfs/dbraw/zinc/14/94/00/238149400.db2.gz LJPRBYNHBQDEGU-HNNXBMFYSA-N 1 1 324.446 3.247 20 5 DGBDMO O=[N+]([O-])c1cc(F)c(NC[C@@H]2CCCC[N@H+]2C2CC2)c(F)c1 ZINC000433819933 238169766 /nfs/dbraw/zinc/16/97/66/238169766.db2.gz LFESKZOZNVFFGE-NSHDSACASA-N 1 1 311.332 3.302 20 5 DGBDMO O=[N+]([O-])c1ccc(CNC[C@@H]2CCCC[N@H+]2C2CC2)c(Cl)c1 ZINC000434797631 238247424 /nfs/dbraw/zinc/24/74/24/238247424.db2.gz ZMUVLCFWYOWKJC-HNNXBMFYSA-N 1 1 323.824 3.355 20 5 DGBDMO O=[N+]([O-])c1ccc(C[NH2+]C[C@@H]2CCCCN2C2CC2)c(Cl)c1 ZINC000434797631 238247430 /nfs/dbraw/zinc/24/74/30/238247430.db2.gz ZMUVLCFWYOWKJC-HNNXBMFYSA-N 1 1 323.824 3.355 20 5 DGBDMO O=[N+]([O-])c1ccc2c(c1)[C@H]([NH2+][C@@H](CCO)c1ccco1)CCC2 ZINC000193297184 201023087 /nfs/dbraw/zinc/02/30/87/201023087.db2.gz XTLZWOFYEQDINS-CVEARBPZSA-N 1 1 316.357 3.279 20 5 DGBDMO CCCC[N@@H+](C)CC1CCN(c2ccc([N+](=O)[O-])c(C)n2)CC1 ZINC000268512315 432099389 /nfs/dbraw/zinc/09/93/89/432099389.db2.gz SKBUMPGGSRVWHC-UHFFFAOYSA-N 1 1 320.437 3.247 20 5 DGBDMO Cc1cc([N+](=O)[O-])ccc1NC(=O)C[N@H+]1C[C@H](C)CCC[C@@H]1C ZINC000444225698 239270441 /nfs/dbraw/zinc/27/04/41/239270441.db2.gz RLNMTEZHEOKREI-OCCSQVGLSA-N 1 1 319.405 3.352 20 5 DGBDMO Cc1cccc(C[N@H+](C)Cc2nc3cc([N+](=O)[O-])ccc3[nH]2)c1 ZINC000444583811 239300803 /nfs/dbraw/zinc/30/08/03/239300803.db2.gz QEOGBFQUJIKCBM-UHFFFAOYSA-N 1 1 310.357 3.412 20 5 DGBDMO Cc1cccc(C[N@@H+](C)Cc2nc3cc([N+](=O)[O-])ccc3[nH]2)c1 ZINC000444583811 239300806 /nfs/dbraw/zinc/30/08/06/239300806.db2.gz QEOGBFQUJIKCBM-UHFFFAOYSA-N 1 1 310.357 3.412 20 5 DGBDMO Cc1cc([N+](=O)[O-])ccc1NC(=O)C[N@@H+]1CCC[C@@H](C(C)C)C1 ZINC000444748423 239346024 /nfs/dbraw/zinc/34/60/24/239346024.db2.gz JMMUOCVSUJPGRU-CQSZACIVSA-N 1 1 319.405 3.210 20 5 DGBDMO O=[N+]([O-])c1ccccc1C[NH2+]Cc1ccnn1C1CCCC1 ZINC000449087704 240010822 /nfs/dbraw/zinc/01/08/22/240010822.db2.gz GNTMXDFELVPZCN-UHFFFAOYSA-N 1 1 300.362 3.196 20 5 DGBDMO C[C@@H]1CN(C/C=C\c2ccccc2[N+](=O)[O-])CC[N@H+](C2CC2)C1 ZINC000449344123 240146467 /nfs/dbraw/zinc/14/64/67/240146467.db2.gz BAMGOUFBCDOJBW-ZDTYVGOBSA-N 1 1 315.417 3.024 20 5 DGBDMO CO[C@H]1CC[N@@H+](C/C=C\c2ccccc2[N+](=O)[O-])CC1(C)C ZINC000449503994 240249780 /nfs/dbraw/zinc/24/97/80/240249780.db2.gz VILOTEVKXPLQDM-IOBAAEILSA-N 1 1 304.390 3.355 20 5 DGBDMO Cc1ccc(C[N@H+]2CCC[C@@H]2[C@@H]2CCC[C@H]2O)cc1[N+](=O)[O-] ZINC000449463830 240223101 /nfs/dbraw/zinc/22/31/01/240223101.db2.gz WXXXCULGNXIGJX-ZMSDIMECSA-N 1 1 304.390 3.029 20 5 DGBDMO CCO[C@@H]1CC[N@@H+](C/C=C/c2ccccc2[N+](=O)[O-])C[C@@H]1C ZINC000449493524 240243898 /nfs/dbraw/zinc/24/38/98/240243898.db2.gz LOOXNOSRSGQVKM-KLYJYZACSA-N 1 1 304.390 3.355 20 5 DGBDMO C/C(=C/c1cccc([N+](=O)[O-])c1)C[NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC000449560053 240287604 /nfs/dbraw/zinc/28/76/04/240287604.db2.gz FKBXZNOBOGOERA-PYNFMYHXSA-N 1 1 315.417 3.213 20 5 DGBDMO C/C(=C/c1cccc([N+](=O)[O-])c1)CNC1C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC000449560053 240287610 /nfs/dbraw/zinc/28/76/10/240287610.db2.gz FKBXZNOBOGOERA-PYNFMYHXSA-N 1 1 315.417 3.213 20 5 DGBDMO C/C(=C/c1cccc([N+](=O)[O-])c1)CNC1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC000449560053 240287612 /nfs/dbraw/zinc/28/76/12/240287612.db2.gz FKBXZNOBOGOERA-PYNFMYHXSA-N 1 1 315.417 3.213 20 5 DGBDMO CC[N@H+]1CC[C@H]2CC[C@@H](C1)N2C/C=C/c1ccccc1[N+](=O)[O-] ZINC000091892379 193123105 /nfs/dbraw/zinc/12/31/05/193123105.db2.gz AAHXIQCQTFFJTH-PRPGUUAMSA-N 1 1 315.417 3.167 20 5 DGBDMO C[C@@H]1C[N@H+](Cc2ccc(-c3ccccc3[N+](=O)[O-])o2)[C@H](C)CO1 ZINC000092017670 193143088 /nfs/dbraw/zinc/14/30/88/193143088.db2.gz SPLOMQICKMIYIM-CHWSQXEVSA-N 1 1 316.357 3.464 20 5 DGBDMO C[C@@H]1C[N@@H+](Cc2ccc(-c3ccccc3[N+](=O)[O-])o2)[C@H](C)CO1 ZINC000092017670 193143089 /nfs/dbraw/zinc/14/30/89/193143089.db2.gz SPLOMQICKMIYIM-CHWSQXEVSA-N 1 1 316.357 3.464 20 5 DGBDMO CC(C)C[C@@]1(C)CCC[N@H+]1Cc1ccc(C(N)=O)cc1[N+](=O)[O-] ZINC000451291587 241072202 /nfs/dbraw/zinc/07/22/02/241072202.db2.gz PUJRTEQMQULHKN-QGZVFWFLSA-N 1 1 319.405 3.094 20 5 DGBDMO CC(C)c1ccc(CN(C)C[C@H]2CCC[N@@H+](C)C2)cc1[N+](=O)[O-] ZINC000092253673 193180198 /nfs/dbraw/zinc/18/01/98/193180198.db2.gz XFFXYEAGEPRDOQ-INIZCTEOSA-N 1 1 319.449 3.492 20 5 DGBDMO C[C@@H]1C[N@@H+](Cc2ccc(-c3cccc([N+](=O)[O-])c3)o2)CC[C@@H]1O ZINC000190047438 432117261 /nfs/dbraw/zinc/11/72/61/432117261.db2.gz PFMHNSLPRXTFNE-WBMJQRKESA-N 1 1 316.357 3.058 20 5 DGBDMO C/C(=C/c1cccc([N+](=O)[O-])c1)CNCC[N@H+]1CCC[C@@H](C)C1 ZINC000468636380 244056889 /nfs/dbraw/zinc/05/68/89/244056889.db2.gz AGBKSCZSGKCWQN-DFSFMLJYSA-N 1 1 317.433 3.320 20 5 DGBDMO C/C(=C/c1cccc([N+](=O)[O-])c1)CNCC[N@@H+]1CCC[C@@H](C)C1 ZINC000468636380 244056896 /nfs/dbraw/zinc/05/68/96/244056896.db2.gz AGBKSCZSGKCWQN-DFSFMLJYSA-N 1 1 317.433 3.320 20 5 DGBDMO CCC[N@@H+](CC(=O)OCC)C/C(C)=C\c1cccc([N+](=O)[O-])c1 ZINC000470174120 244153659 /nfs/dbraw/zinc/15/36/59/244153659.db2.gz QOKIHYQSXIIDJE-UVTDQMKNSA-N 1 1 320.389 3.273 20 5 DGBDMO CCC[N@H+](CC(=O)OCC)C/C(C)=C\c1cccc([N+](=O)[O-])c1 ZINC000470174120 244153663 /nfs/dbraw/zinc/15/36/63/244153663.db2.gz QOKIHYQSXIIDJE-UVTDQMKNSA-N 1 1 320.389 3.273 20 5 DGBDMO C/C(=C\c1cccc([N+](=O)[O-])c1)C[N@@H+]1C[C@@H](C)OC(C)(C)C1 ZINC000470179193 244156593 /nfs/dbraw/zinc/15/65/93/244156593.db2.gz UDCDELSQIFBUJQ-MAUPQMMJSA-N 1 1 304.390 3.497 20 5 DGBDMO CC[C@@]1(CO)CCC[N@@H+](C/C(C)=C/c2cccc([N+](=O)[O-])c2)C1 ZINC000470203110 244160118 /nfs/dbraw/zinc/16/01/18/244160118.db2.gz AKAICSUYPALKGW-SPQRHKFCSA-N 1 1 318.417 3.483 20 5 DGBDMO C[C@H]1C[N@@H+](Cc2ccc(-c3ccc([N+](=O)[O-])cc3)o2)CC[C@@H]1O ZINC000190062705 432119724 /nfs/dbraw/zinc/11/97/24/432119724.db2.gz XEXMEHOSGSGYLB-LRDDRELGSA-N 1 1 316.357 3.058 20 5 DGBDMO C[C@H]1C[N@@H+](C)CC[C@@H]1N(C)Cc1cc([N+](=O)[O-])ccc1Cl ZINC000275065230 212102593 /nfs/dbraw/zinc/10/25/93/212102593.db2.gz JMIQSDMJZUBISM-NHYWBVRUSA-N 1 1 311.813 3.020 20 5 DGBDMO C[N@H+](C/C=C/c1ccccc1[N+](=O)[O-])CCC(=O)OC(C)(C)C ZINC000093686552 193290236 /nfs/dbraw/zinc/29/02/36/193290236.db2.gz ILMPKJVYFFVOKS-VQHVLOKHSA-N 1 1 320.389 3.272 20 5 DGBDMO CCC[C@H]1CCC[N@@H+](CCC(=O)Nc2ccccc2[N+](=O)[O-])C1 ZINC000120837798 284179613 /nfs/dbraw/zinc/17/96/13/284179613.db2.gz MCEOOPCCUDAAKH-AWEZNQCLSA-N 1 1 319.405 3.436 20 5 DGBDMO COCC[N@@H+](Cc1ccc(OC)c([N+](=O)[O-])c1)[C@H]1CCC[C@@H]1C ZINC000488062781 245141284 /nfs/dbraw/zinc/14/12/84/245141284.db2.gz OTCVHTXPPZYQFR-ZFWWWQNUSA-N 1 1 322.405 3.240 20 5 DGBDMO O=[N+]([O-])c1ccc(Cl)cc1C[NH2+][C@H](CCO)c1ccccc1 ZINC000271668078 209112373 /nfs/dbraw/zinc/11/23/73/209112373.db2.gz MJPRBWAMFCDOQQ-OAHLLOKOSA-N 1 1 320.776 3.462 20 5 DGBDMO Cn1cnc2cc(C[N@@H+](C)CCc3cccc([N+](=O)[O-])c3)ccc21 ZINC000282978478 217364638 /nfs/dbraw/zinc/36/46/38/217364638.db2.gz JDUTXDKRTNXXMK-UHFFFAOYSA-N 1 1 324.384 3.156 20 5 DGBDMO CC[C@H](N[C@H]1CC[N@H+]2CCCC[C@H]12)c1cccc([N+](=O)[O-])c1 ZINC000268775134 432129958 /nfs/dbraw/zinc/12/99/58/432129958.db2.gz NMSSVPCCDBGELC-YESZJQIVSA-N 1 1 303.406 3.262 20 5 DGBDMO CC[C@H]([NH2+][C@H]1CCN2CCCC[C@H]12)c1cccc([N+](=O)[O-])c1 ZINC000268775134 432129962 /nfs/dbraw/zinc/12/99/62/432129962.db2.gz NMSSVPCCDBGELC-YESZJQIVSA-N 1 1 303.406 3.262 20 5 DGBDMO Cc1c(C[N@H+](C)[C@H]2CCCc3c2cnn3C)cccc1[N+](=O)[O-] ZINC000135628965 432130343 /nfs/dbraw/zinc/13/03/43/432130343.db2.gz OBAQNXUYKDRLKL-INIZCTEOSA-N 1 1 314.389 3.146 20 5 DGBDMO CCC[N@@H+](Cc1c(Cl)cccc1[N+](=O)[O-])CC(C)(C)O ZINC000493907672 246095495 /nfs/dbraw/zinc/09/54/95/246095495.db2.gz PFMYZCGQEIXLTJ-UHFFFAOYSA-N 1 1 300.786 3.231 20 5 DGBDMO C[N@@H+](Cc1c(Cl)cccc1[N+](=O)[O-])C[C@@H]1CCCC[C@H]1O ZINC000494791150 246192083 /nfs/dbraw/zinc/19/20/83/246192083.db2.gz NWOYZARXODGZHT-XHDPSFHLSA-N 1 1 312.797 3.231 20 5 DGBDMO C[N@H+](Cc1c(Cl)cccc1[N+](=O)[O-])C[C@@H]1CCCC[C@H]1O ZINC000494791150 246192085 /nfs/dbraw/zinc/19/20/85/246192085.db2.gz NWOYZARXODGZHT-XHDPSFHLSA-N 1 1 312.797 3.231 20 5 DGBDMO O=[N+]([O-])c1ccc(Cl)c(C[N@H+]2CC[C@H]3OCCC[C@H]3C2)c1 ZINC000246480306 432136492 /nfs/dbraw/zinc/13/64/92/432136492.db2.gz DEVOATOBVIVDKA-XHDPSFHLSA-N 1 1 310.781 3.249 20 5 DGBDMO O=[N+]([O-])c1ccc(Cl)c(C[N@@H+]2CCC[C@@H]2[C@H]2CCCO2)c1 ZINC000284695781 218137395 /nfs/dbraw/zinc/13/73/95/218137395.db2.gz IFAPBQVEDKZTHQ-HUUCEWRRSA-N 1 1 310.781 3.392 20 5 DGBDMO O=[N+]([O-])c1ccc(Cl)c(C[N@H+]2CCC[C@@H]2[C@H]2CCCO2)c1 ZINC000284695781 218137397 /nfs/dbraw/zinc/13/73/97/218137397.db2.gz IFAPBQVEDKZTHQ-HUUCEWRRSA-N 1 1 310.781 3.392 20 5 DGBDMO COc1ccccc1C[N@@H+](C)CCOc1ccc([N+](=O)[O-])cc1 ZINC000065208630 184314665 /nfs/dbraw/zinc/31/46/65/184314665.db2.gz MTYYWALPSFZVEL-UHFFFAOYSA-N 1 1 316.357 3.114 20 5 DGBDMO C[C@@H]1C[N@@H+](CCC(=O)Nc2ccccc2[N+](=O)[O-])CC(C)(C)C1 ZINC000337310881 253083708 /nfs/dbraw/zinc/08/37/08/253083708.db2.gz BPTXONYMVOPJRJ-ZDUSSCGKSA-N 1 1 319.405 3.291 20 5 DGBDMO CC(C)(C)[C@H]1CCC[N@H+]1CCC(=O)Nc1ccccc1[N+](=O)[O-] ZINC000337240770 253068420 /nfs/dbraw/zinc/06/84/20/253068420.db2.gz FNRRKOSHPZNMOG-OAHLLOKOSA-N 1 1 319.405 3.434 20 5 DGBDMO C[N@@H+](CCC(=O)Nc1ccccc1[N+](=O)[O-])[C@H]1CCC(C)(C)C1 ZINC000337457597 253119774 /nfs/dbraw/zinc/11/97/74/253119774.db2.gz IOZPZJIRIOKHFW-ZDUSSCGKSA-N 1 1 319.405 3.434 20 5 DGBDMO Cc1nc(N[C@H](C)[C@@H]2CCC[N@H+](C3CCC3)C2)ccc1[N+](=O)[O-] ZINC000272904190 210290158 /nfs/dbraw/zinc/29/01/58/210290158.db2.gz IZXZSJPNLMQBHQ-TZMCWYRMSA-N 1 1 318.421 3.363 20 5 DGBDMO O=[N+]([O-])c1ccc([C@H]2CCC[N@@H+](CC[C@@H]3CCCO3)C2)cc1 ZINC000451544410 285139531 /nfs/dbraw/zinc/13/95/31/285139531.db2.gz FFRUPPDNNBQICH-RDJZCZTQSA-N 1 1 304.390 3.343 20 5 DGBDMO COc1ccc(C[NH2+][C@@H]2c3ccccc3O[C@H]2C)cc1[N+](=O)[O-] ZINC000288682546 220344949 /nfs/dbraw/zinc/34/49/49/220344949.db2.gz XFZRDXQORYBVPM-GTNSWQLSSA-N 1 1 314.341 3.215 20 5 DGBDMO Cn1cc(Cl)cc1C[N@@H+](C)CCc1ccc([N+](=O)[O-])cc1 ZINC000120290828 195136384 /nfs/dbraw/zinc/13/63/84/195136384.db2.gz HCDQPGMRBWLAFH-UHFFFAOYSA-N 1 1 307.781 3.261 20 5 DGBDMO O=[N+]([O-])c1ccccc1C[N@H+]1CC2(CCC2)[C@@H]1C1CCOCC1 ZINC000425370793 285159839 /nfs/dbraw/zinc/15/98/39/285159839.db2.gz KGYITASYSINNSB-KRWDZBQOSA-N 1 1 316.401 3.376 20 5 DGBDMO C[N@@H+]1CC=C(CNc2ccc([N+](=O)[O-])c(C(F)(F)F)c2)CC1 ZINC000342793481 254052241 /nfs/dbraw/zinc/05/22/41/254052241.db2.gz ZNKBUFDMPADZRQ-UHFFFAOYSA-N 1 1 315.295 3.287 20 5 DGBDMO CC[N@H+](C)[C@@H](C(=O)Nc1cccc([N+](=O)[O-])c1)c1ccccc1 ZINC000342811079 254056087 /nfs/dbraw/zinc/05/60/87/254056087.db2.gz ZOTHOSYYUNXVQP-MRXNPFEDSA-N 1 1 313.357 3.226 20 5 DGBDMO CC[N@@H+](C)[C@@H](C(=O)Nc1cccc([N+](=O)[O-])c1)c1ccccc1 ZINC000342811079 254056089 /nfs/dbraw/zinc/05/60/89/254056089.db2.gz ZOTHOSYYUNXVQP-MRXNPFEDSA-N 1 1 313.357 3.226 20 5 DGBDMO C[C@@H](C(=O)Nc1cccc([N+](=O)[O-])c1)[N@H+]1CCC[C@@H](C2CC2)C1 ZINC000343993505 254210645 /nfs/dbraw/zinc/21/06/45/254210645.db2.gz OJUCGVVCGJARDX-GXTWGEPZSA-N 1 1 317.389 3.044 20 5 DGBDMO Cc1ccn2cc(C[NH2+][C@H](C)c3cccc([N+](=O)[O-])c3)nc2c1 ZINC000344021580 254214244 /nfs/dbraw/zinc/21/42/44/254214244.db2.gz PHZGKNJZWWDDCP-CYBMUJFWSA-N 1 1 310.357 3.402 20 5 DGBDMO C/C(=C/c1cccc([N+](=O)[O-])c1)CNCCC[NH+]1CCCC1 ZINC000344796744 254306195 /nfs/dbraw/zinc/30/61/95/254306195.db2.gz VJFQCORWISAVSP-QINSGFPZSA-N 1 1 303.406 3.074 20 5 DGBDMO C[C@@H](CCc1ccccc1[N+](=O)[O-])[NH2+][C@H]1CCCc2c[nH]nc21 ZINC000271565834 209017704 /nfs/dbraw/zinc/01/77/04/209017704.db2.gz XUWAPMTXARNWPA-WFASDCNBSA-N 1 1 314.389 3.306 20 5 DGBDMO O=[N+]([O-])c1ccccc1C[N@@H+]1CC2(CCC2)[C@@H]1[C@H]1CCCO1 ZINC000289647202 221127757 /nfs/dbraw/zinc/12/77/57/221127757.db2.gz SUULGFDOTCJORI-CVEARBPZSA-N 1 1 302.374 3.128 20 5 DGBDMO O=[N+]([O-])c1ccccc1C[N@H+]1CC2(CCC2)[C@@H]1[C@H]1CCCO1 ZINC000289647202 221127760 /nfs/dbraw/zinc/12/77/60/221127760.db2.gz SUULGFDOTCJORI-CVEARBPZSA-N 1 1 302.374 3.128 20 5 DGBDMO O=[N+]([O-])c1ccc(C[N@H+]2CC3(CCC3)[C@@H]2[C@H]2CCCO2)cc1 ZINC000289636288 221119992 /nfs/dbraw/zinc/11/99/92/221119992.db2.gz SFXWVVUXBBZFKH-CVEARBPZSA-N 1 1 302.374 3.128 20 5 DGBDMO CCOc1cc(C[N@@H+]2CCC(F)(F)[C@@H](C)C2)ccc1[N+](=O)[O-] ZINC000289813811 221244566 /nfs/dbraw/zinc/24/45/66/221244566.db2.gz NRIQXVYJHCBUGG-NSHDSACASA-N 1 1 314.332 3.471 20 5 DGBDMO CCOc1cc(C[N@H+]2CCC(F)(F)[C@@H](C)C2)ccc1[N+](=O)[O-] ZINC000289813811 221244569 /nfs/dbraw/zinc/24/45/69/221244569.db2.gz NRIQXVYJHCBUGG-NSHDSACASA-N 1 1 314.332 3.471 20 5 DGBDMO COCC[N@H+](Cc1csc([N+](=O)[O-])c1)[C@@H]1CCCSC1 ZINC000433194824 533337663 /nfs/dbraw/zinc/33/76/63/533337663.db2.gz ZBNYBUMKTWDRND-GFCCVEGCSA-N 1 1 316.448 3.000 20 5 DGBDMO COCC[N@@H+](Cc1csc([N+](=O)[O-])c1)[C@@H]1CCCSC1 ZINC000433194824 533337669 /nfs/dbraw/zinc/33/76/69/533337669.db2.gz ZBNYBUMKTWDRND-GFCCVEGCSA-N 1 1 316.448 3.000 20 5 DGBDMO C/C(=C/c1cccc([N+](=O)[O-])c1)C[N@H+]1CC[C@H]([C@H]2CCOC2)C1 ZINC000470178927 533383767 /nfs/dbraw/zinc/38/37/67/533383767.db2.gz PVYOXFYNAQKIOM-ZHKWONLHSA-N 1 1 316.401 3.357 20 5 DGBDMO C[C@H](O)[C@H]1CC[N@@H+](Cc2cc(=O)oc3ccc4ccccc4c23)C1 ZINC000272551680 130041149 /nfs/dbraw/zinc/04/11/49/130041149.db2.gz KRSZQASGGSRDDI-ZFWWWQNUSA-N 1 1 323.392 3.149 20 5 DGBDMO CC(C)(C)[N@@H+]1CC[C@@H](N[C@@H]2CCCc3ccc([N+](=O)[O-])cc32)C1 ZINC000595056401 400093063 /nfs/dbraw/zinc/09/30/63/400093063.db2.gz GYTLFXZAWNACAI-RHSMWYFYSA-N 1 1 317.433 3.435 20 5 DGBDMO CC(C)(C)[N@H+]1CC[C@@H](N[C@@H]2CCCc3ccc([N+](=O)[O-])cc32)C1 ZINC000595056401 400093066 /nfs/dbraw/zinc/09/30/66/400093066.db2.gz GYTLFXZAWNACAI-RHSMWYFYSA-N 1 1 317.433 3.435 20 5 DGBDMO CC(C)(C)[N@@H+]1CC[C@H](N[C@H]2CCc3c2cccc3[N+](=O)[O-])C1 ZINC000595056686 400093547 /nfs/dbraw/zinc/09/35/47/400093547.db2.gz QODUYMDZGOGSMQ-WFASDCNBSA-N 1 1 303.406 3.045 20 5 DGBDMO CC(C)(C)[N@H+]1CC[C@H](N[C@H]2CCc3c2cccc3[N+](=O)[O-])C1 ZINC000595056686 400093553 /nfs/dbraw/zinc/09/35/53/400093553.db2.gz QODUYMDZGOGSMQ-WFASDCNBSA-N 1 1 303.406 3.045 20 5 DGBDMO Cn1ccnc1[C@H]([NH2+]CCC(C)(C)F)c1ccc([N+](=O)[O-])cc1 ZINC000595089604 400102560 /nfs/dbraw/zinc/10/25/60/400102560.db2.gz UCYIQBCXHWERIF-CQSZACIVSA-N 1 1 320.368 3.146 20 5 DGBDMO O=[N+]([O-])c1cc(F)ccc1C[N@@H+]1CCCC[C@@H]1[C@@H]1CCC[C@H]1O ZINC000595510038 400173476 /nfs/dbraw/zinc/17/34/76/400173476.db2.gz JHLPXTGSQZTRCZ-ZMSDIMECSA-N 1 1 322.380 3.249 20 5 DGBDMO O=[N+]([O-])c1cc(Cl)ccc1C[N@@H+](C1CC1)C1(CO)CCC1 ZINC000595532750 400179106 /nfs/dbraw/zinc/17/91/06/400179106.db2.gz AIYUGNRRGFZPIW-UHFFFAOYSA-N 1 1 310.781 3.128 20 5 DGBDMO Cc1noc(C[N@H+]2CCC[C@H]2Cc2ccccc2C)c1[N+](=O)[O-] ZINC000595316339 400125184 /nfs/dbraw/zinc/12/51/84/400125184.db2.gz AXLBTBZNWVMCTN-HNNXBMFYSA-N 1 1 315.373 3.407 20 5 DGBDMO Cc1ccc(C)n1C1CC[NH+](Cc2onc(C)c2[N+](=O)[O-])CC1 ZINC000595309104 400125264 /nfs/dbraw/zinc/12/52/64/400125264.db2.gz PKWNEIWZDGTWRT-UHFFFAOYSA-N 1 1 318.377 3.147 20 5 DGBDMO Cc1noc(C[N@H+]2CC[C@H](Cc3ccc(F)cc3)C2)c1[N+](=O)[O-] ZINC000595321446 400126344 /nfs/dbraw/zinc/12/63/44/400126344.db2.gz LWTPQNWOFDVJQQ-CYBMUJFWSA-N 1 1 319.336 3.095 20 5 DGBDMO O=[N+]([O-])c1ccc(N[C@@H]2CC[N@@H+](CCCC3CCC3)C2)nc1 ZINC000595370916 400134803 /nfs/dbraw/zinc/13/48/03/400134803.db2.gz LVFFGMSPYXYOSJ-CQSZACIVSA-N 1 1 304.394 3.056 20 5 DGBDMO CC[N@@H+](Cc1ccc([N+](=O)[O-])cc1)Cc1ccc2c(c1)OCO2 ZINC000011351387 400142494 /nfs/dbraw/zinc/14/24/94/400142494.db2.gz ZXUNSEMZPFXMGA-UHFFFAOYSA-N 1 1 314.341 3.346 20 5 DGBDMO COc1cc(C[NH2+]C(C)(C)c2ccc([N+](=O)[O-])cc2)sn1 ZINC000595420635 400143984 /nfs/dbraw/zinc/14/39/84/400143984.db2.gz PSVJXRIDHSYBFF-UHFFFAOYSA-N 1 1 307.375 3.085 20 5 DGBDMO CCC[N@H+]1CC[C@@H](CNc2ccc([N+](=O)[O-])c(OCC)c2)C1 ZINC000092621874 400187064 /nfs/dbraw/zinc/18/70/64/400187064.db2.gz AFZSGEBPQBOBJY-ZDUSSCGKSA-N 1 1 307.394 3.137 20 5 DGBDMO CC[C@H]1Cc2ccccc2C[N@@H+]1Cc1onc(C)c1[N+](=O)[O-] ZINC000595440409 400151281 /nfs/dbraw/zinc/15/12/81/400151281.db2.gz JIQORAMGUHZWCU-AWEZNQCLSA-N 1 1 301.346 3.228 20 5 DGBDMO CC[C@H]1Cc2ccccc2C[N@H+]1Cc1onc(C)c1[N+](=O)[O-] ZINC000595440409 400151285 /nfs/dbraw/zinc/15/12/85/400151285.db2.gz JIQORAMGUHZWCU-AWEZNQCLSA-N 1 1 301.346 3.228 20 5 DGBDMO COc1cccc(C[N@H+](C)Cc2cc([N+](=O)[O-])ccc2OC)c1 ZINC000015294543 400162768 /nfs/dbraw/zinc/16/27/68/400162768.db2.gz NURNZJHPRBHECK-UHFFFAOYSA-N 1 1 316.357 3.244 20 5 DGBDMO COc1cccc(C[N@@H+](C)Cc2cc([N+](=O)[O-])ccc2OC)c1 ZINC000015294543 400162771 /nfs/dbraw/zinc/16/27/71/400162771.db2.gz NURNZJHPRBHECK-UHFFFAOYSA-N 1 1 316.357 3.244 20 5 DGBDMO C[C@H](O)C[C@@H]1CCCCC[N@H+]1Cc1ccc(F)cc1[N+](=O)[O-] ZINC000595494375 400167744 /nfs/dbraw/zinc/16/77/44/400167744.db2.gz XVRLMQBWSRPPDK-WFASDCNBSA-N 1 1 310.369 3.249 20 5 DGBDMO C[C@H](O)C[C@H]1CCCCC[N@H+]1Cc1ccc(F)cc1[N+](=O)[O-] ZINC000595494373 400168056 /nfs/dbraw/zinc/16/80/56/400168056.db2.gz XVRLMQBWSRPPDK-SWLSCSKDSA-N 1 1 310.369 3.249 20 5 DGBDMO CCO[C@H]1CCN(c2cc[nH+]c3ccc([N+](=O)[O-])cc32)C[C@@H]1C ZINC000601171812 400255932 /nfs/dbraw/zinc/25/59/32/400255932.db2.gz QKHPQWBCKWEWKD-SJCJKPOMSA-N 1 1 315.373 3.394 20 5 DGBDMO C[C@@H]([NH2+]CCN1C[C@H](C)C[C@@H](C)C1)c1cccc([N+](=O)[O-])c1 ZINC000610420408 400256066 /nfs/dbraw/zinc/25/60/66/400256066.db2.gz QZONDXQQMWDUIU-RBSFLKMASA-N 1 1 305.422 3.223 20 5 DGBDMO C[N@@H+](Cc1ccccc1)[C@H]1CCN(c2ccccc2[N+](=O)[O-])C1 ZINC000610281710 400234177 /nfs/dbraw/zinc/23/41/77/400234177.db2.gz AIJBQESSWFIHCE-INIZCTEOSA-N 1 1 311.385 3.306 20 5 DGBDMO CC[C@@H]1CN(c2cc[nH+]c3ccc([N+](=O)[O-])cc32)C[C@H](C)O1 ZINC000601116862 400238192 /nfs/dbraw/zinc/23/81/92/400238192.db2.gz ZJEFZCRCZQSRON-WCQYABFASA-N 1 1 301.346 3.147 20 5 DGBDMO O=[N+]([O-])c1ccc2[nH+]ccc(N3CCC[C@H](n4ccnc4)C3)c2c1 ZINC000601115041 400238213 /nfs/dbraw/zinc/23/82/13/400238213.db2.gz YEYMZDHQPVZAAV-AWEZNQCLSA-N 1 1 323.356 3.181 20 5 DGBDMO CCC[C@H]1CN(c2cc[nH+]c3ccc([N+](=O)[O-])cc32)CCO1 ZINC000601134533 400244301 /nfs/dbraw/zinc/24/43/01/400244301.db2.gz CWZIDSFXRXAESD-ZDUSSCGKSA-N 1 1 301.346 3.148 20 5 DGBDMO C[C@H]([NH2+]Cc1cnnn1-c1ccccc1)c1cccc([N+](=O)[O-])c1 ZINC000588965420 400251498 /nfs/dbraw/zinc/25/14/98/400251498.db2.gz XCWQCYOKZCJDQF-ZDUSSCGKSA-N 1 1 323.356 3.026 20 5 DGBDMO Cc1noc(C[N@@H+]2CC[C@](C)(c3cccc(F)c3)C2)c1[N+](=O)[O-] ZINC000595569222 400190937 /nfs/dbraw/zinc/19/09/37/400190937.db2.gz PORJIZNNMQGEKA-INIZCTEOSA-N 1 1 319.336 3.194 20 5 DGBDMO Cc1noc(C[N@H+]2CC[C@](C)(c3cccc(F)c3)C2)c1[N+](=O)[O-] ZINC000595569222 400190943 /nfs/dbraw/zinc/19/09/43/400190943.db2.gz PORJIZNNMQGEKA-INIZCTEOSA-N 1 1 319.336 3.194 20 5 DGBDMO C[C@H]1C[C@H](Nc2ccc([N+](=O)[O-])c3cccnc23)C[N@H+]1C1CC1 ZINC000092672339 400192489 /nfs/dbraw/zinc/19/24/89/400192489.db2.gz UUWOJZJFADDQJB-RYUDHWBXSA-N 1 1 312.373 3.180 20 5 DGBDMO CCOc1cc(N[C@@H]2C[C@H](C)[N@H+](C3CC3)C2)ccc1[N+](=O)[O-] ZINC000092672295 400192550 /nfs/dbraw/zinc/19/25/50/400192550.db2.gz MQUHHNKKEVJERL-WCQYABFASA-N 1 1 305.378 3.031 20 5 DGBDMO Cc1cc([N+](=O)[O-])ccc1NC(=O)C[N@H+]1CCC[C@@H]1C1CCC1 ZINC000610390807 400253689 /nfs/dbraw/zinc/25/36/89/400253689.db2.gz BNUQEHCXALUZKW-MRXNPFEDSA-N 1 1 317.389 3.106 20 5 DGBDMO CC[C@H](C)[N@@H+](CC)CC(=O)Nc1ccc(Cl)cc1[N+](=O)[O-] ZINC000595593066 400197249 /nfs/dbraw/zinc/19/72/49/400197249.db2.gz MXEISXYGIFQPMS-JTQLQIEISA-N 1 1 313.785 3.307 20 5 DGBDMO O=[N+]([O-])c1ccc(C(F)(F)F)c(C[N@@H+]2CC[C@@H]3C[C@@H]3C2)c1 ZINC000595812767 400266629 /nfs/dbraw/zinc/26/66/29/400266629.db2.gz YRCFZRVEIHTOOT-NXEZZACHSA-N 1 1 300.280 3.455 20 5 DGBDMO O=[N+]([O-])c1ccc(C(F)(F)F)c(C[N@H+]2CC[C@@H]3C[C@@H]3C2)c1 ZINC000595812767 400266632 /nfs/dbraw/zinc/26/66/32/400266632.db2.gz YRCFZRVEIHTOOT-NXEZZACHSA-N 1 1 300.280 3.455 20 5 DGBDMO C[C@@H]1C[N@@H+](C)CC[C@@H]1N(C)Cc1ccc([N+](=O)[O-])cc1Cl ZINC000589206403 400277383 /nfs/dbraw/zinc/27/73/83/400277383.db2.gz VSWGIQPDMCPMLT-ABAIWWIYSA-N 1 1 311.813 3.020 20 5 DGBDMO O=[N+]([O-])c1ccc2[nH]c(C[N@H+]3CCC[C@@H](C4CCC4)C3)nc2c1 ZINC000595837690 400277909 /nfs/dbraw/zinc/27/79/09/400277909.db2.gz RCKZPCDUJXCWGP-CYBMUJFWSA-N 1 1 314.389 3.483 20 5 DGBDMO COc1ccc([N+](=O)[O-])cc1C[NH2+][C@H]1CCCc2ncccc21 ZINC000601267633 400278102 /nfs/dbraw/zinc/27/81/02/400278102.db2.gz OYSPUCMJSPEDID-INIZCTEOSA-N 1 1 313.357 3.166 20 5 DGBDMO CCCCC[C@H]1CCCC[N@H+]1CCn1cc([N+](=O)[O-])ccc1=O ZINC000595869536 400283784 /nfs/dbraw/zinc/28/37/84/400283784.db2.gz BHGLYCOGRQQWLW-HNNXBMFYSA-N 1 1 321.421 3.191 20 5 DGBDMO Cc1c(C[NH2+][C@H](CO)c2ccc(F)cc2F)cccc1[N+](=O)[O-] ZINC000595868227 400284319 /nfs/dbraw/zinc/28/43/19/400284319.db2.gz UNZUFTYZJQMEJT-OAHLLOKOSA-N 1 1 322.311 3.005 20 5 DGBDMO O=[N+]([O-])c1cccc(C[N@H+]2CCCN3c4ccccc4C[C@@H]3C2)c1 ZINC000589280624 400285027 /nfs/dbraw/zinc/28/50/27/400285027.db2.gz VHRDVCIJJRITBS-GOSISDBHSA-N 1 1 323.396 3.232 20 5 DGBDMO C[N@H+](Cc1nnc(-c2ccc([N+](=O)[O-])cc2)o1)C[C@@H]1CC1(C)C ZINC000595910819 400292447 /nfs/dbraw/zinc/29/24/47/400292447.db2.gz BZSHUXCORDUGAA-LBPRGKRZSA-N 1 1 316.361 3.123 20 5 DGBDMO CCC[C@H](C)[N@@H+](C)CCC(=O)Nc1cc([N+](=O)[O-])ccc1OC ZINC000030270604 400323565 /nfs/dbraw/zinc/32/35/65/400323565.db2.gz GMIGAPQKDMMAJJ-LBPRGKRZSA-N 1 1 323.393 3.052 20 5 DGBDMO CC(C)[N@H+]1CCCN(c2ccc([N+](=O)[O-])c3cnccc32)CC1 ZINC000068916464 400299735 /nfs/dbraw/zinc/29/97/35/400299735.db2.gz QTSQDALMVGYTRG-UHFFFAOYSA-N 1 1 314.389 3.064 20 5 DGBDMO C[N@@H+](CC(=O)Nc1ccccc1[N+](=O)[O-])C1CCCCCC1 ZINC000029166256 400300009 /nfs/dbraw/zinc/30/00/09/400300009.db2.gz RKQVDMNJYWOEBB-UHFFFAOYSA-N 1 1 305.378 3.188 20 5 DGBDMO CCC[N@@H+](CCn1c(C)ncc1[N+](=O)[O-])Cc1ccccc1 ZINC000610782665 400305057 /nfs/dbraw/zinc/30/50/57/400305057.db2.gz GTAFKFOJKKIAEA-UHFFFAOYSA-N 1 1 302.378 3.012 20 5 DGBDMO CCC[N@@H+](CC)C[C@@H](C)Nc1ncnc2ccc([N+](=O)[O-])cc21 ZINC000589609009 400309748 /nfs/dbraw/zinc/30/97/48/400309748.db2.gz IRRFHMIJYFEXRJ-GFCCVEGCSA-N 1 1 317.393 3.070 20 5 DGBDMO O=[N+]([O-])c1ccccc1C[N@H+]1CCC[C@H]([C@H]2CCCCO2)C1 ZINC000595784531 400258178 /nfs/dbraw/zinc/25/81/78/400258178.db2.gz AZUAFKRUOUCTOT-DOTOQJQBSA-N 1 1 304.390 3.376 20 5 DGBDMO CC[C@H](C)[C@H](C)[N@@H+](CC(=O)Nc1ccccc1[N+](=O)[O-])C1CC1 ZINC000106439911 400326421 /nfs/dbraw/zinc/32/64/21/400326421.db2.gz GSGBAHGKMXKLIP-STQMWFEESA-N 1 1 319.405 3.432 20 5 DGBDMO O=[N+]([O-])c1sccc1N1CC[C@@H]2[C@@H](CCC[N@H+]2C2CC2)C1 ZINC000610946713 400327203 /nfs/dbraw/zinc/32/72/03/400327203.db2.gz SRRZORVQWDNRSP-WCQYABFASA-N 1 1 307.419 3.109 20 5 DGBDMO COc1cc(N[C@@H]2CC[N@@H+](C)[C@H](C)C2)c(Cl)cc1[N+](=O)[O-] ZINC000596144398 400329255 /nfs/dbraw/zinc/32/92/55/400329255.db2.gz CZONISUQZFWOHC-NXEZZACHSA-N 1 1 313.785 3.151 20 5 DGBDMO CC[N@H+]1CCN(c2ccc(C(F)(F)F)cc2[N+](=O)[O-])C[C@@H]1C ZINC000611084422 400344385 /nfs/dbraw/zinc/34/43/85/400344385.db2.gz VTMPOOZRJORSKQ-JTQLQIEISA-N 1 1 317.311 3.144 20 5 DGBDMO O=[N+]([O-])c1ccccc1/C=C/C[N@H+]1CCOC[C@@H](C2CCC2)C1 ZINC000590053331 400350518 /nfs/dbraw/zinc/35/05/18/400350518.db2.gz RCKBHDAWYZUCGR-AUNFYEFLSA-N 1 1 316.401 3.357 20 5 DGBDMO O=[N+]([O-])c1ccc(OCCC[N@H+]2CCc3ccsc3C2)cc1 ZINC000611180985 400355084 /nfs/dbraw/zinc/35/50/84/400355084.db2.gz PCLLPDUJUKCBQM-UHFFFAOYSA-N 1 1 318.398 3.484 20 5 DGBDMO CC(C)C[N@@H+](Cc1cc2c(cc1[N+](=O)[O-])OCCO2)C(C)C ZINC000611259270 400367851 /nfs/dbraw/zinc/36/78/51/400367851.db2.gz HKQGNTWFMZOPBA-UHFFFAOYSA-N 1 1 308.378 3.232 20 5 DGBDMO CC(C)C[C@@H]1CC[N@@H+](Cc2cc3c(cc2[N+](=O)[O-])OCCO3)C1 ZINC000611271424 400371068 /nfs/dbraw/zinc/37/10/68/400371068.db2.gz BAXNIUYKKHOIMY-ZDUSSCGKSA-N 1 1 320.389 3.234 20 5 DGBDMO C[N@@H+](Cc1cn[nH]c1)Cc1ccc(-c2ccc([N+](=O)[O-])cc2)o1 ZINC000611271962 400371740 /nfs/dbraw/zinc/37/17/40/400371740.db2.gz XVYGODMNSWFBGX-UHFFFAOYSA-N 1 1 312.329 3.210 20 5 DGBDMO C[N@H+](Cc1cn[nH]c1)Cc1ccc(-c2ccc([N+](=O)[O-])cc2)o1 ZINC000611271962 400371743 /nfs/dbraw/zinc/37/17/43/400371743.db2.gz XVYGODMNSWFBGX-UHFFFAOYSA-N 1 1 312.329 3.210 20 5 DGBDMO O=[N+]([O-])c1ccccc1/C=C\C[N@H+]1CCC2(C1)CCOCC2 ZINC000611276124 400372436 /nfs/dbraw/zinc/37/24/36/400372436.db2.gz UXQBLKCRRGVHDB-HYXAFXHYSA-N 1 1 302.374 3.111 20 5 DGBDMO COCc1cc([N+](=O)[O-])ccc1NC[C@H]1CC[N@H+]1C(C)(C)C ZINC000596306588 400375803 /nfs/dbraw/zinc/37/58/03/400375803.db2.gz GVZVMGKSGGSXML-CQSZACIVSA-N 1 1 307.394 3.026 20 5 DGBDMO CC(=O)c1cc(NC[C@@H]2CC[N@H+]2C(C)(C)C)ccc1[N+](=O)[O-] ZINC000596309549 400376773 /nfs/dbraw/zinc/37/67/73/400376773.db2.gz UWXUUVKVKWLZMS-ZDUSSCGKSA-N 1 1 305.378 3.082 20 5 DGBDMO COc1ccc(C[N@H+](C)[C@@H](C)c2cc([N+](=O)[O-])ccc2C)cn1 ZINC000611516722 400414177 /nfs/dbraw/zinc/41/41/77/400414177.db2.gz GJWVJTUKQFUBDN-ZDUSSCGKSA-N 1 1 315.373 3.500 20 5 DGBDMO COc1ccc(C[N@@H+](C)[C@@H](C)c2cc([N+](=O)[O-])ccc2C)cn1 ZINC000611516722 400414181 /nfs/dbraw/zinc/41/41/81/400414181.db2.gz GJWVJTUKQFUBDN-ZDUSSCGKSA-N 1 1 315.373 3.500 20 5 DGBDMO CCCCNC(=O)CC[N@@H+](Cc1ccc([N+](=O)[O-])cc1)C(C)C ZINC000116273841 400408327 /nfs/dbraw/zinc/40/83/27/400408327.db2.gz WPEZIRQYBLGYLQ-UHFFFAOYSA-N 1 1 321.421 3.112 20 5 DGBDMO O=[N+]([O-])c1cc(C[N@H+]2CC3(CCOCC3)[C@@H]3CCC[C@@H]32)cs1 ZINC000590659564 400412276 /nfs/dbraw/zinc/41/22/76/400412276.db2.gz YALNJAWIUBPUSE-KGLIPLIRSA-N 1 1 322.430 3.437 20 5 DGBDMO C[C@@H](Nc1cccnc1[N+](=O)[O-])[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC000611583529 400427186 /nfs/dbraw/zinc/42/71/86/400427186.db2.gz MZZKANLJLYRKRQ-CHWSQXEVSA-N 1 1 304.394 3.055 20 5 DGBDMO O=[N+]([O-])c1ccsc1NC[C@@H]1CC[N@@H+]1Cc1ccccc1 ZINC000596558072 400444135 /nfs/dbraw/zinc/44/41/35/400444135.db2.gz MKNIXCGAMDZBAA-ZDUSSCGKSA-N 1 1 303.387 3.343 20 5 DGBDMO O=[N+]([O-])c1ccsc1NC[C@@H]1CC[N@H+]1Cc1ccccc1 ZINC000596558072 400444140 /nfs/dbraw/zinc/44/41/40/400444140.db2.gz MKNIXCGAMDZBAA-ZDUSSCGKSA-N 1 1 303.387 3.343 20 5 DGBDMO O=[N+]([O-])c1ccc(NC[C@H]2CC[N@H+]2Cc2ccccc2)s1 ZINC000596557577 400444338 /nfs/dbraw/zinc/44/43/38/400444338.db2.gz JQZQNCYEDOOBEQ-CYBMUJFWSA-N 1 1 303.387 3.343 20 5 DGBDMO CC(C)[N@@H+](CC(=O)Nc1ccc([N+](=O)[O-])cc1Cl)C1CC1 ZINC000074237413 400499413 /nfs/dbraw/zinc/49/94/13/400499413.db2.gz SGOUNKKSTZJRJF-UHFFFAOYSA-N 1 1 311.769 3.060 20 5 DGBDMO CC(=O)c1ccc(NCCNc2cccc(C)[nH+]2)c([N+](=O)[O-])c1 ZINC000074277666 400501572 /nfs/dbraw/zinc/50/15/72/400501572.db2.gz CWDVRAONIQMROH-UHFFFAOYSA-N 1 1 314.345 3.025 20 5 DGBDMO COc1cc(C[N@H+]2CC[C@@H](C3CCC3)C2)c([N+](=O)[O-])cc1OC ZINC000591267742 400504173 /nfs/dbraw/zinc/50/41/73/400504173.db2.gz JSWNMFYJJMIWJX-CYBMUJFWSA-N 1 1 320.389 3.234 20 5 DGBDMO CC(C)[N@H+](Cc1ccc([N+](=O)[O-])cc1)Cc1ccc(=O)[nH]c1 ZINC000602441693 400463773 /nfs/dbraw/zinc/46/37/73/400463773.db2.gz XQLAYIPEYCCVMN-UHFFFAOYSA-N 1 1 301.346 3.106 20 5 DGBDMO COCCC[N@@H+](C)Cc1ccc(C(F)(F)F)cc1[N+](=O)[O-] ZINC000602450274 400467204 /nfs/dbraw/zinc/46/72/04/400467204.db2.gz KFWYEDSTYJSZFA-UHFFFAOYSA-N 1 1 306.284 3.082 20 5 DGBDMO CC(C)[C@H]([NH3+])CCN[C@H]1CC(C)(C)c2ccc([N+](=O)[O-])cc21 ZINC000596653814 400473534 /nfs/dbraw/zinc/47/35/34/400473534.db2.gz LSFHRKKCTGYBKT-CVEARBPZSA-N 1 1 305.422 3.280 20 5 DGBDMO Cc1ncc([C@H](C)[N@@H+](C)CCc2ccccc2[N+](=O)[O-])c(C)n1 ZINC000602651041 400524571 /nfs/dbraw/zinc/52/45/71/400524571.db2.gz OOMPIUVZNLFJTJ-ZDUSSCGKSA-N 1 1 314.389 3.237 20 5 DGBDMO CC[N@@H+](C)Cc1cccc(CNc2cc(C)c([N+](=O)[O-])cn2)c1 ZINC000074742580 400531219 /nfs/dbraw/zinc/53/12/19/400531219.db2.gz SMHIUQZKTSPPPT-UHFFFAOYSA-N 1 1 314.389 3.362 20 5 DGBDMO CCCCC[N@@H+](Cc1ccc(C(N)=O)cc1[N+](=O)[O-])C(C)C ZINC000046018137 400544741 /nfs/dbraw/zinc/54/47/41/400544741.db2.gz LNBXZIKERPZJBH-UHFFFAOYSA-N 1 1 307.394 3.094 20 5 DGBDMO CC[C@@H]1C[C@H](C)C[N@H+]1Cc1nnc(-c2ccc([N+](=O)[O-])cc2)o1 ZINC000075022049 400552786 /nfs/dbraw/zinc/55/27/86/400552786.db2.gz AWUYORILFIZXPX-WCQYABFASA-N 1 1 316.361 3.265 20 5 DGBDMO CC[C@H]1C[C@H](C)C[N@H+]1Cc1cc([N+](=O)[O-])cc2c1OCOC2 ZINC000075021531 400553660 /nfs/dbraw/zinc/55/36/60/400553660.db2.gz PBQUWSFPUFVTFX-FZMZJTMJSA-N 1 1 306.362 3.082 20 5 DGBDMO O=[N+]([O-])c1ccc2[nH]c(C[N@@H+]3CC[C@@H](c4ccco4)C3)nc2c1 ZINC000618281329 400559271 /nfs/dbraw/zinc/55/92/71/400559271.db2.gz JMYBZUXALQVEGQ-LLVKDONJSA-N 1 1 312.329 3.054 20 5 DGBDMO O=[N+]([O-])c1ccc2[nH]c(C[N@H+]3CC[C@@H](c4ccco4)C3)nc2c1 ZINC000618281329 400559276 /nfs/dbraw/zinc/55/92/76/400559276.db2.gz JMYBZUXALQVEGQ-LLVKDONJSA-N 1 1 312.329 3.054 20 5 DGBDMO Cc1ncc([N+](=O)[O-])n1CC[N@H+]1CCC[C@H]1c1cccc(F)c1 ZINC000602766220 400567908 /nfs/dbraw/zinc/56/79/08/400567908.db2.gz DMOKDTYAHRRBST-HNNXBMFYSA-N 1 1 318.352 3.076 20 5 DGBDMO C[C@H]1CC2(C[N@H+]1Cc1c(F)cccc1[N+](=O)[O-])CCOCC2 ZINC000592181943 400619323 /nfs/dbraw/zinc/61/93/23/400619323.db2.gz JUKVWJKCIJBWGN-LBPRGKRZSA-N 1 1 308.353 3.125 20 5 DGBDMO Cc1ccc(C[N@@H+]2CCOC(C3CC3)(C3CC3)C2)cc1[N+](=O)[O-] ZINC000597225334 400592510 /nfs/dbraw/zinc/59/25/10/400592510.db2.gz CBAIRVRIRJJHPH-UHFFFAOYSA-N 1 1 316.401 3.294 20 5 DGBDMO Cc1ccc(C[N@H+]2CCOC(C3CC3)(C3CC3)C2)cc1[N+](=O)[O-] ZINC000597225334 400592513 /nfs/dbraw/zinc/59/25/13/400592513.db2.gz CBAIRVRIRJJHPH-UHFFFAOYSA-N 1 1 316.401 3.294 20 5 DGBDMO Cc1ccc(C[N@@H+]2C[C@]34COC[C@@]3(C2)CCCC4)cc1[N+](=O)[O-] ZINC000597248050 400599501 /nfs/dbraw/zinc/59/95/01/400599501.db2.gz KPMFVFOEPXCAIJ-HDICACEKSA-N 1 1 316.401 3.296 20 5 DGBDMO C[N@@H+](Cc1ccc(-c2ccc([N+](=O)[O-])cc2)s1)C1(CO)CC1 ZINC000597253673 400600699 /nfs/dbraw/zinc/60/06/99/400600699.db2.gz HKIJSOGPHZXZHX-UHFFFAOYSA-N 1 1 318.398 3.280 20 5 DGBDMO O=[N+]([O-])c1ccc(N[C@H]2CC[N@H+]3CCCC[C@H]23)c2ccncc21 ZINC000047272598 400608788 /nfs/dbraw/zinc/60/87/88/400608788.db2.gz LWJOJYPMVIWPMA-DOTOQJQBSA-N 1 1 312.373 3.182 20 5 DGBDMO CC[C@H]([NH2+]Cc1csc(N(C)C)n1)c1cccc([N+](=O)[O-])c1 ZINC000157133900 400714969 /nfs/dbraw/zinc/71/49/69/400714969.db2.gz REZVTMWFZPIVJF-AWEZNQCLSA-N 1 1 320.418 3.358 20 5 DGBDMO Cc1ccccc1OCC[N@H+](C)Cc1ccccc1[N+](=O)[O-] ZINC000053421590 400783205 /nfs/dbraw/zinc/78/32/05/400783205.db2.gz KEYPWTJKDUMNDW-UHFFFAOYSA-N 1 1 300.358 3.414 20 5 DGBDMO Cc1[nH+]ccn1CCCNc1ccc([N+](=O)[O-])c2cccnc12 ZINC000078333581 400789471 /nfs/dbraw/zinc/78/94/71/400789471.db2.gz RKPYHHXPAHPLMG-UHFFFAOYSA-N 1 1 311.345 3.150 20 5 DGBDMO CC(=O)c1ccc(N[C@H](C)C[N@H+]2CCC[C@H](C)C2)c([N+](=O)[O-])c1 ZINC000054981060 400846130 /nfs/dbraw/zinc/84/61/30/400846130.db2.gz YANNCHFDJNNUJU-QWHCGFSZSA-N 1 1 319.405 3.330 20 5 DGBDMO O=[N+]([O-])c1ccc(CC[N@H+]2CCOCC3(CCCC3)C2)cc1 ZINC000614222943 400856696 /nfs/dbraw/zinc/85/66/96/400856696.db2.gz TTXCXPDXOBMLGL-UHFFFAOYSA-N 1 1 304.390 3.030 20 5 DGBDMO O=[N+]([O-])c1ccc2[nH]c(C[N@H+]3CCC[C@H]4CCC[C@H]43)nc2c1 ZINC000614261516 400865686 /nfs/dbraw/zinc/86/56/86/400865686.db2.gz HXLUVZRXEZGKNV-IAQYHMDHSA-N 1 1 300.362 3.236 20 5 DGBDMO O=[N+]([O-])c1ccc2[nH]c(C[N@H+]3CCC[C@@H]4CCC[C@@H]43)nc2c1 ZINC000614261517 400866405 /nfs/dbraw/zinc/86/64/05/400866405.db2.gz HXLUVZRXEZGKNV-NHYWBVRUSA-N 1 1 300.362 3.236 20 5 DGBDMO Cc1ccc([C@H](C)[NH2+]C[C@@H]2CCCC[N@H+](C)C2)cc1[N+](=O)[O-] ZINC000599069290 400948110 /nfs/dbraw/zinc/94/81/10/400948110.db2.gz FBUASXQCMCUMCV-GJZGRUSLSA-N 1 1 305.422 3.286 20 5 DGBDMO Cc1ccc([N+](=O)[O-])cc1[C@@H](C)[NH2+]C[C@@H]1CCCC[N@H+](C)C1 ZINC000599069310 400948379 /nfs/dbraw/zinc/94/83/79/400948379.db2.gz FZGOJRYROVDBEG-CABCVRRESA-N 1 1 305.422 3.286 20 5 DGBDMO CC(C)Oc1ccc([N+](=O)[O-])cc1C[N@H+]1CCCCC[C@@H]1CO ZINC000594015220 400948589 /nfs/dbraw/zinc/94/85/89/400948589.db2.gz XXKTUVBWBBQUKE-MRXNPFEDSA-N 1 1 322.405 3.119 20 5 DGBDMO Cc1ccc([N+](=O)[O-])cc1[C@@H](C)N1C[C@@H]2CCC[C@]2(C[NH3+])C1 ZINC000593733976 400900531 /nfs/dbraw/zinc/90/05/31/400900531.db2.gz PULSOORDLKZPOF-KEYYUXOJSA-N 1 1 303.406 3.025 20 5 DGBDMO O=[N+]([O-])c1cc(CNC[C@@H]2CC[N@H+]2C2CCCCC2)cs1 ZINC000598992418 400922555 /nfs/dbraw/zinc/92/25/55/400922555.db2.gz NHTZTRIWBHUPGN-AWEZNQCLSA-N 1 1 309.435 3.153 20 5 DGBDMO O=[N+]([O-])c1cc(C[NH2+]C[C@@H]2CCN2C2CCCCC2)cs1 ZINC000598992418 400922561 /nfs/dbraw/zinc/92/25/61/400922561.db2.gz NHTZTRIWBHUPGN-AWEZNQCLSA-N 1 1 309.435 3.153 20 5 DGBDMO C[C@H]([NH2+][C@H](CO)c1cccc(F)c1)c1cccc([N+](=O)[O-])c1 ZINC000358157536 285985749 /nfs/dbraw/zinc/98/57/49/285985749.db2.gz MJJLNKVTUFRJTA-MEDUHNTESA-N 1 1 304.321 3.118 20 5 DGBDMO C[C@H](c1cccc([N+](=O)[O-])c1)[N@H+]1CCC[C@H](c2ncc[nH]2)C1 ZINC000080960136 401007201 /nfs/dbraw/zinc/00/72/01/401007201.db2.gz WGEUPPIMYDPWJW-OCCSQVGLSA-N 1 1 300.362 3.259 20 5 DGBDMO COc1ccc([N+](=O)[O-])cc1C[NH+]1C[C@@H](C)C(F)(F)[C@H](C)C1 ZINC000599513772 401064474 /nfs/dbraw/zinc/06/44/74/401064474.db2.gz UFRCABGCGWJIBX-GHMZBOCLSA-N 1 1 314.332 3.327 20 5 DGBDMO COc1ccc([N+](=O)[O-])cc1C[N@H+]1C[C@@H](C)C(F)(F)[C@@H](C)C1 ZINC000599513773 401064762 /nfs/dbraw/zinc/06/47/62/401064762.db2.gz UFRCABGCGWJIBX-PHIMTYICSA-N 1 1 314.332 3.327 20 5 DGBDMO COc1ccc([N+](=O)[O-])cc1C[N@@H+]1C[C@@H](C)C(F)(F)[C@@H](C)C1 ZINC000599513773 401064765 /nfs/dbraw/zinc/06/47/65/401064765.db2.gz UFRCABGCGWJIBX-PHIMTYICSA-N 1 1 314.332 3.327 20 5 DGBDMO O=[N+]([O-])c1ccc2oc(C[N@H+]3CC[C@H]4CC[C@@H](C3)S4)nc2c1 ZINC000599553395 401075614 /nfs/dbraw/zinc/07/56/14/401075614.db2.gz SHWBEEDMPGTTLG-NEPJUHHUSA-N 1 1 319.386 3.206 20 5 DGBDMO CCOCCC[N@H+]1CC[C@H](Nc2ccccc2[N+](=O)[O-])[C@@H](C)C1 ZINC000246911967 401040238 /nfs/dbraw/zinc/04/02/38/401040238.db2.gz VXTWQDKZJJFTKD-GJZGRUSLSA-N 1 1 321.421 3.144 20 5 DGBDMO O=[N+]([O-])c1cnc(N[C@H]2CCC[N@H+]3CCCC[C@@H]23)c(Cl)c1 ZINC000594598800 401124094 /nfs/dbraw/zinc/12/40/94/401124094.db2.gz HYGUITHLQQKKFY-STQMWFEESA-N 1 1 310.785 3.072 20 5 DGBDMO O=[N+]([O-])c1ccc(CN[C@@H]2CCC[N@H+]3CCCC[C@@H]23)c(Cl)c1 ZINC000594518578 401096268 /nfs/dbraw/zinc/09/62/68/401096268.db2.gz IEWLWTTXXBDXMP-CVEARBPZSA-N 1 1 323.824 3.355 20 5 DGBDMO O=[N+]([O-])c1ccc(C[NH2+][C@@H]2CCCN3CCCC[C@@H]23)c(Cl)c1 ZINC000594518578 401096272 /nfs/dbraw/zinc/09/62/72/401096272.db2.gz IEWLWTTXXBDXMP-CVEARBPZSA-N 1 1 323.824 3.355 20 5 DGBDMO COc1cccc(OC)c1C[NH2+][C@H](C)c1ccc([N+](=O)[O-])cc1 ZINC000594711467 401158711 /nfs/dbraw/zinc/15/87/11/401158711.db2.gz NVBRUVZZBOELGO-GFCCVEGCSA-N 1 1 316.357 3.463 20 5 DGBDMO CC[C@H](c1ccccc1)[N@@H+](CC)CCn1ccc([N+](=O)[O-])n1 ZINC000358266305 286015783 /nfs/dbraw/zinc/01/57/83/286015783.db2.gz OURBLOYERARSSK-OAHLLOKOSA-N 1 1 302.378 3.265 20 5 DGBDMO CC(C)C[N@@H+](CCn1ccc([N+](=O)[O-])n1)Cc1ccccc1F ZINC000358274439 286017925 /nfs/dbraw/zinc/01/79/25/286017925.db2.gz MTTSELRUJZZAAV-UHFFFAOYSA-N 1 1 320.368 3.089 20 5 DGBDMO CCC[C@@H](C)[N@@H+](C)CCC(=O)Nc1cccc([N+](=O)[O-])c1C ZINC000063499566 401197616 /nfs/dbraw/zinc/19/76/16/401197616.db2.gz GDJFQXZSBYMPQQ-GFCCVEGCSA-N 1 1 307.394 3.352 20 5 DGBDMO CCCC[N@@H+](CCC(=O)Nc1cc([N+](=O)[O-])ccc1C)C1CC1 ZINC000063615714 401203418 /nfs/dbraw/zinc/20/34/18/401203418.db2.gz OETLXIIGFUCKGY-UHFFFAOYSA-N 1 1 319.405 3.496 20 5 DGBDMO O=[N+]([O-])c1ccc(C[NH2+][C@@H]2CCc3ccc(O)cc32)c(F)c1 ZINC000594982031 401218379 /nfs/dbraw/zinc/21/83/79/401218379.db2.gz XZRCENYGXQTJOU-MRXNPFEDSA-N 1 1 302.305 3.217 20 5 DGBDMO Cc1ccsc1C[N@@H+](C)CCOc1ccc([N+](=O)[O-])cc1 ZINC000065208864 401260971 /nfs/dbraw/zinc/26/09/71/401260971.db2.gz JZBBXJPRFQGZCH-UHFFFAOYSA-N 1 1 306.387 3.476 20 5 DGBDMO Cc1ccccc1C[N@@H+](C)CCOc1ccc([N+](=O)[O-])cc1 ZINC000065208598 401261277 /nfs/dbraw/zinc/26/12/77/401261277.db2.gz AECIBXPHMKRUME-UHFFFAOYSA-N 1 1 300.358 3.414 20 5 DGBDMO Cc1c(NC(=O)[C@H](C)[N@H+]2CCCC[C@H](C)C2)cccc1[N+](=O)[O-] ZINC000187959817 165106522 /nfs/dbraw/zinc/10/65/22/165106522.db2.gz JFCOXBLRWACAEB-JSGCOSHPSA-N 1 1 319.405 3.352 20 5 DGBDMO CCn1nc(C)c([N+](=O)[O-])c1NCCCC[N@H+]1CCC[C@@H](C)C1 ZINC000192500022 165295191 /nfs/dbraw/zinc/29/51/91/165295191.db2.gz VCNKKMFFLWZDKK-CYBMUJFWSA-N 1 1 323.441 3.044 20 5 DGBDMO COCc1ccc(C[NH2+][C@H](C)c2ccc(C)c([N+](=O)[O-])c2)o1 ZINC000129093122 196018322 /nfs/dbraw/zinc/01/83/22/196018322.db2.gz NCFJMDWDKFYLST-GFCCVEGCSA-N 1 1 304.346 3.493 20 5 DGBDMO CCC[N@@H+](CC(=O)Nc1ccc([N+](=O)[O-])cc1Cl)C1CC1 ZINC000171682578 432160030 /nfs/dbraw/zinc/16/00/30/432160030.db2.gz QRURGGZPVMEYCA-UHFFFAOYSA-N 1 1 311.769 3.061 20 5 DGBDMO C[C@@H](c1ccccc1F)[N@@H+](C)C[C@H](O)c1cccc([N+](=O)[O-])c1 ZINC000136958522 432166047 /nfs/dbraw/zinc/16/60/47/432166047.db2.gz LOFYOUHKLYMPOB-SJCJKPOMSA-N 1 1 318.348 3.460 20 5 DGBDMO C[C@@H]1C[C@@H]2CCCC[C@H]2[N@H+]1C[C@H](O)c1cccc([N+](=O)[O-])c1 ZINC000269626943 432188966 /nfs/dbraw/zinc/18/89/66/432188966.db2.gz DCMQSUGNNIYSBJ-GFOFROLCSA-N 1 1 304.390 3.281 20 5 DGBDMO C[C@@H]1c2ccccc2CC[N@@H+]1C[C@@H](O)c1cccc([N+](=O)[O-])c1 ZINC000269626970 432189071 /nfs/dbraw/zinc/18/90/71/432189071.db2.gz DEANQTXPEBCZQX-FZKQIMNGSA-N 1 1 312.369 3.248 20 5 DGBDMO Cc1cccc(C[N@@H+](C)C[C@@H](O)c2cccc([N+](=O)[O-])c2)c1 ZINC000269677126 432196823 /nfs/dbraw/zinc/19/68/23/432196823.db2.gz PPVAXBSSOWIMGU-QGZVFWFLSA-N 1 1 300.358 3.069 20 5 DGBDMO O=[N+]([O-])c1ccccc1CNc1cc[nH+]cc1Br ZINC000132506423 196261354 /nfs/dbraw/zinc/26/13/54/196261354.db2.gz NDSKFMDFQLDUDS-UHFFFAOYSA-N 1 1 308.135 3.364 20 5 DGBDMO CCCC[N@@H+](CC)CCC(=O)Nc1ccc([N+](=O)[O-])cc1OC ZINC000132668862 196275089 /nfs/dbraw/zinc/27/50/89/196275089.db2.gz BPANGAJDUCYEGP-UHFFFAOYSA-N 1 1 323.393 3.054 20 5 DGBDMO CC[N@H+]1CCC[C@H](CNc2ccc([N+](=O)[O-])c3cccnc23)C1 ZINC000133261292 196325493 /nfs/dbraw/zinc/32/54/93/196325493.db2.gz UUMFGBNNCAKHHO-CYBMUJFWSA-N 1 1 314.389 3.287 20 5 DGBDMO CC[N@H+](Cc1cc([N+](=O)[O-])ccc1OC(F)F)C[C@H](C)OC ZINC000291085808 222125508 /nfs/dbraw/zinc/12/55/08/222125508.db2.gz OKYFZLSAQUFCEW-JTQLQIEISA-N 1 1 318.320 3.053 20 5 DGBDMO O=[N+]([O-])c1ccc(NC[C@H]2CCc3[nH+]ccn3C2)c2cccnc21 ZINC000413260374 230171721 /nfs/dbraw/zinc/17/17/21/230171721.db2.gz DZIIKMVHMBALJN-GFCCVEGCSA-N 1 1 323.356 3.014 20 5 DGBDMO Cc1cc([N+](=O)[O-])ccc1NCCc1cn2c([nH+]1)CCCC2 ZINC000302668960 230339206 /nfs/dbraw/zinc/33/92/06/230339206.db2.gz NIOFOFFGVPLDLX-UHFFFAOYSA-N 1 1 300.362 3.091 20 5 DGBDMO CCc1ccc([C@@H]([NH2+][C@@H]2CCOC2)c2ccc([N+](=O)[O-])cc2)o1 ZINC000346618274 264066931 /nfs/dbraw/zinc/06/69/31/264066931.db2.gz FLOPWKBRDLDFSB-DYVFJYSZSA-N 1 1 316.357 3.218 20 5 DGBDMO C[C@@H]([NH3+])[C@H]1CCN(Cc2ccc(-c3ccc([N+](=O)[O-])cc3)o2)C1 ZINC000346692954 264080729 /nfs/dbraw/zinc/08/07/29/264080729.db2.gz KACPPNIGXFBDAO-OCCSQVGLSA-N 1 1 315.373 3.024 20 5 DGBDMO O=[N+]([O-])c1ccccc1OCC[N@H+]1CCC[C@@H]1c1cccnc1 ZINC000346984169 264133406 /nfs/dbraw/zinc/13/34/06/264133406.db2.gz OHHOGJACQLBPDK-OAHLLOKOSA-N 1 1 313.357 3.206 20 5 DGBDMO O=[N+]([O-])c1ccc(OCC[N@H+]2CCC[C@@H]2c2cccnc2)cc1 ZINC000347002103 264137193 /nfs/dbraw/zinc/13/71/93/264137193.db2.gz UJVNFFUJRILJKV-QGZVFWFLSA-N 1 1 313.357 3.206 20 5 DGBDMO [NH3+]C[C@H]1CCCN(Cc2ccc(-c3ccc([N+](=O)[O-])cc3)o2)C1 ZINC000347091342 264155046 /nfs/dbraw/zinc/15/50/46/264155046.db2.gz FDJZLNHCTQNSPP-CYBMUJFWSA-N 1 1 315.373 3.026 20 5 DGBDMO CCOC1CC([N@@H+](C)Cc2cc([N+](=O)[O-])ccc2OC(C)C)C1 ZINC000347455418 264224086 /nfs/dbraw/zinc/22/40/86/264224086.db2.gz NYQWDSFTHKYGQG-UHFFFAOYSA-N 1 1 322.405 3.381 20 5 DGBDMO CCn1cc(CC[N@@H+](Cc2ccccc2[N+](=O)[O-])C2CC2)cn1 ZINC000348305274 264385421 /nfs/dbraw/zinc/38/54/21/264385421.db2.gz VPCICILMMGRIQL-UHFFFAOYSA-N 1 1 314.389 3.018 20 5 DGBDMO C[C@@H](CO)[N@@H+](C/C=C/c1ccccc1[N+](=O)[O-])CC1CCC1 ZINC000348333947 264392170 /nfs/dbraw/zinc/39/21/70/264392170.db2.gz DHSOZYMLTBRKOC-KVEVGEHQSA-N 1 1 304.390 3.091 20 5 DGBDMO C[C@@H](CO)[N@@H+](C/C=C\c1ccccc1[N+](=O)[O-])CC1CCC1 ZINC000348333948 264392336 /nfs/dbraw/zinc/39/23/36/264392336.db2.gz DHSOZYMLTBRKOC-UQYHUFHVSA-N 1 1 304.390 3.091 20 5 DGBDMO Cc1ccccc1[C@@H](C(C)C)[N@@H+](C)CCn1cc([N+](=O)[O-])cn1 ZINC000350127736 264585277 /nfs/dbraw/zinc/58/52/77/264585277.db2.gz SOYUUMIYZBDNIM-QGZVFWFLSA-N 1 1 316.405 3.429 20 5 DGBDMO C[C@H]1C[N@H+](C2CC2)C[C@@H]1Nc1nc2ccccc2cc1[N+](=O)[O-] ZINC000352366251 265017974 /nfs/dbraw/zinc/01/79/74/265017974.db2.gz CNXVUCSOBBZTIV-NHYWBVRUSA-N 1 1 312.373 3.038 20 5 DGBDMO Cc1ccc([N+](=O)[O-])cc1[C@@H](C)[N@H+]1CCC[C@@H](n2cccn2)C1 ZINC000352400843 265033619 /nfs/dbraw/zinc/03/36/19/265033619.db2.gz VDCRGGZUQLVLIA-GDBMZVCRSA-N 1 1 314.389 3.498 20 5 DGBDMO O=[N+]([O-])c1ccc(CN2CCC[N@H+](C3CCCC3)CC2)c(F)c1 ZINC000352693265 265130776 /nfs/dbraw/zinc/13/07/76/265130776.db2.gz RFSHZUMXEYEFED-UHFFFAOYSA-N 1 1 321.396 3.184 20 5 DGBDMO CCOCCO[C@@H]1CC[N@H+]([C@@H](C)c2cc([N+](=O)[O-])ccc2C)C1 ZINC000352771668 265159815 /nfs/dbraw/zinc/15/98/15/265159815.db2.gz ZMCLYUMNOXOCSN-GOEBONIOSA-N 1 1 322.405 3.092 20 5 DGBDMO Cc1ccc(C[N@@H+]2CCN(C)c3ccccc3C2)cc1[N+](=O)[O-] ZINC000353287829 265375698 /nfs/dbraw/zinc/37/56/98/265375698.db2.gz SKRMWECCTGKUMW-UHFFFAOYSA-N 1 1 311.385 3.355 20 5 DGBDMO CC(C)C[C@]1(CO)CCC[N@H+]1Cc1ccc([N+](=O)[O-])cc1F ZINC000355363003 266051255 /nfs/dbraw/zinc/05/12/55/266051255.db2.gz BJZSBZCVACRZBW-INIZCTEOSA-N 1 1 310.369 3.107 20 5 DGBDMO Cc1cc(NC(=O)CCc2cccc([N+](=O)[O-])c2)cn2cc[nH+]c12 ZINC000355432531 266073390 /nfs/dbraw/zinc/07/33/90/266073390.db2.gz KOBWOSQBBDDMBF-UHFFFAOYSA-N 1 1 324.340 3.122 20 5 DGBDMO O=[N+]([O-])c1ccccc1/C=C\C[N@H+]1CCOCC2(CCC2)C1 ZINC000355507762 266095996 /nfs/dbraw/zinc/09/59/96/266095996.db2.gz INZDQENAHWFJFO-UTCJRWHESA-N 1 1 302.374 3.111 20 5 DGBDMO COc1cc(C[N@@H+]2CC(C)(C)[C@H]2C2CC2)c([N+](=O)[O-])cc1OC ZINC000356297299 266345833 /nfs/dbraw/zinc/34/58/33/266345833.db2.gz OJFWKDQDRYFGFH-MRXNPFEDSA-N 1 1 320.389 3.232 20 5 DGBDMO COc1cc(C[N@H+]2CC(C)(C)[C@H]2C2CC2)c([N+](=O)[O-])cc1OC ZINC000356297299 266345836 /nfs/dbraw/zinc/34/58/36/266345836.db2.gz OJFWKDQDRYFGFH-MRXNPFEDSA-N 1 1 320.389 3.232 20 5 DGBDMO O=[N+]([O-])c1ccccc1NCCC[N@H+]1CCc2ccccc2C1 ZINC000356444061 266393869 /nfs/dbraw/zinc/39/38/69/266393869.db2.gz BDGZCSYLDBTAJK-UHFFFAOYSA-N 1 1 311.385 3.455 20 5 DGBDMO Cc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@@H+]1CCC[C@H](C)[C@@H]1C ZINC000172859398 432240703 /nfs/dbraw/zinc/24/07/03/432240703.db2.gz XSYGAJMXPPUFCU-JSGCOSHPSA-N 1 1 319.405 3.352 20 5 DGBDMO COc1ccc([N+](=O)[O-])cc1C[N@H+]1CCS[C@H]2CCCC[C@@H]21 ZINC000437540022 274118803 /nfs/dbraw/zinc/11/88/03/274118803.db2.gz ACODTMJATZSJJW-HOCLYGCPSA-N 1 1 322.430 3.463 20 5 DGBDMO C[C@@H](C[NH+]1CCCCC1)N[C@@H]1CCCc2ccc([N+](=O)[O-])cc21 ZINC000447529742 274217275 /nfs/dbraw/zinc/21/72/75/274217275.db2.gz MLPCUTBJPWVJEG-KBXCAEBGSA-N 1 1 317.433 3.436 20 5 DGBDMO C[C@@H](NC[C@@H]1[NH2+]CCc2ccccc21)c1ccc([N+](=O)[O-])cc1 ZINC000423427194 274249480 /nfs/dbraw/zinc/24/94/80/274249480.db2.gz NMWUAQKYNAMBGY-ACJLOTCBSA-N 1 1 311.385 3.132 20 5 DGBDMO C[C@@H]1CC[C@H](C)[N@@H+]1Cc1nc(-c2ccc([N+](=O)[O-])cc2)no1 ZINC000123087744 274316225 /nfs/dbraw/zinc/31/62/25/274316225.db2.gz JJZQVRKIWHIIIH-PHIMTYICSA-N 1 1 302.334 3.018 20 5 DGBDMO O=[N+]([O-])c1ccc2c(c1)[C@@H]([NH2+]Cc1ccc(F)cn1)CCC2 ZINC000447586021 275037837 /nfs/dbraw/zinc/03/78/37/275037837.db2.gz MHUORXMODDBIJW-INIZCTEOSA-N 1 1 301.321 3.296 20 5 DGBDMO O=[N+]([O-])c1ccc2c(c1)[C@@H](NC[C@@H]1CC[N@@H+](C3CC3)C1)CCC2 ZINC000192657944 275037905 /nfs/dbraw/zinc/03/79/05/275037905.db2.gz QWAJBGVOHCTSDF-UGSOOPFHSA-N 1 1 315.417 3.046 20 5 DGBDMO O=[N+]([O-])c1ccc2c(c1)[C@@H](NC[C@@H]1CC[N@H+](C3CC3)C1)CCC2 ZINC000192657944 275037907 /nfs/dbraw/zinc/03/79/07/275037907.db2.gz QWAJBGVOHCTSDF-UGSOOPFHSA-N 1 1 315.417 3.046 20 5 DGBDMO O=[N+]([O-])c1ccc2c(c1)[C@@H]([NH2+]C[C@@H]1CCN(C3CC3)C1)CCC2 ZINC000192657944 275037908 /nfs/dbraw/zinc/03/79/08/275037908.db2.gz QWAJBGVOHCTSDF-UGSOOPFHSA-N 1 1 315.417 3.046 20 5 DGBDMO CC(C)[N@H+]1CC[C@@H](CNc2nc3ccccc3cc2[N+](=O)[O-])C1 ZINC000530542730 430120059 /nfs/dbraw/zinc/12/00/59/430120059.db2.gz CARZPCBKSTVFGC-ZDUSSCGKSA-N 1 1 314.389 3.285 20 5 DGBDMO C[C@@H]([NH2+]C1CCN(C2CCC2)CC1)c1ccc([N+](=O)[O-])cc1 ZINC000269013619 278335406 /nfs/dbraw/zinc/33/54/06/278335406.db2.gz OAULNNWAIYGRQN-CYBMUJFWSA-N 1 1 303.406 3.262 20 5 DGBDMO Cc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@H+]1CCCC(C)(C)C1 ZINC000112701934 431298630 /nfs/dbraw/zinc/29/86/30/431298630.db2.gz LDKKULBXCKNUML-UHFFFAOYSA-N 1 1 319.405 3.354 20 5 DGBDMO O=[N+]([O-])c1ccc(C[N@H+]2CC3(CCC3)[C@H]2C2CCOCC2)cc1 ZINC000425377296 280363359 /nfs/dbraw/zinc/36/33/59/280363359.db2.gz ZRRAGMIKQRGATL-QGZVFWFLSA-N 1 1 316.401 3.376 20 5 DGBDMO O=[N+]([O-])c1ccc(Cl)cc1N1CCC[C@H](c2[nH]cc[nH+]2)C1 ZINC000288049402 280364710 /nfs/dbraw/zinc/36/47/10/280364710.db2.gz UKBXDDOTGJPKPQ-JTQLQIEISA-N 1 1 306.753 3.355 20 5 DGBDMO O=[N+]([O-])c1cccc(Cl)c1N1CCC[C@H](c2[nH]cc[nH+]2)C1 ZINC000292412282 280372273 /nfs/dbraw/zinc/37/22/73/280372273.db2.gz DSHISLOUAOYIDG-JTQLQIEISA-N 1 1 306.753 3.355 20 5 DGBDMO O=[N+]([O-])c1ccc(-c2nnc(C[N@H+]3CCC4(CCC4)C3)o2)cc1 ZINC000123660210 431871729 /nfs/dbraw/zinc/87/17/29/431871729.db2.gz AGGLWRLUHXLLPN-UHFFFAOYSA-N 1 1 314.345 3.021 20 5 DGBDMO C[N@H+]1CCC[C@@H]1CCN(Cc1cccc([N+](=O)[O-])c1)C1CC1 ZINC000125637320 431931852 /nfs/dbraw/zinc/93/18/52/431931852.db2.gz FDOMIAXYMNXWHT-OAHLLOKOSA-N 1 1 303.406 3.044 20 5 DGBDMO C[N@@H+](Cc1ccc(-c2cccc([N+](=O)[O-])c2)o1)CC(C)(C)O ZINC000126398526 431948920 /nfs/dbraw/zinc/94/89/20/431948920.db2.gz XQMNAUQNHFEFLE-UHFFFAOYSA-N 1 1 304.346 3.058 20 5 DGBDMO C[C@H]1OCC[N@H+](Cc2ccc(-c3cccc([N+](=O)[O-])c3)o2)[C@H]1C ZINC000126541717 431951996 /nfs/dbraw/zinc/95/19/96/431951996.db2.gz KELDDNFALGDQKV-QWHCGFSZSA-N 1 1 316.357 3.464 20 5 DGBDMO C[C@H]1OCC[N@@H+](Cc2ccc(-c3cccc([N+](=O)[O-])c3)o2)[C@H]1C ZINC000126541717 431951999 /nfs/dbraw/zinc/95/19/99/431951999.db2.gz KELDDNFALGDQKV-QWHCGFSZSA-N 1 1 316.357 3.464 20 5 DGBDMO Cc1ccc([N+](=O)[O-])cc1[C@H](C)N1CC[C@@]2(C1)CCC[N@@H+](C)C2 ZINC000292846622 281021856 /nfs/dbraw/zinc/02/18/56/281021856.db2.gz BNPHMHWQIHRJRJ-YJBOKZPZSA-N 1 1 317.433 3.382 20 5 DGBDMO Cc1ccc([N+](=O)[O-])cc1[C@H](C)[N@@H+]1CC[C@@]2(C1)CCCN(C)C2 ZINC000292846622 281021857 /nfs/dbraw/zinc/02/18/57/281021857.db2.gz BNPHMHWQIHRJRJ-YJBOKZPZSA-N 1 1 317.433 3.382 20 5 DGBDMO Cc1ccc([N+](=O)[O-])cc1[C@H](C)[N@H+]1CC[C@@]2(C1)CCCN(C)C2 ZINC000292846622 281021860 /nfs/dbraw/zinc/02/18/60/281021860.db2.gz BNPHMHWQIHRJRJ-YJBOKZPZSA-N 1 1 317.433 3.382 20 5 DGBDMO C[C@H](C[N@H+]1CCC[C@@H](C)C1)N[C@@H](C)c1cccc([N+](=O)[O-])c1 ZINC000173348156 432273800 /nfs/dbraw/zinc/27/38/00/432273800.db2.gz HUHWILZLTOHHGR-KFWWJZLASA-N 1 1 305.422 3.366 20 5 DGBDMO C[C@H](CN1CCC[C@@H](C)C1)[NH2+][C@@H](C)c1cccc([N+](=O)[O-])c1 ZINC000173348156 432273805 /nfs/dbraw/zinc/27/38/05/432273805.db2.gz HUHWILZLTOHHGR-KFWWJZLASA-N 1 1 305.422 3.366 20 5 DGBDMO Cc1cccc2nc(C[NH2+][C@H](C)c3cccc([N+](=O)[O-])c3)cn21 ZINC000173405275 432276150 /nfs/dbraw/zinc/27/61/50/432276150.db2.gz DCZZZQKHFAAQKT-CYBMUJFWSA-N 1 1 310.357 3.402 20 5 DGBDMO O=[N+]([O-])c1ccccc1C[N@H+]1CC[C@@H](Oc2cccc(F)c2)C1 ZINC000183373008 432286322 /nfs/dbraw/zinc/28/63/22/432286322.db2.gz WWLSETJLKQXKNK-MRXNPFEDSA-N 1 1 316.332 3.387 20 5 DGBDMO C[C@H](C[N@H+](C)Cc1c(F)cccc1[N+](=O)[O-])c1nccs1 ZINC000183959581 432338392 /nfs/dbraw/zinc/33/83/92/432338392.db2.gz ZZVKGMCSTFOAMV-SNVBAGLBSA-N 1 1 309.366 3.426 20 5 DGBDMO C[C@H](C[N@@H+](C)Cc1c(F)cccc1[N+](=O)[O-])c1nccs1 ZINC000183959581 432338398 /nfs/dbraw/zinc/33/83/98/432338398.db2.gz ZZVKGMCSTFOAMV-SNVBAGLBSA-N 1 1 309.366 3.426 20 5 DGBDMO CC[N@@H+](CCCO)Cc1ccc(-c2ccccc2[N+](=O)[O-])o1 ZINC000271166083 432341306 /nfs/dbraw/zinc/34/13/06/432341306.db2.gz CKUDBBKGWJWZJP-UHFFFAOYSA-N 1 1 304.346 3.059 20 5 DGBDMO C[C@@H]1CC[N@@H+](CCCOc2ccc([N+](=O)[O-])cc2)CCS1 ZINC000192169494 432341348 /nfs/dbraw/zinc/34/13/48/432341348.db2.gz AILPEYPVRDOIEU-CYBMUJFWSA-N 1 1 310.419 3.191 20 5 DGBDMO CCCn1cc[nH+]c1CCCN(C)c1ccc(F)cc1[N+](=O)[O-] ZINC000192235141 432348612 /nfs/dbraw/zinc/34/86/12/432348612.db2.gz AZTUMUPHTNZNBL-UHFFFAOYSA-N 1 1 320.368 3.409 20 5 DGBDMO CC[N@@H+](C)C[C@H]1CCN(Cc2ccc(Cl)cc2[N+](=O)[O-])C1 ZINC000173898070 432306530 /nfs/dbraw/zinc/30/65/30/432306530.db2.gz RFAWMKPVBUISQL-GFCCVEGCSA-N 1 1 311.813 3.022 20 5 DGBDMO CC(C)[N@H+]1CCCN(C/C=C/c2ccccc2[N+](=O)[O-])CC1 ZINC000270995903 432312349 /nfs/dbraw/zinc/31/23/49/432312349.db2.gz JPIXAVATMHMWGH-VMPITWQZSA-N 1 1 303.406 3.024 20 5 DGBDMO C[C@H](Cc1ccc(Cl)cc1)[N@@H+](C)CCn1cc([N+](=O)[O-])cn1 ZINC000174868948 432375154 /nfs/dbraw/zinc/37/51/54/432375154.db2.gz CHIYBHXKXASEAX-GFCCVEGCSA-N 1 1 322.796 3.008 20 5 DGBDMO C[C@@H](Nc1ncc([N+](=O)[O-])s1)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC000192525971 432383874 /nfs/dbraw/zinc/38/38/74/432383874.db2.gz CRQVOYWZNGTJOG-MNOVXSKESA-N 1 1 310.423 3.116 20 5 DGBDMO CC[C@H]1C[N@@H+](Cc2ccc(-c3ccccc3[N+](=O)[O-])o2)C[C@H]1O ZINC000271275977 432366950 /nfs/dbraw/zinc/36/69/50/432366950.db2.gz KUWVLCCKIDJMMN-BLLLJJGKSA-N 1 1 316.357 3.058 20 5 DGBDMO CCOc1ccc([N+](=O)[O-])cc1C[N@H+]1CCC[C@]1(C)CCCO ZINC000272062770 432439256 /nfs/dbraw/zinc/43/92/56/432439256.db2.gz XBVUAQDEHNVBBS-QGZVFWFLSA-N 1 1 322.405 3.121 20 5 DGBDMO Cc1c[nH+]ccc1OC1CCN(c2ccccc2[N+](=O)[O-])CC1 ZINC000278536947 281670723 /nfs/dbraw/zinc/67/07/23/281670723.db2.gz URDMJXYTIQZYJW-UHFFFAOYSA-N 1 1 313.357 3.346 20 5 DGBDMO O=[N+]([O-])c1cc(C[N@@H+](C[C@@H]2CCOC2)C2CC2)ccc1Cl ZINC000153433119 432407914 /nfs/dbraw/zinc/40/79/14/432407914.db2.gz XXEKUAWSKJICQS-LBPRGKRZSA-N 1 1 310.781 3.249 20 5 DGBDMO CC[C@@H]([NH2+]Cc1cc([N+](=O)[O-])ccc1Cl)c1cnn(C)c1 ZINC000271511693 432411451 /nfs/dbraw/zinc/41/14/51/432411451.db2.gz OVIPULLPZLVMFA-CQSZACIVSA-N 1 1 308.769 3.223 20 5 DGBDMO COCC[N@H+](C/C=C\c1ccccc1[N+](=O)[O-])Cc1ccco1 ZINC000255734817 432412158 /nfs/dbraw/zinc/41/21/58/432412158.db2.gz GRUPNCXJZFNTNS-DAXSKMNVSA-N 1 1 316.357 3.350 20 5 DGBDMO COCC[N@@H+](C/C=C\c1ccccc1[N+](=O)[O-])Cc1ccco1 ZINC000255734817 432412160 /nfs/dbraw/zinc/41/21/60/432412160.db2.gz GRUPNCXJZFNTNS-DAXSKMNVSA-N 1 1 316.357 3.350 20 5 DGBDMO CCn1cc([C@H](C)[NH2+]Cc2cc([N+](=O)[O-])ccc2Cl)cn1 ZINC000271531853 432416185 /nfs/dbraw/zinc/41/61/85/432416185.db2.gz SDDYVBRQUKRPSO-JTQLQIEISA-N 1 1 308.769 3.315 20 5 DGBDMO CCn1cc([C@H](C)[NH2+]Cc2ccc([N+](=O)[O-])cc2Cl)cn1 ZINC000184666221 432418649 /nfs/dbraw/zinc/41/86/49/432418649.db2.gz QBOXEEJHQMJPOO-JTQLQIEISA-N 1 1 308.769 3.315 20 5 DGBDMO CC[N@H+](Cc1nnc(-c2ccc([N+](=O)[O-])cc2)o1)CC(C)C ZINC000193227744 432458869 /nfs/dbraw/zinc/45/88/69/432458869.db2.gz KUACNVOMYPMBRG-UHFFFAOYSA-N 1 1 304.350 3.123 20 5 DGBDMO COCC[C@H]([NH2+]Cc1ccc([N+](=O)[O-])cc1)c1ccc(C)o1 ZINC000272363310 432489145 /nfs/dbraw/zinc/48/91/45/432489145.db2.gz WMOHMVCIOOLPRT-HNNXBMFYSA-N 1 1 304.346 3.364 20 5 DGBDMO COCC[C@@H]([NH2+]Cc1ccc([N+](=O)[O-])cc1)c1ccc(C)o1 ZINC000272363313 432489511 /nfs/dbraw/zinc/48/95/11/432489511.db2.gz WMOHMVCIOOLPRT-OAHLLOKOSA-N 1 1 304.346 3.364 20 5 DGBDMO C[N@@H+](CCSc1ccc([N+](=O)[O-])cn1)Cc1ccccc1 ZINC000193745507 432495443 /nfs/dbraw/zinc/49/54/43/432495443.db2.gz SFAVHOZSEHENQZ-UHFFFAOYSA-N 1 1 303.387 3.214 20 5 DGBDMO Cc1ccc([C@@H]2CCCCC[N@H+]2CCn2ccc([N+](=O)[O-])n2)o1 ZINC000176251477 432503965 /nfs/dbraw/zinc/50/39/65/432503965.db2.gz AYTJJOKNJATTRM-AWEZNQCLSA-N 1 1 318.377 3.310 20 5 DGBDMO C[C@H]1C[C@H](c2cccc(F)c2)[N@@H+](CCn2ccc([N+](=O)[O-])n2)C1 ZINC000176269353 432506315 /nfs/dbraw/zinc/50/63/15/432506315.db2.gz MOMASXRFQSDJNW-SWLSCSKDSA-N 1 1 318.352 3.014 20 5 DGBDMO Cc1cc(N2CCC[C@H](CC[NH3+])C2)c2cc([N+](=O)[O-])ccc2n1 ZINC000261967468 432464790 /nfs/dbraw/zinc/46/47/90/432464790.db2.gz YNDPSNLSPNLFLP-CYBMUJFWSA-N 1 1 314.389 3.017 20 5 DGBDMO CC[C@H]1[C@H](C)CC[N@H+]1Cc1nnc(-c2ccc([N+](=O)[O-])cc2)o1 ZINC000185605564 432514715 /nfs/dbraw/zinc/51/47/15/432514715.db2.gz YCVOTZYBQQGORO-RISCZKNCSA-N 1 1 316.361 3.265 20 5 DGBDMO CCC(C)(C)[C@@H]1CCC[N@H+]1Cc1ccc(C(N)=O)cc1[N+](=O)[O-] ZINC000156794669 432608410 /nfs/dbraw/zinc/60/84/10/432608410.db2.gz YZMBZQGZZDBCJB-HNNXBMFYSA-N 1 1 319.405 3.094 20 5 DGBDMO C[C@@H]1CC[N@H+](Cc2c(F)cccc2[N+](=O)[O-])C[C@@H]1n1ccnc1 ZINC000156427667 432596406 /nfs/dbraw/zinc/59/64/06/432596406.db2.gz HLYKFCPFXMETMU-WBMJQRKESA-N 1 1 318.352 3.014 20 5 DGBDMO C[C@@H]1CC[N@@H+](Cc2c(F)cccc2[N+](=O)[O-])C[C@@H]1n1ccnc1 ZINC000156427667 432596410 /nfs/dbraw/zinc/59/64/10/432596410.db2.gz HLYKFCPFXMETMU-WBMJQRKESA-N 1 1 318.352 3.014 20 5 DGBDMO C[N@H+]1CCC[C@@H]2CN(Cc3ccc(Cl)cc3[N+](=O)[O-])CC[C@@H]21 ZINC000158492693 432647840 /nfs/dbraw/zinc/64/78/40/432647840.db2.gz IPYBFIVIMJFHHI-DOMZBBRYSA-N 1 1 323.824 3.164 20 5 DGBDMO C[C@H](CNc1ccc([N+](=O)[O-])cc1[N+](=O)[O-])[N@H+]1CCC[C@@H](C)C1 ZINC000195666893 432633471 /nfs/dbraw/zinc/63/34/71/432633471.db2.gz HJMLYVYMTYGLNI-VXGBXAGGSA-N 1 1 322.365 3.035 20 5 DGBDMO Cc1ccc([N+](=O)[O-])c(NCCCC[N@@H+]2CCC[C@@H](C)C2)n1 ZINC000178173311 432703155 /nfs/dbraw/zinc/70/31/55/432703155.db2.gz FTLRPXRVICYINY-CYBMUJFWSA-N 1 1 306.410 3.222 20 5 DGBDMO Cc1ccnc(NC[C@H]2CCC[N@H+](CC(C)C)C2)c1[N+](=O)[O-] ZINC000161314841 432772408 /nfs/dbraw/zinc/77/24/08/432772408.db2.gz JEZAODIUPMWVDE-CQSZACIVSA-N 1 1 306.410 3.078 20 5 DGBDMO O=[N+]([O-])c1cccc(-c2ccc(C[N@H+](CCO)C3CCC3)o2)c1 ZINC000276117600 432773766 /nfs/dbraw/zinc/77/37/66/432773766.db2.gz XXRDIBDYPCXMNQ-UHFFFAOYSA-N 1 1 316.357 3.202 20 5 DGBDMO CC(C)[N@H+]1CCC[C@@H](CN[C@H](C)c2cccc([N+](=O)[O-])c2)C1 ZINC000245471739 432835606 /nfs/dbraw/zinc/83/56/06/432835606.db2.gz YBVPNIZYXHTFAE-CABCVRRESA-N 1 1 305.422 3.366 20 5 DGBDMO Cc1ccc([C@H](C)N[C@@H]2CC[N@H+]3CCC[C@@H]3C2)cc1[N+](=O)[O-] ZINC000161607254 432787954 /nfs/dbraw/zinc/78/79/54/432787954.db2.gz OIBVFKBCACNMSQ-NUEKZKHPSA-N 1 1 303.406 3.181 20 5 DGBDMO O=[N+]([O-])c1ccc(C[NH2+]Cc2ccc3c(c2)OCO3)c(Cl)c1 ZINC000237813475 432800640 /nfs/dbraw/zinc/80/06/40/432800640.db2.gz QVFCBQBLDMXOQT-UHFFFAOYSA-N 1 1 320.732 3.267 20 5 DGBDMO Cc1c(NC(=O)[C@H](C)[N@H+]2CC[C@@H](C)[C@@H](C)C2)cccc1[N+](=O)[O-] ZINC000245951127 432872420 /nfs/dbraw/zinc/87/24/20/432872420.db2.gz SNVWNOXXMLRSQW-DYEKYZERSA-N 1 1 319.405 3.208 20 5 DGBDMO O=[N+]([O-])c1ccc(C[N@@H+]2CCC[C@@H]2C[C@H](O)c2ccco2)cc1 ZINC000268243421 432858726 /nfs/dbraw/zinc/85/87/26/432858726.db2.gz HICYAXLCNRCMDP-CVEARBPZSA-N 1 1 316.357 3.276 20 5 DGBDMO CC[N@@H+]1CC[C@@H](CN[C@H]2CC(C)(C)c3ccc([N+](=O)[O-])cc32)C1 ZINC000279214405 432946376 /nfs/dbraw/zinc/94/63/76/432946376.db2.gz YNSDUPQWDZYPLB-GUYCJALGSA-N 1 1 317.433 3.249 20 5 DGBDMO CC[N@H+]1CC[C@@H](CN[C@H]2CC(C)(C)c3ccc([N+](=O)[O-])cc32)C1 ZINC000279214405 432946380 /nfs/dbraw/zinc/94/63/80/432946380.db2.gz YNSDUPQWDZYPLB-GUYCJALGSA-N 1 1 317.433 3.249 20 5 DGBDMO CC[N@@H+]1CC[C@H](CN[C@H]2CC(C)(C)c3ccc([N+](=O)[O-])cc32)C1 ZINC000279214403 432946633 /nfs/dbraw/zinc/94/66/33/432946633.db2.gz YNSDUPQWDZYPLB-DYVFJYSZSA-N 1 1 317.433 3.249 20 5 DGBDMO CC[N@H+]1CC[C@H](CN[C@H]2CC(C)(C)c3ccc([N+](=O)[O-])cc32)C1 ZINC000279214403 432946636 /nfs/dbraw/zinc/94/66/36/432946636.db2.gz YNSDUPQWDZYPLB-DYVFJYSZSA-N 1 1 317.433 3.249 20 5 DGBDMO Cc1ccc(NC(=O)CC[N@@H+]2CCCC[C@@H]2C)cc1[N+](=O)[O-] ZINC000330441839 432910685 /nfs/dbraw/zinc/91/06/85/432910685.db2.gz DZZUGDAWUVTLBZ-ZDUSSCGKSA-N 1 1 305.378 3.106 20 5 DGBDMO CC(C)(C)[C@@H]1CCC[N@H+]1Cc1ccc(C(N)=O)cc1[N+](=O)[O-] ZINC000330616042 432920900 /nfs/dbraw/zinc/92/09/00/432920900.db2.gz DFMNNUDZABVBMK-AWEZNQCLSA-N 1 1 305.378 3.489 20 5 DGBDMO C[N@@H+](Cc1cc(Cl)cc(Cl)c1[N+](=O)[O-])CC(C)(C)O ZINC000290126061 432996679 /nfs/dbraw/zinc/99/66/79/432996679.db2.gz ZBOFWTSNJRVCAM-UHFFFAOYSA-N 1 1 307.177 3.104 20 5 DGBDMO O=[N+]([O-])c1cc(C[N@@H+]2CCC[C@@H](c3ccncc3)C2)cs1 ZINC000331658622 432957327 /nfs/dbraw/zinc/95/73/27/432957327.db2.gz WUWLYUWEMIZNRL-CQSZACIVSA-N 1 1 303.387 3.431 20 5 DGBDMO O=[N+]([O-])c1cc(C[N@H+]2CCC[C@@H](c3ccncc3)C2)cs1 ZINC000331658622 432957330 /nfs/dbraw/zinc/95/73/30/432957330.db2.gz WUWLYUWEMIZNRL-CQSZACIVSA-N 1 1 303.387 3.431 20 5 DGBDMO C[N@@H+](C/C=C/c1ccccc1[N+](=O)[O-])C1CCC(CO)CC1 ZINC000290458249 433057147 /nfs/dbraw/zinc/05/71/47/433057147.db2.gz MWIWLUPNYGAFKY-GQCTYLIASA-N 1 1 304.390 3.091 20 5 DGBDMO CC1(C)C[N@@H+](Cc2ccc(-c3ccc([N+](=O)[O-])cc3)o2)C[C@@H]1O ZINC000280487686 433060697 /nfs/dbraw/zinc/06/06/97/433060697.db2.gz OORFLKOIVPFCLE-INIZCTEOSA-N 1 1 316.357 3.058 20 5 DGBDMO CC(C)CC[C@@H](O)C[N@@H+](Cc1ccc([N+](=O)[O-])cc1)C1CC1 ZINC000361306748 433092737 /nfs/dbraw/zinc/09/27/37/433092737.db2.gz YDDLVFSUXSVBQJ-QGZVFWFLSA-N 1 1 306.406 3.356 20 5 DGBDMO O=[N+]([O-])c1ccc2c(c1)C[N@H+]([C@H]1C[C@H]1c1ccccc1)CCO2 ZINC000361377378 433142110 /nfs/dbraw/zinc/14/21/10/433142110.db2.gz ONDHGPGNIANDMR-IRXDYDNUSA-N 1 1 310.353 3.345 20 5 DGBDMO O=[N+]([O-])c1ccc2c(c1)C[N@@H+]([C@H]1C[C@H]1c1ccccc1)CCO2 ZINC000361377378 433142120 /nfs/dbraw/zinc/14/21/20/433142120.db2.gz ONDHGPGNIANDMR-IRXDYDNUSA-N 1 1 310.353 3.345 20 5 DGBDMO COC(=O)c1ccc([C@@H](C)[NH2+][C@H](C)c2cccc([N+](=O)[O-])c2)o1 ZINC000341585776 433150025 /nfs/dbraw/zinc/15/00/25/433150025.db2.gz LIXPOEBPPMXWBW-GHMZBOCLSA-N 1 1 318.329 3.386 20 5 DGBDMO CC(C)[C@@H](C)[N@@H+](C)Cc1nnc(-c2ccc([N+](=O)[O-])cc2)o1 ZINC000298381997 433115571 /nfs/dbraw/zinc/11/55/71/433115571.db2.gz AJJYLLKINDUDNY-LLVKDONJSA-N 1 1 304.350 3.121 20 5 DGBDMO Cc1ccc(F)cc1C[NH2+]Cc1nc2cc([N+](=O)[O-])ccc2[nH]1 ZINC000446848938 433120059 /nfs/dbraw/zinc/12/00/59/433120059.db2.gz KWJQUITZBVKGPZ-UHFFFAOYSA-N 1 1 314.320 3.208 20 5 DGBDMO C[C@@H](CO)[N@H+](Cc1ccc(Cl)cc1[N+](=O)[O-])CC1CCC1 ZINC000361498560 433209926 /nfs/dbraw/zinc/20/99/26/433209926.db2.gz USZOWGGSEDRJTG-NSHDSACASA-N 1 1 312.797 3.231 20 5 DGBDMO CCC(=O)c1ccc(NC[C@H](C)[N@@H+](C)C2CC2)c([N+](=O)[O-])c1 ZINC000280774707 433168486 /nfs/dbraw/zinc/16/84/86/433168486.db2.gz SFTXKMZRVPAVHL-NSHDSACASA-N 1 1 305.378 3.082 20 5 DGBDMO O=[N+]([O-])c1cc(C[N@H+]2CC3(CCC3)[C@@H]2C2CCOCC2)cs1 ZINC000425373384 433210858 /nfs/dbraw/zinc/21/08/58/433210858.db2.gz PUCBQTIQGMEYOG-HNNXBMFYSA-N 1 1 322.430 3.437 20 5 DGBDMO Cc1cc([N+](=O)[O-])ccc1NC(=O)C[N@H+](C)C1CCCCC1 ZINC000298657090 433206525 /nfs/dbraw/zinc/20/65/25/433206525.db2.gz HOKWWCPRIQGNHB-UHFFFAOYSA-N 1 1 305.378 3.106 20 5 DGBDMO Cn1cc([C@@H]([NH2+]Cc2cccc([N+](=O)[O-])c2)c2ccccc2)cn1 ZINC000374610341 433240519 /nfs/dbraw/zinc/24/05/19/433240519.db2.gz GVAVXIHYQIGMSL-SFHVURJKSA-N 1 1 322.368 3.208 20 5 DGBDMO O=[N+]([O-])c1ccc2[nH]c(C[N@@H+](CC3CC3)CC3CCC3)nc2c1 ZINC000361572661 433256465 /nfs/dbraw/zinc/25/64/65/433256465.db2.gz VEBGQOQFYMWTGF-UHFFFAOYSA-N 1 1 314.389 3.483 20 5 DGBDMO CC[N@H+]1C[C@H](C)N(c2ccc([N+](=O)[O-])c3ncccc23)C[C@H]1C ZINC000413216668 433267128 /nfs/dbraw/zinc/26/71/28/433267128.db2.gz UNGUURAPBANKLH-OLZOCXBDSA-N 1 1 314.389 3.062 20 5 DGBDMO COc1ccc(C[N@H+]2CC3(CCC3)[C@H]2C2CC2)cc1[N+](=O)[O-] ZINC000291584123 433277132 /nfs/dbraw/zinc/27/71/32/433277132.db2.gz PDTIXWLNVGSJMY-MRXNPFEDSA-N 1 1 302.374 3.368 20 5 DGBDMO C[N@@H+](Cc1cc([N+](=O)[O-])ccc1C(F)(F)F)[C@H]1CCCOC1 ZINC000339190687 433430714 /nfs/dbraw/zinc/43/07/14/433430714.db2.gz YPWOIOYHNFIBQD-LBPRGKRZSA-N 1 1 318.295 3.224 20 5 DGBDMO C[C@@H]1[C@@H](CO)CC[N@H+]1Cc1ccc(-c2ccccc2[N+](=O)[O-])o1 ZINC000425958213 433383688 /nfs/dbraw/zinc/38/36/88/433383688.db2.gz FJAZVZKYQDBFAF-CHWSQXEVSA-N 1 1 316.357 3.058 20 5 DGBDMO O=[N+]([O-])c1ccc(NCCC[N@H+]2CCc3ccccc3C2)cc1 ZINC000301095903 433413893 /nfs/dbraw/zinc/41/38/93/433413893.db2.gz NVRZEJRJVXJPJR-UHFFFAOYSA-N 1 1 311.385 3.455 20 5 DGBDMO COc1cc(NCCC[N@H+]2CCCC[C@H]2C)ccc1[N+](=O)[O-] ZINC000301214487 433453760 /nfs/dbraw/zinc/45/37/60/433453760.db2.gz ZCHCHBQBARBIAJ-CYBMUJFWSA-N 1 1 307.394 3.280 20 5 DGBDMO C[N@H+]1CC[C@@H]2[C@H](CCCN2c2ccc(Cl)cc2[N+](=O)[O-])C1 ZINC000302788542 290182158 /nfs/dbraw/zinc/18/21/58/290182158.db2.gz XMQGYTSXLRKYLC-DGCLKSJQSA-N 1 1 309.797 3.169 20 5 DGBDMO O=[N+]([O-])c1cc(C[NH+]2CCC(c3cn[nH]c3)CC2)ccc1Cl ZINC000361957715 433469342 /nfs/dbraw/zinc/46/93/42/433469342.db2.gz VCXDHTHXWXUJDC-UHFFFAOYSA-N 1 1 320.780 3.351 20 5 DGBDMO CCc1noc(C)c1C[NH2+]C(C)(C)c1ccccc1[N+](=O)[O-] ZINC000292175532 433492865 /nfs/dbraw/zinc/49/28/65/433492865.db2.gz QAPFOFGBGRKUOM-UHFFFAOYSA-N 1 1 303.362 3.479 20 5 DGBDMO O=[N+]([O-])c1ccc(-c2noc(C[N@H+]3CC[C@@H]4CCC[C@H]43)n2)cc1 ZINC000426461439 433502236 /nfs/dbraw/zinc/50/22/36/433502236.db2.gz PDYKENBEFMLKNV-SMDDNHRTSA-N 1 1 314.345 3.019 20 5 DGBDMO COCC[N@H+](Cc1c(F)cccc1[N+](=O)[O-])[C@@H]1CC[C@@H](C)C1 ZINC000362169246 433557707 /nfs/dbraw/zinc/55/77/07/433557707.db2.gz FUPODKKGFXEYNJ-CHWSQXEVSA-N 1 1 310.369 3.371 20 5 DGBDMO COCC[N@@H+](Cc1c(F)cccc1[N+](=O)[O-])[C@@H]1CC[C@@H](C)C1 ZINC000362169246 433557712 /nfs/dbraw/zinc/55/77/12/433557712.db2.gz FUPODKKGFXEYNJ-CHWSQXEVSA-N 1 1 310.369 3.371 20 5 DGBDMO CC(C)c1noc([C@@H](C)[N@H+](C)CCc2cccc([N+](=O)[O-])c2)n1 ZINC000282330381 433568299 /nfs/dbraw/zinc/56/82/99/433568299.db2.gz AXCVLGSGKDIYNO-GFCCVEGCSA-N 1 1 318.377 3.337 20 5 DGBDMO CC(C)c1noc([C@@H](C)[N@@H+](C)CCc2cccc([N+](=O)[O-])c2)n1 ZINC000282330381 433568310 /nfs/dbraw/zinc/56/83/10/433568310.db2.gz AXCVLGSGKDIYNO-GFCCVEGCSA-N 1 1 318.377 3.337 20 5 DGBDMO O=[N+]([O-])c1ccc(Cl)cc1C[N@@H+]1CC[C@H](O)C12CCCC2 ZINC000292826931 433599012 /nfs/dbraw/zinc/59/90/12/433599012.db2.gz TXJOLVSRMCNBNX-AWEZNQCLSA-N 1 1 310.781 3.128 20 5 DGBDMO C[N@H+]1CCC[C@@]2(CCN(Cc3cc(Cl)ccc3[N+](=O)[O-])C2)C1 ZINC000293005934 433610971 /nfs/dbraw/zinc/61/09/71/433610971.db2.gz PFGOGLMWXMKESH-MRXNPFEDSA-N 1 1 323.824 3.166 20 5 DGBDMO C[C@H]1CC[C@@H]([N@H+](CCO)Cc2c(Cl)cccc2[N+](=O)[O-])C1 ZINC000351628137 433626451 /nfs/dbraw/zinc/62/64/51/433626451.db2.gz LMYWGKCGZJWMLQ-NWDGAFQWSA-N 1 1 312.797 3.231 20 5 DGBDMO C[C@H]1CC[C@@H]([N@@H+](CCO)Cc2c(Cl)cccc2[N+](=O)[O-])C1 ZINC000351628137 433626455 /nfs/dbraw/zinc/62/64/55/433626455.db2.gz LMYWGKCGZJWMLQ-NWDGAFQWSA-N 1 1 312.797 3.231 20 5 DGBDMO O=[N+]([O-])c1ccc(OC(F)F)c(C[NH2+][C@H]2CCC[C@@H]2F)c1 ZINC000339589210 433669661 /nfs/dbraw/zinc/66/96/61/433669661.db2.gz FQXYZNKSEWJKEA-QWRGUYRKSA-N 1 1 304.268 3.176 20 5 DGBDMO Cc1cc(C[N@H+]2CC[C@@H](Nc3ccc([N+](=O)[O-])cn3)C2)cs1 ZINC000449027321 433679731 /nfs/dbraw/zinc/67/97/31/433679731.db2.gz IJLJYPAOQQSWRH-CYBMUJFWSA-N 1 1 318.402 3.046 20 5 DGBDMO C[C@H]1C[C@@H](c2ccccc2)CC[N@H+]1CCn1cc([N+](=O)[O-])cn1 ZINC000366882761 293000173 /nfs/dbraw/zinc/00/01/73/293000173.db2.gz MCLJOORHKLECGY-HOCLYGCPSA-N 1 1 314.389 3.059 20 5 DGBDMO C[C@@H]1CCC[N@@H+](CCC(=O)Nc2ccccc2[N+](=O)[O-])[C@@H]1C ZINC000283246819 433697268 /nfs/dbraw/zinc/69/72/68/433697268.db2.gz JRWMPNLJHRAKTM-CHWSQXEVSA-N 1 1 305.378 3.044 20 5 DGBDMO CO[C@]1(C)C[C@H]([N@H+](C)Cc2c(F)cccc2[N+](=O)[O-])C1(C)C ZINC000362437218 433712178 /nfs/dbraw/zinc/71/21/78/433712178.db2.gz JGEWINPFSJZION-GOEBONIOSA-N 1 1 310.369 3.369 20 5 DGBDMO CO[C@]1(C)C[C@H]([N@@H+](C)Cc2c(F)cccc2[N+](=O)[O-])C1(C)C ZINC000362437218 433712190 /nfs/dbraw/zinc/71/21/90/433712190.db2.gz JGEWINPFSJZION-GOEBONIOSA-N 1 1 310.369 3.369 20 5 DGBDMO COc1cc([N+](=O)[O-])ccc1C[N@H+]1CC[C@H](c2ccco2)C1 ZINC000373784055 293316192 /nfs/dbraw/zinc/31/61/92/293316192.db2.gz WFIJXBKTDYRSNC-ZDUSSCGKSA-N 1 1 302.330 3.186 20 5 DGBDMO Cc1c(C[N@H+]2CC[C@@H](C3CCOCC3)C2)cccc1[N+](=O)[O-] ZINC000374340581 293387045 /nfs/dbraw/zinc/38/70/45/293387045.db2.gz KSSSREKNAJGSMC-MRXNPFEDSA-N 1 1 304.390 3.152 20 5 DGBDMO Cc1cccc([N+](=O)[O-])c1N1CC[C@H]2[C@@H](CCC[N@H+]2C2CC2)C1 ZINC000301770011 433716493 /nfs/dbraw/zinc/71/64/93/433716493.db2.gz IWIQNBZDOPKMQH-HOCLYGCPSA-N 1 1 315.417 3.356 20 5 DGBDMO Cc1cc(NC[C@@H]2CCCC[N@@H+]2CC(C)C)ncc1[N+](=O)[O-] ZINC000301782759 433720908 /nfs/dbraw/zinc/72/09/08/433720908.db2.gz KDDRFUUQWMSRJJ-AWEZNQCLSA-N 1 1 306.410 3.221 20 5 DGBDMO Cc1ccc(N2CC[C@H]3[C@@H](CCC[N@H+]3C3CC3)C2)c([N+](=O)[O-])c1 ZINC000301800309 433726584 /nfs/dbraw/zinc/72/65/84/433726584.db2.gz VNDDHGGOTHIBAH-HOCLYGCPSA-N 1 1 315.417 3.356 20 5 DGBDMO COc1cc(C[N@H+](C)Cc2ccc([N+](=O)[O-])c(F)c2)ccc1O ZINC000283583337 433748943 /nfs/dbraw/zinc/74/89/43/433748943.db2.gz PFSATVLMLLDZBK-UHFFFAOYSA-N 1 1 320.320 3.080 20 5 DGBDMO COc1cc(C[N@@H+](C)Cc2ccc([N+](=O)[O-])c(F)c2)ccc1O ZINC000283583337 433748950 /nfs/dbraw/zinc/74/89/50/433748950.db2.gz PFSATVLMLLDZBK-UHFFFAOYSA-N 1 1 320.320 3.080 20 5 DGBDMO CC[N@H+]1CCN(c2ccc(C(F)(F)F)cc2[N+](=O)[O-])[C@@H](C)C1 ZINC000343262367 433791649 /nfs/dbraw/zinc/79/16/49/433791649.db2.gz HDVSMZKBTMXYOC-JTQLQIEISA-N 1 1 317.311 3.144 20 5 DGBDMO CC1(C)CCC[N@H+]1CCNC/C=C/c1ccccc1[N+](=O)[O-] ZINC000449784815 433799806 /nfs/dbraw/zinc/79/98/06/433799806.db2.gz YMHHNIIRRVXXMX-VMPITWQZSA-N 1 1 303.406 3.072 20 5 DGBDMO CC1(C)CCCN1CC[NH2+]C/C=C/c1ccccc1[N+](=O)[O-] ZINC000449784815 433799817 /nfs/dbraw/zinc/79/98/17/433799817.db2.gz YMHHNIIRRVXXMX-VMPITWQZSA-N 1 1 303.406 3.072 20 5 DGBDMO Cc1cc([N+](=O)[O-])cc(Cl)c1N1CC[C@H]2CC[C@@H](C1)[N@H+]2C ZINC000302701233 433830076 /nfs/dbraw/zinc/83/00/76/433830076.db2.gz UWKBDRICIAUNAR-NEPJUHHUSA-N 1 1 309.797 3.230 20 5 DGBDMO CC[N@H+](CCN[C@@H]1CC(C)(C)c2ccc([N+](=O)[O-])cc21)C1CC1 ZINC000433121954 433842650 /nfs/dbraw/zinc/84/26/50/433842650.db2.gz TZQLYPOFTTZAGL-QGZVFWFLSA-N 1 1 317.433 3.391 20 5 DGBDMO CC[N@@H+](CCN[C@@H]1CC(C)(C)c2ccc([N+](=O)[O-])cc21)C1CC1 ZINC000433121954 433842662 /nfs/dbraw/zinc/84/26/62/433842662.db2.gz TZQLYPOFTTZAGL-QGZVFWFLSA-N 1 1 317.433 3.391 20 5 DGBDMO C[C@H](CN[C@@H]1CC(C)(C)c2ccc([N+](=O)[O-])cc21)[N@H+](C)C1CC1 ZINC000433125504 433843637 /nfs/dbraw/zinc/84/36/37/433843637.db2.gz KRSPWXOKQOUQBQ-SJKOYZFVSA-N 1 1 317.433 3.390 20 5 DGBDMO C[C@H](CN[C@@H]1CC(C)(C)c2ccc([N+](=O)[O-])cc21)[N@@H+](C)C1CC1 ZINC000433125504 433843649 /nfs/dbraw/zinc/84/36/49/433843649.db2.gz KRSPWXOKQOUQBQ-SJKOYZFVSA-N 1 1 317.433 3.390 20 5 DGBDMO C[C@@H]1CCCC[N@H+]1C[C@@H]1CCCN(c2ccc([N+](=O)[O-])nc2)C1 ZINC000344415475 433866647 /nfs/dbraw/zinc/86/66/47/433866647.db2.gz IMWUIBGAIJTNRH-CABCVRRESA-N 1 1 318.421 3.081 20 5 DGBDMO C[C@H](N[C@H]1CC[N@H+](C2CCCC2)C1)c1cccc([N+](=O)[O-])c1 ZINC000362895628 433899624 /nfs/dbraw/zinc/89/96/24/433899624.db2.gz BLVWHPFMOOTGJO-ZFWWWQNUSA-N 1 1 303.406 3.262 20 5 DGBDMO C[C@H]([NH2+][C@H]1CCN(C2CCCC2)C1)c1cccc([N+](=O)[O-])c1 ZINC000362895628 433899631 /nfs/dbraw/zinc/89/96/31/433899631.db2.gz BLVWHPFMOOTGJO-ZFWWWQNUSA-N 1 1 303.406 3.262 20 5 DGBDMO CC[N@H+]1C[C@H](C)N(c2ccc3cc([N+](=O)[O-])ccc3n2)C[C@@H]1C ZINC000345189566 433902078 /nfs/dbraw/zinc/90/20/78/433902078.db2.gz KNGSRDWXCIRLGY-STQMWFEESA-N 1 1 314.389 3.062 20 5 DGBDMO [NH3+][C@@H]1CCC[C@@H](NCc2ccc(-c3cccc([N+](=O)[O-])c3)o2)C1 ZINC000414910446 433913713 /nfs/dbraw/zinc/91/37/13/433913713.db2.gz CVDZWDHZEPFCKU-ZIAGYGMSSA-N 1 1 315.373 3.214 20 5 DGBDMO Cc1cc([N+](=O)[O-])cc(Cl)c1N1CC[C@@H]2[C@@H](CCC[N@@H+]2C)C1 ZINC000302833989 433879258 /nfs/dbraw/zinc/87/92/58/433879258.db2.gz SXHJRICTVSLZRL-SWLSCSKDSA-N 1 1 323.824 3.477 20 5 DGBDMO O=C(C[N@@H+]1CCC[C@@H]1C1CC1)Nc1ccc([N+](=O)[O-])cc1Cl ZINC000363384639 434037069 /nfs/dbraw/zinc/03/70/69/434037069.db2.gz NJMFGXVBPQXOFO-CQSZACIVSA-N 1 1 323.780 3.061 20 5 DGBDMO O=C(C[N@H+]1CCC[C@@H]1C1CC1)Nc1ccc([N+](=O)[O-])cc1Cl ZINC000363384639 434037078 /nfs/dbraw/zinc/03/70/78/434037078.db2.gz NJMFGXVBPQXOFO-CQSZACIVSA-N 1 1 323.780 3.061 20 5 DGBDMO C[N@@H+](CCn1cc([N+](=O)[O-])cn1)Cc1ccc2ccccc2c1 ZINC000357636985 434109611 /nfs/dbraw/zinc/10/96/11/434109611.db2.gz IFGQCTRQRYYSQU-UHFFFAOYSA-N 1 1 310.357 3.077 20 5 DGBDMO CCCC[N@@H+](CCO)Cc1ccc(-c2ccc([N+](=O)[O-])cc2)o1 ZINC000505898961 294259229 /nfs/dbraw/zinc/25/92/29/294259229.db2.gz SFHFRURLSSMUSK-UHFFFAOYSA-N 1 1 318.373 3.449 20 5 DGBDMO CCC1(C)CC[NH+](CC(=O)Nc2c(C)cccc2[N+](=O)[O-])CC1 ZINC000507182306 294286728 /nfs/dbraw/zinc/28/67/28/294286728.db2.gz MROVGMUWDPTKIF-UHFFFAOYSA-N 1 1 319.405 3.354 20 5 DGBDMO CC[C@H](CO)[N@@H+](C)Cc1ccc(-c2ccccc2[N+](=O)[O-])o1 ZINC000295082773 434187515 /nfs/dbraw/zinc/18/75/15/434187515.db2.gz IMNIGYSEAGNWHY-GFCCVEGCSA-N 1 1 304.346 3.058 20 5 DGBDMO CO[C@@H]1CC[N@H+](Cc2cc([N+](=O)[O-])ccc2Cl)CC1(C)C ZINC000295053199 434167041 /nfs/dbraw/zinc/16/70/41/434167041.db2.gz PUCUQBCSIQBSGX-CQSZACIVSA-N 1 1 312.797 3.495 20 5 DGBDMO CO[C@@H]1CC[N@@H+](Cc2cc([N+](=O)[O-])ccc2Cl)CC1(C)C ZINC000295053199 434167047 /nfs/dbraw/zinc/16/70/47/434167047.db2.gz PUCUQBCSIQBSGX-CQSZACIVSA-N 1 1 312.797 3.495 20 5 DGBDMO COc1ccc(C[NH2+][C@H](C)c2cc(C)ccn2)cc1[N+](=O)[O-] ZINC000286114316 434168057 /nfs/dbraw/zinc/16/80/57/434168057.db2.gz NURIWWLUTQEBRY-GFCCVEGCSA-N 1 1 301.346 3.158 20 5 DGBDMO Cn1ccnc1[C@@H]([NH2+]CCC1(C)CC1)c1cccc([N+](=O)[O-])c1 ZINC000353597997 434260715 /nfs/dbraw/zinc/26/07/15/434260715.db2.gz VPUFGLFJTMVGOI-HNNXBMFYSA-N 1 1 314.389 3.198 20 5 DGBDMO O=[N+]([O-])c1ccc(NC[C@H]2CC[N@H+](C3CC3)C2)c2ccncc21 ZINC000319705671 434224059 /nfs/dbraw/zinc/22/40/59/434224059.db2.gz DHNKYXAYFYUAQR-GFCCVEGCSA-N 1 1 312.373 3.039 20 5 DGBDMO C[C@H](N[C@H]1CC(C)(C)c2ccc([N+](=O)[O-])cc21)[C@@H]1CCC[NH2+]C1 ZINC000423221523 434294566 /nfs/dbraw/zinc/29/45/66/434294566.db2.gz WXMDDNVRGAWLQZ-AHIWAGSCSA-N 1 1 317.433 3.295 20 5 DGBDMO CC(=O)c1cccc(C[N@@H+](C)CCc2ccccc2[N+](=O)[O-])c1 ZINC000295349167 434320859 /nfs/dbraw/zinc/32/08/59/434320859.db2.gz QLZCZSKBIPSXKM-UHFFFAOYSA-N 1 1 312.369 3.472 20 5 DGBDMO Cc1ccc([C@H](C)[NH2+][C@@H](CN)C2CCCCC2)cc1[N+](=O)[O-] ZINC000423266083 434322823 /nfs/dbraw/zinc/32/28/23/434322823.db2.gz RUTPLPYMAVPRNA-BBRMVZONSA-N 1 1 305.422 3.461 20 5 DGBDMO C[N@@H+](Cc1ccc(-c2ccc([N+](=O)[O-])cc2)o1)[C@@H]1CCC[C@@H]1O ZINC000348559849 434399303 /nfs/dbraw/zinc/39/93/03/434399303.db2.gz UFWLPPHTOLGEFI-CVEARBPZSA-N 1 1 316.357 3.200 20 5 DGBDMO CC[C@H](CO)[N@@H+](C)Cc1cc(Cl)cc(Cl)c1[N+](=O)[O-] ZINC000295646169 434426368 /nfs/dbraw/zinc/42/63/68/434426368.db2.gz GYKVSXSZRIBWEQ-SNVBAGLBSA-N 1 1 307.177 3.104 20 5 DGBDMO O=[N+]([O-])c1ccc(Cl)c(C[N@H+]2CC[C@H]([C@@H]3CCOC3)C2)c1 ZINC000366648158 434475925 /nfs/dbraw/zinc/47/59/25/434475925.db2.gz ACBUKOFRMHDSKA-NWDGAFQWSA-N 1 1 310.781 3.107 20 5 DGBDMO O=[N+]([O-])c1ccc(Cl)c(C[N@H+]2CC[C@@H]([C@H]3CCOC3)C2)c1 ZINC000366648157 434476868 /nfs/dbraw/zinc/47/68/68/434476868.db2.gz ACBUKOFRMHDSKA-NEPJUHHUSA-N 1 1 310.781 3.107 20 5 DGBDMO C[C@H]([NH2+][C@@H](c1nccn1C)C1CC1)c1ccc([N+](=O)[O-])cc1 ZINC000353860478 434486342 /nfs/dbraw/zinc/48/63/42/434486342.db2.gz DZYLKCGHIZPCPA-XHDPSFHLSA-N 1 1 300.362 3.130 20 5 DGBDMO C[N@@H+](CC(=O)Nc1ccccc1[N+](=O)[O-])C1CCC(C)(C)CC1 ZINC000438484642 434489294 /nfs/dbraw/zinc/48/92/94/434489294.db2.gz JDZCZONZYISVLE-UHFFFAOYSA-N 1 1 319.405 3.434 20 5 DGBDMO C[C@@H]1Cc2[nH+]cn(CCOc3cccc([N+](=O)[O-])c3)c2C[C@@H]1C ZINC000451005785 434529666 /nfs/dbraw/zinc/52/96/66/434529666.db2.gz YXOIFAXAPFQUPR-OLZOCXBDSA-N 1 1 315.373 3.241 20 5 DGBDMO C[C@@H]1Cc2[nH+]cn(CCOc3cccc([N+](=O)[O-])c3)c2C[C@H]1C ZINC000451005784 434530702 /nfs/dbraw/zinc/53/07/02/434530702.db2.gz YXOIFAXAPFQUPR-CHWSQXEVSA-N 1 1 315.373 3.241 20 5 DGBDMO COc1ccc(C[N@@H+](C)[C@@H]2C[C@](C)(OC)C2(C)C)cc1[N+](=O)[O-] ZINC000353933512 434536154 /nfs/dbraw/zinc/53/61/54/434536154.db2.gz NKIXSMWOALIFRQ-WBVHZDCISA-N 1 1 322.405 3.239 20 5 DGBDMO CC[N@H+]1C[C@H](C)N(Cc2ccc([N+](=O)[O-])cc2Cl)C[C@@H]1C ZINC000360211526 434549817 /nfs/dbraw/zinc/54/98/17/434549817.db2.gz DTJRJLFOPHIWPC-RYUDHWBXSA-N 1 1 311.813 3.163 20 5 DGBDMO O=[N+]([O-])c1cccc(F)c1C[N@H+]1CCC[C@H]1C1CCOCC1 ZINC000348915356 434553363 /nfs/dbraw/zinc/55/33/63/434553363.db2.gz CATZNIVSSDAKJJ-HNNXBMFYSA-N 1 1 308.353 3.125 20 5 DGBDMO CCO[C@@H]1C[C@H]([N@@H+](C)CCOc2cccc([N+](=O)[O-])c2)C1(C)C ZINC000525409140 295014375 /nfs/dbraw/zinc/01/43/75/295014375.db2.gz PJDZVFIBZOVMMV-JKSUJKDBSA-N 1 1 322.405 3.109 20 5 DGBDMO C[N@@H+](CCC(=O)Nc1cc(F)cc([N+](=O)[O-])c1)C1CCCCC1 ZINC000526934640 295063667 /nfs/dbraw/zinc/06/36/67/295063667.db2.gz ZJCYOEFMTNKPJP-UHFFFAOYSA-N 1 1 323.368 3.327 20 5 DGBDMO Cc1cc([N+](=O)[O-])ccc1-c1noc(C[N@@H+]2[C@H](C)CC[C@@H]2C)n1 ZINC000527203250 295083646 /nfs/dbraw/zinc/08/36/46/295083646.db2.gz OSLHQCMWBYBWJY-TXEJJXNPSA-N 1 1 316.361 3.326 20 5 DGBDMO CCn1cncc1C[N@H+]1CCC[C@@H](c2ccc([N+](=O)[O-])cc2)C1 ZINC000418070125 434579429 /nfs/dbraw/zinc/57/94/29/434579429.db2.gz GICSLYDWLWATEC-OAHLLOKOSA-N 1 1 314.389 3.191 20 5 DGBDMO CC[C@H](C)C[N@@H+](CC)Cc1cc(OC)c(OC)cc1[N+](=O)[O-] ZINC000354033638 434587330 /nfs/dbraw/zinc/58/73/30/434587330.db2.gz MKMDXDMCLVIJNF-LBPRGKRZSA-N 1 1 310.394 3.480 20 5 DGBDMO CC(C)[N@H+]1CC[C@@H](N(C)Cc2c(Cl)cccc2[N+](=O)[O-])C1 ZINC000452124779 434587549 /nfs/dbraw/zinc/58/75/49/434587549.db2.gz WYFBNHPIOHQYSI-GFCCVEGCSA-N 1 1 311.813 3.163 20 5 DGBDMO CC[C@@H]1C[N@H+](Cc2cc([N+](=O)[O-])ccc2OC(C)C)CCCO1 ZINC000439492430 434617458 /nfs/dbraw/zinc/61/74/58/434617458.db2.gz KUPIDWCCWIKRQV-MRXNPFEDSA-N 1 1 322.405 3.383 20 5 DGBDMO CC[C@@H]1C[N@@H+](Cc2cc([N+](=O)[O-])ccc2OC(C)C)CCCO1 ZINC000439492430 434617464 /nfs/dbraw/zinc/61/74/64/434617464.db2.gz KUPIDWCCWIKRQV-MRXNPFEDSA-N 1 1 322.405 3.383 20 5 DGBDMO C[C@H](Nc1[nH+]c2cccc(F)c2n1C)c1ccccc1[N+](=O)[O-] ZINC000409722333 434619972 /nfs/dbraw/zinc/61/99/72/434619972.db2.gz OKEIAJVHMFPWAY-JTQLQIEISA-N 1 1 314.320 3.794 20 5 DGBDMO CCOc1ccc([C@@H](C)[NH2+][C@@H](C)CN(CC)CC)cc1[N+](=O)[O-] ZINC000349210176 434639574 /nfs/dbraw/zinc/63/95/74/434639574.db2.gz SRJQTOSZIUSKPK-UONOGXRCSA-N 1 1 323.437 3.374 20 5 DGBDMO Cn1cnc([N+](=O)[O-])c1C[N@@H+](C)[C@H]1CCC[C@H]1c1ccccc1 ZINC000459681457 434662743 /nfs/dbraw/zinc/66/27/43/434662743.db2.gz XDLOYPMBSIIQLP-GJZGRUSLSA-N 1 1 314.389 3.096 20 5 DGBDMO Cc1ccc([N+](=O)[O-])c(N[C@@H](C)C[N@@H+]2C[C@H](C)C[C@H](C)C2)n1 ZINC000360668659 434663428 /nfs/dbraw/zinc/66/34/28/434663428.db2.gz IUHJKTWSSFNIMM-SCRDCRAPSA-N 1 1 306.410 3.077 20 5 DGBDMO CCn1c(C)nc([N+](=O)[O-])c1NCCCC[N@H+]1CCC[C@H](C)C1 ZINC000360961843 434744055 /nfs/dbraw/zinc/74/40/55/434744055.db2.gz VLWFIFQYJDAJBU-ZDUSSCGKSA-N 1 1 323.441 3.044 20 5 DGBDMO C[C@@H]([N@@H+](C)CCC(=O)Nc1ccc([N+](=O)[O-])cc1)C1(C)CC1 ZINC000411321842 434760915 /nfs/dbraw/zinc/76/09/15/434760915.db2.gz CUHMUMRMPSVJEM-GFCCVEGCSA-N 1 1 305.378 3.044 20 5 DGBDMO O=[N+]([O-])c1cccc(F)c1C[N@@H+]1CCSC[C@H]1C1CCC1 ZINC000419354350 434775045 /nfs/dbraw/zinc/77/50/45/434775045.db2.gz CWORSMXCBAHZPV-HNNXBMFYSA-N 1 1 310.394 3.451 20 5 DGBDMO O=[N+]([O-])c1cccc(F)c1C[N@H+]1CCSC[C@H]1C1CCC1 ZINC000419354350 434775050 /nfs/dbraw/zinc/77/50/50/434775050.db2.gz CWORSMXCBAHZPV-HNNXBMFYSA-N 1 1 310.394 3.451 20 5 DGBDMO Cc1ccn2cc(C[NH2+][C@H](C)c3ccc([N+](=O)[O-])cc3)nc2c1 ZINC000361152647 434814493 /nfs/dbraw/zinc/81/44/93/434814493.db2.gz KBAKTRSKAJJCJW-CYBMUJFWSA-N 1 1 310.357 3.402 20 5 DGBDMO Cc1cc(NC[C@@H]2CCCC[N@H+]2C2CC2)c(F)cc1[N+](=O)[O-] ZINC000461950181 434893221 /nfs/dbraw/zinc/89/32/21/434893221.db2.gz TVJZQHOCYVARMF-ZDUSSCGKSA-N 1 1 307.369 3.471 20 5 DGBDMO CC(C)c1ccc(C[N@H+](C)[C@H]2CCN(C)C[C@H]2C)cc1[N+](=O)[O-] ZINC000573486988 434902825 /nfs/dbraw/zinc/90/28/25/434902825.db2.gz DIIXBUDLWRORBA-PBHICJAKSA-N 1 1 319.449 3.490 20 5 DGBDMO CC(C)c1ccc(C[N@@H+](C)[C@H]2CCN(C)C[C@H]2C)cc1[N+](=O)[O-] ZINC000573486988 434902828 /nfs/dbraw/zinc/90/28/28/434902828.db2.gz DIIXBUDLWRORBA-PBHICJAKSA-N 1 1 319.449 3.490 20 5 DGBDMO C[C@H]1C[C@@H](Nc2ccc([N+](=O)[O-])c(OC(F)F)c2)CC[N@H+]1C ZINC000462888870 434935753 /nfs/dbraw/zinc/93/57/53/434935753.db2.gz HUVQBYABXWACND-ONGXEEELSA-N 1 1 315.320 3.091 20 5 DGBDMO CC(C)([NH2+]Cc1cnn2ccccc12)c1ccccc1[N+](=O)[O-] ZINC000492222639 434938307 /nfs/dbraw/zinc/93/83/07/434938307.db2.gz FAYRILPEZDTWCD-UHFFFAOYSA-N 1 1 310.357 3.267 20 5 DGBDMO CC(C)[N@H+]1CC[C@H](CNc2nccc3ccc([N+](=O)[O-])cc32)C1 ZINC000556842653 435031467 /nfs/dbraw/zinc/03/14/67/435031467.db2.gz IKPVJVGBDNHWPS-CYBMUJFWSA-N 1 1 314.389 3.285 20 5 DGBDMO CO[C@H](C[N@@H+](C)CCc1cccc([N+](=O)[O-])c1)c1ccccc1 ZINC000558892867 435115062 /nfs/dbraw/zinc/11/50/62/435115062.db2.gz LVZHCZGNAXKOTN-GOSISDBHSA-N 1 1 314.385 3.457 20 5 DGBDMO CCC[N@H+]1CC[C@@H](CN[C@H](C)c2cc([N+](=O)[O-])ccc2C)C1 ZINC000531956864 435128615 /nfs/dbraw/zinc/12/86/15/435128615.db2.gz NORPLVBVRLWTDO-CABCVRRESA-N 1 1 305.422 3.286 20 5 DGBDMO C[C@@H](C[NH+]1CCC(C)CC1)N[C@@H](C)c1ccc([N+](=O)[O-])cc1 ZINC000579375326 435151712 /nfs/dbraw/zinc/15/17/12/435151712.db2.gz FJPGRLYUZMFAGS-GJZGRUSLSA-N 1 1 305.422 3.366 20 5 DGBDMO COc1ccc(OCC[N@@H+](C)[C@H](C)C(C)(C)C)c([N+](=O)[O-])c1 ZINC000532490836 435170624 /nfs/dbraw/zinc/17/06/24/435170624.db2.gz VTADPLJBHBLFLE-GFCCVEGCSA-N 1 1 310.394 3.349 20 5 DGBDMO Cc1ccc([N+](=O)[O-])cc1[C@@H](C)N1[C@@H]2CC[C@H]1CC[N@H+](C)C2 ZINC000579669288 435172438 /nfs/dbraw/zinc/17/24/38/435172438.db2.gz UFLSGZSYCRHHCB-IJEWVQPXSA-N 1 1 303.406 3.133 20 5 DGBDMO Cc1ccc([N+](=O)[O-])cc1[C@@H](C)[N@H+]1[C@@H]2CC[C@H]1CCN(C)C2 ZINC000579669288 435172442 /nfs/dbraw/zinc/17/24/42/435172442.db2.gz UFLSGZSYCRHHCB-IJEWVQPXSA-N 1 1 303.406 3.133 20 5 DGBDMO Cc1ccc([N+](=O)[O-])cc1[C@@H](C)[N@@H+]1[C@@H]2CC[C@H]1CCN(C)C2 ZINC000579669288 435172447 /nfs/dbraw/zinc/17/24/47/435172447.db2.gz UFLSGZSYCRHHCB-IJEWVQPXSA-N 1 1 303.406 3.133 20 5 DGBDMO C[N@@H+](CC(=O)Nc1ccc(Cl)cc1[N+](=O)[O-])CC(C)(C)C ZINC000532550616 435175857 /nfs/dbraw/zinc/17/58/57/435175857.db2.gz VZMGNJFKBPKDCK-UHFFFAOYSA-N 1 1 313.785 3.165 20 5 DGBDMO CC[N@@H+](CC(=O)Nc1ccc([N+](=O)[O-])cc1Cl)C1CCC1 ZINC000532583250 435177574 /nfs/dbraw/zinc/17/75/74/435177574.db2.gz LYBOBDCZBRKFHG-UHFFFAOYSA-N 1 1 311.769 3.061 20 5 DGBDMO CC[C@H](C)[C@H]1CCCC[N@H+]1Cc1ccc(C(N)=O)cc1[N+](=O)[O-] ZINC000532584675 435179239 /nfs/dbraw/zinc/17/92/39/435179239.db2.gz RIJGLUCFGAOTFQ-SWLSCSKDSA-N 1 1 319.405 3.094 20 5 DGBDMO CCC[N@@H+]1CCC[C@H]1CN[C@H](C)c1cccc([N+](=O)[O-])c1C ZINC000560582320 435182441 /nfs/dbraw/zinc/18/24/41/435182441.db2.gz OWTWHESHSGCYAL-CABCVRRESA-N 1 1 305.422 3.428 20 5 DGBDMO CCC[N@H+]1CCC[C@H]1CN[C@H](C)c1cccc([N+](=O)[O-])c1C ZINC000560582320 435182446 /nfs/dbraw/zinc/18/24/46/435182446.db2.gz OWTWHESHSGCYAL-CABCVRRESA-N 1 1 305.422 3.428 20 5 DGBDMO C[NH+](C)C1(CN[C@@H]2CCCc3ccc([N+](=O)[O-])cc32)CCC1 ZINC000583851895 435248609 /nfs/dbraw/zinc/24/86/09/435248609.db2.gz PGIFDHZRDSDQSX-MRXNPFEDSA-N 1 1 303.406 3.046 20 5 DGBDMO CCC[N@@H+](CC)C[C@@H](C)NC/C=C/c1ccccc1[N+](=O)[O-] ZINC000583924237 435256829 /nfs/dbraw/zinc/25/68/29/435256829.db2.gz LTOAXVNEVSNIQY-TUPIDYKKSA-N 1 1 305.422 3.318 20 5 DGBDMO CCCN(CC)C[C@@H](C)[NH2+]C/C=C/c1ccccc1[N+](=O)[O-] ZINC000583924237 435256833 /nfs/dbraw/zinc/25/68/33/435256833.db2.gz LTOAXVNEVSNIQY-TUPIDYKKSA-N 1 1 305.422 3.318 20 5 DGBDMO CCC[N@@H+](CCn1cc([N+](=O)[O-])ccc1=O)CC1CCCCC1 ZINC000534134222 435267922 /nfs/dbraw/zinc/26/79/22/435267922.db2.gz SXZCSGMZLVMCKF-UHFFFAOYSA-N 1 1 321.421 3.049 20 5 DGBDMO O=[N+]([O-])c1ccn(CC[N@H+]2CCC[C@@H]2CC2CCCCC2)n1 ZINC000478436424 435298982 /nfs/dbraw/zinc/29/89/82/435298982.db2.gz NSCQTNFJZXZUJD-OAHLLOKOSA-N 1 1 306.410 3.226 20 5 DGBDMO COC(C)(C)C[N@@H+](C)Cc1coc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000534843853 435300199 /nfs/dbraw/zinc/30/01/99/435300199.db2.gz YRWZEHHFVQHBMZ-UHFFFAOYSA-N 1 1 319.361 3.107 20 5 DGBDMO COc1ccc2c(c1)C[N@@H+](Cc1ccc(C)c([N+](=O)[O-])c1)CC2 ZINC000512032556 435342923 /nfs/dbraw/zinc/34/29/23/435342923.db2.gz VIXMHXDXKVQALR-UHFFFAOYSA-N 1 1 312.369 3.470 20 5 DGBDMO COc1ccc2c(c1)C[N@H+](Cc1ccc(C)c([N+](=O)[O-])c1)CC2 ZINC000512032556 435342930 /nfs/dbraw/zinc/34/29/30/435342930.db2.gz VIXMHXDXKVQALR-UHFFFAOYSA-N 1 1 312.369 3.470 20 5 DGBDMO C[C@@H]1CN(C)[C@H](C)C[C@@H]1[NH2+]CCCCc1ccc([N+](=O)[O-])cc1 ZINC000536867843 435415986 /nfs/dbraw/zinc/41/59/86/435415986.db2.gz FJIOSDRFIUNMBH-RKVPGOIHSA-N 1 1 319.449 3.236 20 5 DGBDMO C[C@@H](CN[C@@H]1CCc2c1cccc2[N+](=O)[O-])[N@@H+]1CCC[C@@H](C)C1 ZINC000514827401 435440707 /nfs/dbraw/zinc/44/07/07/435440707.db2.gz WZTBYQZBPWFSNE-JKIFEVAISA-N 1 1 317.433 3.292 20 5 DGBDMO C[C@@H](CN[C@@H]1CCc2c1cccc2[N+](=O)[O-])[N@H+]1CCC[C@@H](C)C1 ZINC000514827401 435440710 /nfs/dbraw/zinc/44/07/10/435440710.db2.gz WZTBYQZBPWFSNE-JKIFEVAISA-N 1 1 317.433 3.292 20 5 DGBDMO C[C@@H](CN[C@H]1CCc2c1cccc2[N+](=O)[O-])[N@@H+]1CCC[C@@H](C)C1 ZINC000514827502 435441952 /nfs/dbraw/zinc/44/19/52/435441952.db2.gz WZTBYQZBPWFSNE-KEYYUXOJSA-N 1 1 317.433 3.292 20 5 DGBDMO C[C@@H](CN[C@H]1CCc2c1cccc2[N+](=O)[O-])[N@H+]1CCC[C@@H](C)C1 ZINC000514827502 435441956 /nfs/dbraw/zinc/44/19/56/435441956.db2.gz WZTBYQZBPWFSNE-KEYYUXOJSA-N 1 1 317.433 3.292 20 5 DGBDMO Cc1ccc([N+](=O)[O-])cc1NC(=O)C[N@H+](C)[C@H]1CCC(C)(C)C1 ZINC000483097827 435492179 /nfs/dbraw/zinc/49/21/79/435492179.db2.gz AEMGVELYVMPDAM-AWEZNQCLSA-N 1 1 319.405 3.352 20 5 DGBDMO Cc1ccc(C[N@@H+](CCO)CC2CCCCC2)cc1[N+](=O)[O-] ZINC000485722419 435578392 /nfs/dbraw/zinc/57/83/92/435578392.db2.gz DAKMCPJGAWYLTE-UHFFFAOYSA-N 1 1 306.406 3.278 20 5 DGBDMO Cc1ccc([N+](=O)[O-])cc1[C@@H](C)[NH2+][C@H]1CCCc2cn[nH]c21 ZINC000540156075 435590369 /nfs/dbraw/zinc/59/03/69/435590369.db2.gz FFJMVEWPOIEHDC-ABAIWWIYSA-N 1 1 300.362 3.355 20 5 DGBDMO Cc1ccc([N+](=O)[O-])cc1[C@@H](C)[NH2+][C@H]1CCCc2c[nH]nc21 ZINC000540156075 435590373 /nfs/dbraw/zinc/59/03/73/435590373.db2.gz FFJMVEWPOIEHDC-ABAIWWIYSA-N 1 1 300.362 3.355 20 5 DGBDMO CC(C)[N@@H+](C)CCN[C@H](c1ccc([N+](=O)[O-])cc1)C(F)(F)F ZINC000517948202 435619175 /nfs/dbraw/zinc/61/91/75/435619175.db2.gz RDFRWBAFHOCKJI-CYBMUJFWSA-N 1 1 319.327 3.128 20 5 DGBDMO COCC[N@@H+](CCc1ccc([N+](=O)[O-])cc1)[C@@H]1CCC[C@H]1C ZINC000488102745 435633764 /nfs/dbraw/zinc/63/37/64/435633764.db2.gz HQCJHURFAGYWCK-RHSMWYFYSA-N 1 1 306.406 3.274 20 5 DGBDMO O=[N+]([O-])c1ccc([C@@H]2CCC[N@H+]([C@H]3CCCC[C@@H]3O)C2)cc1 ZINC000570670068 435640210 /nfs/dbraw/zinc/64/02/10/435640210.db2.gz DTGWJVHCJIPKHQ-PVAVHDDUSA-N 1 1 304.390 3.078 20 5 DGBDMO Cc1cc(N2CC[N@H+]([C@@H]3C[C@H]3C)C[C@@H](C)C2)c(F)cc1[N+](=O)[O-] ZINC000488734147 435643141 /nfs/dbraw/zinc/64/31/41/435643141.db2.gz MLGOMBMFVHIERH-LALPHHSUSA-N 1 1 321.396 3.209 20 5 DGBDMO C[C@H]([NH3+])C[C@H](C)NCc1ccc(-c2ccc([N+](=O)[O-])cc2)o1 ZINC000519155156 435672260 /nfs/dbraw/zinc/67/22/60/435672260.db2.gz AICLJCRQGBNUMJ-RYUDHWBXSA-N 1 1 303.362 3.070 20 5 DGBDMO C[C@H](CN[C@H]1CCc2c1cccc2[N+](=O)[O-])[NH+]1CCC(C)CC1 ZINC000571536369 435714547 /nfs/dbraw/zinc/71/45/47/435714547.db2.gz FXQHLJNWSCOADV-PBHICJAKSA-N 1 1 317.433 3.292 20 5 DGBDMO Cc1ccccc1[C@H](CO)[NH2+]Cc1ccc(Cl)cc1[N+](=O)[O-] ZINC000542909920 314105038 /nfs/dbraw/zinc/10/50/38/314105038.db2.gz CONLEPDVJLLULT-HNNXBMFYSA-N 1 1 320.776 3.380 20 5 DGBDMO C[C@@H]1C[N@@H+](CCOc2ccccc2[N+](=O)[O-])[C@H]2CCCC[C@@H]12 ZINC000542977363 314109187 /nfs/dbraw/zinc/10/91/87/314109187.db2.gz FRULKGSHWKNCMR-ILXRZTDVSA-N 1 1 304.390 3.484 20 5 DGBDMO CCOc1cc(NCc2c[nH+]c3n2CCCC3)ccc1[N+](=O)[O-] ZINC000557689511 314816393 /nfs/dbraw/zinc/81/63/93/314816393.db2.gz PFJOSVBJPGEADE-UHFFFAOYSA-N 1 1 316.361 3.138 20 5 DGBDMO Cc1c(C[N@H+]2CCC[C@@H]2[C@@H]2CCCOC2)cccc1[N+](=O)[O-] ZINC000564326546 315169761 /nfs/dbraw/zinc/16/97/61/315169761.db2.gz JMASEQRFEIPSSS-NVXWUHKLSA-N 1 1 304.390 3.294 20 5 DGBDMO Cc1ccc(C[N@H+]2CCC[C@@H]2[C@H]2CCCOC2)cc1[N+](=O)[O-] ZINC000564986565 315217422 /nfs/dbraw/zinc/21/74/22/315217422.db2.gz PFZBZPZODJTJBS-JKSUJKDBSA-N 1 1 304.390 3.294 20 5 DGBDMO CC[C@@H](CN[C@@H]1CCCc2ccc([N+](=O)[O-])cc21)[NH+]1CCCC1 ZINC000577457161 316236908 /nfs/dbraw/zinc/23/69/08/316236908.db2.gz DIFOVFVMBOFLQM-MAUKXSAKSA-N 1 1 317.433 3.436 20 5 DGBDMO O=[N+]([O-])c1cccc2c1ccnc2NC[C@H]1CC[N@H+](C2CC2)C1 ZINC000581172228 324082268 /nfs/dbraw/zinc/08/22/68/324082268.db2.gz NPPUXRCRIDWLGX-GFCCVEGCSA-N 1 1 312.373 3.039 20 5 DGBDMO O=[N+]([O-])c1ccc(C[N@H+]2CC[C@H](c3cccnc3)C2)c(F)c1 ZINC000582358462 324221192 /nfs/dbraw/zinc/22/11/92/324221192.db2.gz XVQMPXGELLFPQT-ZDUSSCGKSA-N 1 1 301.321 3.118 20 5 DGBDMO Cc1ccc(C[N@H+]2CCOC[C@@H](C3CCC3)C2)cc1[N+](=O)[O-] ZINC000292877711 533935601 /nfs/dbraw/zinc/93/56/01/533935601.db2.gz XFVJDEPZTOATOF-INIZCTEOSA-N 1 1 304.390 3.152 20 5 DGBDMO C[C@H]1CN(Cc2c(F)cccc2[N+](=O)[O-])CC[N@H+](C2CCC2)C1 ZINC000429368312 533948297 /nfs/dbraw/zinc/94/82/97/533948297.db2.gz XWQORSDRWDFUGO-ZDUSSCGKSA-N 1 1 321.396 3.040 20 5 DGBDMO C[C@H](Nc1ncc([N+](=O)[O-])cc1F)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC000413244939 534031185 /nfs/dbraw/zinc/03/11/85/534031185.db2.gz NQNHMYDMROGJNZ-RYUDHWBXSA-N 1 1 322.384 3.194 20 5 DGBDMO O=[N+]([O-])c1ccc(N[C@@H]2CC[N@H+]3CCC[C@@H]3C2)c2cccnc21 ZINC000322585926 534882145 /nfs/dbraw/zinc/88/21/45/534882145.db2.gz ITQOFOYGHXCUDL-CHWSQXEVSA-N 1 1 312.373 3.182 20 5 DGBDMO CC(C)[C@H](c1ccc(F)cc1)[N@H+](C)Cc1c([N+](=O)[O-])ncn1C ZINC000434617555 527751169 /nfs/dbraw/zinc/75/11/69/527751169.db2.gz LUGUASCTRMFYBA-OAHLLOKOSA-N 1 1 320.368 3.297 20 5 DGBDMO CC(C)[C@H](c1ccc(F)cc1)[N@@H+](C)Cc1c([N+](=O)[O-])ncn1C ZINC000434617555 527751176 /nfs/dbraw/zinc/75/11/76/527751176.db2.gz LUGUASCTRMFYBA-OAHLLOKOSA-N 1 1 320.368 3.297 20 5 DGBDMO CC(C)[C@H]1CCC[N@H+]1Cc1nnc(-c2ccc([N+](=O)[O-])cc2)o1 ZINC000299227394 527784043 /nfs/dbraw/zinc/78/40/43/527784043.db2.gz CCYQQYYTFHMBQV-CQSZACIVSA-N 1 1 316.361 3.265 20 5 DGBDMO CCC[N@@H+](CC)CCNc1ccc2ncccc2c1[N+](=O)[O-] ZINC000318679061 527979033 /nfs/dbraw/zinc/97/90/33/527979033.db2.gz XGBYFNCLDCVRFW-UHFFFAOYSA-N 1 1 302.378 3.287 20 5 DGBDMO CCC[C@H]1CCC[N@@H+](Cc2nc3cc([N+](=O)[O-])ccc3[nH]2)C1 ZINC000444635496 528375095 /nfs/dbraw/zinc/37/50/95/528375095.db2.gz DGFZEVJEBFXZDI-LBPRGKRZSA-N 1 1 302.378 3.483 20 5 DGBDMO CC(C)[C@@H]1CCC[N@H+]([C@@H](C)C(=O)Nc2ccc([N+](=O)[O-])cc2)C1 ZINC000444774480 528669655 /nfs/dbraw/zinc/66/96/55/528669655.db2.gz WNDHIAXAWKBLRV-UONOGXRCSA-N 1 1 319.405 3.290 20 5 DGBDMO CC1(C)CC[N@H+](Cc2nc3cc([N+](=O)[O-])ccc3[nH]2)CCS1 ZINC000434712330 529011952 /nfs/dbraw/zinc/01/19/52/529011952.db2.gz UZGCSVSDUZFKCX-UHFFFAOYSA-N 1 1 320.418 3.189 20 5 DGBDMO CC1(C)CC[N@@H+](Cc2nc3cc([N+](=O)[O-])ccc3[nH]2)CCS1 ZINC000434712330 529011954 /nfs/dbraw/zinc/01/19/54/529011954.db2.gz UZGCSVSDUZFKCX-UHFFFAOYSA-N 1 1 320.418 3.189 20 5 DGBDMO CCO[C@H]1CC[N@@H+](Cc2ccc([N+](=O)[O-])cc2Cl)C[C@H]1C ZINC000449500212 535632218 /nfs/dbraw/zinc/63/22/18/535632218.db2.gz MQHLDXBXKQMQQW-ABAIWWIYSA-N 1 1 312.797 3.495 20 5 DGBDMO CCC[C@H]1C[N@H+](C/C(C)=C\c2cccc([N+](=O)[O-])c2)CCO1 ZINC000470170115 535739896 /nfs/dbraw/zinc/73/98/96/535739896.db2.gz OUMNURWDKVYFQK-QXSWTLKVSA-N 1 1 304.390 3.499 20 5 DGBDMO CCC[C@H]1C[N@@H+](C/C(C)=C\c2cccc([N+](=O)[O-])c2)CCO1 ZINC000470170115 535739903 /nfs/dbraw/zinc/73/99/03/535739903.db2.gz OUMNURWDKVYFQK-QXSWTLKVSA-N 1 1 304.390 3.499 20 5 DGBDMO COC[C@@H]1CCC[N@@H+](C/C(C)=C\c2cccc([N+](=O)[O-])c2)C1 ZINC000470171632 536753295 /nfs/dbraw/zinc/75/32/95/536753295.db2.gz MQTPJASTMXHSBC-IHWMJMDHSA-N 1 1 304.390 3.357 20 5 DGBDMO CC[N@H+](CC(=O)Nc1ccc(Cl)c([N+](=O)[O-])c1)CC(C)C ZINC000734149581 574652013 /nfs/dbraw/zinc/65/20/13/574652013.db2.gz NYCJQXASWFZRLH-UHFFFAOYSA-N 1 1 313.785 3.165 20 5 DGBDMO Cc1c(COC(=O)[C@@H](C)[N@@H+]2[C@H](C)CC[C@@H]2C)cccc1[N+](=O)[O-] ZINC000741016966 574948947 /nfs/dbraw/zinc/94/89/47/574948947.db2.gz KTMNTUCJTDJXFH-MBNYWOFBSA-N 1 1 320.389 3.208 20 5 DGBDMO CCCC[N@@H+](Cn1cc([N+](=O)[O-])c(-c2ccncc2)n1)C1CC1 ZINC000742144845 574982218 /nfs/dbraw/zinc/98/22/18/574982218.db2.gz HNXOSXPQPDUMTF-UHFFFAOYSA-N 1 1 315.377 3.075 20 5 DGBDMO C[C@@H]1CCC[N@H+]1CCNc1ccc([N+](=O)[O-])c2cnccc12 ZINC000742426612 574999214 /nfs/dbraw/zinc/99/92/14/574999214.db2.gz YZEQWESHYPWJGX-GFCCVEGCSA-N 1 1 300.362 3.039 20 5 DGBDMO Cc1nn(C[NH+]2CCC(C3CCCC3)CC2)c(C)c1[N+](=O)[O-] ZINC000743377890 575047879 /nfs/dbraw/zinc/04/78/79/575047879.db2.gz RCGUPLRXGFTTNI-UHFFFAOYSA-N 1 1 306.410 3.268 20 5 DGBDMO COCc1cc([N+](=O)[O-])ccc1N1CCC[N@H+](C(C)(C)C)CC1 ZINC000747212347 575505874 /nfs/dbraw/zinc/50/58/74/575505874.db2.gz NWBLFURSFNCNBY-UHFFFAOYSA-N 1 1 321.421 3.052 20 5 DGBDMO O=[N+]([O-])c1ccc(Cl)cc1C[N@H+]1CCC[C@H]([C@H]2CCOC2)C1 ZINC000749559009 575665079 /nfs/dbraw/zinc/66/50/79/575665079.db2.gz KPGHKJPTFATLHE-STQMWFEESA-N 1 1 324.808 3.497 20 5 DGBDMO Cc1nn(C[N@H+]2C[C@@H](C)CCC[C@@H]2C)c2ncc([N+](=O)[O-])cc12 ZINC000749955906 575692198 /nfs/dbraw/zinc/69/21/98/575692198.db2.gz UYVNXNKZNIJVAC-RYUDHWBXSA-N 1 1 317.393 3.116 20 5 DGBDMO CC[N@H+](Cc1ccc(C)cc1)C[C@@H](O)c1cccc([N+](=O)[O-])c1 ZINC000750037540 575699076 /nfs/dbraw/zinc/69/90/76/575699076.db2.gz NQCRJBYPXAZQOB-GOSISDBHSA-N 1 1 314.385 3.459 20 5 DGBDMO CCC(CC)[N@@H+](Cn1c2cc([N+](=O)[O-])ccc2oc1=O)C1CC1 ZINC000918179433 620700860 /nfs/dbraw/zinc/70/08/60/620700860.db2.gz PYHZGYPMHCUCCG-UHFFFAOYSA-N 1 1 319.361 3.113 20 5 DGBDMO COc1cc(F)c([N+](=O)[O-])c(N[C@@H]2CC[N@H+](C(C)(C)C)C2)c1 ZINC000853763504 620735064 /nfs/dbraw/zinc/73/50/64/620735064.db2.gz LISATHOQWQWRIV-SNVBAGLBSA-N 1 1 311.357 3.027 20 5 DGBDMO C[C@@H]1CC[C@H](C)[N@@H+]1[C@H]1CCCN(c2ccc([N+](=O)[O-])cc2)C1 ZINC000919721973 620763408 /nfs/dbraw/zinc/76/34/08/620763408.db2.gz IFBCTGXJOUFJFJ-VBQJREDUSA-N 1 1 303.406 3.436 20 5 DGBDMO CC(C)[N@H+]1CCC[C@@H]1c1nc(-c2cccc([N+](=O)[O-])c2)no1 ZINC000923773551 618033113 /nfs/dbraw/zinc/03/31/13/618033113.db2.gz MMHWWCCYUKFINC-CYBMUJFWSA-N 1 1 302.334 3.190 20 5 DGBDMO COc1c(O)ccc(C[NH2+]C2(c3ccccc3)CC2)c1[N+](=O)[O-] ZINC000892884636 618339584 /nfs/dbraw/zinc/33/95/84/618339584.db2.gz LTFVJGRDLSLKBO-UHFFFAOYSA-N 1 1 314.341 3.088 20 5 DGBDMO CCOc1cccc(NCc2cc(N(C)C)cc[nH+]2)c1[N+](=O)[O-] ZINC000895466999 618788629 /nfs/dbraw/zinc/78/86/29/618788629.db2.gz ZUGNJSFGCUBAAL-UHFFFAOYSA-N 1 1 316.361 3.067 20 5 DGBDMO O=[N+]([O-])c1ccccc1/C=C/C[N@H+]1CC[C@H]([C@@H]2CCCO2)C1 ZINC000895846939 618841088 /nfs/dbraw/zinc/84/10/88/618841088.db2.gz SCSOZBHIXAKMMZ-WZNJSSNCSA-N 1 1 302.374 3.109 20 5 DGBDMO C[C@H](C[NH2+]C1CCN(CC2CC2)CC1)c1ccccc1[N+](=O)[O-] ZINC000897466498 619130993 /nfs/dbraw/zinc/13/09/93/619130993.db2.gz VXPQULGOYXHXEN-CQSZACIVSA-N 1 1 317.433 3.162 20 5 DGBDMO Cc1c([C@@H](C)[NH2+]Cc2cc(C3CC3)n(C)n2)cccc1[N+](=O)[O-] ZINC000927111202 619266880 /nfs/dbraw/zinc/26/68/80/619266880.db2.gz ABRPXXAWWOHNQW-GFCCVEGCSA-N 1 1 314.389 3.365 20 5 DGBDMO Cc1cc(OCCCc2c[nH+]cn2C)c(Cl)cc1[N+](=O)[O-] ZINC000902399052 619631331 /nfs/dbraw/zinc/63/13/31/619631331.db2.gz UYJZWEFLQOUJCH-UHFFFAOYSA-N 1 1 309.753 3.302 20 5 DGBDMO CCC[C@H]([NH2+]Cc1csc(N)n1)c1cccc([N+](=O)[O-])c1 ZINC000902488886 619646507 /nfs/dbraw/zinc/64/65/07/619646507.db2.gz PNVPLMPQEHAZBU-ZDUSSCGKSA-N 1 1 306.391 3.265 20 5 DGBDMO C[C@H](C[NH2+][C@@H]1CCCc2[nH]ncc21)c1ccccc1[N+](=O)[O-] ZINC000903244877 619743579 /nfs/dbraw/zinc/74/35/79/619743579.db2.gz FWPNTXCRAGLOID-BXUZGUMPSA-N 1 1 300.362 3.089 20 5 DGBDMO CSc1ccc([N+](=O)[O-])cc1[C@H](C)N[C@@H]1CC[N@H+](C)[C@H]1C ZINC000903301627 619753952 /nfs/dbraw/zinc/75/39/52/619753952.db2.gz SCXUVNVYJVKBCX-COPLHBTASA-N 1 1 309.435 3.060 20 5 DGBDMO CSc1ccc([N+](=O)[O-])cc1[C@H](C)N[C@@H]1CC[N@@H+](C)[C@H]1C ZINC000903301627 619753953 /nfs/dbraw/zinc/75/39/53/619753953.db2.gz SCXUVNVYJVKBCX-COPLHBTASA-N 1 1 309.435 3.060 20 5 DGBDMO O=[N+]([O-])CC[NH2+][C@@H](c1nc2ccccc2[nH]1)C1CCCCC1 ZINC000905407885 619994786 /nfs/dbraw/zinc/99/47/86/619994786.db2.gz GQNWXMOFOAQGDU-OAHLLOKOSA-N 1 1 302.378 3.051 20 5 DGBDMO C[C@@H](c1cccc([N+](=O)[O-])c1)n1cc(C[N@@H+](C)C(C)(C)C)nn1 ZINC000905788678 620032603 /nfs/dbraw/zinc/03/26/03/620032603.db2.gz PLQNZVOSHDRYKC-LBPRGKRZSA-N 1 1 317.393 3.026 20 5 DGBDMO CC(C)(C)c1coc(C[NH2+]CCOc2ccc([N+](=O)[O-])cc2)n1 ZINC000921721227 620940704 /nfs/dbraw/zinc/94/07/04/620940704.db2.gz HFIZYPAULYNAAK-UHFFFAOYSA-N 1 1 319.361 3.049 20 5 DGBDMO O=[N+]([O-])c1ccc(Cl)c(C[NH2+]Cc2cnn(C3CCC3)c2)c1 ZINC000921835627 620958122 /nfs/dbraw/zinc/95/81/22/620958122.db2.gz ZSJTWNJZRVQHSE-UHFFFAOYSA-N 1 1 320.780 3.460 20 5 DGBDMO C[C@H]([NH2+]Cc1cnn(C2CCC2)c1)c1ccccc1[N+](=O)[O-] ZINC000921968086 620974893 /nfs/dbraw/zinc/97/48/93/620974893.db2.gz XENZNPWJWLOCKI-LBPRGKRZSA-N 1 1 300.362 3.367 20 5 DGBDMO CC1(C)CC[C@@H](CO)[N@H+](Cc2cc(Cl)ccc2[N+](=O)[O-])C1 ZINC000856803602 621023271 /nfs/dbraw/zinc/02/32/71/621023271.db2.gz IEVOQNWEUVEMRM-ZDUSSCGKSA-N 1 1 312.797 3.231 20 5 DGBDMO CC1(C)CC[C@@H](CO)[N@@H+](Cc2cc(Cl)ccc2[N+](=O)[O-])C1 ZINC000856803602 621023273 /nfs/dbraw/zinc/02/32/73/621023273.db2.gz IEVOQNWEUVEMRM-ZDUSSCGKSA-N 1 1 312.797 3.231 20 5 DGBDMO O=[N+]([O-])c1ccccc1/C=C\C[NH2+][C@@H](c1ncccn1)C1CC1 ZINC000922581232 621061100 /nfs/dbraw/zinc/06/11/00/621061100.db2.gz SIAYYLUCEHIOAO-QQNRWZHASA-N 1 1 310.357 3.139 20 5 DGBDMO O=[N+]([O-])c1ccc(Cl)c(CNC[C@H]2CC[N@H+]2C2CCCC2)c1 ZINC000858285199 621171537 /nfs/dbraw/zinc/17/15/37/621171537.db2.gz JBVOYILAENWOSE-OAHLLOKOSA-N 1 1 323.824 3.355 20 5 DGBDMO O=[N+]([O-])c1ccc(Cl)c(C[NH2+]C[C@H]2CCN2C2CCCC2)c1 ZINC000858285199 621171538 /nfs/dbraw/zinc/17/15/38/621171538.db2.gz JBVOYILAENWOSE-OAHLLOKOSA-N 1 1 323.824 3.355 20 5 DGBDMO COc1cc([N+](=O)[O-])ccc1[C@H](C)[NH2+][C@H](C)c1ccns1 ZINC000858577757 621206133 /nfs/dbraw/zinc/20/61/33/621206133.db2.gz VKEVBPLGJGRXSW-VHSXEESVSA-N 1 1 307.375 3.472 20 5 DGBDMO O=[N+]([O-])c1cccc(C[N@@H+]2CCC[C@](O)(c3ccccc3)C2)c1 ZINC000859585346 621295563 /nfs/dbraw/zinc/29/55/63/621295563.db2.gz NYEMQAUNIRUIQT-GOSISDBHSA-N 1 1 312.369 3.078 20 5 DGBDMO CCOc1cc(C[NH2+][C@H](C)c2ccns2)ccc1[N+](=O)[O-] ZINC000860062013 621361867 /nfs/dbraw/zinc/36/18/67/621361867.db2.gz QWYCDBNKDJIFHY-SNVBAGLBSA-N 1 1 307.375 3.301 20 5 DGBDMO CCCCCC[N@@H+](C)CC(=O)Nc1cccc([N+](=O)[O-])c1C ZINC000118303855 621518630 /nfs/dbraw/zinc/51/86/30/621518630.db2.gz XXKGZUFDAKTJIW-UHFFFAOYSA-N 1 1 307.394 3.354 20 5 DGBDMO CCOc1cc(C[N@@H+]2CC[C@@H](C(F)(F)F)C2)ccc1[N+](=O)[O-] ZINC000755064202 621549612 /nfs/dbraw/zinc/54/96/12/621549612.db2.gz JHBINKQBTYXUJJ-LLVKDONJSA-N 1 1 318.295 3.378 20 5 DGBDMO CCOc1cc(C[N@H+]2CC[C@@H](C(F)(F)F)C2)ccc1[N+](=O)[O-] ZINC000755064202 621549614 /nfs/dbraw/zinc/54/96/14/621549614.db2.gz JHBINKQBTYXUJJ-LLVKDONJSA-N 1 1 318.295 3.378 20 5 DGBDMO Cc1cc(N2CC[C@@H](c3[nH+]ccn3C)C2)c(Cl)cc1[N+](=O)[O-] ZINC000755922352 621604187 /nfs/dbraw/zinc/60/41/87/621604187.db2.gz YTERPLRWGMQZHI-LLVKDONJSA-N 1 1 320.780 3.284 20 5 DGBDMO O=[N+]([O-])c1ccc2cnn(C[N@H+]3CCCC4(CC4)CC3)c2c1 ZINC000863330380 621664123 /nfs/dbraw/zinc/66/41/23/621664123.db2.gz KXVGWYONBCJIDK-UHFFFAOYSA-N 1 1 300.362 3.168 20 5 DGBDMO CC(C)CC[C@@H]([NH3+])c1nc(Cc2ccccc2[N+](=O)[O-])no1 ZINC000863657262 621695000 /nfs/dbraw/zinc/69/50/00/621695000.db2.gz BLKCTQYOHZIJRG-GFCCVEGCSA-N 1 1 304.350 3.005 20 5 DGBDMO CC[N@H+](Cc1occc1C)C[C@@H](O)c1cccc([N+](=O)[O-])c1 ZINC000839663235 621706033 /nfs/dbraw/zinc/70/60/33/621706033.db2.gz OSJHYHXCQRFTHE-OAHLLOKOSA-N 1 1 304.346 3.052 20 5 DGBDMO CC[C@@H](c1ccccc1)[C@@H]1CCC[N@H+]1Cn1nccc1[N+](=O)[O-] ZINC000120221813 621810581 /nfs/dbraw/zinc/81/05/81/621810581.db2.gz BPJOZXHIJKFQPT-HOTGVXAUSA-N 1 1 314.389 3.407 20 5 DGBDMO CC[N@@H+](CCC1CC1)Cn1nc(C)c2ccc([N+](=O)[O-])cc21 ZINC000760538592 621948869 /nfs/dbraw/zinc/94/88/69/621948869.db2.gz MCTLHXLVZJPZNY-UHFFFAOYSA-N 1 1 302.378 3.332 20 5 DGBDMO O=[N+]([O-])c1ccc(OCCC[N@H+]2CC[C@H](C(F)(F)F)C2)cc1 ZINC000761049322 621981883 /nfs/dbraw/zinc/98/18/83/621981883.db2.gz HAWYNIWRBVVNGK-NSHDSACASA-N 1 1 318.295 3.248 20 5 DGBDMO COc1cc(NC[C@H]2c3ccccc3C[N@H+]2C)ccc1[N+](=O)[O-] ZINC000866194898 622063654 /nfs/dbraw/zinc/06/36/54/622063654.db2.gz LFJDTEYJTSSAIO-INIZCTEOSA-N 1 1 313.357 3.202 20 5 DGBDMO COc1cc(NC[C@H]2c3ccccc3C[N@@H+]2C)ccc1[N+](=O)[O-] ZINC000866194898 622063657 /nfs/dbraw/zinc/06/36/57/622063657.db2.gz LFJDTEYJTSSAIO-INIZCTEOSA-N 1 1 313.357 3.202 20 5 DGBDMO CCCN1CCC([NH2+][C@H](C)Cc2ccc(F)cc2[N+](=O)[O-])CC1 ZINC000866218808 622068439 /nfs/dbraw/zinc/06/84/39/622068439.db2.gz YLZBPAJYVNKEMW-CYBMUJFWSA-N 1 1 323.412 3.129 20 5 DGBDMO Cc1[nH+]ccn1CCCOC(=O)c1ccc(Cl)c([N+](=O)[O-])c1 ZINC000763116101 622124503 /nfs/dbraw/zinc/12/45/03/622124503.db2.gz OEXYJSKRTBFNRN-UHFFFAOYSA-N 1 1 323.736 3.000 20 5 DGBDMO O=[N+]([O-])c1ccc(-c2cnn(C[N@H+]3CC[C@@H](C4CC4)C3)c2)cc1 ZINC000763331816 622138716 /nfs/dbraw/zinc/13/87/16/622138716.db2.gz JAYPEFHGPAEQJP-OAHLLOKOSA-N 1 1 312.373 3.148 20 5 DGBDMO C[C@H](c1cccc([N+](=O)[O-])c1)N1CC[C@](C[NH3+])(C(C)(C)C)C1 ZINC000866704657 622158335 /nfs/dbraw/zinc/15/83/35/622158335.db2.gz PYJRNJONWACTPX-CXAGYDPISA-N 1 1 305.422 3.353 20 5 DGBDMO COc1ccc(C[N@H+](C)Cc2ccc(Cl)c([N+](=O)[O-])c2)cn1 ZINC000764373508 622190602 /nfs/dbraw/zinc/19/06/02/622190602.db2.gz SCKMZUYIWXBTFQ-UHFFFAOYSA-N 1 1 321.764 3.284 20 5 DGBDMO COc1ccc(C[N@@H+](C)Cc2ccc(Cl)c([N+](=O)[O-])c2)cn1 ZINC000764373508 622190605 /nfs/dbraw/zinc/19/06/05/622190605.db2.gz SCKMZUYIWXBTFQ-UHFFFAOYSA-N 1 1 321.764 3.284 20 5 DGBDMO COc1cc(F)c([N+](=O)[O-])c(NC[C@H]2CCCC[N@H+]2C2CC2)c1 ZINC000764940411 622234611 /nfs/dbraw/zinc/23/46/11/622234611.db2.gz JPIQVCYPYNKWFR-GFCCVEGCSA-N 1 1 323.368 3.171 20 5 DGBDMO Cc1nn(C[N@H+]2CC[C@@H](C)C3(CCCCC3)C2)cc1[N+](=O)[O-] ZINC000764955453 622235764 /nfs/dbraw/zinc/23/57/64/622235764.db2.gz OKTPGEZBHFKXAA-CYBMUJFWSA-N 1 1 306.410 3.350 20 5 DGBDMO Cc1nn(C[N@@H+]2CC[C@@H](C)C3(CCCCC3)C2)cc1[N+](=O)[O-] ZINC000764955453 622235767 /nfs/dbraw/zinc/23/57/67/622235767.db2.gz OKTPGEZBHFKXAA-CYBMUJFWSA-N 1 1 306.410 3.350 20 5 DGBDMO CC[N@H+]1C[C@H](C)N(Cc2cc(Cl)ccc2[N+](=O)[O-])C[C@H]1C ZINC000766248909 622314905 /nfs/dbraw/zinc/31/49/05/622314905.db2.gz JGTHFGNDGBEZHM-NEPJUHHUSA-N 1 1 311.813 3.163 20 5 DGBDMO CC[N@H+]1C[C@@H](C)N(Cc2ccc(Cl)c([N+](=O)[O-])c2)C[C@H]1C ZINC000766253198 622315133 /nfs/dbraw/zinc/31/51/33/622315133.db2.gz JRWHNLRSKJTUES-VXGBXAGGSA-N 1 1 311.813 3.163 20 5 DGBDMO CC[N@H+]1C[C@@H](C)N(Cc2cc([N+](=O)[O-])ccc2Cl)C[C@H]1C ZINC000766255812 622315426 /nfs/dbraw/zinc/31/54/26/622315426.db2.gz XSVMRWSGZGPXAH-VXGBXAGGSA-N 1 1 311.813 3.163 20 5 DGBDMO CC[N@H+]1C[C@@H](C)N(Cc2cc([N+](=O)[O-])ccc2Cl)C[C@@H]1C ZINC000766255809 622315538 /nfs/dbraw/zinc/31/55/38/622315538.db2.gz XSVMRWSGZGPXAH-NWDGAFQWSA-N 1 1 311.813 3.163 20 5 DGBDMO C[C@@H]1CC[N@@H+](Cn2cc(-c3ccc([N+](=O)[O-])cc3)cn2)C[C@@H]1C ZINC000766380651 622325771 /nfs/dbraw/zinc/32/57/71/622325771.db2.gz KAYDNQINTLDDFQ-KGLIPLIRSA-N 1 1 314.389 3.394 20 5 DGBDMO Cc1cc(C)c(COC(=O)Cc2ccc([N+](=O)[O-])cc2)c(C)[nH+]1 ZINC000869309933 622341972 /nfs/dbraw/zinc/34/19/72/622341972.db2.gz VQNWBXPHZKOSKB-UHFFFAOYSA-N 1 1 314.341 3.201 20 5 DGBDMO Cc1cc(C)c(COC(=O)Cc2ccccc2[N+](=O)[O-])c(C)[nH+]1 ZINC000869313154 622342180 /nfs/dbraw/zinc/34/21/80/622342180.db2.gz DIKKOQKVWUDVTK-UHFFFAOYSA-N 1 1 314.341 3.201 20 5 DGBDMO CSC[C@@H]1CCC[N@H+]1Cn1nc(C)c2cc([N+](=O)[O-])ccc21 ZINC000767772853 622421381 /nfs/dbraw/zinc/42/13/81/622421381.db2.gz ALBVKXKUGJPZJI-ZDUSSCGKSA-N 1 1 320.418 3.038 20 5 DGBDMO C[C@H]1CCC[N@H+]1CCNc1ccc([N+](=O)[O-])c(OC(F)F)c1 ZINC000771227439 622729429 /nfs/dbraw/zinc/72/94/29/622729429.db2.gz AAAAIWVJASCCQH-JTQLQIEISA-N 1 1 315.320 3.092 20 5 DGBDMO CCc1cc(C[NH2+][C@H](C)c2cc([N+](=O)[O-])ccc2SC)[nH]n1 ZINC000872035452 622765802 /nfs/dbraw/zinc/76/58/02/622765802.db2.gz ONFWSLUACDWPFW-SNVBAGLBSA-N 1 1 320.418 3.453 20 5 DGBDMO CSc1ccc([N+](=O)[O-])cc1[C@@H](C)[NH2+][C@@H](C)c1cnn(C)c1 ZINC000872039113 622768849 /nfs/dbraw/zinc/76/88/49/622768849.db2.gz QNBVKDZZVVPICH-WDEREUQCSA-N 1 1 320.418 3.462 20 5 DGBDMO Cc1cc(C[C@H](C)[NH2+][C@H](C)c2c(F)cccc2[N+](=O)[O-])n[nH]1 ZINC000872049959 622775781 /nfs/dbraw/zinc/77/57/81/622775781.db2.gz XNVGYKKPOGMAMT-GXSJLCMTSA-N 1 1 306.341 3.047 20 5 DGBDMO CSc1ccc([N+](=O)[O-])cc1[C@@H](C)[NH2+][C@H](C)c1cn[nH]c1 ZINC000872052944 622777992 /nfs/dbraw/zinc/77/79/92/622777992.db2.gz UNCHRSXCPQGPQP-NXEZZACHSA-N 1 1 306.391 3.452 20 5 DGBDMO CSc1ccc([N+](=O)[O-])cc1[C@@H](C)NCC1([NH+](C)C)CC1 ZINC000872078689 622793110 /nfs/dbraw/zinc/79/31/10/622793110.db2.gz DDHLJWCRQSDEPE-LLVKDONJSA-N 1 1 309.435 3.062 20 5 DGBDMO C[C@H](NC[C@@H]1CC[N@H+]1C(C)(C)C)c1c(F)cccc1[N+](=O)[O-] ZINC000872086236 622797474 /nfs/dbraw/zinc/79/74/74/622797474.db2.gz VPOXABAVMYBKTH-RYUDHWBXSA-N 1 1 309.385 3.257 20 5 DGBDMO C[C@H]([NH2+]C[C@@H]1CCN1C(C)(C)C)c1c(F)cccc1[N+](=O)[O-] ZINC000872086236 622797479 /nfs/dbraw/zinc/79/74/79/622797479.db2.gz VPOXABAVMYBKTH-RYUDHWBXSA-N 1 1 309.385 3.257 20 5 DGBDMO C[C@H](NC[C@H]1CCCC[N@@H+](C)C1)c1c(F)cccc1[N+](=O)[O-] ZINC000872087887 622797967 /nfs/dbraw/zinc/79/79/67/622797967.db2.gz LQOFNDHOBAAIAR-QWHCGFSZSA-N 1 1 309.385 3.116 20 5 DGBDMO CSc1ccc([N+](=O)[O-])cc1[C@H](C)[NH2+][C@@H](C)c1ccnn1C ZINC000872093439 622802551 /nfs/dbraw/zinc/80/25/51/622802551.db2.gz VDASUJMJAZSYDU-QWRGUYRKSA-N 1 1 320.418 3.462 20 5 DGBDMO CSc1ccc([N+](=O)[O-])cc1[C@H](C)[NH2+][C@H](C)c1ccnn1C ZINC000872093441 622802949 /nfs/dbraw/zinc/80/29/49/622802949.db2.gz VDASUJMJAZSYDU-WDEREUQCSA-N 1 1 320.418 3.462 20 5 DGBDMO Cc1nccnc1[C@@H](C)[NH2+][C@@H]1CCCc2ccc([N+](=O)[O-])cc21 ZINC000872135087 622827508 /nfs/dbraw/zinc/82/75/08/622827508.db2.gz VCJZBYJSWZEHEW-MLGOLLRUSA-N 1 1 312.373 3.421 20 5 DGBDMO CC(=O)c1c(NCCCCn2cc[nH+]c2C)cccc1[N+](=O)[O-] ZINC000882014361 625608049 /nfs/dbraw/zinc/60/80/49/625608049.db2.gz IKFJMOFOBRFRCX-UHFFFAOYSA-N 1 1 316.361 3.195 20 5 DGBDMO CCOc1cccc(F)c1C[NH2+]Cc1ccc([N+](=O)[O-])cc1 ZINC000873016553 623018227 /nfs/dbraw/zinc/01/82/27/623018227.db2.gz NNPVGMOSGQLJML-UHFFFAOYSA-N 1 1 304.321 3.422 20 5 DGBDMO Cc1ccc([N+](=O)[O-])c(C)c1C[NH2+][C@@H]1C[C@@H](C)n2ccnc21 ZINC000873129910 623043078 /nfs/dbraw/zinc/04/30/78/623043078.db2.gz UAIAHTGBPDUHJV-BXUZGUMPSA-N 1 1 300.362 3.204 20 5 DGBDMO CC[C@@H]1[C@@H](C)CC[N@H+]1Cn1nc(C)c2ccc([N+](=O)[O-])cc21 ZINC000774618012 623166494 /nfs/dbraw/zinc/16/64/94/623166494.db2.gz HHMQVRVOXNQNRJ-XHDPSFHLSA-N 1 1 302.378 3.331 20 5 DGBDMO CC1(C)CC[N@H+](Cn2ncc3cc([N+](=O)[O-])cc(Cl)c32)C1 ZINC000774638389 623169577 /nfs/dbraw/zinc/16/95/77/623169577.db2.gz RIAFYCZFHAPUPX-UHFFFAOYSA-N 1 1 308.769 3.287 20 5 DGBDMO CC1(C)CC[N@@H+](Cn2ncc3cc([N+](=O)[O-])cc(Cl)c32)C1 ZINC000774638389 623169578 /nfs/dbraw/zinc/16/95/78/623169578.db2.gz RIAFYCZFHAPUPX-UHFFFAOYSA-N 1 1 308.769 3.287 20 5 DGBDMO CC(C)(C)[C@@H]1CC[N@@H+](Cc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])C1 ZINC000775061619 623224517 /nfs/dbraw/zinc/22/45/17/623224517.db2.gz YRISATXKKRWADK-GFCCVEGCSA-N 1 1 307.350 3.371 20 5 DGBDMO C[N@@H+](C[C@@H](O)c1ccc([N+](=O)[O-])cc1)[C@@H]1CCc2ccccc21 ZINC000776276570 623405763 /nfs/dbraw/zinc/40/57/63/623405763.db2.gz NZYIOFZOVYIEHZ-QZTJIDSGSA-N 1 1 312.369 3.248 20 5 DGBDMO C[N@@H+](CCCc1ccccc1)C[C@H](O)c1ccc([N+](=O)[O-])cc1 ZINC000776277428 623406196 /nfs/dbraw/zinc/40/61/96/623406196.db2.gz PGSKLSCHNKGCGF-SFHVURJKSA-N 1 1 314.385 3.193 20 5 DGBDMO O=[N+]([O-])c1ccc([C@@H](O)C[N@H+]2CC[C@@H](c3ccccc3)C2)cc1 ZINC000776578160 623442307 /nfs/dbraw/zinc/44/23/07/623442307.db2.gz DRTIXCGBOQJWIQ-AEFFLSMTSA-N 1 1 312.369 3.118 20 5 DGBDMO C[C@@H]1Cc2ccccc2C[N@H+]1C[C@@H](O)c1ccc([N+](=O)[O-])cc1 ZINC000776590343 623444117 /nfs/dbraw/zinc/44/41/17/623444117.db2.gz ZVCQAIZGGADQNO-FZKQIMNGSA-N 1 1 312.369 3.075 20 5 DGBDMO C[C@@H]1CC[N@@H+](C[C@@H](O)c2ccc([N+](=O)[O-])cc2)CC12CCC2 ZINC000776596967 623445343 /nfs/dbraw/zinc/44/53/43/623445343.db2.gz BDIHDQGKLTVMNK-CZUORRHYSA-N 1 1 304.390 3.140 20 5 DGBDMO O=[N+]([O-])c1ccc(F)cc1C[N@H+]1CCC[C@@H]1C1CCOCC1 ZINC000777739969 623563900 /nfs/dbraw/zinc/56/39/00/623563900.db2.gz SXHBJMAVWBGPOV-OAHLLOKOSA-N 1 1 308.353 3.125 20 5 DGBDMO C[C@H]1CC[N@@H+](Cn2cc(-c3cccc([N+](=O)[O-])c3)cn2)C[C@H]1C ZINC000777958567 623591033 /nfs/dbraw/zinc/59/10/33/623591033.db2.gz RHWWVMHJMDIKPN-UONOGXRCSA-N 1 1 314.389 3.394 20 5 DGBDMO C[C@@H]1CC[N@@H+](Cn2cc(-c3cccc([N+](=O)[O-])c3)cn2)[C@H]1C ZINC000777963390 623591697 /nfs/dbraw/zinc/59/16/97/623591697.db2.gz KSPLVZXZYBQQEW-OLZOCXBDSA-N 1 1 300.362 3.146 20 5 DGBDMO C[C@@H]1C[C@@H](C[N@@H+](C)Cc2cc([N+](=O)[O-])ccc2Cl)CCO1 ZINC000778994774 623718702 /nfs/dbraw/zinc/71/87/02/623718702.db2.gz KTYOUQUNNOXBDT-NEPJUHHUSA-N 1 1 312.797 3.495 20 5 DGBDMO C[N@@H+](C1CCCC1)C(C)(C)C(=O)OCc1ccccc1[N+](=O)[O-] ZINC000779121936 623732039 /nfs/dbraw/zinc/73/20/39/623732039.db2.gz HCUMHCHCODPNBU-UHFFFAOYSA-N 1 1 320.389 3.291 20 5 DGBDMO Cc1nn(C[N@H+]2CCC[C@@H]2CCC2CCCC2)cc1[N+](=O)[O-] ZINC000779866167 623824273 /nfs/dbraw/zinc/82/42/73/623824273.db2.gz CKABFCGLPAQXOH-OAHLLOKOSA-N 1 1 306.410 3.492 20 5 DGBDMO Cc1ccc2c(c1)nc(C[NH2+]Cc1cccc([N+](=O)[O-])c1C)n2C ZINC000877400460 623868272 /nfs/dbraw/zinc/86/82/72/623868272.db2.gz USTVGHKDTGEWRV-UHFFFAOYSA-N 1 1 324.384 3.388 20 5 DGBDMO Cn1ccnc1[C@@H]([NH2+]CCC1CCC1)c1ccc([N+](=O)[O-])cc1 ZINC000780765475 623981551 /nfs/dbraw/zinc/98/15/51/623981551.db2.gz DAQGQKVXJMFYNM-INIZCTEOSA-N 1 1 314.389 3.198 20 5 DGBDMO C[NH+]1CCC2(CCN(Cc3ccc([N+](=O)[O-])cc3F)CC2)CC1 ZINC000877684507 623991004 /nfs/dbraw/zinc/99/10/04/623991004.db2.gz PKGHRPRHIGHKAT-UHFFFAOYSA-N 1 1 321.396 3.042 20 5 DGBDMO O=[N+]([O-])c1cc(C[N@H+]2CC[C@H]3CSC[C@@H]3C2)ccc1Cl ZINC000877737352 624010800 /nfs/dbraw/zinc/01/08/00/624010800.db2.gz FWDCFZSBLWSFMO-RYUDHWBXSA-N 1 1 312.822 3.433 20 5 DGBDMO O=[N+]([O-])c1ccccc1/C=C/C[N@H+]1CC[C@@H]2CSC[C@H]2C1 ZINC000877741479 624013403 /nfs/dbraw/zinc/01/34/03/624013403.db2.gz VWSKWCAIFAWCQF-UJOCRUBTSA-N 1 1 304.415 3.293 20 5 DGBDMO Cc1csc([C@H]2CC[N@@H+](Cc3ccc([N+](=O)[O-])cc3F)C2)n1 ZINC000877813311 624045931 /nfs/dbraw/zinc/04/59/31/624045931.db2.gz KUJVBFCJFOYRAD-LBPRGKRZSA-N 1 1 321.377 3.488 20 5 DGBDMO C/C(=C/c1cccc([N+](=O)[O-])c1)C[N@H+]1CC[C@@H](C(C)(C)O)C1 ZINC000877836091 624064574 /nfs/dbraw/zinc/06/45/74/624064574.db2.gz MOXHAWMPFJGHGS-UZGISAJGSA-N 1 1 304.390 3.091 20 5 DGBDMO CC[N@H+](Cc1nnc(-c2ccc(Cl)cc2[N+](=O)[O-])o1)C1CC1 ZINC000877953713 624108191 /nfs/dbraw/zinc/10/81/91/624108191.db2.gz BZBBQKHXVVKCMB-UHFFFAOYSA-N 1 1 322.752 3.283 20 5 DGBDMO CC[N@@H+](Cc1nnc(-c2ccc(Cl)cc2[N+](=O)[O-])o1)C1CC1 ZINC000877953713 624108193 /nfs/dbraw/zinc/10/81/93/624108193.db2.gz BZBBQKHXVVKCMB-UHFFFAOYSA-N 1 1 322.752 3.283 20 5 DGBDMO CC(C)[C@H]1CCC[N@H+]1Cc1nnc(-c2ccccc2[N+](=O)[O-])o1 ZINC000877996463 624130450 /nfs/dbraw/zinc/13/04/50/624130450.db2.gz SXEYFXUHCFLYIA-CYBMUJFWSA-N 1 1 316.361 3.265 20 5 DGBDMO CC[C@@H]1CCC[N@H+]1Cc1nnc(-c2ccccc2[N+](=O)[O-])o1 ZINC000878045981 624148380 /nfs/dbraw/zinc/14/83/80/624148380.db2.gz OVYXYAJMQYPJHM-LLVKDONJSA-N 1 1 302.334 3.019 20 5 DGBDMO C[C@@H]1C[N@@H+](Cn2ncc3cc([N+](=O)[O-])ccc32)[C@H]2CCCC[C@H]12 ZINC000782274608 624230836 /nfs/dbraw/zinc/23/08/36/624230836.db2.gz BRZOBCSGZABAFS-VMGRFDJRSA-N 1 1 314.389 3.413 20 5 DGBDMO C[C@@H]1C[N@@H+](Cn2ncc3cc([N+](=O)[O-])ccc32)[C@@H]2CCCC[C@H]21 ZINC000782274594 624231221 /nfs/dbraw/zinc/23/12/21/624231221.db2.gz BRZOBCSGZABAFS-ISTRZQFTSA-N 1 1 314.389 3.413 20 5 DGBDMO C[C@@H]1C[N@@H+](C[C@H](O)c2ccc([N+](=O)[O-])cc2)[C@H]2CCCC[C@H]12 ZINC000782502858 624257414 /nfs/dbraw/zinc/25/74/14/624257414.db2.gz HVIGJJOYUIZSAZ-VZEFYGNVSA-N 1 1 304.390 3.139 20 5 DGBDMO CCCCCC[N@@H+](C)CC(=O)Nc1ccc(OC)c([N+](=O)[O-])c1 ZINC000782812929 624283195 /nfs/dbraw/zinc/28/31/95/624283195.db2.gz COQXEIFKTVLWNL-UHFFFAOYSA-N 1 1 323.393 3.054 20 5 DGBDMO CCOC(C[N@@H+](CC)Cc1ccc(C)c([N+](=O)[O-])c1)OCC ZINC000878685793 624340065 /nfs/dbraw/zinc/34/00/65/624340065.db2.gz MKVNUNZTPREHIE-UHFFFAOYSA-N 1 1 310.394 3.124 20 5 DGBDMO C[C@@H]1C[N@@H+](Cc2nnc(-c3ccccc3[N+](=O)[O-])o2)[C@@H](C)[C@H]1C ZINC000878718081 624346642 /nfs/dbraw/zinc/34/66/42/624346642.db2.gz OKUSRJQKAFNOSO-WOPDTQHZSA-N 1 1 316.361 3.121 20 5 DGBDMO C[C@H]1[C@@H](C)[N@H+](Cc2nnc(-c3ccccc3[N+](=O)[O-])o2)C[C@H]1C ZINC000878718079 624347159 /nfs/dbraw/zinc/34/71/59/624347159.db2.gz OKUSRJQKAFNOSO-IJLUTSLNSA-N 1 1 316.361 3.121 20 5 DGBDMO CC[C@H](C)[N@@H+](CC)Cc1nnc(-c2ccccc2[N+](=O)[O-])o1 ZINC000878884839 624380182 /nfs/dbraw/zinc/38/01/82/624380182.db2.gz NCYGCEGXYWJVBP-NSHDSACASA-N 1 1 304.350 3.265 20 5 DGBDMO COC[C@@H]1CCCC[N@@H+](Cc2ccc([N+](=O)[O-])c(Cl)c2)C1 ZINC000783676234 624382580 /nfs/dbraw/zinc/38/25/80/624382580.db2.gz GPWPZKWOTJIBKF-CYBMUJFWSA-N 1 1 312.797 3.497 20 5 DGBDMO O=[N+]([O-])c1cccc(C[N@@H+]2CCC[C@H]2[C@@H](O)c2ccccc2)c1 ZINC000879242292 624458995 /nfs/dbraw/zinc/45/89/95/624458995.db2.gz YOOSHQRYPANVDM-ROUUACIJSA-N 1 1 312.369 3.293 20 5 DGBDMO Cc1nc(F)ccc1C[NH2+]Cc1cc([N+](=O)[O-])ccc1Cl ZINC000785484135 624675877 /nfs/dbraw/zinc/67/58/77/624675877.db2.gz GZEFTJIXQIRUDI-UHFFFAOYSA-N 1 1 309.728 3.381 20 5 DGBDMO COc1ccc([N+](=O)[O-])cc1C[N@H+]1CC[C@H](c2nccs2)C1 ZINC000880313386 624910482 /nfs/dbraw/zinc/91/04/82/624910482.db2.gz MELGZBNMKNKSOM-NSHDSACASA-N 1 1 319.386 3.049 20 5 DGBDMO Cc1noc(C[N@@H+]2CCC[C@]2(C)c2ccccc2)c1[N+](=O)[O-] ZINC000880372326 624939033 /nfs/dbraw/zinc/93/90/33/624939033.db2.gz VSGNWMBESALAKT-MRXNPFEDSA-N 1 1 301.346 3.402 20 5 DGBDMO Cc1noc(C[N@H+]2CCC[C@]2(C)c2ccccc2)c1[N+](=O)[O-] ZINC000880372326 624939035 /nfs/dbraw/zinc/93/90/35/624939035.db2.gz VSGNWMBESALAKT-MRXNPFEDSA-N 1 1 301.346 3.402 20 5 DGBDMO CC1=C[C@@H](C)C[N@@H+](Cn2cc(-c3cccc([N+](=O)[O-])c3)cn2)C1 ZINC000797417009 626141239 /nfs/dbraw/zinc/14/12/39/626141239.db2.gz LQVBYCHTBHKTAG-CYBMUJFWSA-N 1 1 312.373 3.314 20 5 DGBDMO O=[N+]([O-])c1ccc2oc(C[N@H+]3CC[C@H](c4ccccn4)C3)nc2c1 ZINC000799193557 626279643 /nfs/dbraw/zinc/27/96/43/626279643.db2.gz LOIXQBMSGLUFMF-LBPRGKRZSA-N 1 1 324.340 3.121 20 5 DGBDMO Cc1ccc([C@@H](O)C[N@@H+](C)CCc2cccc([N+](=O)[O-])c2)cc1 ZINC000801600209 626411921 /nfs/dbraw/zinc/41/19/21/626411921.db2.gz MRBFOFNEKZTNJB-SFHVURJKSA-N 1 1 314.385 3.111 20 5 DGBDMO C[N@H+]1CC[C@H](CSc2nc3ccc([N+](=O)[O-])cc3s2)C1 ZINC000839987590 626588664 /nfs/dbraw/zinc/58/86/64/626588664.db2.gz XKEWGLVJAUCJNG-VIFPVBQESA-N 1 1 309.416 3.248 20 5 DGBDMO CCC[N@@H+](C)CC(=O)Nc1ccc(C(C)(C)C)c([N+](=O)[O-])c1 ZINC000803617895 626625507 /nfs/dbraw/zinc/62/55/07/626625507.db2.gz YKKKUINEUZUCAL-UHFFFAOYSA-N 1 1 307.394 3.173 20 5 DGBDMO C[N@H+]1CCCC[C@H]1CCC(=O)OCc1ccc([N+](=O)[O-])cc1F ZINC000803854570 626644268 /nfs/dbraw/zinc/64/42/68/626644268.db2.gz UHDPZJMYQNEMIT-ZDUSSCGKSA-N 1 1 324.352 3.042 20 5 DGBDMO CC(=O)c1cc([N+](=O)[O-])ccc1NCCC[N@@H+]1CCCC[C@@H]1C ZINC000804330110 626670194 /nfs/dbraw/zinc/67/01/94/626670194.db2.gz LIMQESHKMFFBCP-ZDUSSCGKSA-N 1 1 319.405 3.474 20 5 DGBDMO O=[N+]([O-])c1ccc2cnn(C[N@H+]3CCC[C@@H](C4CC4)C3)c2c1 ZINC000808229945 626806654 /nfs/dbraw/zinc/80/66/54/626806654.db2.gz DWDWIDHMXIMVQO-CQSZACIVSA-N 1 1 300.362 3.024 20 5 DGBDMO Cc1nn(C[N@H+]2CCC[C@@H](C3CC3)C2)c2ccc([N+](=O)[O-])cc12 ZINC000808230018 626806676 /nfs/dbraw/zinc/80/66/76/626806676.db2.gz FPLZAHQNFDJIDU-CQSZACIVSA-N 1 1 314.389 3.332 20 5 DGBDMO C[C@H]1C[N@@H+](C)CC[C@@H]1N(C)Cc1ccc([N+](=O)[O-])c(Cl)c1 ZINC000809766462 626948809 /nfs/dbraw/zinc/94/88/09/626948809.db2.gz XYFIINSNHRDQRN-FZMZJTMJSA-N 1 1 311.813 3.020 20 5 DGBDMO C[C@H]1CN(C)CC[C@@H]1[N@H+](C)Cc1ccc([N+](=O)[O-])c(Cl)c1 ZINC000809766462 626948813 /nfs/dbraw/zinc/94/88/13/626948813.db2.gz XYFIINSNHRDQRN-FZMZJTMJSA-N 1 1 311.813 3.020 20 5 DGBDMO C[C@H]1CN(C)CC[C@@H]1[N@@H+](C)Cc1ccc([N+](=O)[O-])c(Cl)c1 ZINC000809766462 626948816 /nfs/dbraw/zinc/94/88/16/626948816.db2.gz XYFIINSNHRDQRN-FZMZJTMJSA-N 1 1 311.813 3.020 20 5 DGBDMO C[N@@H+](Cc1cc(Cl)cc(Cl)c1[N+](=O)[O-])CC1(O)CCC1 ZINC000809976910 626964964 /nfs/dbraw/zinc/96/49/64/626964964.db2.gz MOUJYLMJSPPUBD-UHFFFAOYSA-N 1 1 319.188 3.248 20 5 DGBDMO CO[C@@H](C)C[N@H+](C)Cc1cc(Cl)cc(Cl)c1[N+](=O)[O-] ZINC000810018134 626968951 /nfs/dbraw/zinc/96/89/51/626968951.db2.gz RLTSWWIWNUAPJW-QMMMGPOBSA-N 1 1 307.177 3.368 20 5 DGBDMO CO[C@@H](C)C[N@@H+](C)Cc1cc(Cl)cc(Cl)c1[N+](=O)[O-] ZINC000810018134 626968952 /nfs/dbraw/zinc/96/89/52/626968952.db2.gz RLTSWWIWNUAPJW-QMMMGPOBSA-N 1 1 307.177 3.368 20 5 DGBDMO Cc1ccc(OC(=O)[C@]2(F)CC[N@H+](C(C)(C)C)C2)c([N+](=O)[O-])c1 ZINC000810534149 627012991 /nfs/dbraw/zinc/01/29/91/627012991.db2.gz HYTPDINHIUCVOC-INIZCTEOSA-N 1 1 324.352 3.021 20 5 DGBDMO COc1ccccc1[C@H]1CCC[N@@H+]1Cc1cccnc1[N+](=O)[O-] ZINC000885984020 627076087 /nfs/dbraw/zinc/07/60/87/627076087.db2.gz VTTVUCRPQSGUQG-OAHLLOKOSA-N 1 1 313.357 3.336 20 5 DGBDMO COc1ccccc1[C@H]1CCC[N@H+]1Cc1cccnc1[N+](=O)[O-] ZINC000885984020 627076091 /nfs/dbraw/zinc/07/60/91/627076091.db2.gz VTTVUCRPQSGUQG-OAHLLOKOSA-N 1 1 313.357 3.336 20 5 DGBDMO O=[N+]([O-])c1ncccc1C[N@H+]1CC[C@@H](c2cccc(F)c2)C1 ZINC000885989208 627077371 /nfs/dbraw/zinc/07/73/71/627077371.db2.gz YLFATUFYKXSPEZ-CYBMUJFWSA-N 1 1 301.321 3.118 20 5 DGBDMO CCOc1ccc([C@H](C)[NH2+]Cc2cccnc2[N+](=O)[O-])cc1 ZINC000886104920 627105896 /nfs/dbraw/zinc/10/58/96/627105896.db2.gz NQFFNSOWZJTFHV-LBPRGKRZSA-N 1 1 301.346 3.239 20 5 DGBDMO Cc1nn(C(C)(C)C)cc1[C@@H](C)[NH2+]Cc1cccnc1[N+](=O)[O-] ZINC000886136572 627110551 /nfs/dbraw/zinc/11/05/51/627110551.db2.gz QSAGSJIISAGIEI-LLVKDONJSA-N 1 1 317.393 3.101 20 5 DGBDMO Cc1noc(C[N@@H+]2CC[C@@H](C)[C@H]2c2ccccc2)c1[N+](=O)[O-] ZINC000886540229 627159133 /nfs/dbraw/zinc/15/91/33/627159133.db2.gz BCFXVVMXQCNOQV-ABAIWWIYSA-N 1 1 301.346 3.474 20 5 DGBDMO C[C@H](c1cccc([N+](=O)[O-])c1)[N@H+]1CCC[C@H](c2ncccn2)C1 ZINC000886676742 627187443 /nfs/dbraw/zinc/18/74/43/627187443.db2.gz LIVLCHFUUNKDLG-HIFRSBDPSA-N 1 1 312.373 3.325 20 5 DGBDMO O=[N+]([O-])c1ccc(Cl)cc1C[N@H+]1CC[C@H]([C@@H]2CCCO2)C1 ZINC000886830683 627209793 /nfs/dbraw/zinc/20/97/93/627209793.db2.gz WBSWWPXOEMLYPQ-NHYWBVRUSA-N 1 1 310.781 3.249 20 5 DGBDMO CCC[N@@H+](CC)C[C@@H](C)Nc1cc([N+](=O)[O-])ccc1C(C)=O ZINC000811868984 627331720 /nfs/dbraw/zinc/33/17/20/627331720.db2.gz ZLTWUNZLJKGVKY-GFCCVEGCSA-N 1 1 307.394 3.330 20 5 DGBDMO Cc1ccc([N+](=O)[O-])cc1NC(=O)[C@]1(F)CC[N@H+](C(C)(C)C)C1 ZINC000812834149 627427113 /nfs/dbraw/zinc/42/71/13/627427113.db2.gz LUFWJSRWZAQFKM-INIZCTEOSA-N 1 1 323.368 3.054 20 5 DGBDMO Cc1cc([N+](=O)[O-])ccc1N1CC[N@H+](C2CCC2)C[C@@H](C)C1 ZINC000813630192 627504519 /nfs/dbraw/zinc/50/45/19/627504519.db2.gz IWBPYOPZCFYCRH-CYBMUJFWSA-N 1 1 303.406 3.214 20 5 DGBDMO Cc1cc([N+](=O)[O-])cc(Cl)c1N1CC[C@]2(C1)CCC[N@H+](C)C2 ZINC000814909237 627606353 /nfs/dbraw/zinc/60/63/53/627606353.db2.gz IYVFZFOVPRRIGP-MRXNPFEDSA-N 1 1 323.824 3.479 20 5 DGBDMO Cc1ccc([C@@H](C)[NH2+]Cc2cnn(C)c2Cl)cc1[N+](=O)[O-] ZINC000815128729 627633364 /nfs/dbraw/zinc/63/33/64/627633364.db2.gz LENFYUNHRWSEEF-SNVBAGLBSA-N 1 1 308.769 3.141 20 5 DGBDMO CC[C@H](NC[C@]12CCC[C@H]1[NH2+]CC2)c1cccc([N+](=O)[O-])c1 ZINC000925840692 627804335 /nfs/dbraw/zinc/80/43/35/627804335.db2.gz KHXFZYIUWZWABS-GVDBMIGSSA-N 1 1 303.406 3.168 20 5 DGBDMO O=[N+]([O-])c1ccc([C@H](O)C[N@H+]2CC[C@@H](C3CCCC3)C2)cc1 ZINC000817283415 627878307 /nfs/dbraw/zinc/87/83/07/627878307.db2.gz VMMKWECNUPLAIK-NVXWUHKLSA-N 1 1 304.390 3.140 20 5 DGBDMO COc1ccnc([C@H](C)[NH2+][C@@H](C)c2ccc([N+](=O)[O-])cc2)c1 ZINC000926492474 627903801 /nfs/dbraw/zinc/90/38/01/627903801.db2.gz AUAAEVHYZHANIJ-RYUDHWBXSA-N 1 1 301.346 3.410 20 5 DGBDMO CCc1onc(C)c1C[NH2+][C@H]1CCc2c1cccc2[N+](=O)[O-] ZINC000927134881 628023531 /nfs/dbraw/zinc/02/35/31/628023531.db2.gz NPJULGZSWRBPML-AWEZNQCLSA-N 1 1 301.346 3.231 20 5 DGBDMO CC1(C)C[C@H](c2ccccc2)[N@H+](Cn2nccc2[N+](=O)[O-])C1 ZINC000819900374 628196933 /nfs/dbraw/zinc/19/69/33/628196933.db2.gz BZNYXXJGEIZBIE-CQSZACIVSA-N 1 1 300.362 3.222 20 5 DGBDMO CC1(C)C[C@H](c2ccccc2)[N@@H+](Cn2nccc2[N+](=O)[O-])C1 ZINC000819900374 628196936 /nfs/dbraw/zinc/19/69/36/628196936.db2.gz BZNYXXJGEIZBIE-CQSZACIVSA-N 1 1 300.362 3.222 20 5 DGBDMO C[C@H](c1ccccc1[N+](=O)[O-])[N@@H+](C)C[C@](C)(O)c1ccccc1 ZINC000823591739 628577547 /nfs/dbraw/zinc/57/75/47/628577547.db2.gz MZSZHURAWQWKLO-KDOFPFPSSA-N 1 1 314.385 3.495 20 5 DGBDMO O=[N+]([O-])c1ccc(Cl)c(C[N@@H+]2CCC[C@@H]2[C@H]2CCC[C@@H]2O)c1 ZINC000824716698 628687052 /nfs/dbraw/zinc/68/70/52/628687052.db2.gz XVMGKJYVUYVNQU-BMFZPTHFSA-N 1 1 324.808 3.374 20 5 DGBDMO CC(C)[N@H+]1CC[C@H](N(C)Cc2cc(Cl)ccc2[N+](=O)[O-])C1 ZINC000825337556 628751717 /nfs/dbraw/zinc/75/17/17/628751717.db2.gz HDVGGRLSTFBYCR-AWEZNQCLSA-N 1 1 311.813 3.163 20 5 DGBDMO C[C@H]1CN(c2ccc([N+](=O)[O-])cc2Cl)CC[N@H+](C2CC2)C1 ZINC000828258106 629038800 /nfs/dbraw/zinc/03/88/00/629038800.db2.gz ABDBYTJBBOHRMO-LLVKDONJSA-N 1 1 309.797 3.169 20 5 DGBDMO CC[C@H]1C[N@@H+](CC)CCN1c1nc2ccc([N+](=O)[O-])cc2s1 ZINC000829126956 629132664 /nfs/dbraw/zinc/13/26/64/629132664.db2.gz RPWPYDCZYDQNPI-NSHDSACASA-N 1 1 320.418 3.125 20 5 DGBDMO O=[N+]([O-])c1ccc(F)cc1C[N@H+]1CC[C@H](c2cccnc2)C1 ZINC000829505633 629163761 /nfs/dbraw/zinc/16/37/61/629163761.db2.gz OPFYZSNOXGOXHR-ZDUSSCGKSA-N 1 1 301.321 3.118 20 5 DGBDMO Cc1c(F)ccc([N+](=O)[O-])c1C(=O)OCC[C@H]1CCCC[N@@H+]1C ZINC000830365783 629259368 /nfs/dbraw/zinc/25/93/68/629259368.db2.gz OITWBKSDSFCPJR-GFCCVEGCSA-N 1 1 324.352 3.074 20 5 DGBDMO O=[N+]([O-])c1ccc([C@H](O)C[N@H+]2CCCC[C@@H]2C2CCC2)cc1 ZINC000830989207 629327403 /nfs/dbraw/zinc/32/74/03/629327403.db2.gz UMGFSXXFTAHBFP-IAGOWNOFSA-N 1 1 304.390 3.283 20 5 DGBDMO C[C@@]12C[N@@H+](Cc3ccc([N+](=O)[O-])c(F)c3)C[C@H]1[C@@H]1C=C[C@H]2C1 ZINC000831009821 629330585 /nfs/dbraw/zinc/33/05/85/629330585.db2.gz HJANKYQMFSHBSO-FHIRATQRSA-N 1 1 302.349 3.378 20 5 DGBDMO COc1cc(C[NH2+]Cc2ccc(C)c(F)c2)c([N+](=O)[O-])cc1O ZINC000101590137 629742949 /nfs/dbraw/zinc/74/29/49/629742949.db2.gz XTOVGIINIORMBT-UHFFFAOYSA-N 1 1 320.320 3.046 20 5 DGBDMO CC(C)[N@H+]1CCCC[C@@H]1COC(=O)c1csc([N+](=O)[O-])c1 ZINC000837446322 630258801 /nfs/dbraw/zinc/25/88/01/630258801.db2.gz NCGLPGHUONIPSP-GFCCVEGCSA-N 1 1 312.391 3.076 20 5 DGBDMO C[N@@H+](CCOc1ccc([N+](=O)[O-])c(F)c1F)Cc1ccccc1 ZINC000842076895 630488697 /nfs/dbraw/zinc/48/86/97/630488697.db2.gz SRZGEKVGPWWYHE-UHFFFAOYSA-N 1 1 322.311 3.384 20 5 DGBDMO O=[N+]([O-])c1ccc(F)cc1C[NH+]1CCC(OC2CCC2)CC1 ZINC000842161752 630500433 /nfs/dbraw/zinc/50/04/33/630500433.db2.gz RBWVVXCYCYFKGG-UHFFFAOYSA-N 1 1 308.353 3.267 20 5 DGBDMO Cc1cc([N+](=O)[O-])ccc1C(=O)OC[C@H]1CCC[N@H+](C(C)C)C1 ZINC000842832175 630581833 /nfs/dbraw/zinc/58/18/33/630581833.db2.gz AFCCRVSCNDBDTI-AWEZNQCLSA-N 1 1 320.389 3.180 20 5 DGBDMO CC(C)[C@@H]1[N@@H+](C[C@@H](O)c2cccc([N+](=O)[O-])c2)CC12CC=CC2 ZINC000843296499 630643161 /nfs/dbraw/zinc/64/31/61/630643161.db2.gz MGXXSBCSROUPDI-SJORKVTESA-N 1 1 316.401 3.305 20 5 DGBDMO O=[N+]([O-])c1ccccc1-c1cnn(C[N@H+]2CC[C@H](C3CC3)C2)c1 ZINC000848481693 631668503 /nfs/dbraw/zinc/66/85/03/631668503.db2.gz BQLMMKCZOSYXIQ-AWEZNQCLSA-N 1 1 312.373 3.148 20 5 DGBDMO CC[C@@H]1CC[N@@H+](Cn2cc(-c3ccccc3[N+](=O)[O-])cn2)C1 ZINC000848483035 631669047 /nfs/dbraw/zinc/66/90/47/631669047.db2.gz XMWZVKMVTCARJF-CYBMUJFWSA-N 1 1 300.362 3.148 20 5 DGBDMO CC(C)(C)[N@H+]1CC[C@@H](NCc2cc([N+](=O)[O-])ccc2Cl)C1 ZINC000850351731 632121578 /nfs/dbraw/zinc/12/15/78/632121578.db2.gz RZAXMQQNTBCPDX-GFCCVEGCSA-N 1 1 311.813 3.211 20 5 DGBDMO Cc1noc(C[N@H+](CCc2ccccc2)C2CC2)c1[N+](=O)[O-] ZINC000851738750 632480101 /nfs/dbraw/zinc/48/01/01/632480101.db2.gz QJVRSLDPZLYCTC-UHFFFAOYSA-N 1 1 301.346 3.098 20 5 DGBDMO Cc1noc(C[N@@H+](CCc2ccccc2)C2CC2)c1[N+](=O)[O-] ZINC000851738750 632480106 /nfs/dbraw/zinc/48/01/06/632480106.db2.gz QJVRSLDPZLYCTC-UHFFFAOYSA-N 1 1 301.346 3.098 20 5 DGBDMO O=[N+]([O-])c1cc(F)ccc1C[N@H+]1CC[C@H](c2ccccn2)C1 ZINC000852009379 632538375 /nfs/dbraw/zinc/53/83/75/632538375.db2.gz IEWPODVWAQGMOM-LBPRGKRZSA-N 1 1 301.321 3.118 20 5 DGBDMO O=[N+]([O-])c1ccc([C@@H]2CCC[N@@H+](CCOC(F)F)C2)cc1 ZINC000852134204 632561546 /nfs/dbraw/zinc/56/15/46/632561546.db2.gz AUMHCSJVHFLVFF-GFCCVEGCSA-N 1 1 300.305 3.013 20 5 DGBDMO C[C@H](CO)[C@H]1CCCC[N@H+]1Cc1ccc(Cl)c([N+](=O)[O-])c1 ZINC000852425284 632602556 /nfs/dbraw/zinc/60/25/56/632602556.db2.gz JEQNUEKDWTYHBE-BXUZGUMPSA-N 1 1 312.797 3.231 20 5 DGBDMO C[C@H](C(=O)Nc1ccccc1[N+](=O)[O-])[N@H+]1CCC2(CCCC2)C1 ZINC000173820155 659402127 /nfs/dbraw/zinc/40/21/27/659402127.db2.gz AHNAHZQEYYXDIE-CYBMUJFWSA-N 1 1 317.389 3.188 20 5 DGBDMO CC(=O)NCCCCC[N@@H+](Cc1ccc([N+](=O)[O-])cc1)C(C)C ZINC000929337573 660610803 /nfs/dbraw/zinc/61/08/03/660610803.db2.gz HLCVYYUXDUNDMI-UHFFFAOYSA-N 1 1 321.421 3.112 20 5 DGBDMO O=[N+]([O-])c1ccc(Cl)cc1C[N@@H+]1CCCCC[C@H]1CCO ZINC000792928459 660994918 /nfs/dbraw/zinc/99/49/18/660994918.db2.gz UBACBDQQGNUOTG-AWEZNQCLSA-N 1 1 312.797 3.375 20 5 DGBDMO CCC(CC)[N@@H+](Cn1c(=O)oc2cccc([N+](=O)[O-])c21)C1CC1 ZINC000794621868 661094560 /nfs/dbraw/zinc/09/45/60/661094560.db2.gz WBBCIUJVMWJXBA-UHFFFAOYSA-N 1 1 319.361 3.113 20 5 DGBDMO C[C@@]1(c2ccccc2)CCC[N@@H+](Cn2cc([N+](=O)[O-])cn2)CC1 ZINC000795670501 661166853 /nfs/dbraw/zinc/16/68/53/661166853.db2.gz IOZLXKOPMSIANB-QGZVFWFLSA-N 1 1 314.389 3.193 20 5 DGBDMO O=[N+]([O-])c1ccnn1C[N@H+]1C[C@H](c2ccccc2)[C@H]2CCC[C@H]21 ZINC000795678530 661167237 /nfs/dbraw/zinc/16/72/37/661167237.db2.gz FMOHHMGYVFMMDC-BZUAXINKSA-N 1 1 312.373 3.017 20 5 DGBDMO C[C@@H]1CC[C@@H](c2ccccc2)[N@H+](Cn2nccc2[N+](=O)[O-])C1 ZINC000795706888 661168975 /nfs/dbraw/zinc/16/89/75/661168975.db2.gz UNSLVDWFSQLMTD-HIFRSBDPSA-N 1 1 300.362 3.222 20 5 DGBDMO C[C@@H]1CC[C@@H](c2ccccc2)[N@@H+](Cn2nccc2[N+](=O)[O-])C1 ZINC000795706888 661168977 /nfs/dbraw/zinc/16/89/77/661168977.db2.gz UNSLVDWFSQLMTD-HIFRSBDPSA-N 1 1 300.362 3.222 20 5 DGBDMO C[C@@H]1CC[C@H](c2ccccc2)[N@H+](Cn2nccc2[N+](=O)[O-])C1 ZINC000795706891 661169080 /nfs/dbraw/zinc/16/90/80/661169080.db2.gz UNSLVDWFSQLMTD-UKRRQHHQSA-N 1 1 300.362 3.222 20 5 DGBDMO C[C@@H]1CC[C@H](c2ccccc2)[N@@H+](Cn2nccc2[N+](=O)[O-])C1 ZINC000795706891 661169081 /nfs/dbraw/zinc/16/90/81/661169081.db2.gz UNSLVDWFSQLMTD-UKRRQHHQSA-N 1 1 300.362 3.222 20 5 DGBDMO CC(C)[N@H+]1CC[C@H](CNCc2ccc(Cl)cc2[N+](=O)[O-])C1 ZINC000050444026 655659025 /nfs/dbraw/zinc/65/90/25/655659025.db2.gz SNMLGVMFVSKPLZ-GFCCVEGCSA-N 1 1 311.813 3.068 20 5 DGBDMO CCc1[nH+]c(C)cn1Cc1ccc(Br)c([N+](=O)[O-])c1 ZINC000715115881 661208506 /nfs/dbraw/zinc/20/85/06/661208506.db2.gz QZHGWWNWIVIWCF-UHFFFAOYSA-N 1 1 324.178 3.473 20 5 DGBDMO CCCC[N@@H+](C)[C@@H](C)C(=O)Nc1cc([N+](=O)[O-])ccc1Cl ZINC000023991693 656051853 /nfs/dbraw/zinc/05/18/53/656051853.db2.gz CGEKOTGQOVKLDB-JTQLQIEISA-N 1 1 313.785 3.307 20 5 DGBDMO C[C@H]1Cc2ccccc2C[N@H+]1C[C@H](O)c1cccc([N+](=O)[O-])c1 ZINC000178864224 657092758 /nfs/dbraw/zinc/09/27/58/657092758.db2.gz ZEYUEXYHZJSUCS-UGSOOPFHSA-N 1 1 312.369 3.075 20 5 DGBDMO O=[N+]([O-])c1ccnn1C[NH+]1CCC(CCc2ccccc2)CC1 ZINC000097444371 657639590 /nfs/dbraw/zinc/63/95/90/657639590.db2.gz YLGFRZBENCYHNN-UHFFFAOYSA-N 1 1 314.389 3.094 20 5 DGBDMO CC[N@@H+](Cn1cnc(-c2cccc([N+](=O)[O-])c2)n1)C1CCCC1 ZINC000054521061 658439606 /nfs/dbraw/zinc/43/96/06/658439606.db2.gz APZKVFQENYOAKF-UHFFFAOYSA-N 1 1 315.377 3.075 20 5 DGBDMO CC[N@@H+](Cn1cnc(-c2ccc([N+](=O)[O-])cc2)n1)C1CCCC1 ZINC000054521050 658440025 /nfs/dbraw/zinc/44/00/25/658440025.db2.gz RALCVLUUAYOUSP-UHFFFAOYSA-N 1 1 315.377 3.075 20 5 DGBDMO CC[C@@H](c1ccccc1)[C@H]1CCC[N@H+]1Cn1cc([N+](=O)[O-])cn1 ZINC000058539307 659086230 /nfs/dbraw/zinc/08/62/30/659086230.db2.gz SEHWHNPABPDDCT-DLBZAZTESA-N 1 1 314.389 3.407 20 5 DGBDMO COc1ccc(C[NH2+]Cc2cc(Cl)ccc2[N+](=O)[O-])cc1O ZINC000172672094 659348793 /nfs/dbraw/zinc/34/87/93/659348793.db2.gz SAQPTOXFOSNTFW-UHFFFAOYSA-N 1 1 322.748 3.252 20 5 DGBDMO Cc1nc(C)c(C[N@H+](Cc2ccc([N+](=O)[O-])cc2)C(C)C)[nH]1 ZINC000929338295 661298561 /nfs/dbraw/zinc/29/85/61/661298561.db2.gz SNQLQBFNXHKGMP-UHFFFAOYSA-N 1 1 302.378 3.345 20 5 DGBDMO Cc1nc(C)c(C[N@@H+](Cc2ccc([N+](=O)[O-])cc2)C(C)C)[nH]1 ZINC000929338295 661298564 /nfs/dbraw/zinc/29/85/64/661298564.db2.gz SNQLQBFNXHKGMP-UHFFFAOYSA-N 1 1 302.378 3.345 20 5 DGBDMO C[C@@H](c1ncccn1)[N@@H+]1CCC[C@H](c2ccc([N+](=O)[O-])cc2)C1 ZINC000930637139 661417458 /nfs/dbraw/zinc/41/74/58/661417458.db2.gz KDBSUMHSYBCPEW-ZFWWWQNUSA-N 1 1 312.373 3.325 20 5 DGBDMO C[C@@H](c1ncccn1)[N@H+]1CCC[C@H](c2ccc([N+](=O)[O-])cc2)C1 ZINC000930637139 661417460 /nfs/dbraw/zinc/41/74/60/661417460.db2.gz KDBSUMHSYBCPEW-ZFWWWQNUSA-N 1 1 312.373 3.325 20 5 DGBDMO C[C@H](c1ccccc1)[C@@H]1CCC[N@H+]1Cc1cn(C)nc1[N+](=O)[O-] ZINC000932275372 661555833 /nfs/dbraw/zinc/55/58/33/661555833.db2.gz OXOFTKJHZBHBOP-CJNGLKHVSA-N 1 1 314.389 3.096 20 5 DGBDMO C[C@H](c1ccccc1)[C@H]1CCC[N@H+]1CCn1ccc([N+](=O)[O-])n1 ZINC000932277844 661556002 /nfs/dbraw/zinc/55/60/02/661556002.db2.gz LEPSFQHXNYFHMK-GDBMZVCRSA-N 1 1 314.389 3.059 20 5 DGBDMO O=[N+]([O-])c1cc(C[NH+]2CCC(O)(C3CCC3)CC2)ccc1Cl ZINC000932819133 661598951 /nfs/dbraw/zinc/59/89/51/661598951.db2.gz UWLKSWRFWHWSQJ-UHFFFAOYSA-N 1 1 324.808 3.375 20 5 DGBDMO O=[N+]([O-])c1ccc(C[N@H+]2CCC[C@@H](C3CCOCC3)C2)c(F)c1 ZINC000933076864 661616018 /nfs/dbraw/zinc/61/60/18/661616018.db2.gz CFNSJHTXZINJAB-CQSZACIVSA-N 1 1 322.380 3.373 20 5 DGBDMO O=[N+]([O-])c1cccc(C[N@H+]2CC[C@@H](Cc3nccs3)C2)c1 ZINC000934333584 661697941 /nfs/dbraw/zinc/69/79/41/661697941.db2.gz KVMZAMISLBNJGH-ZDUSSCGKSA-N 1 1 303.387 3.116 20 5 DGBDMO O=[N+]([O-])c1cccc(C[N@H+]2CCCC[C@H]([C@@H]3CCOC3)C2)c1 ZINC000934840115 661740272 /nfs/dbraw/zinc/74/02/72/661740272.db2.gz BDFLCVKNRKTUFP-JKSUJKDBSA-N 1 1 304.390 3.233 20 5 DGBDMO O=[N+]([O-])c1ccc(F)cc1C[N@H+]1CCCC[C@H]([C@@H]2CCOC2)C1 ZINC000934840907 661740451 /nfs/dbraw/zinc/74/04/51/661740451.db2.gz GKCDHDNRCXKIHR-UONOGXRCSA-N 1 1 322.380 3.373 20 5 DGBDMO Cc1ccc([N+](=O)[O-])c(C)c1NC(=O)[C@@H]1CCC[N@@H+]1C(C)C ZINC000936033155 661827566 /nfs/dbraw/zinc/82/75/66/661827566.db2.gz LADKTRFFIYJGFO-AWEZNQCLSA-N 1 1 305.378 3.023 20 5 DGBDMO C[C@@H](C1CC1)[N@@H+](Cc1ccccc1)Cn1cc([N+](=O)[O-])cn1 ZINC000077435607 662026012 /nfs/dbraw/zinc/02/60/12/662026012.db2.gz GZUCARZXZBINEN-ZDUSSCGKSA-N 1 1 300.362 3.050 20 5 DGBDMO C[C@@H](C1CC1)[N@H+](Cc1ccccc1)Cn1cc([N+](=O)[O-])cn1 ZINC000077435607 662026015 /nfs/dbraw/zinc/02/60/15/662026015.db2.gz GZUCARZXZBINEN-ZDUSSCGKSA-N 1 1 300.362 3.050 20 5 DGBDMO Cc1nn(C[N@H+]2CCS[C@@H](C)[C@H]2C)c2cc([N+](=O)[O-])ccc12 ZINC000245905237 662243910 /nfs/dbraw/zinc/24/39/10/662243910.db2.gz QQBYCGXRJYUVTA-NEPJUHHUSA-N 1 1 320.418 3.036 20 5 DGBDMO Cc1nn(C[N@@H+]2CCS[C@@H](C)[C@H]2C)c2cc([N+](=O)[O-])ccc12 ZINC000245905237 662243912 /nfs/dbraw/zinc/24/39/12/662243912.db2.gz QQBYCGXRJYUVTA-NEPJUHHUSA-N 1 1 320.418 3.036 20 5 DGBDMO O=[N+]([O-])c1cccc([C@H](O)C[N@H+]2CCC[C@@H]3CCCC[C@@H]32)c1 ZINC000246338044 662254522 /nfs/dbraw/zinc/25/45/22/662254522.db2.gz UGUTVPCKGDUYDQ-RRQGHBQHSA-N 1 1 304.390 3.283 20 5 DGBDMO C[C@@H](C[NH2+]Cc1cc([N+](=O)[O-])ccc1Cl)N1CCCCC1 ZINC000038028868 662271157 /nfs/dbraw/zinc/27/11/57/662271157.db2.gz WFVKEQJGAZIXQU-LBPRGKRZSA-N 1 1 311.813 3.212 20 5 DGBDMO C[C@H](C(=O)Nc1cccc([N+](=O)[O-])c1)[N@H+]1CC[C@@H](C)C[C@@H](C)C1 ZINC001620591920 1192021684 /nfs/dbraw/zinc/02/16/84/1192021684.db2.gz UTEJALPBRIJQBZ-MGPQQGTHSA-N 1 1 319.405 3.290 20 5 DGBDMO CCn1cc(C[NH2+]C(C)(C)c2ccccc2[N+](=O)[O-])c(C)n1 ZINC001345092258 1179524957 /nfs/dbraw/zinc/52/49/57/1179524957.db2.gz WJSKUICNSDMIRM-UHFFFAOYSA-N 1 1 302.378 3.145 20 5 DGBDMO COC(=O)c1ccc([N+](=O)[O-])c(C[N@@H+]2CC(C)(C)C2(C)C)c1 ZINC001346116352 1179656815 /nfs/dbraw/zinc/65/68/15/1179656815.db2.gz JPMYKZFUHPVVEA-UHFFFAOYSA-N 1 1 306.362 3.002 20 5 DGBDMO COC(=O)c1ccc([N+](=O)[O-])c(C[N@H+]2CC(C)(C)C2(C)C)c1 ZINC001346116352 1179656818 /nfs/dbraw/zinc/65/68/18/1179656818.db2.gz JPMYKZFUHPVVEA-UHFFFAOYSA-N 1 1 306.362 3.002 20 5 DGBDMO C/C(=C\c1cccc([N+](=O)[O-])c1)C[N@H+]1CCO[C@](C)(C2CC2)C1 ZINC001474626146 1181594936 /nfs/dbraw/zinc/59/49/36/1181594936.db2.gz USTMGEWMLMCCKQ-MDNBWPLSSA-N 1 1 316.401 3.499 20 5 DGBDMO C[C@@H](NCc1csc([N+](=O)[O-])c1)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC001459936323 1182630647 /nfs/dbraw/zinc/63/06/47/1182630647.db2.gz NTCWWPLCORAMMX-TZMCWYRMSA-N 1 1 323.462 3.399 20 5 DGBDMO CC[C@@H]1CC[C@H](C)[N@@H+](Cc2cc(C(=O)OC)ccc2[N+](=O)[O-])C1 ZINC001460097911 1182651008 /nfs/dbraw/zinc/65/10/08/1182651008.db2.gz IXZKGYHRAAVRGO-QWHCGFSZSA-N 1 1 320.389 3.392 20 5 DGBDMO COc1ccc(C[N@H+]2C[C@@H]3C[C@]3(c3ccccc3)C2)cc1[N+](=O)[O-] ZINC001460766423 1182719278 /nfs/dbraw/zinc/71/92/78/1182719278.db2.gz ZMTPAXZHJFBIIH-QFBILLFUSA-N 1 1 324.380 3.377 20 5 DGBDMO Cc1ccc([N+](=O)[O-])c(C)c1C[N@H+]1CCOC[C@H]1CC(C)C ZINC001461975624 1182890520 /nfs/dbraw/zinc/89/05/20/1182890520.db2.gz JDHOVVPFWNJKRE-OAHLLOKOSA-N 1 1 306.406 3.459 20 5 DGBDMO Cc1ccc([N+](=O)[O-])c(C)c1C[N@@H+]1CCOC[C@H]1CC(C)C ZINC001461975624 1182890527 /nfs/dbraw/zinc/89/05/27/1182890527.db2.gz JDHOVVPFWNJKRE-OAHLLOKOSA-N 1 1 306.406 3.459 20 5 DGBDMO CC[N@@H+](Cc1ccc(O)c(OC)c1[N+](=O)[O-])C1CCCCC1 ZINC001462016359 1182895578 /nfs/dbraw/zinc/89/55/78/1182895578.db2.gz HILXPXURCGCJRD-UHFFFAOYSA-N 1 1 308.378 3.464 20 5 DGBDMO COc1c(O)ccc(C[N@@H+](C)C2CCCCCC2)c1[N+](=O)[O-] ZINC001462029288 1182896720 /nfs/dbraw/zinc/89/67/20/1182896720.db2.gz NGMWJBPUOZVMOI-UHFFFAOYSA-N 1 1 308.378 3.464 20 5 DGBDMO Cc1ccc([N+](=O)[O-])c(C)c1C[N@@H+]1C[C@@]2(CCCO2)[C@H]1C1CC1 ZINC001462283057 1182932724 /nfs/dbraw/zinc/93/27/24/1182932724.db2.gz YGNWBMKBTXXXGB-MSOLQXFVSA-N 1 1 316.401 3.355 20 5 DGBDMO Cc1ccc([N+](=O)[O-])c(C)c1C[N@H+]1C[C@@]2(CCCO2)[C@H]1C1CC1 ZINC001462283057 1182932726 /nfs/dbraw/zinc/93/27/26/1182932726.db2.gz YGNWBMKBTXXXGB-MSOLQXFVSA-N 1 1 316.401 3.355 20 5 DGBDMO C[N@H+]1CCCC(C)(C)[C@@H]1CNc1ccc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC001472776467 1183680509 /nfs/dbraw/zinc/68/05/09/1183680509.db2.gz VHHCESHBUITPKV-AWEZNQCLSA-N 1 1 322.365 3.035 20 5 DGBDMO Cc1cc(NC[C@@H]2CC[N@H+]2C2CCCC2)c(F)cc1[N+](=O)[O-] ZINC001472848311 1183689806 /nfs/dbraw/zinc/68/98/06/1183689806.db2.gz ZNCDUECKBWCOCR-ZDUSSCGKSA-N 1 1 307.369 3.471 20 5 DGBDMO Cc1ccc(N2C[C@]34C[N@H+](C)C[C@@]3(C2)CCCC4)c([N+](=O)[O-])c1 ZINC001472903489 1183698645 /nfs/dbraw/zinc/69/86/45/1183698645.db2.gz GEKULCGPQOCVHS-HDICACEKSA-N 1 1 315.417 3.215 20 5 DGBDMO CC[C@H]([NH2+]Cc1cc(C(=O)OC)co1)c1cccc([N+](=O)[O-])c1 ZINC001473332346 1183745409 /nfs/dbraw/zinc/74/54/09/1183745409.db2.gz DEPQKLUCBCUHJQ-HNNXBMFYSA-N 1 1 318.329 3.215 20 5 DGBDMO Cc1ccc(CN2CC[N@H+](C)[C@H](C(C)(C)C)C2)cc1[N+](=O)[O-] ZINC001473600282 1183779837 /nfs/dbraw/zinc/77/98/37/1183779837.db2.gz YNIAXUWZDVZRHM-INIZCTEOSA-N 1 1 305.422 3.065 20 5 DGBDMO CCC[N@@H+](C)CC(C)(C)NCc1ccc(Cl)cc1[N+](=O)[O-] ZINC001473665528 1183787780 /nfs/dbraw/zinc/78/77/80/1183787780.db2.gz GPRNWWZXEAPDJC-UHFFFAOYSA-N 1 1 313.829 3.458 20 5 DGBDMO CCC1(CC)CCC[N@H+]1CC(=O)N(C)c1ccc([N+](=O)[O-])cc1 ZINC001473769601 1183799845 /nfs/dbraw/zinc/79/98/45/1183799845.db2.gz KGMJBVGMDIKFTR-UHFFFAOYSA-N 1 1 319.405 3.212 20 5 DGBDMO O=[N+]([O-])c1cccc(OCC[N@H+]2CCCC[C@H]2[C@@H]2CCCO2)c1 ZINC001473884442 1183819182 /nfs/dbraw/zinc/81/91/82/1183819182.db2.gz IUQBFGJLVIRFDU-IRXDYDNUSA-N 1 1 320.389 3.007 20 5 DGBDMO Cc1c(CNCC[N@H+](C)C2CCCCC2)cccc1[N+](=O)[O-] ZINC001473962259 1183838694 /nfs/dbraw/zinc/83/86/94/1183838694.db2.gz AZUSOUYYTAGGRB-UHFFFAOYSA-N 1 1 305.422 3.257 20 5 DGBDMO Cc1c(C[NH2+]CCN(C)C2CCCCC2)cccc1[N+](=O)[O-] ZINC001473962259 1183838699 /nfs/dbraw/zinc/83/86/99/1183838699.db2.gz AZUSOUYYTAGGRB-UHFFFAOYSA-N 1 1 305.422 3.257 20 5 DGBDMO Cc1ccn2cc(C[NH2+]Cc3ccc(C)c([N+](=O)[O-])c3)nc2c1 ZINC001473988023 1183844741 /nfs/dbraw/zinc/84/47/41/1183844741.db2.gz ZFKFEBOLVVHCQQ-UHFFFAOYSA-N 1 1 310.357 3.149 20 5 DGBDMO CO[C@@](C)(C[N@@H+](Cc1ccccc1[N+](=O)[O-])C1CC1)C1CC1 ZINC001474318269 1183903761 /nfs/dbraw/zinc/90/37/61/1183903761.db2.gz CNSRGDDGMREDQO-KRWDZBQOSA-N 1 1 304.390 3.374 20 5 DGBDMO Cc1ccc([N+](=O)[O-])c(C)c1C[N@@H+](C)C[C@@H]1CCCC[C@H]1O ZINC001474391311 1183914616 /nfs/dbraw/zinc/91/46/16/1183914616.db2.gz LOKGLCSWXMUIEB-WMLDXEAASA-N 1 1 306.406 3.195 20 5 DGBDMO CCC[N@H+]1CC[C@H](CNc2nc3c(cc2[N+](=O)[O-])CCCC3)C1 ZINC001611860912 1193442253 /nfs/dbraw/zinc/44/22/53/1193442253.db2.gz MGHHJZHLAHYPKV-CYBMUJFWSA-N 1 1 318.421 3.012 20 5 DGBDMO O=[N+]([O-])c1ccsc1N1C[C@@H]2C[C@H]1C[N@@H+]2Cc1ccccc1 ZINC001612671880 1193459276 /nfs/dbraw/zinc/45/92/76/1193459276.db2.gz KASVYMSRUYFDCY-KBPBESRZSA-N 1 1 315.398 3.119 20 5 DGBDMO O=[N+]([O-])c1ccsc1N1C[C@@H]2C[C@H]1C[N@H+]2Cc1ccccc1 ZINC001612671880 1193459277 /nfs/dbraw/zinc/45/92/77/1193459277.db2.gz KASVYMSRUYFDCY-KBPBESRZSA-N 1 1 315.398 3.119 20 5 DGBDMO CC1(C)CC[N@@H+](CCNc2ccc([N+](=O)[O-])c3cnccc23)C1 ZINC001613056883 1193466677 /nfs/dbraw/zinc/46/66/77/1193466677.db2.gz OWXYPWWAGCEFHB-UHFFFAOYSA-N 1 1 314.389 3.287 20 5 DGBDMO Cc1cc(Cl)c([N+](=O)[O-])cc1OC(=O)C12CCC[NH+]1CCC2 ZINC001538115931 1188120242 /nfs/dbraw/zinc/12/02/42/1188120242.db2.gz OTZCTPCZBSGWOS-UHFFFAOYSA-N 1 1 324.764 3.090 20 5 DGBDMO CC[C@H]1CC[N@@H+](CCC(=O)Nc2ccccc2[N+](=O)[O-])[C@@H]1C ZINC001617359235 1193566650 /nfs/dbraw/zinc/56/66/50/1193566650.db2.gz FEVDTEWSCULCKM-OLZOCXBDSA-N 1 1 305.378 3.044 20 5 DGBDMO CC(C)[N@H+]1CCCC[C@@H]1CN(C)CCc1cccc([N+](=O)[O-])c1 ZINC001617464583 1193570498 /nfs/dbraw/zinc/57/04/98/1193570498.db2.gz GOKMWIWYBUZWDR-GOSISDBHSA-N 1 1 319.449 3.332 20 5 DGBDMO C[N@@H+](CCc1cccc([N+](=O)[O-])c1)C[C@H]1CC2(CCC2)CO1 ZINC001617465857 1193570641 /nfs/dbraw/zinc/57/06/41/1193570641.db2.gz VAOXBZHQIBBORK-MRXNPFEDSA-N 1 1 304.390 3.028 20 5 DGBDMO Cc1[nH+]c2cc(Nc3ncc([N+](=O)[O-])cc3F)ccc2n1C ZINC001559118196 1189172729 /nfs/dbraw/zinc/17/27/29/1189172729.db2.gz YQUUWNRAWLNVRS-UHFFFAOYSA-N 1 1 301.281 3.068 20 5 DGBDMO CC(C)(C)[N@H+]1CC[C@@H](Nc2ncc([N+](=O)[O-])c3ccccc32)C1 ZINC001559235060 1189184219 /nfs/dbraw/zinc/18/42/19/1189184219.db2.gz VNQUNLXOMNMXIN-GFCCVEGCSA-N 1 1 314.389 3.428 20 5 DGBDMO CC[C@@H]1CC[N@@H+](Cc2cc(C(=O)OC)ccc2[N+](=O)[O-])[C@@H]1C ZINC001559769760 1189240336 /nfs/dbraw/zinc/24/03/36/1189240336.db2.gz SEKDNZHKORNMRI-VXGBXAGGSA-N 1 1 306.362 3.002 20 5 DGBDMO COc1c(O)ccc(C[N@H+]2CCCC3(CCCC3)C2)c1[N+](=O)[O-] ZINC001560765512 1189376624 /nfs/dbraw/zinc/37/66/24/1189376624.db2.gz LKCIZBLXTQEISR-UHFFFAOYSA-N 1 1 320.389 3.465 20 5 DGBDMO C[C@H](CCc1ccccc1[N+](=O)[O-])[NH2+]C[C@@H]1CCC(C)(C)CN1 ZINC001575967111 1191521472 /nfs/dbraw/zinc/52/14/72/1191521472.db2.gz VAWZUILTZOWFLR-ZBFHGGJFSA-N 1 1 319.449 3.284 20 5 DGBDMO CC1(C)[C@H](N)C[C@@H]1[NH2+][C@H]1CCC[C@H]1Cc1ccccc1[N+](=O)[O-] ZINC001576384103 1191577388 /nfs/dbraw/zinc/57/73/88/1191577388.db2.gz UAAIWXQKOBVLCZ-SDNTUTLCSA-N 1 1 317.433 3.021 20 5 DGBDMO Cc1ccc(C[N@H+]2C[C@@H](C)OC3(CCCC3)C2)cc1[N+](=O)[O-] ZINC001619744525 1193760877 /nfs/dbraw/zinc/76/08/77/1193760877.db2.gz KPNRXLXALXYVMJ-CQSZACIVSA-N 1 1 304.390 3.437 20 5 DGBDMO Cc1ccc(C[N@@H+]2C[C@@H](C)OC3(CCCC3)C2)cc1[N+](=O)[O-] ZINC001619744525 1193760880 /nfs/dbraw/zinc/76/08/80/1193760880.db2.gz KPNRXLXALXYVMJ-CQSZACIVSA-N 1 1 304.390 3.437 20 5 DGBDMO O=[N+]([O-])c1cccc([C@@H](O)C[N@H+]2CC=CC23CCCCC3)c1 ZINC001620681229 1193790112 /nfs/dbraw/zinc/79/01/12/1193790112.db2.gz FXWNIQKNHMPYBK-INIZCTEOSA-N 1 1 302.374 3.203 20 5 DGBDMO C[C@H]([NH2+]Cc1cc2c(cc[nH]c2=O)o1)c1cccc([N+](=O)[O-])c1 ZINC001620728300 1193795221 /nfs/dbraw/zinc/79/52/21/1193795221.db2.gz LFXRUJXVKHGVTR-JTQLQIEISA-N 1 1 313.313 3.292 20 5 DGBDMO O=[N+]([O-])c1ccc(C[NH2+]Cc2cnc(-c3ccccc3)[nH]2)cc1 ZINC001620737113 1193796562 /nfs/dbraw/zinc/79/65/62/1193796562.db2.gz UUDCFFMQKBADDK-UHFFFAOYSA-N 1 1 308.341 3.275 20 5 DGBDMO CC[C@@H](NC(=O)C[N@@H+](C)CC(C)(C)C)c1cccc([N+](=O)[O-])c1 ZINC001623189442 1193921712 /nfs/dbraw/zinc/92/17/12/1193921712.db2.gz IPGACNDQKJHKOI-OAHLLOKOSA-N 1 1 321.421 3.140 20 5 DGBDMO CCCC[N@@H+](C)CCNc1ncc([N+](=O)[O-])c2ccccc21 ZINC001639453371 1194767192 /nfs/dbraw/zinc/76/71/92/1194767192.db2.gz FHBVGZRAEPBAMY-UHFFFAOYSA-N 1 1 302.378 3.287 20 5 DGBDMO COCC[N@@H+](CCOc1cccc([N+](=O)[O-])c1)[C@@H]1CC[C@@H](C)C1 ZINC001642938078 1194955349 /nfs/dbraw/zinc/95/53/49/1194955349.db2.gz JQMXIGPSKMEOAF-HUUCEWRRSA-N 1 1 322.405 3.111 20 5 DGBDMO CN(C)c1cc[nH+]c(CNc2ccc(Cl)cc2[N+](=O)[O-])c1 ZINC001643191186 1195001845 /nfs/dbraw/zinc/00/18/45/1195001845.db2.gz ZTBXMVGXHXVPOS-UHFFFAOYSA-N 1 1 306.753 3.321 20 5 DGBDMO CC(C)(C)OC[C@@H]1CCC[N@H+]1CCc1ccc([N+](=O)[O-])cc1 ZINC001644444311 1195108590 /nfs/dbraw/zinc/10/85/90/1195108590.db2.gz ZPEDBWHATRWOQB-INIZCTEOSA-N 1 1 306.406 3.417 20 5 DGBDMO CCCCO[C@H]1C[C@@H]([N@H+](C)Cc2cccnc2[N+](=O)[O-])C1(C)C ZINC001644890580 1195140565 /nfs/dbraw/zinc/14/05/65/1195140565.db2.gz JLBQEORXQREVRF-CABCVRRESA-N 1 1 321.421 3.405 20 5 DGBDMO CCCCO[C@H]1C[C@@H]([N@@H+](C)Cc2cccnc2[N+](=O)[O-])C1(C)C ZINC001644890580 1195140566 /nfs/dbraw/zinc/14/05/66/1195140566.db2.gz JLBQEORXQREVRF-CABCVRRESA-N 1 1 321.421 3.405 20 5 DGBDMO C[C@@H]1CN(Cc2ccc([N+](=O)[O-])cc2F)CC[N@H+]1C1CCCC1 ZINC001648327079 1195292383 /nfs/dbraw/zinc/29/23/83/1195292383.db2.gz ADIIEZLTEAFEGZ-CYBMUJFWSA-N 1 1 321.396 3.183 20 5 DGBDMO Cc1ccc([N+](=O)[O-])cc1[C@H](C)[N@H+]1CC[C@H](c2cnccn2)C1 ZINC001648442327 1195301183 /nfs/dbraw/zinc/30/11/83/1195301183.db2.gz GYZCFGVNLXOQRP-KBPBESRZSA-N 1 1 312.373 3.244 20 5 DGBDMO CCCC[N@@H+](C)C[C@@H](C)Nc1nc2c(cc1[N+](=O)[O-])CCCC2 ZINC001651114555 1195416300 /nfs/dbraw/zinc/41/63/00/1195416300.db2.gz UKMNPSALRFKURI-CYBMUJFWSA-N 1 1 320.437 3.401 20 5 DGBDMO O=[N+]([O-])c1ccsc1N[C@@H]1[C@H]2C[N@@H+](Cc3ccccc3)C[C@H]21 ZINC001651413687 1195456679 /nfs/dbraw/zinc/45/66/79/1195456679.db2.gz LZFYPESGXFHSRE-NHAGDIPZSA-N 1 1 315.398 3.199 20 5 DGBDMO C[C@H]1CCC[C@H](C)[N@@H+](CCC(=O)Nc2ccc([N+](=O)[O-])cc2)C1 ZINC001652526041 1195612144 /nfs/dbraw/zinc/61/21/44/1195612144.db2.gz FHPIEKFVJODWOV-KBPBESRZSA-N 1 1 319.405 3.434 20 5 DGBDMO O=[N+]([O-])c1ccc(CNCc2ccc3c[nH+]cn3c2)cc1Cl ZINC001652634720 1195630126 /nfs/dbraw/zinc/63/01/26/1195630126.db2.gz AZODFMOMJDLWRK-UHFFFAOYSA-N 1 1 316.748 3.186 20 5 DGBDMO C/C(=C\c1cccc([N+](=O)[O-])c1)C[N@H+]1CC(C)(C)[C@H]2COC[C@H]21 ZINC001652654604 1195633086 /nfs/dbraw/zinc/63/30/86/1195633086.db2.gz MQJCLIFMTZJUAY-RVDBLKIQSA-N 1 1 316.401 3.355 20 5 DGBDMO Cc1ncc([N+](=O)[O-])n1CC[N@H+](C)Cc1cccc2ccccc21 ZINC001653166255 1195694683 /nfs/dbraw/zinc/69/46/83/1195694683.db2.gz GVAFYARJOCLQBB-UHFFFAOYSA-N 1 1 324.384 3.385 20 5 DGBDMO O=[N+]([O-])CC[N@H+](Cc1ccccc1C(F)(F)F)CC1CC1 ZINC001653577423 1195736214 /nfs/dbraw/zinc/73/62/14/1195736214.db2.gz CADWJBVPFKROMY-UHFFFAOYSA-N 1 1 302.296 3.194 20 5 DGBDMO C[N@@H+](CCn1ccc([N+](=O)[O-])n1)C1CC(C)(C)CC(C)(C)C1 ZINC001654181008 1195781859 /nfs/dbraw/zinc/78/18/59/1195781859.db2.gz CKBIPVIIBFLOOZ-UHFFFAOYSA-N 1 1 308.426 3.328 20 5 DGBDMO O=[N+]([O-])c1ccc(C[N@@H+]2CCC=C(c3cccnc3)C2)cc1F ZINC001654605560 1195822980 /nfs/dbraw/zinc/82/29/80/1195822980.db2.gz NSKURJYKADJIPI-UHFFFAOYSA-N 1 1 313.332 3.418 20 5 DGBDMO O=[N+]([O-])c1ccc(C[N@H+]2CCC=C(c3cccnc3)C2)cc1F ZINC001654605560 1195822982 /nfs/dbraw/zinc/82/29/82/1195822982.db2.gz NSKURJYKADJIPI-UHFFFAOYSA-N 1 1 313.332 3.418 20 5 DGBDMO CC(C)(C)[C@@H]1CSCC[N@H+]1CCOc1ccc([N+](=O)[O-])cc1 ZINC001654630718 1195824928 /nfs/dbraw/zinc/82/49/28/1195824928.db2.gz XFRUSRQVXRNZJF-HNNXBMFYSA-N 1 1 324.446 3.437 20 5 DGBDMO COC(=O)c1ccc([N+](=O)[O-])c(C[N@@H+](C)C[C@H](C)C(C)(C)C)c1 ZINC001654730403 1195833506 /nfs/dbraw/zinc/83/35/06/1195833506.db2.gz NANDQLFRDDFHAP-LBPRGKRZSA-N 1 1 322.405 3.495 20 5 DGBDMO Cc1cc(N2CC[NH+](Cc3ccccc3)CC2)c([N+](=O)[O-])s1 ZINC001654891085 1195850846 /nfs/dbraw/zinc/85/08/46/1195850846.db2.gz SKYAKCPMEIRJPV-UHFFFAOYSA-N 1 1 317.414 3.287 20 5 DGBDMO Cc1[nH+]c2cc(Nc3c(Cl)cncc3[N+](=O)[O-])ccc2n1C ZINC001655185951 1195888080 /nfs/dbraw/zinc/88/80/80/1195888080.db2.gz VRTRBMKHYKXHTL-UHFFFAOYSA-N 1 1 317.736 3.004 20 5 DGBDMO O=[N+]([O-])c1ccc(NC[C@@H]2CC[N@H+]2C2CCCCCC2)nc1 ZINC001655775311 1195961529 /nfs/dbraw/zinc/96/15/29/1195961529.db2.gz GSFDXSMMSQIFAB-AWEZNQCLSA-N 1 1 304.394 3.199 20 5 DGBDMO CCC[C@H]1CCC[N@H+]1CC(=O)Nc1c(C)cccc1[N+](=O)[O-] ZINC001655799803 1195964020 /nfs/dbraw/zinc/96/40/20/1195964020.db2.gz NGVLBDFMONFNSR-ZDUSSCGKSA-N 1 1 305.378 3.106 20 5 DGBDMO O=[N+]([O-])c1ccc(Cl)c(C[NH2+]Cc2cccc3c[nH]nc32)c1 ZINC001655912088 1195976723 /nfs/dbraw/zinc/97/67/23/1195976723.db2.gz MKZCBFCNEONQLT-UHFFFAOYSA-N 1 1 316.748 3.414 20 5 DGBDMO C[N@H+]1C[C@@]23CN(c4ccc([N+](=O)[O-])cc4F)C[C@]2(C1)CCCC3 ZINC001655955560 1195982743 /nfs/dbraw/zinc/98/27/43/1195982743.db2.gz NEOKCOYTZSLHEK-CALCHBBNSA-N 1 1 319.380 3.046 20 5 DGBDMO CC[N@@H+](C)[C@H]1CCN(c2c(Cl)c(Cl)ccc2[N+](=O)[O-])C1 ZINC001655961221 1195983386 /nfs/dbraw/zinc/98/33/86/1195983386.db2.gz BPKFWMKSGJFPJH-VIFPVBQESA-N 1 1 318.204 3.432 20 5 DGBDMO Cc1ccc(C[NH2+]Cc2nccn2-c2ccccc2)cc1[N+](=O)[O-] ZINC001656808231 1196072788 /nfs/dbraw/zinc/07/27/88/1196072788.db2.gz RFYZTJKYXUEJKO-UHFFFAOYSA-N 1 1 322.368 3.379 20 5 DGBDMO C[N@@H+](CCc1cccc([N+](=O)[O-])c1)Cc1ccc2nccnc2c1 ZINC001657882270 1196190935 /nfs/dbraw/zinc/19/09/35/1196190935.db2.gz MFCFMHCUUCVVMN-UHFFFAOYSA-N 1 1 322.368 3.213 20 5 DGBDMO COc1ccc(OCC[N@H+]2C[C@H](C)CC(C)(C)C2)c([N+](=O)[O-])c1 ZINC001657911579 1196193256 /nfs/dbraw/zinc/19/32/56/1196193256.db2.gz BRQQJMLALKQZDN-CYBMUJFWSA-N 1 1 322.405 3.350 20 5 DGBDMO COc1c(O)ccc(C[N@H+]2CC[C@@H](C)C3(CCC3)C2)c1[N+](=O)[O-] ZINC001658796019 1196302653 /nfs/dbraw/zinc/30/26/53/1196302653.db2.gz XNYVYUXLQHIILP-GFCCVEGCSA-N 1 1 320.389 3.321 20 5 DGBDMO O=[N+]([O-])c1ccccc1OCC[N@H+]1CC[C@H](C2CCCC2)C1 ZINC001659076293 1196341924 /nfs/dbraw/zinc/34/19/24/1196341924.db2.gz FPKLCTQFAUXBDZ-HNNXBMFYSA-N 1 1 304.390 3.486 20 5 DGBDMO COc1c(O)ccc(C[N@H+]2C[C@H](C)CCC[C@@H]2C)c1[N+](=O)[O-] ZINC001659104070 1196345162 /nfs/dbraw/zinc/34/51/62/1196345162.db2.gz KUXHZMKXZZOJFF-NEPJUHHUSA-N 1 1 308.378 3.320 20 5 DGBDMO Cc1ccc([N+](=O)[O-])c(C)c1C[N@H+]1CC[C@@H](C(C)(C)C)[C@H](O)C1 ZINC001659266276 1196365537 /nfs/dbraw/zinc/36/55/37/1196365537.db2.gz VGIYIEYUEBTTOH-NVXWUHKLSA-N 1 1 320.433 3.441 20 5 DGBDMO Cc1ccc([N+](=O)[O-])c(C)c1C[N@H+]1C[C@@H](C)OC2(CCC2)C1 ZINC001659581234 1196397406 /nfs/dbraw/zinc/39/74/06/1196397406.db2.gz GKFALVIMXLMZCX-CYBMUJFWSA-N 1 1 304.390 3.355 20 5 DGBDMO Cc1ccc([N+](=O)[O-])c(C)c1C[N@@H+]1C[C@@H](C)OC2(CCC2)C1 ZINC001659581234 1196397407 /nfs/dbraw/zinc/39/74/07/1196397407.db2.gz GKFALVIMXLMZCX-CYBMUJFWSA-N 1 1 304.390 3.355 20 5 DGBDMO O=[N+]([O-])c1ccc(C[N@H+]2CCCC[C@@]23CCCOC3)cc1F ZINC001660700385 1196513624 /nfs/dbraw/zinc/51/36/24/1196513624.db2.gz HVWMEWVPFNEKDB-INIZCTEOSA-N 1 1 308.353 3.269 20 5 DGBDMO CC(C)c1ccc(CNCC[N@H+]2CCC[C@H]2C)cc1[N+](=O)[O-] ZINC001661615955 1196624896 /nfs/dbraw/zinc/62/48/96/1196624896.db2.gz ICPAIIODTWFIMG-CQSZACIVSA-N 1 1 305.422 3.292 20 5 DGBDMO CC(C)c1ccc(C[NH2+]CCN2CCC[C@H]2C)cc1[N+](=O)[O-] ZINC001661615955 1196624897 /nfs/dbraw/zinc/62/48/97/1196624897.db2.gz ICPAIIODTWFIMG-CQSZACIVSA-N 1 1 305.422 3.292 20 5 DGBDMO Cc1ccc(C[NH2+]Cc2cc(F)cnc2Cl)cc1[N+](=O)[O-] ZINC001662552242 1196729784 /nfs/dbraw/zinc/72/97/84/1196729784.db2.gz QKHGPPSIOXTIHG-UHFFFAOYSA-N 1 1 309.728 3.381 20 5 DGBDMO CC[NH+]1CC[C@@H]([N@H+](C)Cc2c(C)ccc([N+](=O)[O-])c2C)[C@@H](C)C1 ZINC001663596024 1196910373 /nfs/dbraw/zinc/91/03/73/1196910373.db2.gz VUEPURWVOCGLFI-WMLDXEAASA-N 1 1 319.449 3.374 20 5 DGBDMO CC[NH+]1CC[C@@H]([N@@H+](C)Cc2c(C)ccc([N+](=O)[O-])c2C)[C@@H](C)C1 ZINC001663596024 1196910377 /nfs/dbraw/zinc/91/03/77/1196910377.db2.gz VUEPURWVOCGLFI-WMLDXEAASA-N 1 1 319.449 3.374 20 5 DGBDMO CCN1CC[C@@H]([N@H+](C)Cc2c(C)ccc([N+](=O)[O-])c2C)[C@@H](C)C1 ZINC001663596024 1196910383 /nfs/dbraw/zinc/91/03/83/1196910383.db2.gz VUEPURWVOCGLFI-WMLDXEAASA-N 1 1 319.449 3.374 20 5 DGBDMO CCN1CC[C@@H]([N@@H+](C)Cc2c(C)ccc([N+](=O)[O-])c2C)[C@@H](C)C1 ZINC001663596024 1196910386 /nfs/dbraw/zinc/91/03/86/1196910386.db2.gz VUEPURWVOCGLFI-WMLDXEAASA-N 1 1 319.449 3.374 20 5 DGBDMO CC[C@@H]1CC[C@H](C)[N@@H+](Cc2ccc(O)c(OC)c2[N+](=O)[O-])C1 ZINC001181764947 1083534516 /nfs/dbraw/zinc/53/45/16/1083534516.db2.gz RVKGROUTOYZABM-NWDGAFQWSA-N 1 1 308.378 3.320 20 5 DGBDMO Cc1[nH+]c(N)ccc1CNc1nccc2c1cccc2[N+](=O)[O-] ZINC001167782205 1083851042 /nfs/dbraw/zinc/85/10/42/1083851042.db2.gz SATURNVUOUFVAK-UHFFFAOYSA-N 1 1 309.329 3.041 20 5 DGBDMO O=[N+]([O-])c1ccc2oc(C[NH+]3CC(c4ccccc4)C3)nc2c1 ZINC001183291351 1083917323 /nfs/dbraw/zinc/91/73/23/1083917323.db2.gz FGLIKYGJPJXDLV-UHFFFAOYSA-N 1 1 309.325 3.335 20 5 DGBDMO CC[N@@H+](CCNc1ncc([N+](=O)[O-])c2ccccc21)C1CC1 ZINC001185181027 1084369833 /nfs/dbraw/zinc/36/98/33/1084369833.db2.gz UJAYIPFKVDDJBM-UHFFFAOYSA-N 1 1 300.362 3.039 20 5 DGBDMO C[N@H+]1CCCC[C@H](CNc2nc3c(cc2[N+](=O)[O-])CCCC3)C1 ZINC001187044772 1084746121 /nfs/dbraw/zinc/74/61/21/1084746121.db2.gz OPKNLMSJAFDQRS-CYBMUJFWSA-N 1 1 318.421 3.012 20 5 DGBDMO CCOc1cc(N2CC[N@@H+](C)[C@@H](C(C)(C)C)C2)ccc1[N+](=O)[O-] ZINC001187446039 1084803663 /nfs/dbraw/zinc/80/36/63/1084803663.db2.gz UJTSKSVDCMHQTL-MRXNPFEDSA-N 1 1 321.421 3.160 20 5 DGBDMO CC(C)[NH+]1CC(Nc2ccc(C(F)(F)F)c([N+](=O)[O-])c2)C1 ZINC001168315411 1087291989 /nfs/dbraw/zinc/29/19/89/1087291989.db2.gz NODWHSDOKQOQFP-UHFFFAOYSA-N 1 1 303.284 3.118 20 5 DGBDMO C[N@H+]1CCC[C@@H](CCNc2ccc3cccc([N+](=O)[O-])c3n2)C1 ZINC001156377737 1089495889 /nfs/dbraw/zinc/49/58/89/1089495889.db2.gz CNBKGFQISHHCFZ-ZDUSSCGKSA-N 1 1 314.389 3.287 20 5 DGBDMO C[N@H+]1CCC[C@@](C)(Nc2nc(Cl)cc(Cl)c2[N+](=O)[O-])C1 ZINC001162341143 1089684114 /nfs/dbraw/zinc/68/41/14/1089684114.db2.gz IZNCNFVTZLIBNN-GFCCVEGCSA-N 1 1 319.192 3.193 20 5 DGBDMO C[N@@H+]1CCc2c(N[C@@H]3CCCC[C@H]3F)ccc([N+](=O)[O-])c2C1 ZINC001162514205 1089766565 /nfs/dbraw/zinc/76/65/65/1089766565.db2.gz SBRCRNKWVUROGS-UKRRQHHQSA-N 1 1 307.369 3.275 20 5 DGBDMO C[N@H+]1CCc2c(N[C@@H]3CCCC[C@H]3F)ccc([N+](=O)[O-])c2C1 ZINC001162514205 1089766580 /nfs/dbraw/zinc/76/65/80/1089766580.db2.gz SBRCRNKWVUROGS-UKRRQHHQSA-N 1 1 307.369 3.275 20 5 DGBDMO Cc1[nH+]c(N)ccc1CNc1ccc2ccc([N+](=O)[O-])cc2n1 ZINC001156974744 1089770348 /nfs/dbraw/zinc/77/03/48/1089770348.db2.gz SMZFPBFNNHHIEZ-UHFFFAOYSA-N 1 1 309.329 3.041 20 5 DGBDMO Cc1[nH+]c2cc(Nc3nc4cc([N+](=O)[O-])ccc4[nH]3)ccc2n1C ZINC001162625676 1089838121 /nfs/dbraw/zinc/83/81/21/1089838121.db2.gz HEIGQYBSNQXZAA-UHFFFAOYSA-N 1 1 322.328 3.410 20 5 DGBDMO CC(C)[N@H+]1CC[C@@H](Nc2cc(Cl)ncc2[N+](=O)[O-])[C@@H](C)C1 ZINC001163362765 1090163750 /nfs/dbraw/zinc/16/37/50/1090163750.db2.gz NYJWHHWYYIGDTF-WDEREUQCSA-N 1 1 312.801 3.174 20 5 DGBDMO C[C@@H]1CCC[C@@H](C)N1c1cc(/C=C/[NH+](C)C)c([N+](=O)[O-])cn1 ZINC001163546066 1090207281 /nfs/dbraw/zinc/20/72/81/1090207281.db2.gz NCELNGKXKNMGHV-RYYBZQDPSA-N 1 1 304.394 3.289 20 5 DGBDMO CC(C)(C)[N@H+]1CC[C@@H]1CNc1ncc([N+](=O)[O-])c2ccccc21 ZINC001163712401 1090240529 /nfs/dbraw/zinc/24/05/29/1090240529.db2.gz XXSJSNHNPVHVRO-GFCCVEGCSA-N 1 1 314.389 3.428 20 5 DGBDMO C[N@H+]1CCC[C@H](CCNc2ccnc3c2cccc3[N+](=O)[O-])C1 ZINC001165289652 1090497095 /nfs/dbraw/zinc/49/70/95/1090497095.db2.gz HQPOBLKRWGMJNS-CYBMUJFWSA-N 1 1 314.389 3.287 20 5 DGBDMO C[N@H+](Cc1ccc2ccc3cccc4ccc1c2c34)C[C@H](O)CO ZINC001204001315 1090864246 /nfs/dbraw/zinc/86/42/46/1090864246.db2.gz FGZTUMFBYCQKGJ-SFHVURJKSA-N 1 1 319.404 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/nfs/dbraw/zinc/54/42/09/1094544209.db2.gz GTDNFFAFQGRBNU-UHFFFAOYSA-N 1 1 311.345 3.068 20 5 DGBDMO Cn1c[nH+]cc1C1CCN(c2ccc([N+](=O)[O-])cc2Cl)CC1 ZINC001121015648 1094570304 /nfs/dbraw/zinc/57/03/04/1094570304.db2.gz PDOFSXOFADFALQ-UHFFFAOYSA-N 1 1 320.780 3.366 20 5 DGBDMO c1ccc2c(c1)cc1ccccc1c2O[C@@H]1C[C@H]2CNCC[N@H+]2C1 ZINC001218107258 1094609014 /nfs/dbraw/zinc/60/90/14/1094609014.db2.gz NAUNHIKXOHSBRK-ZWKOTPCHSA-N 1 1 318.420 3.418 20 5 DGBDMO c1ccc2c(c1)cc1ccccc1c2O[C@@H]1C[C@H]2CNCC[N@@H+]2C1 ZINC001218107258 1094609018 /nfs/dbraw/zinc/60/90/18/1094609018.db2.gz NAUNHIKXOHSBRK-ZWKOTPCHSA-N 1 1 318.420 3.418 20 5 DGBDMO C[C@@H]1C[N@H+](C2CC2)C[C@@H]1Nc1nccc2cc([N+](=O)[O-])ccc21 ZINC001337066210 1094840280 /nfs/dbraw/zinc/84/02/80/1094840280.db2.gz FUWDCYIONANMSX-BZNIZROVSA-N 1 1 312.373 3.038 20 5 DGBDMO O=[N+]([O-])c1ccc2c(c1)nccc2N[C@@H]1CC[N@H+]2CCCC[C@@H]12 ZINC001337733494 1095075959 /nfs/dbraw/zinc/07/59/59/1095075959.db2.gz MQXUFNFORCIFSU-WBVHZDCISA-N 1 1 312.373 3.182 20 5 DGBDMO O=[N+]([O-])c1ccc2c(ccnc2N[C@@H]2CC[N@H+]3CCCC[C@@H]23)c1 ZINC001337735097 1095077404 /nfs/dbraw/zinc/07/74/04/1095077404.db2.gz SHLWTIYNKWNKQW-CVEARBPZSA-N 1 1 312.373 3.182 20 5 DGBDMO C[N@H+]1CCC[C@H](OCc2ccc([N+](=O)[O-])c3ccccc23)C1 ZINC001224205012 1096162693 /nfs/dbraw/zinc/16/26/93/1096162693.db2.gz XCQSUTIPYYPYGD-AWEZNQCLSA-N 1 1 300.358 3.359 20 5 DGBDMO O=[N+]([O-])c1ncccc1O[C@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC001225628303 1096487392 /nfs/dbraw/zinc/48/73/92/1096487392.db2.gz GYMBFAPZEOAHBY-HNNXBMFYSA-N 1 1 313.357 3.033 20 5 DGBDMO O=[N+]([O-])c1cc(F)ccc1O[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC001225905173 1096559875 /nfs/dbraw/zinc/55/98/75/1096559875.db2.gz OCKDLDIYAXTLLT-HNNXBMFYSA-N 1 1 316.332 3.387 20 5 DGBDMO C[N@H+]1CCC[C@@H](Oc2ccc([N+](=O)[O-])cc2C(F)(F)F)C1 ZINC001226311025 1096658645 /nfs/dbraw/zinc/65/86/45/1096658645.db2.gz JCNBJMNITMSIRB-SNVBAGLBSA-N 1 1 304.268 3.087 20 5 DGBDMO CC(C)[NH+]1CC(Oc2ccc3c(c2)oc(=O)c2ccccc32)C1 ZINC001226511672 1096708956 /nfs/dbraw/zinc/70/89/56/1096708956.db2.gz HXHJKNYTMKIHMC-UHFFFAOYSA-N 1 1 309.365 3.418 20 5 DGBDMO C[N@H+]1CCC[C@@H](Oc2ccc3c(c2)oc(=O)c2ccccc32)C1 ZINC001226512806 1096709368 /nfs/dbraw/zinc/70/93/68/1096709368.db2.gz VHNAJPKCYOJDSM-CQSZACIVSA-N 1 1 309.365 3.419 20 5 DGBDMO O=[N+]([O-])c1ccc(O[C@@H]2CCC[N@@H+](Cc3ccccc3)C2)cn1 ZINC001226708642 1096756887 /nfs/dbraw/zinc/75/68/87/1096756887.db2.gz BMPKBBQHZPGIDL-MRXNPFEDSA-N 1 1 313.357 3.033 20 5 DGBDMO C[N@H+]1CCC[C@H](Oc2cc(F)c(Cl)cc2[N+](=O)[O-])CC1 ZINC001227155264 1096882199 /nfs/dbraw/zinc/88/21/99/1096882199.db2.gz XXYZYRNPMTWZDF-VIFPVBQESA-N 1 1 302.733 3.250 20 5 DGBDMO Cc1ccc(N2CCC(Oc3ccccc3[N+](=O)[O-])CC2)[nH+]c1 ZINC001227484785 1096939604 /nfs/dbraw/zinc/93/96/04/1096939604.db2.gz YYRZCNQVSBIHRX-UHFFFAOYSA-N 1 1 313.357 3.346 20 5 DGBDMO Cc1ccc(N2CCC(Oc3ccc([N+](=O)[O-])cc3)CC2)[nH+]c1 ZINC001227523585 1096944250 /nfs/dbraw/zinc/94/42/50/1096944250.db2.gz NNJDCVJNEPTNFW-UHFFFAOYSA-N 1 1 313.357 3.346 20 5 DGBDMO C[C@H](C[NH+]1CCOCC1)Oc1cccc2ccc3cccnc3c21 ZINC001227763758 1096984063 /nfs/dbraw/zinc/98/40/63/1096984063.db2.gz HTWHPQIVUYAOKQ-OAHLLOKOSA-N 1 1 322.408 3.488 20 5 DGBDMO C[N@H+]1CCC[C@@H](Oc2ccc([N+](=O)[O-])c3cccnc23)CC1 ZINC001228135271 1097059512 /nfs/dbraw/zinc/05/95/12/1097059512.db2.gz DBOVAFSLHWQMRO-GFCCVEGCSA-N 1 1 301.346 3.006 20 5 DGBDMO CC[N@H+]1CCC[C@H](Oc2ccc([N+](=O)[O-])c3cccnc23)C1 ZINC001228138580 1097060703 /nfs/dbraw/zinc/06/07/03/1097060703.db2.gz MJFBJPITBUYAKL-LBPRGKRZSA-N 1 1 301.346 3.006 20 5 DGBDMO CC[N@@H+]1CC[C@H](Oc2c(Cl)cc([N+](=O)[O-])cc2Cl)C1 ZINC001228198737 1097072207 /nfs/dbraw/zinc/07/22/07/1097072207.db2.gz PAPWRSJBEIUZLY-VIFPVBQESA-N 1 1 305.161 3.375 20 5 DGBDMO CC[N@H+]1CC[C@H](Oc2c(Cl)cc([N+](=O)[O-])cc2Cl)C1 ZINC001228198737 1097072210 /nfs/dbraw/zinc/07/22/10/1097072210.db2.gz PAPWRSJBEIUZLY-VIFPVBQESA-N 1 1 305.161 3.375 20 5 DGBDMO CC(C)[N@@H+]([C@@H]1CCc2ccc([N+](=O)[O-])cc2CC1)C(C)(C)CN ZINC001172907750 1097270445 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306.406 3.009 20 5 DGBDMO C[C@@H](Cc1ccc([N+](=O)[O-])cc1)[N@H+]1CC[C@@H](c2ccccn2)C1 ZINC001173225135 1097374277 /nfs/dbraw/zinc/37/42/77/1097374277.db2.gz BNFOUQWFDCBPKE-GOEBONIOSA-N 1 1 311.385 3.410 20 5 DGBDMO C[C@@H](Cc1ccc([N+](=O)[O-])cc1)[N@H+]1CC[C@@H](c2ccncc2)C1 ZINC001173227239 1097376417 /nfs/dbraw/zinc/37/64/17/1097376417.db2.gz OUGWOLORIGFELN-WMLDXEAASA-N 1 1 311.385 3.410 20 5 DGBDMO C[C@H](Cc1ccc([N+](=O)[O-])cc1)[N@H+]1CC[C@H]2OCCC[C@H]2C1 ZINC001173228965 1097376467 /nfs/dbraw/zinc/37/64/67/1097376467.db2.gz OQRAQDGRXOXIIW-UKPHBRMFSA-N 1 1 304.390 3.027 20 5 DGBDMO C[C@H](Cc1ccc([N+](=O)[O-])cc1)[N@H+]1CCc2ncsc2C1 ZINC001173233233 1097377502 /nfs/dbraw/zinc/37/75/02/1097377502.db2.gz JRZSAOJJLIHNBV-LLVKDONJSA-N 1 1 303.387 3.041 20 5 DGBDMO CC(C)[NH+](CCN[C@H](C)Cc1ccc([N+](=O)[O-])cc1)C(C)C ZINC001173212274 1097381203 /nfs/dbraw/zinc/38/12/03/1097381203.db2.gz YUCDGZKTPQIZCJ-OAHLLOKOSA-N 1 1 307.438 3.234 20 5 DGBDMO CC[N@H+]1CCC[C@H](Oc2cc([N+](=O)[O-])cc(C(F)(F)F)c2)C1 ZINC001229831208 1097394955 /nfs/dbraw/zinc/39/49/55/1097394955.db2.gz KSWXXQOLUTVPGT-LBPRGKRZSA-N 1 1 318.295 3.477 20 5 DGBDMO C[N@H+]1CC[C@@H](Oc2c3c(O)cccc3cc3cccc(O)c32)C1 ZINC001230760907 1097576155 /nfs/dbraw/zinc/57/61/55/1097576155.db2.gz KBXYCGDBWDGLCM-CQSZACIVSA-N 1 1 309.365 3.487 20 5 DGBDMO O=[N+]([O-])c1cccc(OCC[N@H+]2CCC[C@@H](C3CCC3)C2)c1 ZINC001174705096 1097813329 /nfs/dbraw/zinc/81/33/29/1097813329.db2.gz QAZJQQBAMLJZQW-OAHLLOKOSA-N 1 1 304.390 3.486 20 5 DGBDMO C[C@@H]1CC[C@@H](O)C[N@H+]1Cc1ccc2ccc3cccnc3c2n1 ZINC001232219094 1097972026 /nfs/dbraw/zinc/97/20/26/1097972026.db2.gz QTTCLCMDFVEVIR-CXAGYDPISA-N 1 1 307.397 3.128 20 5 DGBDMO C[C@@H]1C[N@@H+](Cc2ccc3ccc4cccnc4c3n2)CC[C@]1(C)O ZINC001232218843 1097972258 /nfs/dbraw/zinc/97/22/58/1097972258.db2.gz MJBVIOMKKTYFJW-VLIAUNLRSA-N 1 1 321.424 3.376 20 5 DGBDMO OCC[C@@H]1CCC[N@@H+](Cc2ccc3ccc4cccnc4c3n2)C1 ZINC001232221877 1097973063 /nfs/dbraw/zinc/97/30/63/1097973063.db2.gz FYQZQAOJUJEWBG-HNNXBMFYSA-N 1 1 321.424 3.377 20 5 DGBDMO Cc1cc(-n2c3ccccc3nc3cc(N)c(=O)cc2-3)cc(C)[nH+]1 ZINC001176060059 1098252369 /nfs/dbraw/zinc/25/23/69/1098252369.db2.gz KTGHRGIYAFJXMB-UHFFFAOYSA-N 1 1 316.364 3.085 20 5 DGBDMO C[N@@H+]1[C@@H]2CC[C@H]1C[C@@H](Oc1nccc3c1cccc3[N+](=O)[O-])C2 ZINC001234674756 1098641594 /nfs/dbraw/zinc/64/15/94/1098641594.db2.gz RQMRKYRXQIWILS-ITGUQSILSA-N 1 1 313.357 3.147 20 5 DGBDMO CC(C)[N@H+]1CCC[C@@H](Oc2nccc3c2cccc3[N+](=O)[O-])C1 ZINC001234675967 1098642997 /nfs/dbraw/zinc/64/29/97/1098642997.db2.gz GWHOKHNYUZRWEJ-CYBMUJFWSA-N 1 1 315.373 3.395 20 5 DGBDMO C[C@H](C(=O)Nc1cccc([N+](=O)[O-])c1)[N@H+]1CCCC(C)(C)CC1 ZINC001191297339 1100445539 /nfs/dbraw/zinc/44/55/39/1100445539.db2.gz FSPUFQVOAVFOHI-CYBMUJFWSA-N 1 1 319.405 3.434 20 5 DGBDMO Cc1c(C[N@H+](C)C[C@H](C)C(=O)OC(C)(C)C)cccc1[N+](=O)[O-] ZINC001194962944 1101045651 /nfs/dbraw/zinc/04/56/51/1101045651.db2.gz HIJXKBVTYFBXSE-LBPRGKRZSA-N 1 1 322.405 3.313 20 5 DGBDMO CCC[N@@H+](C)CC(C)(C)NC(=O)Nc1ccc(C)c([N+](=O)[O-])c1 ZINC001197823631 1101683718 /nfs/dbraw/zinc/68/37/18/1101683718.db2.gz ONRYXFYJHXYEJS-UHFFFAOYSA-N 1 1 322.409 3.145 20 5 DGBDMO C[N@H+](Cc1c(F)cccc1[N+](=O)[O-])C[C@]12CCC[C@H]1OCC2 ZINC001198791804 1101992370 /nfs/dbraw/zinc/99/23/70/1101992370.db2.gz ZCIHVRYVRHSKDP-HZPDHXFCSA-N 1 1 308.353 3.125 20 5 DGBDMO C[N@@H+](Cc1c(F)cccc1[N+](=O)[O-])C[C@]12CCC[C@H]1OCC2 ZINC001198791804 1101992377 /nfs/dbraw/zinc/99/23/77/1101992377.db2.gz ZCIHVRYVRHSKDP-HZPDHXFCSA-N 1 1 308.353 3.125 20 5 DGBDMO C[NH2+][C@H](C)CCNCc1ccc(-c2ccc([N+](=O)[O-])cc2)s1 ZINC001325627231 1103085573 /nfs/dbraw/zinc/08/55/73/1103085573.db2.gz URGKJUIEKHSKNM-GFCCVEGCSA-N 1 1 319.430 3.411 20 5 DGBDMO COc1cccc([C@@H]2CCC[N@@H+]2Cc2onc(C)c2[N+](=O)[O-])c1 ZINC001329861671 1104401549 /nfs/dbraw/zinc/40/15/49/1104401549.db2.gz FPMKHPONPNSRLY-AWEZNQCLSA-N 1 1 317.345 3.237 20 5 DGBDMO COc1cccc([C@@H]2CCC[N@H+]2Cc2onc(C)c2[N+](=O)[O-])c1 ZINC001329861671 1104401556 /nfs/dbraw/zinc/40/15/56/1104401556.db2.gz FPMKHPONPNSRLY-AWEZNQCLSA-N 1 1 317.345 3.237 20 5 DGBDMO Cc1ccccc1-c1noc([C@@H]([NH3+])Cc2ccc([N+](=O)[O-])cc2)n1 ZINC001248210526 1105069520 /nfs/dbraw/zinc/06/95/20/1105069520.db2.gz QVXOPXITPJSAPE-HNNXBMFYSA-N 1 1 324.340 3.196 20 5 DGBDMO C[NH+](C)Cc1ccc2nc(-c3cc(F)ccc3[N+](=O)[O-])[nH]c2c1 ZINC001250656710 1105555594 /nfs/dbraw/zinc/55/55/94/1105555594.db2.gz FCRRBWBUOPQYKW-UHFFFAOYSA-N 1 1 314.320 3.339 20 5 DGBDMO C[NH+](C)Cc1ccc2nc(-c3ccc(F)cc3[N+](=O)[O-])[nH]c2c1 ZINC001250853152 1105594554 /nfs/dbraw/zinc/59/45/54/1105594554.db2.gz QIKPYGIYXCVOJW-UHFFFAOYSA-N 1 1 314.320 3.339 20 5 DGBDMO C[NH+](C)Cc1ccc2nc(-c3c(F)cccc3[N+](=O)[O-])[nH]c2c1 ZINC001250912762 1105602825 /nfs/dbraw/zinc/60/28/25/1105602825.db2.gz MFPAZEHRFLDYNE-UHFFFAOYSA-N 1 1 314.320 3.339 20 5 DGBDMO C[C@@H]1CC[N@H+](C2CCN(c3ccc([N+](=O)[O-])cc3)CC2)C[C@H]1F ZINC001254474684 1106077800 /nfs/dbraw/zinc/07/78/00/1106077800.db2.gz SRWNGCUAWHOXJD-CXAGYDPISA-N 1 1 321.396 3.244 20 5 DGBDMO O=[N+]([O-])c1ccc(N2CCC([N@H+]3CCC4(CCC4)C3)CC2)cc1 ZINC001254479483 1106079161 /nfs/dbraw/zinc/07/91/61/1106079161.db2.gz AZJRACJZIHQLIY-UHFFFAOYSA-N 1 1 315.417 3.440 20 5 DGBDMO CCCC[N@H+](CC)CCN[C@H](C)Cc1ccccc1[N+](=O)[O-] ZINC001254535377 1106098310 /nfs/dbraw/zinc/09/83/10/1106098310.db2.gz IVDLCJSMOCRLSG-OAHLLOKOSA-N 1 1 307.438 3.237 20 5 DGBDMO CCCC[N@@H+](CC)CCN[C@H](C)Cc1ccccc1[N+](=O)[O-] ZINC001254535377 1106098315 /nfs/dbraw/zinc/09/83/15/1106098315.db2.gz IVDLCJSMOCRLSG-OAHLLOKOSA-N 1 1 307.438 3.237 20 5 DGBDMO C[C@H](Cc1ccccc1[N+](=O)[O-])[N@H+]1CC[C@H]2OCCC[C@@H]2C1 ZINC001254550578 1106101528 /nfs/dbraw/zinc/10/15/28/1106101528.db2.gz MGXFMJHEDDKNSS-FRFSOERESA-N 1 1 304.390 3.027 20 5 DGBDMO COCC[C@H]1CCCC[N@H+]1[C@@H](C)Cc1ccccc1[N+](=O)[O-] ZINC001254561680 1106104000 /nfs/dbraw/zinc/10/40/00/1106104000.db2.gz IERXFWJSDHGIPK-GOEBONIOSA-N 1 1 306.406 3.417 20 5 DGBDMO CCN(CC)CC[N@H+](CC)[C@H](C)Cc1ccccc1[N+](=O)[O-] ZINC001254563627 1106104179 /nfs/dbraw/zinc/10/41/79/1106104179.db2.gz ZRJLBUNBKWTADD-OAHLLOKOSA-N 1 1 307.438 3.190 20 5 DGBDMO CCN(CC)CC[N@@H+](CC)[C@H](C)Cc1ccccc1[N+](=O)[O-] ZINC001254563627 1106104181 /nfs/dbraw/zinc/10/41/81/1106104181.db2.gz ZRJLBUNBKWTADD-OAHLLOKOSA-N 1 1 307.438 3.190 20 5 DGBDMO Cc1cccc2c1CC[N@H+]([C@@H]1Cc3ccc([N+](=O)[O-])cc3C1)C2 ZINC001254599673 1106110733 /nfs/dbraw/zinc/11/07/33/1106110733.db2.gz OHNSFOAMOXYKIN-GOSISDBHSA-N 1 1 308.381 3.429 20 5 DGBDMO C[C@@H]1CC[N@H+]([C@H]2Cc3ccc([N+](=O)[O-])cc3C2)CCC1(F)F ZINC001254596711 1106110754 /nfs/dbraw/zinc/11/07/54/1106110754.db2.gz FLTRJKCXOOHOSM-ABAIWWIYSA-N 1 1 310.344 3.429 20 5 DGBDMO O=[N+]([O-])c1ccc2c(c1)C[C@@H]([N@H+]1CC[C@@H](Oc3ccccc3)C1)C2 ZINC001254600357 1106110784 /nfs/dbraw/zinc/11/07/84/1106110784.db2.gz PCRDERPFPFLKNI-PKOBYXMFSA-N 1 1 324.380 3.215 20 5 DGBDMO Cc1cc([C@H]2CCC[N@H+]2[C@@H]2Cc3ccc([N+](=O)[O-])cc3C2)no1 ZINC001254599269 1106110843 /nfs/dbraw/zinc/11/08/43/1106110843.db2.gz MZIGAQRPFFGANB-NVXWUHKLSA-N 1 1 313.357 3.196 20 5 DGBDMO Cc1cc([C@H]2CCC[N@H+]2[C@H]2Cc3ccc([N+](=O)[O-])cc3C2)no1 ZINC001254599262 1106110963 /nfs/dbraw/zinc/11/09/63/1106110963.db2.gz MZIGAQRPFFGANB-DOTOQJQBSA-N 1 1 313.357 3.196 20 5 DGBDMO C[N@@H+](Cc1cnc(Cl)s1)[C@@H]1Cc2ccc([N+](=O)[O-])cc2C1 ZINC001254601031 1106111734 /nfs/dbraw/zinc/11/17/34/1106111734.db2.gz XKGQXMMDTHYDMT-GFCCVEGCSA-N 1 1 323.805 3.304 20 5 DGBDMO C/C(=C\c1cccc([N+](=O)[O-])c1)C[N@H+]1CCC[C@](C)(CO)C1 ZINC001320643807 1107085082 /nfs/dbraw/zinc/08/50/82/1107085082.db2.gz QGEBXQBQFFCELU-ZGUWOUCSSA-N 1 1 304.390 3.093 20 5 DGBDMO C/C(=C/c1cccc([N+](=O)[O-])c1)CN1CCC[N@H+]2CCC[C@H]2C1 ZINC001320951098 1107201010 /nfs/dbraw/zinc/20/10/10/1107201010.db2.gz JICMHJXCRHSUIF-RXBGNRNISA-N 1 1 315.417 3.168 20 5 DGBDMO Cn1c2ccccc2nc1CC[N@@H+]1Cc2ccc([N+](=O)[O-])cc2C1 ZINC001324185085 1108200268 /nfs/dbraw/zinc/20/02/68/1108200268.db2.gz CUMABMDHIABWRS-UHFFFAOYSA-N 1 1 322.368 3.040 20 5 DGBDMO Cn1c2ccccc2nc1CC[N@H+]1Cc2ccc([N+](=O)[O-])cc2C1 ZINC001324185085 1108200274 /nfs/dbraw/zinc/20/02/74/1108200274.db2.gz CUMABMDHIABWRS-UHFFFAOYSA-N 1 1 322.368 3.040 20 5 DGBDMO CC(C)C[N@@H+](C)CCCNc1nc2c(cc1[N+](=O)[O-])CCCC2 ZINC001307158469 1111272700 /nfs/dbraw/zinc/27/27/00/1111272700.db2.gz ZUANRDIHYBMJOB-UHFFFAOYSA-N 1 1 320.437 3.258 20 5 DGBDMO CCc1cc(NC[C@H](C)c2ccccc2[N+](=O)[O-])nc(C)[nH+]1 ZINC001307219977 1111280585 /nfs/dbraw/zinc/28/05/85/1111280585.db2.gz BGZYTLMOWVMDKI-NSHDSACASA-N 1 1 300.362 3.471 20 5 DGBDMO CC[C@@H]1CC[N@@H+]([C@@H](C)C(=O)Nc2ccccc2[N+](=O)[O-])[C@H]1C ZINC001307703583 1111329974 /nfs/dbraw/zinc/32/99/74/1111329974.db2.gz VUTNWVXNXLGLBQ-RWMBFGLXSA-N 1 1 305.378 3.042 20 5 DGBDMO C[N@@H+](CCc1cccc([N+](=O)[O-])c1)CC1(O)CCCCCC1 ZINC001307718354 1111331611 /nfs/dbraw/zinc/33/16/11/1111331611.db2.gz ZCNPMCFCMAVFTP-UHFFFAOYSA-N 1 1 306.406 3.154 20 5 DGBDMO CO[C@@H]1CC[C@H](C)[N@H+](Cc2cc([N+](=O)[O-])ccc2OC(C)C)C1 ZINC001307996027 1111363398 /nfs/dbraw/zinc/36/33/98/1111363398.db2.gz JHSBPQVDPDFGCE-XJKSGUPXSA-N 1 1 322.405 3.381 20 5 DGBDMO CO[C@@H]1CC[C@H](C)[N@@H+](Cc2cc([N+](=O)[O-])ccc2OC(C)C)C1 ZINC001307996027 1111363402 /nfs/dbraw/zinc/36/34/02/1111363402.db2.gz JHSBPQVDPDFGCE-XJKSGUPXSA-N 1 1 322.405 3.381 20 5 DGBDMO Cc1ccc([N+](=O)[O-])c(C)c1CNC[C@H](CC(C)C)[NH+](C)C ZINC001308193479 1111394513 /nfs/dbraw/zinc/39/45/13/1111394513.db2.gz ZMBRIDFDGDNBFR-HNNXBMFYSA-N 1 1 307.438 3.278 20 5 DGBDMO Cc1c(C[NH2+]Cc2cc(F)cnc2Cl)cccc1[N+](=O)[O-] ZINC001308420429 1111427339 /nfs/dbraw/zinc/42/73/39/1111427339.db2.gz DHOUYFZRZZFIEZ-UHFFFAOYSA-N 1 1 309.728 3.381 20 5 DGBDMO CC(C)C1(O)CC[NH+](Cc2cc(Cl)ccc2[N+](=O)[O-])CC1 ZINC001620667722 1193788370 /nfs/dbraw/zinc/78/83/70/1193788370.db2.gz ATJOJWSCAWPSKU-UHFFFAOYSA-N 1 1 312.797 3.231 20 5 DGBDMO C[C@H]([N@@H+](C)CCC(=O)Nc1cc([N+](=O)[O-])ccc1F)C1(C)CC1 ZINC000128870083 432002040 /nfs/dbraw/zinc/00/20/40/432002040.db2.gz ULPHFDVXRGERFA-NSHDSACASA-N 1 1 323.368 3.183 20 5 DGBDMO C[C@H]1C[C@@H](Nc2ccc([N+](=O)[O-])c3cnccc23)CC[N@H+]1C ZINC000316806990 231154077 /nfs/dbraw/zinc/15/40/77/231154077.db2.gz PKSGLUFXEBEDIE-RYUDHWBXSA-N 1 1 300.362 3.038 20 5 DGBDMO Cc1c(C[N@H+]2CCC[C@@H]2[C@H]2CCC[C@H]2O)cccc1[N+](=O)[O-] ZINC000319368367 231183883 /nfs/dbraw/zinc/18/38/83/231183883.db2.gz YKJBJCVJCWKCOG-DJIMGWMZSA-N 1 1 304.390 3.029 20 5 DGBDMO O=[N+]([O-])c1c(N[C@@H]2CC[N@H+]3CCC[C@@H]3C2)ccc2ncccc21 ZINC000322601463 231212574 /nfs/dbraw/zinc/21/25/74/231212574.db2.gz MIALBWWRIDGIBO-CHWSQXEVSA-N 1 1 312.373 3.182 20 5 DGBDMO CC[C@]1(O)CC[N@@H+](Cc2ccc(-c3ccccc3[N+](=O)[O-])o2)C1 ZINC000428429213 529442129 /nfs/dbraw/zinc/44/21/29/529442129.db2.gz FNKJDFXQKKSIHL-KRWDZBQOSA-N 1 1 316.357 3.202 20 5 DGBDMO C[C@@H]1CCC[N@@H+](Cc2nc(-c3ccc([N+](=O)[O-])cc3)no2)CC1 ZINC000063302471 432004691 /nfs/dbraw/zinc/00/46/91/432004691.db2.gz NVSNJGKXUFGWNT-GFCCVEGCSA-N 1 1 316.361 3.267 20 5 DGBDMO O=[N+]([O-])c1ccc(Cl)c(C[NH+]2CCC(CCCO)CC2)c1 ZINC000272837954 210235493 /nfs/dbraw/zinc/23/54/93/210235493.db2.gz NYRPHWRUAVEEJY-UHFFFAOYSA-N 1 1 312.797 3.233 20 5 DGBDMO CC[C@H](C)[N@@H+](C)CCNc1ccc2cc([N+](=O)[O-])ccc2n1 ZINC000318642995 529690457 /nfs/dbraw/zinc/69/04/57/529690457.db2.gz DNGHGNHTJCHLGP-LBPRGKRZSA-N 1 1 302.378 3.285 20 5 DGBDMO C[N@H+](Cc1ccc(Cl)cc1[N+](=O)[O-])C[C@@H]1CCCC[C@@H]1O ZINC000181460815 199299378 /nfs/dbraw/zinc/29/93/78/199299378.db2.gz KPMUNWGJTOXUTL-WFASDCNBSA-N 1 1 312.797 3.231 20 5 DGBDMO C[N@@H+](CCCCNc1ccnc2c1cccc2[N+](=O)[O-])C1CC1 ZINC000413349575 529884365 /nfs/dbraw/zinc/88/43/65/529884365.db2.gz SOJGGVYHWBCZTG-UHFFFAOYSA-N 1 1 314.389 3.429 20 5 DGBDMO C[N@@H+](CCNc1sccc1[N+](=O)[O-])Cc1ccc(F)cc1 ZINC000301978726 529918336 /nfs/dbraw/zinc/91/83/36/529918336.db2.gz ACWSQNXQDAASAX-UHFFFAOYSA-N 1 1 309.366 3.339 20 5 DGBDMO C[N@H+]1CCC[C@H](CCNc2ccc3ncccc3c2[N+](=O)[O-])C1 ZINC000413437734 530061023 /nfs/dbraw/zinc/06/10/23/530061023.db2.gz KQSZHMVPBUJDGQ-CYBMUJFWSA-N 1 1 314.389 3.287 20 5 DGBDMO CO[C@@H]1CCC[N@@H+](Cc2ccc(-c3cccc([N+](=O)[O-])c3)o2)C1 ZINC000130279762 432019664 /nfs/dbraw/zinc/01/96/64/432019664.db2.gz XMYJEHVRKUUQHY-OAHLLOKOSA-N 1 1 316.357 3.466 20 5 DGBDMO C[C@@H](O)C[C@H]1CCCC[N@H+]1Cc1ccc(Cl)c([N+](=O)[O-])c1 ZINC000279818879 215172770 /nfs/dbraw/zinc/17/27/70/215172770.db2.gz QIZAQWPDDDJZOW-DGCLKSJQSA-N 1 1 312.797 3.374 20 5 DGBDMO C[N@@H+](Cc1nnc(-c2ccc([N+](=O)[O-])cc2)o1)C1CCCCC1 ZINC000072543855 191190031 /nfs/dbraw/zinc/19/00/31/191190031.db2.gz QKVKFWQTDFLNEW-UHFFFAOYSA-N 1 1 316.361 3.409 20 5 DGBDMO COc1c(C)cnc(C[NH2+][C@@H](C)c2cccc([N+](=O)[O-])c2)c1C ZINC000173366336 198207152 /nfs/dbraw/zinc/20/71/52/198207152.db2.gz PSRAEDNGTUXKDU-ZDUSSCGKSA-N 1 1 315.373 3.466 20 5 DGBDMO Cn1cc([C@@H]2CCCC[N@@H+]2Cc2cccc([N+](=O)[O-])c2)cn1 ZINC000331961334 234323446 /nfs/dbraw/zinc/32/34/46/234323446.db2.gz VARBZKAYYCHFLF-INIZCTEOSA-N 1 1 300.362 3.056 20 5 DGBDMO Cn1cc([C@@H]2CCCC[N@H+]2Cc2cccc([N+](=O)[O-])c2)cn1 ZINC000331961334 234323451 /nfs/dbraw/zinc/32/34/51/234323451.db2.gz VARBZKAYYCHFLF-INIZCTEOSA-N 1 1 300.362 3.056 20 5 DGBDMO O=[N+]([O-])c1cnn(CC[N@H+]2CCC[C@@H]2c2ccc(Cl)cc2)c1 ZINC000174816813 198389388 /nfs/dbraw/zinc/38/93/88/198389388.db2.gz HUKWDLBLJAHSKF-OAHLLOKOSA-N 1 1 320.780 3.282 20 5 DGBDMO COc1ccc(CC[N@H+]2CCc3ccc([N+](=O)[O-])cc3C2)cc1 ZINC000131296510 432035091 /nfs/dbraw/zinc/03/50/91/432035091.db2.gz YOLVEGKBPXFMNU-UHFFFAOYSA-N 1 1 312.369 3.204 20 5 DGBDMO Cc1cc([N+](=O)[O-])ccc1NC(=O)C[N@H+](C)C1CCCCCC1 ZINC000073158389 191285683 /nfs/dbraw/zinc/28/56/83/191285683.db2.gz ZTYYGTQPKWEOSL-UHFFFAOYSA-N 1 1 319.405 3.496 20 5 DGBDMO COCc1cccc(C[N@H+](C)Cc2ccccc2[N+](=O)[O-])c1 ZINC000179187458 432048754 /nfs/dbraw/zinc/04/87/54/432048754.db2.gz IAEMUTJAGMCMBM-UHFFFAOYSA-N 1 1 300.358 3.373 20 5 DGBDMO COCc1cccc(C[N@@H+](C)Cc2ccccc2[N+](=O)[O-])c1 ZINC000179187458 432048756 /nfs/dbraw/zinc/04/87/56/432048756.db2.gz IAEMUTJAGMCMBM-UHFFFAOYSA-N 1 1 300.358 3.373 20 5 DGBDMO CCN(CC)c1ncc(C[NH2+]Cc2ccccc2[N+](=O)[O-])s1 ZINC000236950624 202089689 /nfs/dbraw/zinc/08/96/89/202089689.db2.gz SSMDEUUEUJTVFQ-UHFFFAOYSA-N 1 1 320.418 3.187 20 5 DGBDMO C[C@@H]1CN(Cc2ccc([N+](=O)[O-])c(F)c2)CC[N@H+](C2CCC2)C1 ZINC000292357192 223018192 /nfs/dbraw/zinc/01/81/92/223018192.db2.gz QEMPBRWKTVANMC-CYBMUJFWSA-N 1 1 321.396 3.040 20 5 DGBDMO CCn1cc(C[N@@H+](Cc2ccc([N+](=O)[O-])cc2)C(C)C)cn1 ZINC000179320211 199015014 /nfs/dbraw/zinc/01/50/14/199015014.db2.gz NTQGXKRMOKBKBO-UHFFFAOYSA-N 1 1 302.378 3.222 20 5 DGBDMO Cn1cc(C[N@@H+](C)C2CCCC2)c(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000179796502 199081328 /nfs/dbraw/zinc/08/13/28/199081328.db2.gz GETWJGBAZVVGQF-UHFFFAOYSA-N 1 1 314.389 3.370 20 5 DGBDMO C[N@H+](Cc1ccc(-c2ccc([N+](=O)[O-])cc2)o1)C[C@H]1CCOC1 ZINC000180158306 199124907 /nfs/dbraw/zinc/12/49/07/199124907.db2.gz VWRKZKGXKDGGHK-CYBMUJFWSA-N 1 1 316.357 3.323 20 5 DGBDMO C[C@H]([NH2+]CC(=O)N1[C@@H](C)CCC[C@@H]1C)c1ccccc1[N+](=O)[O-] ZINC000271689396 299275085 /nfs/dbraw/zinc/27/50/85/299275085.db2.gz DYJOMZFZPFPDIA-IHRRRGAJSA-N 1 1 319.405 3.035 20 5 DGBDMO C[C@@H]1CCCC[N@@H+](Cc2cc([N+](=O)[O-])cc3c2OCOC3)C1 ZINC000187930305 200178591 /nfs/dbraw/zinc/17/85/91/200178591.db2.gz JOHBREJOLXJJIB-GFCCVEGCSA-N 1 1 306.362 3.083 20 5 DGBDMO C[C@H]1C[N@@H+](CCc2ccc([N+](=O)[O-])cc2)Cc2ccccc2O1 ZINC000429115333 238040579 /nfs/dbraw/zinc/04/05/79/238040579.db2.gz OAWLFGBGXHOUMR-AWEZNQCLSA-N 1 1 312.369 3.420 20 5 DGBDMO COc1ccc(OCC[N@@H+](C)[C@@H]2CC[C@H](C)C2)c([N+](=O)[O-])c1 ZINC000429575853 238055931 /nfs/dbraw/zinc/05/59/31/238055931.db2.gz AWLMRIHPGJPPHF-QWHCGFSZSA-N 1 1 308.378 3.103 20 5 DGBDMO Cc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@H+](C)[C@@H]1CC[C@H](C)C1 ZINC000429584353 238056176 /nfs/dbraw/zinc/05/61/76/238056176.db2.gz DTDNTGCHQOHHOC-GXTWGEPZSA-N 1 1 319.405 3.352 20 5 DGBDMO COc1cc([N+](=O)[O-])ccc1C[N@@H+]1CC[C@@H](C(F)(F)F)[C@@H]1C ZINC000430231638 238071786 /nfs/dbraw/zinc/07/17/86/238071786.db2.gz CQOGFDUXNYSODY-JOYOIKCWSA-N 1 1 318.295 3.376 20 5 DGBDMO COc1cc([N+](=O)[O-])ccc1C[N@H+]1CC[C@@H](C(F)(F)F)[C@@H]1C ZINC000430231638 238071787 /nfs/dbraw/zinc/07/17/87/238071787.db2.gz CQOGFDUXNYSODY-JOYOIKCWSA-N 1 1 318.295 3.376 20 5 DGBDMO COCC[N@@H+](Cc1ccc([N+](=O)[O-])cc1OC)[C@@H]1CCC[C@H]1C ZINC000430239685 238072056 /nfs/dbraw/zinc/07/20/56/238072056.db2.gz BPZWEBJPMMEDED-CZUORRHYSA-N 1 1 322.405 3.240 20 5 DGBDMO O=[N+]([O-])c1cccc2c(N3CCC[C@@H](c4[nH]cc[nH+]4)C3)ccnc21 ZINC000432338698 238125695 /nfs/dbraw/zinc/12/56/95/238125695.db2.gz WSRFJZOBPMDNDQ-GFCCVEGCSA-N 1 1 323.356 3.250 20 5 DGBDMO COCc1cc([N+](=O)[O-])ccc1NC[C@@H]1CCCC[N@H+]1C1CC1 ZINC000433804908 238168487 /nfs/dbraw/zinc/16/84/87/238168487.db2.gz SIZOZBZCEYWKRU-INIZCTEOSA-N 1 1 319.405 3.170 20 5 DGBDMO O=[N+]([O-])c1cccnc1NC[C@H]1CCC[N@H+]1C1CCCCC1 ZINC000435582297 238321361 /nfs/dbraw/zinc/32/13/61/238321361.db2.gz CNYJLVGPFJCUQX-CQSZACIVSA-N 1 1 304.394 3.199 20 5 DGBDMO COc1ccc(OCC[N@@H+](CCC(C)C)C2CC2)c([N+](=O)[O-])c1 ZINC000441191051 239017685 /nfs/dbraw/zinc/01/76/85/239017685.db2.gz UQSFWUNIFYSUQF-UHFFFAOYSA-N 1 1 322.405 3.493 20 5 DGBDMO COc1ccc(OCC[N@@H+](C)[C@H]2CCC[C@@H](C)C2)c([N+](=O)[O-])c1 ZINC000441184687 239017878 /nfs/dbraw/zinc/01/78/78/239017878.db2.gz WQEAYPCATBGIOS-KGLIPLIRSA-N 1 1 322.405 3.493 20 5 DGBDMO COc1ccc(OCC[N@@H+]2[C@H](C)CCC[C@@H]2C)c([N+](=O)[O-])c1 ZINC000441312467 239033250 /nfs/dbraw/zinc/03/32/50/239033250.db2.gz ZXUULAURWFDPDF-BETUJISGSA-N 1 1 308.378 3.245 20 5 DGBDMO Cc1cc([N+](=O)[O-])ccc1NC(=O)C[N@@H+]1CC[C@H](C)C[C@H](C)C1 ZINC000443643994 239223451 /nfs/dbraw/zinc/22/34/51/239223451.db2.gz WSZFEAOTICWOPB-STQMWFEESA-N 1 1 319.405 3.210 20 5 DGBDMO C[C@H]1C[N@@H+](CCC(=O)Nc2cc([N+](=O)[O-])ccc2F)C(C)(C)C1 ZINC000275462027 212347928 /nfs/dbraw/zinc/34/79/28/212347928.db2.gz KGVMTHGTIZGUIX-LLVKDONJSA-N 1 1 323.368 3.183 20 5 DGBDMO C[C@H](Cc1ccccc1[N+](=O)[O-])[NH2+]CCc1ccc2cn[nH]c2c1 ZINC000449313229 240125601 /nfs/dbraw/zinc/12/56/01/240125601.db2.gz OGXOASLIUAVUMC-CYBMUJFWSA-N 1 1 324.384 3.234 20 5 DGBDMO O=[N+]([O-])c1ccc([C@@H]2CCC[N@H+](Cc3nccs3)C2)cc1 ZINC000449494927 240245105 /nfs/dbraw/zinc/24/51/05/240245105.db2.gz BRBRIBQQMVICJC-CYBMUJFWSA-N 1 1 303.387 3.431 20 5 DGBDMO O=[N+]([O-])c1ccc([C@@H]2CCC[N@@H+](Cc3nccs3)C2)cc1 ZINC000449494927 240245110 /nfs/dbraw/zinc/24/51/10/240245110.db2.gz BRBRIBQQMVICJC-CYBMUJFWSA-N 1 1 303.387 3.431 20 5 DGBDMO Cc1ccc(C[N@H+]2CCC[C@@H]2[C@@H]2CCC[C@@H]2O)cc1[N+](=O)[O-] ZINC000449463829 240222703 /nfs/dbraw/zinc/22/27/03/240222703.db2.gz WXXXCULGNXIGJX-UXLLHSPISA-N 1 1 304.390 3.029 20 5 DGBDMO O=[N+]([O-])c1ccc([C@H]2CCC[N@@H+](CC3=CCCOC3)C2)cc1 ZINC000449501513 240250465 /nfs/dbraw/zinc/25/04/65/240250465.db2.gz PQTTWDKFCOUYNO-INIZCTEOSA-N 1 1 302.374 3.121 20 5 DGBDMO O=[N+]([O-])c1ccc([C@H]2CCC[N@@H+](Cc3cncs3)C2)cc1 ZINC000449505379 240253422 /nfs/dbraw/zinc/25/34/22/240253422.db2.gz XDQGXSOGCPPNGF-ZDUSSCGKSA-N 1 1 303.387 3.431 20 5 DGBDMO CC[C@H](NC[C@H](C)C[NH+]1CCCC1)c1cccc([N+](=O)[O-])c1 ZINC000171141316 432105649 /nfs/dbraw/zinc/10/56/49/432105649.db2.gz WMNQGWBTSAMJIQ-YOEHRIQHSA-N 1 1 305.422 3.367 20 5 DGBDMO CC[C@H]1CCC[N@@H+](Cc2cc(OC)c(OC)cc2[N+](=O)[O-])C1 ZINC000091919374 193126690 /nfs/dbraw/zinc/12/66/90/193126690.db2.gz DKNVOPHFWAUMST-LBPRGKRZSA-N 1 1 308.378 3.234 20 5 DGBDMO C[C@H](c1ccccc1[N+](=O)[O-])[N@H+]1CCC[C@@H]1[C@H]1CCC[C@H]1O ZINC000451421932 241120153 /nfs/dbraw/zinc/12/01/53/241120153.db2.gz QRPMZYDADNHSES-DNNBLBMLSA-N 1 1 304.390 3.281 20 5 DGBDMO O=[N+]([O-])c1ccc([C@H]2CCC[N@@H+](C[C@H]3CCCCO3)C2)cc1 ZINC000451559589 241176072 /nfs/dbraw/zinc/17/60/72/241176072.db2.gz HHKWTVDJBMPVLV-DOTOQJQBSA-N 1 1 304.390 3.343 20 5 DGBDMO O=[N+]([O-])c1ccc(CC[N@H+]2CCC[C@@]3(CCSC3)C2)cc1 ZINC000451955382 241283040 /nfs/dbraw/zinc/28/30/40/241283040.db2.gz BDAJRNKDWIAZDM-MRXNPFEDSA-N 1 1 306.431 3.356 20 5 DGBDMO CC[C@@H](C)[N@@H+](C)CCNc1ccc([N+](=O)[O-])c(OC(F)F)c1 ZINC000092642857 284007931 /nfs/dbraw/zinc/00/79/31/284007931.db2.gz CWDAQKOYODOCGF-SNVBAGLBSA-N 1 1 317.336 3.338 20 5 DGBDMO O=[N+]([O-])c1ccc(OC(F)F)c(C[N@H+]2C[C@@H]3CCC[C@@H]3C2)c1 ZINC000093443583 284012332 /nfs/dbraw/zinc/01/23/32/284012332.db2.gz QBLPOLDQOPYJBJ-PHIMTYICSA-N 1 1 312.316 3.428 20 5 DGBDMO O=[N+]([O-])c1cccc(F)c1C[N@@H+]1CC[C@@H](Nc2ccccc2)C1 ZINC000103480824 284031552 /nfs/dbraw/zinc/03/15/52/284031552.db2.gz ABUOOUULFBQMOS-CQSZACIVSA-N 1 1 315.348 3.420 20 5 DGBDMO O=[N+]([O-])c1cccc(F)c1C[N@H+]1CC[C@@H](Nc2ccccc2)C1 ZINC000103480824 284031559 /nfs/dbraw/zinc/03/15/59/284031559.db2.gz ABUOOUULFBQMOS-CQSZACIVSA-N 1 1 315.348 3.420 20 5 DGBDMO C/C(=C\c1cccc([N+](=O)[O-])c1)C[N@H+]1CC[C@H]([C@@H]2CCOC2)C1 ZINC000470178924 244157580 /nfs/dbraw/zinc/15/75/80/244157580.db2.gz PVYOXFYNAQKIOM-AJRXROEASA-N 1 1 316.401 3.357 20 5 DGBDMO CC[C@@]1(CO)CCC[N@@H+](C/C(C)=C\c2cccc([N+](=O)[O-])c2)C1 ZINC000470203109 244158214 /nfs/dbraw/zinc/15/82/14/244158214.db2.gz AKAICSUYPALKGW-QWSHFYNQSA-N 1 1 318.417 3.483 20 5 DGBDMO C[C@H]1C[C@@H](O)C[N@H+]1Cc1ccc(-c2ccccc2[N+](=O)[O-])s1 ZINC000471813651 244253624 /nfs/dbraw/zinc/25/36/24/244253624.db2.gz ZVXUGUKFNNBXFA-NWDGAFQWSA-N 1 1 318.398 3.278 20 5 DGBDMO CCCC[N@H+](CCCO)Cc1c(Cl)cccc1[N+](=O)[O-] ZINC000119785932 284151891 /nfs/dbraw/zinc/15/18/91/284151891.db2.gz VAIBZUHZNUBCMY-UHFFFAOYSA-N 1 1 300.786 3.233 20 5 DGBDMO CCCC[N@@H+](CCCO)Cc1c(Cl)cccc1[N+](=O)[O-] ZINC000119785932 284151892 /nfs/dbraw/zinc/15/18/92/284151892.db2.gz VAIBZUHZNUBCMY-UHFFFAOYSA-N 1 1 300.786 3.233 20 5 DGBDMO CCOC[C@@H]1CCC[N@@H+](C/C=C/c2ccccc2[N+](=O)[O-])C1 ZINC000093418971 193249077 /nfs/dbraw/zinc/24/90/77/193249077.db2.gz ZHJFSHLQYXTOSC-RZIFZGNASA-N 1 1 304.390 3.357 20 5 DGBDMO Cc1ccc(C[NH+]2CCN(c3cccs3)CC2)cc1[N+](=O)[O-] ZINC000093692103 193290994 /nfs/dbraw/zinc/29/09/94/193290994.db2.gz SLUJGALCNLHYRA-UHFFFAOYSA-N 1 1 317.414 3.287 20 5 DGBDMO CC(C)[C@H](C[NH2+][C@H](C)c1cccc([N+](=O)[O-])c1)N1CCCC1 ZINC000120732336 284177416 /nfs/dbraw/zinc/17/74/16/284177416.db2.gz LGTGZVCEVYIIQN-PBHICJAKSA-N 1 1 305.422 3.366 20 5 DGBDMO C[C@@]1(c2ccccc2)C[N@H+](Cc2ccc([N+](=O)[O-])cc2)CCO1 ZINC000121224598 284191749 /nfs/dbraw/zinc/19/17/49/284191749.db2.gz KFQVHGCXNHNJTC-SFHVURJKSA-N 1 1 312.369 3.342 20 5 DGBDMO C[C@@]1(c2ccccc2)C[N@@H+](Cc2ccc([N+](=O)[O-])cc2)CCO1 ZINC000121224598 284191752 /nfs/dbraw/zinc/19/17/52/284191752.db2.gz KFQVHGCXNHNJTC-SFHVURJKSA-N 1 1 312.369 3.342 20 5 DGBDMO COCC[N@@H+](CCc1ccc([N+](=O)[O-])cc1)[C@@H]1CCC[C@@H]1C ZINC000488102746 245146861 /nfs/dbraw/zinc/14/68/61/245146861.db2.gz HQCJHURFAGYWCK-WMLDXEAASA-N 1 1 306.406 3.274 20 5 DGBDMO Cc1cccc([N+](=O)[O-])c1N1CC[N@H+](C2CCC2)C[C@H](C)C1 ZINC000488734070 245224531 /nfs/dbraw/zinc/22/45/31/245224531.db2.gz PZKYORARQZNRGH-ZDUSSCGKSA-N 1 1 303.406 3.214 20 5 DGBDMO CC(C)n1ccnc1C[N@H+](C)CCc1cccc([N+](=O)[O-])c1 ZINC000282500307 217043209 /nfs/dbraw/zinc/04/32/09/217043209.db2.gz QUDRMFLTAOAKHF-UHFFFAOYSA-N 1 1 302.378 3.047 20 5 DGBDMO CC(C)n1ccnc1C[N@@H+](C)CCc1cccc([N+](=O)[O-])c1 ZINC000282500307 217043212 /nfs/dbraw/zinc/04/32/12/217043212.db2.gz QUDRMFLTAOAKHF-UHFFFAOYSA-N 1 1 302.378 3.047 20 5 DGBDMO Cn1c2ccccc2nc1C[N@H+](C)CCc1cccc([N+](=O)[O-])c1 ZINC000282498711 217040437 /nfs/dbraw/zinc/04/04/37/217040437.db2.gz QQXNCEOZVSMYNV-UHFFFAOYSA-N 1 1 324.384 3.156 20 5 DGBDMO Cn1c2ccccc2nc1C[N@@H+](C)CCc1cccc([N+](=O)[O-])c1 ZINC000282498711 217040440 /nfs/dbraw/zinc/04/04/40/217040440.db2.gz QQXNCEOZVSMYNV-UHFFFAOYSA-N 1 1 324.384 3.156 20 5 DGBDMO CC(C)[N@H+]1CCC[C@H](CNc2ncc([N+](=O)[O-])cc2Cl)C1 ZINC000265578169 204711911 /nfs/dbraw/zinc/71/19/11/204711911.db2.gz VYJTVFITQICJNO-LLVKDONJSA-N 1 1 312.801 3.176 20 5 DGBDMO O=[N+]([O-])c1ccc(CN2CCC[N@H+](C3CCCC3)CC2)cc1F ZINC000282985620 217370607 /nfs/dbraw/zinc/37/06/07/217370607.db2.gz DQTMKLLFXHDUTN-UHFFFAOYSA-N 1 1 321.396 3.184 20 5 DGBDMO Cc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@H+](C)[C@@H](C)C1(C)CC1 ZINC000267690113 206220281 /nfs/dbraw/zinc/22/02/81/206220281.db2.gz HQJJWCRZARVTEL-ZDUSSCGKSA-N 1 1 319.405 3.352 20 5 DGBDMO CCc1[nH+]ccn1[C@H]1CCCN(Cc2csc([N+](=O)[O-])c2)C1 ZINC000105897613 194162849 /nfs/dbraw/zinc/16/28/49/194162849.db2.gz XAFZGOQKWCDPKU-ZDUSSCGKSA-N 1 1 320.418 3.252 20 5 DGBDMO Cc1cnn([C@H]2CCC[N@H+]([C@@H](C)c3cccc([N+](=O)[O-])c3)C2)c1 ZINC000105900648 194164610 /nfs/dbraw/zinc/16/46/10/194164610.db2.gz UFEXACGFIGGVCR-YOEHRIQHSA-N 1 1 314.389 3.498 20 5 DGBDMO Cc1[nH+]ccn1CCCOc1cc(F)c([N+](=O)[O-])cc1Cl ZINC000285253549 218353299 /nfs/dbraw/zinc/35/32/99/218353299.db2.gz RWBXAXKEEQXGAP-UHFFFAOYSA-N 1 1 313.716 3.361 20 5 DGBDMO CN(Cc1ccc([N+](=O)[O-])cc1Cl)C1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC000285345906 218391487 /nfs/dbraw/zinc/39/14/87/218391487.db2.gz ALXHPVCFFPKVIO-NNQSOWQGSA-N 1 1 323.824 3.305 20 5 DGBDMO CO[C@@]1(C)CCC[N@H+](Cc2cc([N+](=O)[O-])ccc2OC(C)C)C1 ZINC000330959596 533025590 /nfs/dbraw/zinc/02/55/90/533025590.db2.gz AYGHDEGWUKISNE-KRWDZBQOSA-N 1 1 322.405 3.383 20 5 DGBDMO CO[C@@]1(C)CCC[N@@H+](Cc2cc([N+](=O)[O-])ccc2OC(C)C)C1 ZINC000330959596 533025596 /nfs/dbraw/zinc/02/55/96/533025596.db2.gz AYGHDEGWUKISNE-KRWDZBQOSA-N 1 1 322.405 3.383 20 5 DGBDMO C[C@@H]1C[C@H](Nc2ccc([N+](=O)[O-])c3cccnc23)CC[N@H+]1C ZINC000336853245 253008071 /nfs/dbraw/zinc/00/80/71/253008071.db2.gz FYDZAXIFNNKISS-VXGBXAGGSA-N 1 1 300.362 3.038 20 5 DGBDMO O=[N+]([O-])c1c(N[C@@H]2CC[N@H+]3CCCC[C@@H]23)ccc2ncccc21 ZINC000264818033 285078533 /nfs/dbraw/zinc/07/85/33/285078533.db2.gz FSKWDAOUHOUXAX-ZBFHGGJFSA-N 1 1 312.373 3.182 20 5 DGBDMO COc1cc(NC[C@@H]2CCCC[N@H+]2C2CC2)c(F)cc1[N+](=O)[O-] ZINC000433792114 533033878 /nfs/dbraw/zinc/03/38/78/533033878.db2.gz GQIFMOJVMFKNMJ-LBPRGKRZSA-N 1 1 323.368 3.171 20 5 DGBDMO CC(C)[N@@H+](CCC(=O)Nc1ccccc1[N+](=O)[O-])CC1CCC1 ZINC000337451550 253118187 /nfs/dbraw/zinc/11/81/87/253118187.db2.gz FRNOJJRIRDWGCC-UHFFFAOYSA-N 1 1 319.405 3.434 20 5 DGBDMO CC1=CC[N@H+]([C@@H](C)c2nnc(-c3ccc([N+](=O)[O-])cc3)o2)CC1 ZINC000270328318 208398766 /nfs/dbraw/zinc/39/87/66/208398766.db2.gz LHPWTTPJSYRUCO-LBPRGKRZSA-N 1 1 314.345 3.358 20 5 DGBDMO CC1=CC[N@@H+]([C@@H](C)c2nnc(-c3ccc([N+](=O)[O-])cc3)o2)CC1 ZINC000270328318 208398771 /nfs/dbraw/zinc/39/87/71/208398771.db2.gz LHPWTTPJSYRUCO-LBPRGKRZSA-N 1 1 314.345 3.358 20 5 DGBDMO C[N@@H+](CCCO[C@@H]1CCCCO1)CCc1cccc([N+](=O)[O-])c1 ZINC000338373136 253275514 /nfs/dbraw/zinc/27/55/14/253275514.db2.gz INUNCDCLTIMBAH-QGZVFWFLSA-N 1 1 322.405 3.002 20 5 DGBDMO CCc1noc(C)c1C[N@@H+](C)CCc1cccc([N+](=O)[O-])c1 ZINC000338351578 253271039 /nfs/dbraw/zinc/27/10/39/253271039.db2.gz MFDBWUQCMGAJRD-UHFFFAOYSA-N 1 1 303.362 3.128 20 5 DGBDMO O=[N+]([O-])c1ccc(C[N@H+]2CC[C@]3(C2)OCc2ccccc23)cc1 ZINC000186441477 285114594 /nfs/dbraw/zinc/11/45/94/285114594.db2.gz ROPQYEWHUGUOSQ-GOSISDBHSA-N 1 1 310.353 3.226 20 5 DGBDMO Cc1[nH+]ccn1CCCNc1ccnc2c1cccc2[N+](=O)[O-] ZINC000338717426 253340451 /nfs/dbraw/zinc/34/04/51/253340451.db2.gz XYTVAFKHNVIPAB-UHFFFAOYSA-N 1 1 311.345 3.150 20 5 DGBDMO Cc1nc(N[C@@H](C)[C@H]2CCC[N@H+](C3CCC3)C2)ccc1[N+](=O)[O-] ZINC000272904185 210291010 /nfs/dbraw/zinc/29/10/10/210291010.db2.gz IZXZSJPNLMQBHQ-JSGCOSHPSA-N 1 1 318.421 3.363 20 5 DGBDMO CCCn1cc[nH+]c1CCCN(C)c1c(F)cccc1[N+](=O)[O-] ZINC000343214679 254115671 /nfs/dbraw/zinc/11/56/71/254115671.db2.gz JPWYXAAMVCFZBF-UHFFFAOYSA-N 1 1 320.368 3.409 20 5 DGBDMO C[C@H]1[C@H](Nc2ccc([N+](=O)[O-])c3cccnc23)CCC[N@H+]1C ZINC000343476884 254149664 /nfs/dbraw/zinc/14/96/64/254149664.db2.gz OLJBYVQUZQMJRD-WCQYABFASA-N 1 1 300.362 3.038 20 5 DGBDMO CCC[N@H+]1CCC[C@@H]1CNc1ccc2ncccc2c1[N+](=O)[O-] ZINC000343960650 254206857 /nfs/dbraw/zinc/20/68/57/254206857.db2.gz MMLCUWVIIUJUJU-CYBMUJFWSA-N 1 1 314.389 3.429 20 5 DGBDMO CC[C@H](C)C[N@@H+](CC)[C@H]1CCN(c2cccc([N+](=O)[O-])c2)C1=O ZINC000343676489 254175875 /nfs/dbraw/zinc/17/58/75/254175875.db2.gz AHTHOWWKEDROPD-BBRMVZONSA-N 1 1 319.405 3.068 20 5 DGBDMO Cc1ccc([N+](=O)[O-])cc1[C@H](C)N1CCC[N@H+](C(C)C)CC1 ZINC000344221302 254241207 /nfs/dbraw/zinc/24/12/07/254241207.db2.gz PMJZNMLVRYACHA-HNNXBMFYSA-N 1 1 305.422 3.380 20 5 DGBDMO C[C@H](C(=O)Nc1cccc([N+](=O)[O-])c1)[N@H+]1CCC[C@@H](C2CC2)C1 ZINC000343993509 254210940 /nfs/dbraw/zinc/21/09/40/254210940.db2.gz OJUCGVVCGJARDX-TZMCWYRMSA-N 1 1 317.389 3.044 20 5 DGBDMO C[N@@H+](Cc1ccc(Cl)c([N+](=O)[O-])c1)C1CCC(CO)CC1 ZINC000120338870 195146543 /nfs/dbraw/zinc/14/65/43/195146543.db2.gz GAPMHZRAXWUDDX-UHFFFAOYSA-N 1 1 312.797 3.231 20 5 DGBDMO CC1(C)C[N@@H+](CCc2ccc([N+](=O)[O-])cc2)[C@@H]1[C@H]1CCCO1 ZINC000289803770 221236810 /nfs/dbraw/zinc/23/68/10/221236810.db2.gz NWTBPSOBVDRTCC-HZPDHXFCSA-N 1 1 304.390 3.027 20 5 DGBDMO C/C(=C/c1cccc([N+](=O)[O-])c1)CN1CC[N@@H+](C)[C@@H](C(C)C)C1 ZINC000488570578 533382748 /nfs/dbraw/zinc/38/27/48/533382748.db2.gz DLAOHXHCCWAFDA-QWSHFYNQSA-N 1 1 317.433 3.270 20 5 DGBDMO C/C(=C\c1cccc([N+](=O)[O-])c1)C[N@@H+](C)C[C@@H]1CCCC[C@@H]1O ZINC000470210213 533406302 /nfs/dbraw/zinc/40/63/02/533406302.db2.gz AFGQMWHBZMMULZ-WJANQJKRSA-N 1 1 318.417 3.481 20 5 DGBDMO C/C(=C\c1cccc([N+](=O)[O-])c1)CNC[C@@H](C)C[NH+]1CCCC1 ZINC000468654497 533409306 /nfs/dbraw/zinc/40/93/06/533409306.db2.gz YHKUJIKMLACUKA-AAGJOFLKSA-N 1 1 317.433 3.320 20 5 DGBDMO C[C@@H]([NH2+]Cc1nc2cc([N+](=O)[O-])ccc2[nH]1)c1cccc(O)c1 ZINC000444690011 533470769 /nfs/dbraw/zinc/47/07/69/533470769.db2.gz QOFLAMOWWPDLKZ-SNVBAGLBSA-N 1 1 312.329 3.028 20 5 DGBDMO Cc1n[nH]c(C)c1[C@@H]1CCC[N@@H+]1Cc1ccc([N+](=O)[O-])cc1F ZINC000091080395 400092947 /nfs/dbraw/zinc/09/29/47/400092947.db2.gz UZCJAELUSFNTOR-HNNXBMFYSA-N 1 1 318.352 3.411 20 5 DGBDMO Cc1n[nH]c(C)c1[C@@H]1CCC[N@H+]1Cc1ccc([N+](=O)[O-])cc1F ZINC000091080395 400092949 /nfs/dbraw/zinc/09/29/49/400092949.db2.gz UZCJAELUSFNTOR-HNNXBMFYSA-N 1 1 318.352 3.411 20 5 DGBDMO COc1cc([N+](=O)[O-])ccc1[C@@H](C)N[C@@H]1CC[N@H+](C(C)(C)C)C1 ZINC000595056568 400093291 /nfs/dbraw/zinc/09/32/91/400093291.db2.gz MIBKTMMGCBCJRO-CHWSQXEVSA-N 1 1 321.421 3.127 20 5 DGBDMO COc1cc([N+](=O)[O-])ccc1[C@@H](C)[NH2+][C@@H]1CCN(C(C)(C)C)C1 ZINC000595056568 400093299 /nfs/dbraw/zinc/09/32/99/400093299.db2.gz MIBKTMMGCBCJRO-CHWSQXEVSA-N 1 1 321.421 3.127 20 5 DGBDMO C[C@@H]([NH2+][C@H]1CCCCc2ccc([N+](=O)[O-])cc21)c1nccn1C ZINC000595105356 400108106 /nfs/dbraw/zinc/10/81/06/400108106.db2.gz DTBXGPUULMWRIT-WBMJQRKESA-N 1 1 314.389 3.447 20 5 DGBDMO O=[N+]([O-])c1ccc(OCC[N@H+]2CC[C@H](c3ccco3)C2)cc1 ZINC000609540444 400174425 /nfs/dbraw/zinc/17/44/25/400174425.db2.gz XTWPTVRRDBZXPD-ZDUSSCGKSA-N 1 1 302.330 3.056 20 5 DGBDMO Cc1c(C[NH2+]Cc2nn(C)c3ccccc23)cccc1[N+](=O)[O-] ZINC000323244792 400176228 /nfs/dbraw/zinc/17/62/28/400176228.db2.gz FCYZEWAYRJNFLL-UHFFFAOYSA-N 1 1 310.357 3.080 20 5 DGBDMO O=[N+]([O-])c1ccccc1-c1ccc(C[N@@H+](CCO)CC2CC2)o1 ZINC000092506003 400178083 /nfs/dbraw/zinc/17/80/83/400178083.db2.gz QGYHCQPTKZHZJX-UHFFFAOYSA-N 1 1 316.357 3.059 20 5 DGBDMO CC[N@H+]1CCCN(Cc2ccc([N+](=O)[O-])cc2Cl)[C@H](C)C1 ZINC000595536184 400178937 /nfs/dbraw/zinc/17/89/37/400178937.db2.gz OJYNVNMBUICAPR-GFCCVEGCSA-N 1 1 311.813 3.164 20 5 DGBDMO C[C@@H]1CCCC[N@H+]1C[C@H]1CCCN(c2cccnc2[N+](=O)[O-])C1 ZINC000609613664 400181666 /nfs/dbraw/zinc/18/16/66/400181666.db2.gz HCWHKMVZYLQRDH-HUUCEWRRSA-N 1 1 318.421 3.081 20 5 DGBDMO C[N@@H+]1CCN(c2sccc2[N+](=O)[O-])C[C@H]1Cc1ccccc1 ZINC000588053676 400184117 /nfs/dbraw/zinc/18/41/17/400184117.db2.gz UBNNRKAFRLLLQI-CQSZACIVSA-N 1 1 317.414 3.019 20 5 DGBDMO C[N@H+]1CCN(c2sccc2[N+](=O)[O-])C[C@H]1Cc1ccccc1 ZINC000588053676 400184120 /nfs/dbraw/zinc/18/41/20/400184120.db2.gz UBNNRKAFRLLLQI-CQSZACIVSA-N 1 1 317.414 3.019 20 5 DGBDMO Cc1c(C[N@H+](C[C@@H](C)O)C2CCCCC2)cccc1[N+](=O)[O-] ZINC000608869027 400129021 /nfs/dbraw/zinc/12/90/21/400129021.db2.gz LGEPUMJUESQBNM-CYBMUJFWSA-N 1 1 306.406 3.419 20 5 DGBDMO C[C@H]1CC[N@H+](Cc2ccc(F)cc2[N+](=O)[O-])C[C@H]1n1ccnc1 ZINC000595396187 400139779 /nfs/dbraw/zinc/13/97/79/400139779.db2.gz YYPOWEAJPQFWKP-BLLLJJGKSA-N 1 1 318.352 3.014 20 5 DGBDMO C[C@H]1CC[N@@H+](Cc2ccc(F)cc2[N+](=O)[O-])C[C@H]1n1ccnc1 ZINC000595396187 400139782 /nfs/dbraw/zinc/13/97/82/400139782.db2.gz YYPOWEAJPQFWKP-BLLLJJGKSA-N 1 1 318.352 3.014 20 5 DGBDMO O=[N+]([O-])c1cc(F)ccc1C[N@H+]1CCC[C@@H]1C1CCOCC1 ZINC000595423947 400145962 /nfs/dbraw/zinc/14/59/62/400145962.db2.gz SZPHWMRZWKVQBT-OAHLLOKOSA-N 1 1 308.353 3.125 20 5 DGBDMO Cc1noc(C[N@@H+](C)[C@H](C)Cc2ccccc2C)c1[N+](=O)[O-] ZINC000595459987 400157554 /nfs/dbraw/zinc/15/75/54/400157554.db2.gz BSVLCVIJBVPSCE-GFCCVEGCSA-N 1 1 303.362 3.263 20 5 DGBDMO Cc1noc(C[N@H+](C)[C@H](C)Cc2ccccc2C)c1[N+](=O)[O-] ZINC000595459987 400157558 /nfs/dbraw/zinc/15/75/58/400157558.db2.gz BSVLCVIJBVPSCE-GFCCVEGCSA-N 1 1 303.362 3.263 20 5 DGBDMO COc1ccc(C[N@H+](C)Cc2ccccc2[N+](=O)[O-])cc1OC ZINC000015298037 400163131 /nfs/dbraw/zinc/16/31/31/400163131.db2.gz ADUPQICYGQASOM-UHFFFAOYSA-N 1 1 316.357 3.244 20 5 DGBDMO COc1ccc(C[N@@H+](C)Cc2ccccc2[N+](=O)[O-])cc1OC ZINC000015298037 400163137 /nfs/dbraw/zinc/16/31/37/400163137.db2.gz ADUPQICYGQASOM-UHFFFAOYSA-N 1 1 316.357 3.244 20 5 DGBDMO C[C@H]1CN(c2cc[nH+]c3ccc([N+](=O)[O-])cc32)CC(C)(C)O1 ZINC000601108159 400235307 /nfs/dbraw/zinc/23/53/07/400235307.db2.gz GXWSXFKFUMSUPS-NSHDSACASA-N 1 1 301.346 3.147 20 5 DGBDMO CC[C@H]1CN(c2cc[nH+]c3ccc([N+](=O)[O-])cc32)C[C@@H](C)O1 ZINC000601116863 400237681 /nfs/dbraw/zinc/23/76/81/400237681.db2.gz ZJEFZCRCZQSRON-YPMHNXCESA-N 1 1 301.346 3.147 20 5 DGBDMO COCC1CCN(c2cc[nH+]c3ccc([N+](=O)[O-])cc32)CC1 ZINC000601116284 400237982 /nfs/dbraw/zinc/23/79/82/400237982.db2.gz KQMVHMKFVKXYIU-UHFFFAOYSA-N 1 1 301.346 3.006 20 5 DGBDMO CN(CC1CCOCC1)c1cc[nH+]c2ccc([N+](=O)[O-])cc21 ZINC000601135900 400244280 /nfs/dbraw/zinc/24/42/80/400244280.db2.gz LCQJFOPWEPHJQR-UHFFFAOYSA-N 1 1 301.346 3.006 20 5 DGBDMO O=[N+]([O-])c1ccc2[nH+]ccc(N[C@@H]3CCOC4(CCC4)C3)c2c1 ZINC000601132017 400244401 /nfs/dbraw/zinc/24/44/01/400244401.db2.gz VJPDSFLGUYIRND-GFCCVEGCSA-N 1 1 313.357 3.079 20 5 DGBDMO O=[N+]([O-])c1cc(F)ccc1C[N@H+]1CCC[C@@H]1[C@H]1CCCOC1 ZINC000595563824 400189804 /nfs/dbraw/zinc/18/98/04/400189804.db2.gz ULDJDTRIAYGANQ-DZGCQCFKSA-N 1 1 308.353 3.125 20 5 DGBDMO O=[N+]([O-])c1ccc2[nH+]ccc(N3CCC[C@@H]3[C@H]3CCCO3)c2c1 ZINC000601161230 400253745 /nfs/dbraw/zinc/25/37/45/400253745.db2.gz FFOILMRPGHZUBT-IAGOWNOFSA-N 1 1 313.357 3.291 20 5 DGBDMO CCc1nocc1CN(C)c1cc[nH+]c2ccc([N+](=O)[O-])cc21 ZINC000601169221 400254554 /nfs/dbraw/zinc/25/45/54/400254554.db2.gz JCGSMXZVXLZYMB-UHFFFAOYSA-N 1 1 312.329 3.330 20 5 DGBDMO CN(c1ccccc1)[C@@H]1CC[N@H+](Cc2csc([N+](=O)[O-])c2)C1 ZINC000595825247 400271258 /nfs/dbraw/zinc/27/12/58/400271258.db2.gz DHHWLYUTWKWGSQ-OAHLLOKOSA-N 1 1 317.414 3.367 20 5 DGBDMO CN(c1ccccc1)[C@@H]1CC[N@@H+](Cc2csc([N+](=O)[O-])c2)C1 ZINC000595825247 400271260 /nfs/dbraw/zinc/27/12/60/400271260.db2.gz DHHWLYUTWKWGSQ-OAHLLOKOSA-N 1 1 317.414 3.367 20 5 DGBDMO O=[N+]([O-])c1cc(F)ccc1C[N@@H+]1CC[C@@H](Oc2ccccc2)C1 ZINC000595832255 400273798 /nfs/dbraw/zinc/27/37/98/400273798.db2.gz VGXMAMFBJBOITA-MRXNPFEDSA-N 1 1 316.332 3.387 20 5 DGBDMO O=[N+]([O-])c1cc(F)ccc1C[N@H+]1CC[C@@H](Oc2ccccc2)C1 ZINC000595832255 400273804 /nfs/dbraw/zinc/27/38/04/400273804.db2.gz VGXMAMFBJBOITA-MRXNPFEDSA-N 1 1 316.332 3.387 20 5 DGBDMO C[C@@H]1C[N@@H+](C)CC[C@H]1N(C)Cc1ccc([N+](=O)[O-])cc1Cl ZINC000589206404 400276870 /nfs/dbraw/zinc/27/68/70/400276870.db2.gz VSWGIQPDMCPMLT-IAQYHMDHSA-N 1 1 311.813 3.020 20 5 DGBDMO C[C@H]1C[N@@H+](C)CC[C@@H]1N(C)Cc1ccc([N+](=O)[O-])cc1Cl ZINC000589206406 400277028 /nfs/dbraw/zinc/27/70/28/400277028.db2.gz VSWGIQPDMCPMLT-NHYWBVRUSA-N 1 1 311.813 3.020 20 5 DGBDMO COc1ccc([N+](=O)[O-])cc1C[NH2+][C@@H]1CCCc2ncccc21 ZINC000601267634 400278370 /nfs/dbraw/zinc/27/83/70/400278370.db2.gz OYSPUCMJSPEDID-MRXNPFEDSA-N 1 1 313.357 3.166 20 5 DGBDMO Cc1noc(C[N@@H+](C)C[C@@H]2CCc3ccccc32)c1[N+](=O)[O-] ZINC000595881512 400286539 /nfs/dbraw/zinc/28/65/39/400286539.db2.gz SYRIIMFZSDVYQR-ZDUSSCGKSA-N 1 1 301.346 3.053 20 5 DGBDMO Cc1c(C[N@@H+]2C[C@]34COC[C@@]3(C2)CCCC4)cccc1[N+](=O)[O-] ZINC000595904288 400290517 /nfs/dbraw/zinc/29/05/17/400290517.db2.gz CHTDRTPOEYCEKJ-HDICACEKSA-N 1 1 316.401 3.296 20 5 DGBDMO C[N@H+](Cc1nc(-c2ccc([N+](=O)[O-])cc2)no1)C[C@@H]1CC1(C)C ZINC000595908122 400291867 /nfs/dbraw/zinc/29/18/67/400291867.db2.gz GBXWCVJAVRPMTE-LBPRGKRZSA-N 1 1 316.361 3.123 20 5 DGBDMO O=[N+]([O-])c1cc(C[N@@H+]2C[C@]34COC[C@@]3(C2)CCCC4)cs1 ZINC000595905553 400292585 /nfs/dbraw/zinc/29/25/85/400292585.db2.gz VJHUICZRGRQBMU-GASCZTMLSA-N 1 1 308.403 3.049 20 5 DGBDMO C[C@H](NC[C@@H]1CCC[N@@H+](CC2CC2)C1)c1cccc([N+](=O)[O-])c1 ZINC000596094296 400315302 /nfs/dbraw/zinc/31/53/02/400315302.db2.gz JRYFJXFPWMMJBU-HOCLYGCPSA-N 1 1 317.433 3.367 20 5 DGBDMO CC[C@@H]1CCC[N@H+]([C@@H](C)C(=O)Nc2cccc([N+](=O)[O-])c2)C1 ZINC000030142143 400320858 /nfs/dbraw/zinc/32/08/58/400320858.db2.gz NCNSCXUYQSVJSK-QWHCGFSZSA-N 1 1 305.378 3.044 20 5 DGBDMO CC[C@@H]1C[N@@H+](C)CCCN1c1ccc([N+](=O)[O-])c2cnccc21 ZINC000601191098 400259081 /nfs/dbraw/zinc/25/90/81/400259081.db2.gz HUJMJLVDQPGGGX-CYBMUJFWSA-N 1 1 314.389 3.064 20 5 DGBDMO CC[C@@H]1CCC[N@H+]([C@@H](C)C(=O)Nc2ccccc2[N+](=O)[O-])C1 ZINC000030142739 400321395 /nfs/dbraw/zinc/32/13/95/400321395.db2.gz ILOIKOXPQIDPRE-QWHCGFSZSA-N 1 1 305.378 3.044 20 5 DGBDMO O=[N+]([O-])c1cccc(C[N@H+]2CCC[C@@H]([C@H]3CCCCO3)C2)c1 ZINC000595787663 400260172 /nfs/dbraw/zinc/26/01/72/400260172.db2.gz FTURQROTMVNNIN-NVXWUHKLSA-N 1 1 304.390 3.376 20 5 DGBDMO O=[N+]([O-])c1cccc(F)c1C[N@H+]1CCC[C@@H](C[C@@H]2CCOC2)C1 ZINC000611350082 400382590 /nfs/dbraw/zinc/38/25/90/400382590.db2.gz ATIXNIHRQZEVMY-KBPBESRZSA-N 1 1 322.380 3.373 20 5 DGBDMO CC[C@@H](CSC)[N@@H+](C)CCCOc1ccc([N+](=O)[O-])cc1 ZINC000611350703 400383463 /nfs/dbraw/zinc/38/34/63/400383463.db2.gz QUEGQIDPTIXTOW-ZDUSSCGKSA-N 1 1 312.435 3.437 20 5 DGBDMO CCOc1cc(N[C@H]2CC[N@H+](C(C)(C)C)C2)ccc1[N+](=O)[O-] ZINC000596334564 400383657 /nfs/dbraw/zinc/38/36/57/400383657.db2.gz CGOHSBZBDKPHDO-ZDUSSCGKSA-N 1 1 307.394 3.278 20 5 DGBDMO CC(C)(C)[N@H+]1CC[C@H](Nc2nccc3c2cccc3[N+](=O)[O-])C1 ZINC000596337429 400384619 /nfs/dbraw/zinc/38/46/19/400384619.db2.gz XGVJXFRMBDYATC-LBPRGKRZSA-N 1 1 314.389 3.428 20 5 DGBDMO CC(C)(C)[N@H+]1CC[C@H](Nc2ccc([N+](=O)[O-])c3cccnc23)C1 ZINC000596337387 400384717 /nfs/dbraw/zinc/38/47/17/400384717.db2.gz WFTYVJCFNHBEDW-LBPRGKRZSA-N 1 1 314.389 3.428 20 5 DGBDMO COc1cc(C[NH+]2CCC(C3CC3)CC2)c([N+](=O)[O-])cc1F ZINC000590008650 400346977 /nfs/dbraw/zinc/34/69/77/400346977.db2.gz OFRYXFDWPHOGNG-UHFFFAOYSA-N 1 1 308.353 3.365 20 5 DGBDMO O=C(C[N@H+]1CCCC12CCCCC2)Nc1ccccc1[N+](=O)[O-] ZINC000611153879 400351703 /nfs/dbraw/zinc/35/17/03/400351703.db2.gz GXVHNEIDKKARFR-UHFFFAOYSA-N 1 1 317.389 3.332 20 5 DGBDMO Cc1cc([N+](=O)[O-])ccc1NC(=O)C[N@H+]1CCC[C@H]1C(C)(C)C ZINC000072608913 400392902 /nfs/dbraw/zinc/39/29/02/400392902.db2.gz COTNGBATEMXFMN-HNNXBMFYSA-N 1 1 319.405 3.352 20 5 DGBDMO Cc1cc(N2CC[N@H+](C3CCC3)C[C@H](C)C2)c([N+](=O)[O-])s1 ZINC000596241220 400358907 /nfs/dbraw/zinc/35/89/07/400358907.db2.gz PHBPCUUEJVZZKM-NSHDSACASA-N 1 1 309.435 3.275 20 5 DGBDMO CC(=O)c1cc([N+](=O)[O-])ccc1OC[C@H]1CCCC[N@@H+]1C(C)C ZINC000596264866 400365932 /nfs/dbraw/zinc/36/59/32/400365932.db2.gz NBRNCLSMHVJMBF-OAHLLOKOSA-N 1 1 320.389 3.439 20 5 DGBDMO O=[N+]([O-])c1cc2c(cc1C[N@H+]1CCC[C@@H]3CCC[C@@H]31)OCCO2 ZINC000611265441 400367739 /nfs/dbraw/zinc/36/77/39/400367739.db2.gz OOWUYECVGBKSLV-JSGCOSHPSA-N 1 1 318.373 3.131 20 5 DGBDMO Cc1ccc(C[N@H+]2CCc3ccc(O)cc3CC2)cc1[N+](=O)[O-] ZINC000611266585 400367830 /nfs/dbraw/zinc/36/78/30/400367830.db2.gz GKDUOILMWJVFAI-UHFFFAOYSA-N 1 1 312.369 3.210 20 5 DGBDMO CC(C)(C)[N@H+]1CC[C@H]1CNc1ccc([N+](=O)[O-])c2cnccc12 ZINC000596305789 400374826 /nfs/dbraw/zinc/37/48/26/400374826.db2.gz ALTOTNIGAVGGKD-LBPRGKRZSA-N 1 1 314.389 3.428 20 5 DGBDMO CC(C)(C)[N@H+]1CC[C@@H]1CNc1nccc2c1cccc2[N+](=O)[O-] ZINC000596309262 400376841 /nfs/dbraw/zinc/37/68/41/400376841.db2.gz RDQBPOFLLSRVIU-GFCCVEGCSA-N 1 1 314.389 3.428 20 5 DGBDMO CC(C)(C)[N@H+]1CC[C@@H]1CNc1ccnc2cc([N+](=O)[O-])ccc21 ZINC000596309574 400376996 /nfs/dbraw/zinc/37/69/96/400376996.db2.gz VVXUNMKISFCEQQ-CYBMUJFWSA-N 1 1 314.389 3.428 20 5 DGBDMO Cc1[nH]ncc1[C@@H](C)[NH2+]CCc1ccc(Cl)cc1[N+](=O)[O-] ZINC000611522217 400415432 /nfs/dbraw/zinc/41/54/32/400415432.db2.gz ZRBOWIVNDSVKKM-SECBINFHSA-N 1 1 308.769 3.173 20 5 DGBDMO Cn1ccnc1[C@H]([NH2+]C(C)(C)c1ccc([N+](=O)[O-])cc1)C1CC1 ZINC000602610226 400510833 /nfs/dbraw/zinc/51/08/33/400510833.db2.gz HAVSJEWVYDPORB-OAHLLOKOSA-N 1 1 314.389 3.304 20 5 DGBDMO CC[N@H+](CCOC)Cc1ccc(C(F)(F)F)cc1[N+](=O)[O-] ZINC000602442809 400464307 /nfs/dbraw/zinc/46/43/07/400464307.db2.gz XQWYKFZQSUFRDW-UHFFFAOYSA-N 1 1 306.284 3.082 20 5 DGBDMO CC[N@@H+](CCOC)Cc1ccc(C(F)(F)F)cc1[N+](=O)[O-] ZINC000602442809 400464314 /nfs/dbraw/zinc/46/43/14/400464314.db2.gz XQWYKFZQSUFRDW-UHFFFAOYSA-N 1 1 306.284 3.082 20 5 DGBDMO O=[N+]([O-])c1ccc2[nH]c(C[N@H+]3CC[C@@H](C4CCC4)C3)nc2c1 ZINC000591063181 400481111 /nfs/dbraw/zinc/48/11/11/400481111.db2.gz ITNJYJFGTAUOTD-GFCCVEGCSA-N 1 1 300.362 3.093 20 5 DGBDMO O=[N+]([O-])c1ccc2oc(C[NH2+]CCOC3CCCCC3)nc2c1 ZINC000602533876 400490696 /nfs/dbraw/zinc/49/06/96/400490696.db2.gz YYBNRSIAFWZECO-UHFFFAOYSA-N 1 1 319.361 3.175 20 5 DGBDMO Cc1ncc([N+](=O)[O-])n1CC[N@@H+]1CC[C@@H]1c1ccc(Cl)cc1 ZINC000602778541 400570148 /nfs/dbraw/zinc/57/01/48/400570148.db2.gz LYUYVYUCEHWTNL-CQSZACIVSA-N 1 1 320.780 3.200 20 5 DGBDMO Cc1ncc([N+](=O)[O-])n1CC[N@H+]1CC[C@@H]1c1ccc(Cl)cc1 ZINC000602778541 400570152 /nfs/dbraw/zinc/57/01/52/400570152.db2.gz LYUYVYUCEHWTNL-CQSZACIVSA-N 1 1 320.780 3.200 20 5 DGBDMO CC(C)([NH2+]Cc1cccc(F)c1N)c1ccccc1[N+](=O)[O-] ZINC000602673197 400534012 /nfs/dbraw/zinc/53/40/12/400534012.db2.gz PMXGGUMJVVKWCB-UHFFFAOYSA-N 1 1 303.337 3.341 20 5 DGBDMO CCC(C)(C)OCC[NH2+]Cc1nc2cc([N+](=O)[O-])ccc2o1 ZINC000602691108 400540703 /nfs/dbraw/zinc/54/07/03/400540703.db2.gz VIBBWKDKXVYAPQ-UHFFFAOYSA-N 1 1 307.350 3.031 20 5 DGBDMO CC1(C)C[C@@H](N[C@H]2CCC[NH2+]CC2)c2cc([N+](=O)[O-])ccc21 ZINC000591578355 400541067 /nfs/dbraw/zinc/54/10/67/400541067.db2.gz WGXXGQVOFHWZEV-BLLLJJGKSA-N 1 1 303.406 3.049 20 5 DGBDMO Cc1ncc([N+](=O)[O-])n1CC[N@H+](C)[C@@H](C)c1ccc(C)cc1 ZINC000602761266 400566593 /nfs/dbraw/zinc/56/65/93/400566593.db2.gz BFKFPMWCWOTTLD-ZDUSSCGKSA-N 1 1 302.378 3.101 20 5 DGBDMO C[N@@H+](Cc1ccc([N+](=O)[O-])cc1)[C@@H](CCO)c1ccccc1 ZINC000075897547 400619446 /nfs/dbraw/zinc/61/94/46/400619446.db2.gz PBHFGZVOJYTEDH-KRWDZBQOSA-N 1 1 300.358 3.150 20 5 DGBDMO CC[N@@H+](CCn1c(C)ncc1[N+](=O)[O-])[C@@H](C)Cc1ccsc1 ZINC000602813806 400582634 /nfs/dbraw/zinc/58/26/34/400582634.db2.gz ZIMNDYAVNJMCBQ-LBPRGKRZSA-N 1 1 322.434 3.114 20 5 DGBDMO CCCN(Cc1ccc([N+](=O)[O-])cc1Cl)[C@H]1CC[N@@H+](C)C1 ZINC000592520795 400662666 /nfs/dbraw/zinc/66/26/66/400662666.db2.gz SKKIZRLAZIQPCF-AWEZNQCLSA-N 1 1 311.813 3.164 20 5 DGBDMO Cc1ccc([N+](=O)[O-])cc1[C@H](C)N[C@H]1CC[N@H+](CC2CC2)C1 ZINC000157710946 400720505 /nfs/dbraw/zinc/72/05/05/400720505.db2.gz OBHDCGWKDVWICS-ZFWWWQNUSA-N 1 1 303.406 3.038 20 5 DGBDMO Cc1ccc([N+](=O)[O-])cc1[C@H](C)N[C@H]1CC[N@@H+](CC2CC2)C1 ZINC000157710946 400720510 /nfs/dbraw/zinc/72/05/10/400720510.db2.gz OBHDCGWKDVWICS-ZFWWWQNUSA-N 1 1 303.406 3.038 20 5 DGBDMO CC[N@@H+](CCOc1ccccc1[N+](=O)[O-])Cc1ccccc1 ZINC000603838174 400720521 /nfs/dbraw/zinc/72/05/21/400720521.db2.gz DEYIENPDRJTDAO-UHFFFAOYSA-N 1 1 300.358 3.496 20 5 DGBDMO CC(C)CC[N@@H+](C)Cc1nc(-c2cccc([N+](=O)[O-])c2)no1 ZINC000052246101 400725118 /nfs/dbraw/zinc/72/51/18/400725118.db2.gz POYFGFSBPUKQDY-UHFFFAOYSA-N 1 1 304.350 3.123 20 5 DGBDMO COc1ccccc1OCC[N@@H+](C)Cc1cccc([N+](=O)[O-])c1 ZINC000052452053 400732068 /nfs/dbraw/zinc/73/20/68/400732068.db2.gz ANICCKAXHJOVPP-UHFFFAOYSA-N 1 1 316.357 3.114 20 5 DGBDMO CC[N@@H+](CC(=O)Nc1cc([N+](=O)[O-])ccc1C)C1CCCC1 ZINC000052908463 400753598 /nfs/dbraw/zinc/75/35/98/400753598.db2.gz VFAGSUGRLISDDY-UHFFFAOYSA-N 1 1 305.378 3.106 20 5 DGBDMO C[N@@H+](CCC(=O)Nc1cccc([N+](=O)[O-])c1)C1CCCCC1 ZINC000171911518 400810621 /nfs/dbraw/zinc/81/06/21/400810621.db2.gz SGDAXRXWTDOVRZ-UHFFFAOYSA-N 1 1 305.378 3.188 20 5 DGBDMO CCOC(=O)CCC[N@@H+](Cc1ccc([N+](=O)[O-])cc1)C(C)C ZINC000171034273 400783148 /nfs/dbraw/zinc/78/31/48/400783148.db2.gz JTWBSOZGQRPPSN-UHFFFAOYSA-N 1 1 308.378 3.149 20 5 DGBDMO C[N@@H+](CCc1cccc([N+](=O)[O-])c1)Cc1cncc(Cl)c1 ZINC000598613219 400843702 /nfs/dbraw/zinc/84/37/02/400843702.db2.gz FZKBCOPLGQGYNS-UHFFFAOYSA-N 1 1 305.765 3.318 20 5 DGBDMO CC1(C)CC[C@H](CO)[N@H+](Cc2ccc(Cl)cc2[N+](=O)[O-])C1 ZINC000598649319 400849748 /nfs/dbraw/zinc/84/97/48/400849748.db2.gz TZKSBUFPVMCKTP-CYBMUJFWSA-N 1 1 312.797 3.231 20 5 DGBDMO CC1(C)CC[C@H](CO)[N@@H+](Cc2ccc(Cl)cc2[N+](=O)[O-])C1 ZINC000598649319 400849755 /nfs/dbraw/zinc/84/97/55/400849755.db2.gz TZKSBUFPVMCKTP-CYBMUJFWSA-N 1 1 312.797 3.231 20 5 DGBDMO CCOc1cncc(C[N@@H+](C)CCc2ccccc2[N+](=O)[O-])c1 ZINC000598671463 400854005 /nfs/dbraw/zinc/85/40/05/400854005.db2.gz CUYJQGMJJZHQSY-UHFFFAOYSA-N 1 1 315.373 3.063 20 5 DGBDMO O=[N+]([O-])c1cccc(F)c1C[N@H+]1CC[C@@H](c2ccncc2)C1 ZINC000593989816 400936607 /nfs/dbraw/zinc/93/66/07/400936607.db2.gz XAAJZDKTEMDJQA-CYBMUJFWSA-N 1 1 301.321 3.118 20 5 DGBDMO C[C@H](CCO)[N@@H+](C)Cc1ccc(-c2ccccc2[N+](=O)[O-])o1 ZINC000593695194 400893672 /nfs/dbraw/zinc/89/36/72/400893672.db2.gz YKXBDTILBZKSAE-GFCCVEGCSA-N 1 1 304.346 3.058 20 5 DGBDMO Cn1nc(C[N@@H+](C)CCc2cccc([N+](=O)[O-])c2)c2ccccc21 ZINC000619846233 400910305 /nfs/dbraw/zinc/91/03/05/400910305.db2.gz PXHODWZQGNJRMZ-UHFFFAOYSA-N 1 1 324.384 3.156 20 5 DGBDMO Cc1ccc([C@H](C)N[C@H]2CC[N@@H+](C)C(C)(C)C2)cc1[N+](=O)[O-] ZINC000598965668 400915321 /nfs/dbraw/zinc/91/53/21/400915321.db2.gz OIMKDHOYCBBUOU-ZFWWWQNUSA-N 1 1 305.422 3.427 20 5 DGBDMO Cc1ccc([C@H](C)[NH2+][C@H]2CCN(C)C(C)(C)C2)cc1[N+](=O)[O-] ZINC000598965668 400915340 /nfs/dbraw/zinc/91/53/40/400915340.db2.gz OIMKDHOYCBBUOU-ZFWWWQNUSA-N 1 1 305.422 3.427 20 5 DGBDMO COc1ccc([N+](=O)[O-])cc1C[N@@H+]1CCC[C@@H](OC2CCC2)C1 ZINC000594026218 400953231 /nfs/dbraw/zinc/95/32/31/400953231.db2.gz GMPLXAGJZFLKNJ-MRXNPFEDSA-N 1 1 320.389 3.137 20 5 DGBDMO COc1ccc([N+](=O)[O-])cc1C[N@H+]1CCC[C@@H](OC2CCC2)C1 ZINC000594026218 400953239 /nfs/dbraw/zinc/95/32/39/400953239.db2.gz GMPLXAGJZFLKNJ-MRXNPFEDSA-N 1 1 320.389 3.137 20 5 DGBDMO O=[N+]([O-])c1ccc(OCC[N@H+]2CCC[C@H](OC3CCC3)C2)cc1 ZINC000594027637 400953396 /nfs/dbraw/zinc/95/33/96/400953396.db2.gz XTTVNEOWOWDBBY-KRWDZBQOSA-N 1 1 320.389 3.007 20 5 DGBDMO Cc1ccc([N+](=O)[O-])cc1NC(=O)C[N@H+](C)C1CCC(C)CC1 ZINC000198202666 400929172 /nfs/dbraw/zinc/92/91/72/400929172.db2.gz DAOSCXOZDBEPRZ-UHFFFAOYSA-N 1 1 319.405 3.352 20 5 DGBDMO CC[C@@H]1CCCC[N@@H+]1CC(=O)Nc1c(C)cccc1[N+](=O)[O-] ZINC000198622932 400934084 /nfs/dbraw/zinc/93/40/84/400934084.db2.gz RZXIQRUBVRNHCD-CYBMUJFWSA-N 1 1 305.378 3.106 20 5 DGBDMO CC[C@@H]1CCCC[N@H+]1CC(=O)Nc1c(C)cccc1[N+](=O)[O-] ZINC000198622932 400934085 /nfs/dbraw/zinc/93/40/85/400934085.db2.gz RZXIQRUBVRNHCD-CYBMUJFWSA-N 1 1 305.378 3.106 20 5 DGBDMO COc1cc(NC[C@H]2CC[N@H+]2C2CCCC2)ccc1[N+](=O)[O-] ZINC000599165220 400981913 /nfs/dbraw/zinc/98/19/13/400981913.db2.gz NWMYFJXKKRWYSH-CQSZACIVSA-N 1 1 305.378 3.032 20 5 DGBDMO Cc1ccnc(NC[C@@H]2CC[N@H+]2C2CCCCC2)c1[N+](=O)[O-] ZINC000599127956 400969846 /nfs/dbraw/zinc/96/98/46/400969846.db2.gz RWEDOOFRDPGXPM-AWEZNQCLSA-N 1 1 304.394 3.117 20 5 DGBDMO COc1cc(NC[C@@H]2CC[N@H+]2C2CCCCC2)ccc1[N+](=O)[O-] ZINC000599127029 400970131 /nfs/dbraw/zinc/97/01/31/400970131.db2.gz MJIHJCCKBTUGLQ-HNNXBMFYSA-N 1 1 319.405 3.422 20 5 DGBDMO Cc1ccnc(NC[C@H]2CC[N@H+]2C2CCCCC2)c1[N+](=O)[O-] ZINC000599127957 400970499 /nfs/dbraw/zinc/97/04/99/400970499.db2.gz RWEDOOFRDPGXPM-CQSZACIVSA-N 1 1 304.394 3.117 20 5 DGBDMO C[C@@H]1C[NH+](Cc2c(F)cccc2[N+](=O)[O-])C[C@@H](C)C1(F)F ZINC000599514735 401064773 /nfs/dbraw/zinc/06/47/73/401064773.db2.gz ZERQWFFOBBZQEJ-NXEZZACHSA-N 1 1 302.296 3.457 20 5 DGBDMO Cc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@H+](C)C1CCCCC1 ZINC000060089770 401100764 /nfs/dbraw/zinc/10/07/64/401100764.db2.gz GWKOYJWSEXMNLF-UHFFFAOYSA-N 1 1 319.405 3.496 20 5 DGBDMO CN(C/C=C\c1ccccc1[N+](=O)[O-])CC[C@H]1CCCC[N@H+]1C ZINC000255020092 401101950 /nfs/dbraw/zinc/10/19/50/401101950.db2.gz GVFJOUPLDPHVNB-NBEHIINDSA-N 1 1 317.433 3.414 20 5 DGBDMO COc1cc(C[N@@H+]2CCC(F)(F)C[C@@H]2C)ccc1[N+](=O)[O-] ZINC000599621590 401094268 /nfs/dbraw/zinc/09/42/68/401094268.db2.gz BHMJNGPKQCXKSV-JTQLQIEISA-N 1 1 300.305 3.223 20 5 DGBDMO COc1cc(C[N@H+]2CCC(F)(F)C[C@@H]2C)ccc1[N+](=O)[O-] ZINC000599621590 401094270 /nfs/dbraw/zinc/09/42/70/401094270.db2.gz BHMJNGPKQCXKSV-JTQLQIEISA-N 1 1 300.305 3.223 20 5 DGBDMO Cc1ccc(C[N@H+]2CCC[C@@H]2[C@@H]2CCCC[C@H]2O)cc1[N+](=O)[O-] ZINC000281424385 401153545 /nfs/dbraw/zinc/15/35/45/401153545.db2.gz ZCIARNOGCKWANP-LZLYRXPVSA-N 1 1 318.417 3.419 20 5 DGBDMO CC[N@@H+](CCn1ccc([N+](=O)[O-])n1)[C@H](C)c1ccc(F)cc1 ZINC000358261229 286014137 /nfs/dbraw/zinc/01/41/37/286014137.db2.gz DMLZXVCQQWVIJG-GFCCVEGCSA-N 1 1 306.341 3.014 20 5 DGBDMO CC(C)([NH2+]Cc1ccnn1CC1CC1)c1ccccc1[N+](=O)[O-] ZINC000594945745 401202732 /nfs/dbraw/zinc/20/27/32/401202732.db2.gz WQXPSHQEKPJSCE-UHFFFAOYSA-N 1 1 314.389 3.226 20 5 DGBDMO O=[N+]([O-])c1ccc(CN[C@H]2CC[N@H+](C3CCCCC3)C2)c(F)c1 ZINC000594976387 401215585 /nfs/dbraw/zinc/21/55/85/401215585.db2.gz CIYLCUYZHSLGFM-AWEZNQCLSA-N 1 1 321.396 3.231 20 5 DGBDMO Cc1cccc(C[NH+]2CCN(c3ccc([N+](=O)[O-])s3)CC2)c1 ZINC000064029240 401227522 /nfs/dbraw/zinc/22/75/22/401227522.db2.gz IIHJKCSOQCTSSS-UHFFFAOYSA-N 1 1 317.414 3.287 20 5 DGBDMO COc1cc([N+](=O)[O-])ccc1[C@H](C)[NH2+]Cc1ccc(C)nc1 ZINC000595011265 401230826 /nfs/dbraw/zinc/23/08/26/401230826.db2.gz KXTJHVQQKTZFNM-LBPRGKRZSA-N 1 1 301.346 3.158 20 5 DGBDMO C[C@@H]1CCC[N@@H+](Cc2cc([N+](=O)[O-])cc3c2OCOC3)[C@H]1C ZINC000246645805 432152421 /nfs/dbraw/zinc/15/24/21/432152421.db2.gz IIURCGCEVILPDR-NEPJUHHUSA-N 1 1 306.362 3.082 20 5 DGBDMO COc1cccc(C2([NH2+]Cc3csc([N+](=O)[O-])c3)CC2)c1 ZINC000150896033 432199957 /nfs/dbraw/zinc/19/99/57/432199957.db2.gz SFYMZTUHTGDZOL-UHFFFAOYSA-N 1 1 304.371 3.444 20 5 DGBDMO C[C@@H](c1ccco1)[N@@H+](C[C@H](O)c1cccc([N+](=O)[O-])c1)C1CC1 ZINC000269660665 432192601 /nfs/dbraw/zinc/19/26/01/432192601.db2.gz QBMMGWZGWDRJKE-LRDDRELGSA-N 1 1 316.357 3.447 20 5 DGBDMO C[N@H+](Cc1cccc(Cl)c1)C[C@H](O)c1cccc([N+](=O)[O-])c1 ZINC000269675876 432195425 /nfs/dbraw/zinc/19/54/25/432195425.db2.gz CESXRBHDMMRXDI-INIZCTEOSA-N 1 1 320.776 3.414 20 5 DGBDMO CSCC[N@H+](C)[C@@H](C)c1nnc(-c2ccc([N+](=O)[O-])cc2)o1 ZINC000151153767 432224781 /nfs/dbraw/zinc/22/47/81/432224781.db2.gz KMHYPFJWMOZHQB-JTQLQIEISA-N 1 1 322.390 3.001 20 5 DGBDMO CSCC[N@@H+](C)[C@@H](C)c1nnc(-c2ccc([N+](=O)[O-])cc2)o1 ZINC000151153767 432224784 /nfs/dbraw/zinc/22/47/84/432224784.db2.gz KMHYPFJWMOZHQB-JTQLQIEISA-N 1 1 322.390 3.001 20 5 DGBDMO O=[N+]([O-])c1ccc2c(c1)C[N@@H+](Cc1ccc3c(c1)CCO3)CC2 ZINC000131492164 196174611 /nfs/dbraw/zinc/17/46/11/196174611.db2.gz CUQMVSRVAPAZOP-UHFFFAOYSA-N 1 1 310.353 3.088 20 5 DGBDMO O=[N+]([O-])c1ccc2c(c1)C[N@H+](Cc1ccc3c(c1)CCO3)CC2 ZINC000131492164 196174613 /nfs/dbraw/zinc/17/46/13/196174613.db2.gz CUQMVSRVAPAZOP-UHFFFAOYSA-N 1 1 310.353 3.088 20 5 DGBDMO CC[C@H](C)C[N@@H+](C)[C@H](C)C(=O)Nc1cccc([N+](=O)[O-])c1C ZINC000247416635 432228499 /nfs/dbraw/zinc/22/84/99/432228499.db2.gz DDPWYODPGUHJKP-WCQYABFASA-N 1 1 307.394 3.208 20 5 DGBDMO Cc1c(NC(=O)[C@@H](C)[N@@H+]2[C@H](C)CC[C@@H]2C)cccc1[N+](=O)[O-] ZINC000298156756 228386777 /nfs/dbraw/zinc/38/67/77/228386777.db2.gz DUEWVPGAHAWICX-NTZNESFSSA-N 1 1 305.378 3.103 20 5 DGBDMO Cc1[nH+]ccn1-c1ccc(CNc2ccc([N+](=O)[O-])cc2C)cn1 ZINC000301439077 229665879 /nfs/dbraw/zinc/66/58/79/229665879.db2.gz LNFMFCFAIYMVAD-UHFFFAOYSA-N 1 1 323.356 3.404 20 5 DGBDMO C[C@H](Nc1ccc([N+](=O)[O-])cn1)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC000302042842 230057037 /nfs/dbraw/zinc/05/70/37/230057037.db2.gz IYSFOTBKYONBNM-STQMWFEESA-N 1 1 304.394 3.055 20 5 DGBDMO COCc1cc([N+](=O)[O-])ccc1NCCCC[N@@H+](C)C1CC1 ZINC000413343648 230197287 /nfs/dbraw/zinc/19/72/87/230197287.db2.gz BMAYWSYYZZMCLP-UHFFFAOYSA-N 1 1 307.394 3.028 20 5 DGBDMO C[C@@H](c1ccccc1[N+](=O)[O-])[N@H+]1CC[C@H](Oc2ccncc2)C1 ZINC000347070198 264152036 /nfs/dbraw/zinc/15/20/36/264152036.db2.gz AAVZKIOMDDGLAR-ZFWWWQNUSA-N 1 1 313.357 3.204 20 5 DGBDMO C[C@H](CO)[N@@H+](Cc1ccc([N+](=O)[O-])cc1Cl)C1CCCC1 ZINC000347177422 264170482 /nfs/dbraw/zinc/17/04/82/264170482.db2.gz XEQTVYXVYAMOOR-LLVKDONJSA-N 1 1 312.797 3.374 20 5 DGBDMO C[C@H](CO)[N@H+](Cc1ccc([N+](=O)[O-])cc1Cl)CC1CCC1 ZINC000348286280 264382519 /nfs/dbraw/zinc/38/25/19/264382519.db2.gz YHEKGBQHKHLSNJ-LLVKDONJSA-N 1 1 312.797 3.231 20 5 DGBDMO C[N@@H+](Cc1ccc(-c2ccc([N+](=O)[O-])cc2)o1)[C@H]1CCC[C@H]1O ZINC000348559854 264428298 /nfs/dbraw/zinc/42/82/98/264428298.db2.gz UFWLPPHTOLGEFI-JKSUJKDBSA-N 1 1 316.357 3.200 20 5 DGBDMO CCCC[N@@H+](C)CCNc1ccc([N+](=O)[O-])c2cnccc12 ZINC000352316677 265001131 /nfs/dbraw/zinc/00/11/31/265001131.db2.gz WSXCEFUMQRJWMC-UHFFFAOYSA-N 1 1 302.378 3.287 20 5 DGBDMO C[C@H]1C[N@H+](C2CC2)C[C@H]1Nc1nc2ccccc2cc1[N+](=O)[O-] ZINC000352366252 265017735 /nfs/dbraw/zinc/01/77/35/265017735.db2.gz CNXVUCSOBBZTIV-XHDPSFHLSA-N 1 1 312.373 3.038 20 5 DGBDMO C[C@H]1CC[C@@H](c2ccccc2)[N@@H+](CCn2ccc([N+](=O)[O-])n2)C1 ZINC000352791832 265169941 /nfs/dbraw/zinc/16/99/41/265169941.db2.gz JGZOKBMKTSGASA-HOCLYGCPSA-N 1 1 314.389 3.265 20 5 DGBDMO CCc1ccc([N+](=O)[O-])cc1NC(=O)NCC[N@H+](CC)C(C)C ZINC000353917918 265596440 /nfs/dbraw/zinc/59/64/40/265596440.db2.gz WJCSABYKMBXTHH-UHFFFAOYSA-N 1 1 322.409 3.009 20 5 DGBDMO C[N@@H+](Cc1ccc(-c2ccccc2[N+](=O)[O-])o1)CC1(O)CCC1 ZINC000355364908 266052039 /nfs/dbraw/zinc/05/20/39/266052039.db2.gz FACIGJOPMUMOHI-UHFFFAOYSA-N 1 1 316.357 3.202 20 5 DGBDMO COc1cc(C[N@@H+]2CC(C)(C)[C@@H]2C2CC2)c([N+](=O)[O-])cc1OC ZINC000356297297 266345339 /nfs/dbraw/zinc/34/53/39/266345339.db2.gz OJFWKDQDRYFGFH-INIZCTEOSA-N 1 1 320.389 3.232 20 5 DGBDMO COc1cc(C[N@H+]2CC(C)(C)[C@@H]2C2CC2)c([N+](=O)[O-])cc1OC ZINC000356297297 266345343 /nfs/dbraw/zinc/34/53/43/266345343.db2.gz OJFWKDQDRYFGFH-INIZCTEOSA-N 1 1 320.389 3.232 20 5 DGBDMO O=[N+]([O-])c1ccc(CC[N@@H+]2CC=C(C(F)(F)F)CC2)cc1 ZINC000270375522 432238045 /nfs/dbraw/zinc/23/80/45/432238045.db2.gz ZZXZHQVRNDDRMY-UHFFFAOYSA-N 1 1 300.280 3.332 20 5 DGBDMO CC[N@@H+](C)CCNc1cc(C)c([N+](=O)[O-])cc1C(F)(F)F ZINC000359898085 271012588 /nfs/dbraw/zinc/01/25/88/271012588.db2.gz LTWSNACDRLVZAQ-UHFFFAOYSA-N 1 1 305.300 3.286 20 5 DGBDMO O=[N+]([O-])c1ccc(C[N@H+]2CC[C@@H](n3ncc4ccccc43)C2)cc1 ZINC000368002782 271109764 /nfs/dbraw/zinc/10/97/64/271109764.db2.gz UBSIUJBGESEOED-QGZVFWFLSA-N 1 1 322.368 3.392 20 5 DGBDMO CCOc1cccc(N[C@H]2CC[N@H+]3CCC[C@H]3C2)c1[N+](=O)[O-] ZINC000368601399 271177906 /nfs/dbraw/zinc/17/79/06/271177906.db2.gz FTMZTADAASZALC-STQMWFEESA-N 1 1 305.378 3.032 20 5 DGBDMO C[N@@H+](Cc1cc(Cl)ccc1[N+](=O)[O-])C1CCC(CO)CC1 ZINC000270504643 432252934 /nfs/dbraw/zinc/25/29/34/432252934.db2.gz ILNIQOKNLCJONW-UHFFFAOYSA-N 1 1 312.797 3.231 20 5 DGBDMO CO[C@H]1CC[N@@H+](Cc2cc(=O)oc3ccc4ccccc4c23)C1 ZINC000267773777 274080468 /nfs/dbraw/zinc/08/04/68/274080468.db2.gz GTQPYLNZTQGFPN-HNNXBMFYSA-N 1 1 309.365 3.167 20 5 DGBDMO COc1cc([N+](=O)[O-])ccc1C[N@H+]1CCS[C@H]2CCCC[C@@H]21 ZINC000430204623 274099797 /nfs/dbraw/zinc/09/97/97/274099797.db2.gz RWKHAHVDPAJZMP-HOCLYGCPSA-N 1 1 322.430 3.463 20 5 DGBDMO COc1ccc2c(c1)[C@H]([NH2+]Cc1ccccc1[N+](=O)[O-])CCO2 ZINC000320271457 274137004 /nfs/dbraw/zinc/13/70/04/274137004.db2.gz LZHPPZAPUMXPOU-OAHLLOKOSA-N 1 1 314.341 3.217 20 5 DGBDMO C[C@@H](Cc1ccccc1[N+](=O)[O-])N[C@H]1CC[N@@H+](C2CCCC2)C1 ZINC000449123208 274231760 /nfs/dbraw/zinc/23/17/60/274231760.db2.gz BNZFODZLUVYBPW-HOCLYGCPSA-N 1 1 317.433 3.132 20 5 DGBDMO C[C@@H](Cc1ccccc1[N+](=O)[O-])N[C@H]1CC[N@H+](C2CCCC2)C1 ZINC000449123208 274231763 /nfs/dbraw/zinc/23/17/63/274231763.db2.gz BNZFODZLUVYBPW-HOCLYGCPSA-N 1 1 317.433 3.132 20 5 DGBDMO C[C@H](N[C@H]1CC(C)(C)c2ccc([N+](=O)[O-])cc21)[C@H]1CCC[NH2+]C1 ZINC000423221524 274525096 /nfs/dbraw/zinc/52/50/96/274525096.db2.gz WXMDDNVRGAWLQZ-DCGLDWPTSA-N 1 1 317.433 3.295 20 5 DGBDMO Cc1ccc([N+](=O)[O-])c(N2CC[NH+](Cc3cccs3)CC2)c1 ZINC000301538560 274762546 /nfs/dbraw/zinc/76/25/46/274762546.db2.gz AXXKITGKNQWLRS-UHFFFAOYSA-N 1 1 317.414 3.287 20 5 DGBDMO O=[N+]([O-])c1c(N[C@H]2CC[N@H+]3CCCC[C@@H]23)ccc2ncccc21 ZINC000264818029 275032734 /nfs/dbraw/zinc/03/27/34/275032734.db2.gz FSKWDAOUHOUXAX-HOCLYGCPSA-N 1 1 312.373 3.182 20 5 DGBDMO CC(C)c1ccc(CN[C@@H](C)[C@H]2CCC[NH2+]C2)cc1[N+](=O)[O-] ZINC000414864464 275740990 /nfs/dbraw/zinc/74/09/90/275740990.db2.gz YPVMELXUKJJOOX-ZFWWWQNUSA-N 1 1 305.422 3.196 20 5 DGBDMO CC[N@H+]1C[C@@H](C)N(Cc2c(Cl)cccc2[N+](=O)[O-])C[C@H]1C ZINC000491975641 276241404 /nfs/dbraw/zinc/24/14/04/276241404.db2.gz DTNCNZQZELBEPJ-VXGBXAGGSA-N 1 1 311.813 3.163 20 5 DGBDMO COC(=O)[C@]1(C)CCC[N@H+]([C@H](C)c2cc([N+](=O)[O-])ccc2C)C1 ZINC000412058342 277144040 /nfs/dbraw/zinc/14/40/40/277144040.db2.gz AJYQUZGXXPGHJD-CXAGYDPISA-N 1 1 320.389 3.239 20 5 DGBDMO CC[N@@H+](C)C[C@H]1CCN([C@@H](C)c2cc([N+](=O)[O-])ccc2C)C1 ZINC000182827362 279040350 /nfs/dbraw/zinc/04/03/50/279040350.db2.gz KYSJMJIAVXXARN-LSDHHAIUSA-N 1 1 305.422 3.238 20 5 DGBDMO Cc1c(NC(=O)CC[N@@H+]2CCC[C@@H](C)CC2)cccc1[N+](=O)[O-] ZINC000068838165 431143511 /nfs/dbraw/zinc/14/35/11/431143511.db2.gz RLFQRPUOUGNJJE-CYBMUJFWSA-N 1 1 319.405 3.354 20 5 DGBDMO CC[N@@H+](CCNc1ccc2ncccc2c1[N+](=O)[O-])C(C)C ZINC000112079438 431245980 /nfs/dbraw/zinc/24/59/80/431245980.db2.gz MLRGLJUEMTYETG-UHFFFAOYSA-N 1 1 302.378 3.285 20 5 DGBDMO O=[N+]([O-])c1cc(C[N@H+]2CCC[C@@H]3CCC[C@@H]32)c2c(c1)COCO2 ZINC000075769326 431494910 /nfs/dbraw/zinc/49/49/10/431494910.db2.gz HEJJDICQZTZMRQ-LRDDRELGSA-N 1 1 318.373 3.226 20 5 DGBDMO Cc1cccc([N+](=O)[O-])c1NC(=O)C[N@@H+]1CCCC[C@H]1C(C)C ZINC000117349036 431560313 /nfs/dbraw/zinc/56/03/13/431560313.db2.gz ZSKCTUHQXDHLTR-AWEZNQCLSA-N 1 1 319.405 3.352 20 5 DGBDMO C[C@@H]1CCC[C@@H]([N@@H+](C)CC(=O)Nc2ccccc2[N+](=O)[O-])C1 ZINC000026468005 431674261 /nfs/dbraw/zinc/67/42/61/431674261.db2.gz LGXYSLZWAKHOQK-CHWSQXEVSA-N 1 1 305.378 3.044 20 5 DGBDMO Cc1ccc(C[N@H+]2CCC[C@H](c3cc[nH]n3)C2)cc1[N+](=O)[O-] ZINC000121205837 431754129 /nfs/dbraw/zinc/75/41/29/431754129.db2.gz XVSWGYHSMJEJSH-AWEZNQCLSA-N 1 1 300.362 3.006 20 5 DGBDMO Cc1c(NC(=O)CC[N@H+]2CCC3(CCC3)C2)cccc1[N+](=O)[O-] ZINC000123619842 431869749 /nfs/dbraw/zinc/86/97/49/431869749.db2.gz YBFULCXZKNGJDH-UHFFFAOYSA-N 1 1 317.389 3.108 20 5 DGBDMO C[C@@H](c1nnc(-c2ccc([N+](=O)[O-])cc2)o1)[N@@H+](C)CC1CC1 ZINC000053184502 431961722 /nfs/dbraw/zinc/96/17/22/431961722.db2.gz XPRISYKPFJEWTO-JTQLQIEISA-N 1 1 302.334 3.048 20 5 DGBDMO Cc1ccc([C@H]2C[C@@H](C)CC[N@H+]2CCn2ccc([N+](=O)[O-])n2)o1 ZINC000176286502 281004098 /nfs/dbraw/zinc/00/40/98/281004098.db2.gz QJZPFBJZPYNYED-GXTWGEPZSA-N 1 1 318.377 3.166 20 5 DGBDMO Cc1ccc([N+](=O)[O-])cc1[C@H](C)[N@H+]1CC[C@@H](n2cccn2)C1 ZINC000292001285 281021998 /nfs/dbraw/zinc/02/19/98/281021998.db2.gz XKEXKNIZADJLLC-DZGCQCFKSA-N 1 1 300.362 3.108 20 5 DGBDMO O=[N+]([O-])c1ccc(N[C@H]2CC[N@@H+](C/C=C/c3ccccc3)C2)nc1 ZINC000173467248 432280721 /nfs/dbraw/zinc/28/07/21/432280721.db2.gz PQJWJDSDHZHVPB-RRGWEWPQSA-N 1 1 324.384 3.189 20 5 DGBDMO C[C@H](c1nnc(-c2ccc([N+](=O)[O-])cc2)o1)[N@H+]1CC[C@@H](C)[C@@H]1C ZINC000248343668 432280904 /nfs/dbraw/zinc/28/09/04/432280904.db2.gz KPFUVMQPNUPCGJ-GRYCIOLGSA-N 1 1 316.361 3.436 20 5 DGBDMO CC(C)C[C@]1(CO)CCC[N@H+]1CCc1ccc([N+](=O)[O-])cc1 ZINC000191655086 432287832 /nfs/dbraw/zinc/28/78/32/432287832.db2.gz JFPBEJSYGIEPPP-KRWDZBQOSA-N 1 1 306.406 3.010 20 5 DGBDMO CC[C@@H](CN[C@H](C)c1cccc([N+](=O)[O-])c1C)[NH+]1CCCC1 ZINC000151687188 432266899 /nfs/dbraw/zinc/26/68/99/432266899.db2.gz NUSRVCAQXLNKQK-CABCVRRESA-N 1 1 305.422 3.428 20 5 DGBDMO Cc1ccc([N+](=O)[O-])cc1[C@H](C)NC[C@@H]1CC[N@@H+](C2CC2)C1 ZINC000152426979 432331797 /nfs/dbraw/zinc/33/17/97/432331797.db2.gz SQRNRFVDWRUYIO-KBPBESRZSA-N 1 1 303.406 3.038 20 5 DGBDMO Cc1ccc([N+](=O)[O-])cc1[C@H](C)NC[C@@H]1CC[N@H+](C2CC2)C1 ZINC000152426979 432331799 /nfs/dbraw/zinc/33/17/99/432331799.db2.gz SQRNRFVDWRUYIO-KBPBESRZSA-N 1 1 303.406 3.038 20 5 DGBDMO C[C@@H](C[N@@H+](C)CCOc1ccc([N+](=O)[O-])cc1)c1nccs1 ZINC000183934333 432336860 /nfs/dbraw/zinc/33/68/60/432336860.db2.gz PYTUVVMNDDODQJ-LBPRGKRZSA-N 1 1 321.402 3.166 20 5 DGBDMO C[C@@H](C[N@@H+](C)CCc1ccc([N+](=O)[O-])cc1)c1nccs1 ZINC000183995633 432344649 /nfs/dbraw/zinc/34/46/49/432344649.db2.gz KSJXSVYGGRILSA-LBPRGKRZSA-N 1 1 305.403 3.329 20 5 DGBDMO CO[C@H]1CC[N@@H+](Cc2ccc(-c3ccc([N+](=O)[O-])cc3)o2)C1 ZINC000271184214 432346257 /nfs/dbraw/zinc/34/62/57/432346257.db2.gz MFDYEDKIGNULGE-AWEZNQCLSA-N 1 1 302.330 3.076 20 5 DGBDMO Cc1cc(C)n(CC[N@@H+](Cc2ccc([N+](=O)[O-])cc2)C2CC2)n1 ZINC000270949780 432307520 /nfs/dbraw/zinc/30/75/20/432307520.db2.gz XASBQAFVHMEETN-UHFFFAOYSA-N 1 1 314.389 3.073 20 5 DGBDMO Cc1ccc([C@@H]2CCCC[N@H+]2CCn2cc([N+](=O)[O-])cn2)cc1 ZINC000174873994 432375302 /nfs/dbraw/zinc/37/53/02/432375302.db2.gz MQZCDKUIMXDRFT-KRWDZBQOSA-N 1 1 314.389 3.327 20 5 DGBDMO CC[C@@H]1CC[C@H](C)[N@H+]1Cc1nc(-c2ccc([N+](=O)[O-])cc2)no1 ZINC000271469497 432402572 /nfs/dbraw/zinc/40/25/72/432402572.db2.gz FYCKZVSMUHWYDQ-WCQYABFASA-N 1 1 316.361 3.408 20 5 DGBDMO CC[N@@H+](CC(C)C)[C@@H](C)C(=O)Nc1cccc([N+](=O)[O-])c1C ZINC000153770403 432440618 /nfs/dbraw/zinc/44/06/18/432440618.db2.gz GEHWLLTXWUCHGD-ZDUSSCGKSA-N 1 1 307.394 3.208 20 5 DGBDMO CCn1cc([C@@H](C)[NH2+]Cc2cc([N+](=O)[O-])ccc2Cl)cn1 ZINC000271531855 432416011 /nfs/dbraw/zinc/41/60/11/432416011.db2.gz SDDYVBRQUKRPSO-SNVBAGLBSA-N 1 1 308.769 3.315 20 5 DGBDMO Cn1ccnc1[C@@H]([NH2+]CC(C)(C)C)c1ccc([N+](=O)[O-])cc1 ZINC000272576468 432526522 /nfs/dbraw/zinc/52/65/22/432526522.db2.gz XGWSUKXBHIPQRR-AWEZNQCLSA-N 1 1 302.378 3.053 20 5 DGBDMO CC[N@@H+](CCNc1ccc([N+](=O)[O-])c2cnccc12)C1CC1 ZINC000263687498 432566553 /nfs/dbraw/zinc/56/65/53/432566553.db2.gz GKAILIDZQMFWAL-UHFFFAOYSA-N 1 1 300.362 3.039 20 5 DGBDMO COc1ccc(OC)c([C@H](C)[NH2+]Cc2ccccc2[N+](=O)[O-])c1 ZINC000194809268 432578429 /nfs/dbraw/zinc/57/84/29/432578429.db2.gz KAWLZCIEGHUSLW-LBPRGKRZSA-N 1 1 316.357 3.463 20 5 DGBDMO CCOC(=O)[C@]1(C(C)C)CC[N@@H+](Cc2cccc([N+](=O)[O-])c2)C1 ZINC000194871598 432582051 /nfs/dbraw/zinc/58/20/51/432582051.db2.gz XAHALWJIULMWOH-QGZVFWFLSA-N 1 1 320.389 3.006 20 5 DGBDMO COCC[C@H]([NH2+]Cc1cc([N+](=O)[O-])ccc1OC)c1ccco1 ZINC000273313420 432582338 /nfs/dbraw/zinc/58/23/38/432582338.db2.gz UYKUXEVRYZGPGN-AWEZNQCLSA-N 1 1 320.345 3.064 20 5 DGBDMO Cc1ccc([N+](=O)[O-])cc1[C@H](C)NCC[NH+]1CCC(C)CC1 ZINC000156003266 432586072 /nfs/dbraw/zinc/58/60/72/432586072.db2.gz OMMJCEQLRBEDJO-HNNXBMFYSA-N 1 1 305.422 3.286 20 5 DGBDMO CCC[C@@]1(COC)CCC[N@H+]1Cc1ccc(OC)c([N+](=O)[O-])c1 ZINC000194933584 432587438 /nfs/dbraw/zinc/58/74/38/432587438.db2.gz NZWQDYXFUMIXGT-KRWDZBQOSA-N 1 1 322.405 3.385 20 5 DGBDMO CC[C@@H]1C[N@H+](Cc2nc3cc([N+](=O)[O-])ccc3o2)CCS1 ZINC000177164838 432592974 /nfs/dbraw/zinc/59/29/74/432592974.db2.gz WBASHPPLBXUVES-LLVKDONJSA-N 1 1 307.375 3.063 20 5 DGBDMO CC[C@@H]1C[N@@H+](Cc2nc3cc([N+](=O)[O-])ccc3o2)CCS1 ZINC000177164838 432592976 /nfs/dbraw/zinc/59/29/76/432592976.db2.gz WBASHPPLBXUVES-LLVKDONJSA-N 1 1 307.375 3.063 20 5 DGBDMO COc1cc(C[N@@H+]2C[C@H](C)C[C@H](C)C2)c([N+](=O)[O-])cc1OC ZINC000158008682 432635223 /nfs/dbraw/zinc/63/52/23/432635223.db2.gz DEWUXUWVDRFZNP-TXEJJXNPSA-N 1 1 308.378 3.090 20 5 DGBDMO O=[N+]([O-])c1cc(C[N@@H+]2C[C@@H]3CCCC[C@@H]3C2)c2c(c1)COCO2 ZINC000177579725 432639941 /nfs/dbraw/zinc/63/99/41/432639941.db2.gz XPIOHDUQNRMSCM-BETUJISGSA-N 1 1 318.373 3.083 20 5 DGBDMO O=[N+]([O-])c1ccccc1-c1ccc(C[N@H+](CCO)C2CCC2)o1 ZINC000276039125 432768867 /nfs/dbraw/zinc/76/88/67/432768867.db2.gz QSMNEMJMBDVUOV-UHFFFAOYSA-N 1 1 316.357 3.202 20 5 DGBDMO COc1ccc([N+](=O)[O-])cc1C[NH2+][C@@H](C)c1cnn(C(C)C)c1 ZINC000178730386 432771095 /nfs/dbraw/zinc/77/10/95/432771095.db2.gz OUSJHJASSQOLDQ-LBPRGKRZSA-N 1 1 318.377 3.232 20 5 DGBDMO Cc1nc(NC[C@H]2CCC[N@H+](CC(C)C)C2)ccc1[N+](=O)[O-] ZINC000161313535 432772877 /nfs/dbraw/zinc/77/28/77/432772877.db2.gz FMSFOIQFHSPXIS-CQSZACIVSA-N 1 1 306.410 3.078 20 5 DGBDMO C[N@@H+](CCOc1c(F)cccc1[N+](=O)[O-])Cc1ccc(F)cc1 ZINC000189358501 432780488 /nfs/dbraw/zinc/78/04/88/432780488.db2.gz XPUKVMYLTSUQCR-UHFFFAOYSA-N 1 1 322.311 3.384 20 5 DGBDMO CC[C@H](C)C[N@@H+](CC)[C@H](C)C(=O)Nc1ccccc1[N+](=O)[O-] ZINC000245755603 432861432 /nfs/dbraw/zinc/86/14/32/432861432.db2.gz HOHQRLJCUQOEKL-QWHCGFSZSA-N 1 1 307.394 3.290 20 5 DGBDMO C[C@@H](c1cccc([N+](=O)[O-])c1)[N@@H+](C)CCNC(=O)OC(C)(C)C ZINC000268311317 432863439 /nfs/dbraw/zinc/86/34/39/432863439.db2.gz BRXSYECKUZCUNM-LBPRGKRZSA-N 1 1 323.393 3.112 20 5 DGBDMO C[C@@H]1C[N@H+](Cc2ccc(-c3cccc([N+](=O)[O-])c3)o2)[C@@H](C)CO1 ZINC000245537305 432840450 /nfs/dbraw/zinc/84/04/50/432840450.db2.gz IUWVHTSIBAIYEF-QWHCGFSZSA-N 1 1 316.357 3.464 20 5 DGBDMO C[C@@H]1C[N@@H+](Cc2ccc(-c3cccc([N+](=O)[O-])c3)o2)[C@@H](C)CO1 ZINC000245537305 432840454 /nfs/dbraw/zinc/84/04/54/432840454.db2.gz IUWVHTSIBAIYEF-QWHCGFSZSA-N 1 1 316.357 3.464 20 5 DGBDMO O=[N+]([O-])c1cccc(Cl)c1C[N@H+](C[C@@H]1CCOC1)C1CC1 ZINC000163312910 432849586 /nfs/dbraw/zinc/84/95/86/432849586.db2.gz MWLNLXDGBWGWBG-NSHDSACASA-N 1 1 310.781 3.249 20 5 DGBDMO O=[N+]([O-])c1cccc(Cl)c1C[N@@H+](C[C@@H]1CCOC1)C1CC1 ZINC000163312910 432849589 /nfs/dbraw/zinc/84/95/89/432849589.db2.gz MWLNLXDGBWGWBG-NSHDSACASA-N 1 1 310.781 3.249 20 5 DGBDMO C[C@@H]1C[N@H+](C2CC2)C[C@H]1Nc1ccc([N+](=O)[O-])c2cnccc12 ZINC000268199311 432854608 /nfs/dbraw/zinc/85/46/08/432854608.db2.gz XHCFEOLMPILLCI-BDJLRTHQSA-N 1 1 312.373 3.038 20 5 DGBDMO COCc1cc([N+](=O)[O-])ccc1NC[C@@H]1CC[N@@H+](CC(C)C)C1 ZINC000268226456 432856349 /nfs/dbraw/zinc/85/63/49/432856349.db2.gz KYSGCFJHDDUYCL-AWEZNQCLSA-N 1 1 321.421 3.131 20 5 DGBDMO COc1cc(C[N@H+]2CC[C@H](C)[C@H](C)C2)c([N+](=O)[O-])cc1OC ZINC000245703599 432857100 /nfs/dbraw/zinc/85/71/00/432857100.db2.gz DOKGPQADMHOKFY-NWDGAFQWSA-N 1 1 308.378 3.090 20 5 DGBDMO CC(C)C[C@H]1CCC[N@H+]1Cc1nc2cc([N+](=O)[O-])ccc2[nH]1 ZINC000331434848 432940732 /nfs/dbraw/zinc/94/07/32/432940732.db2.gz GNQFQGNOCMCCCJ-GFCCVEGCSA-N 1 1 302.378 3.482 20 5 DGBDMO COC[C@@]1(C)CC[N@@H+](Cc2cc([N+](=O)[O-])ccc2OC(C)C)C1 ZINC000296954469 432942235 /nfs/dbraw/zinc/94/22/35/432942235.db2.gz YAELCLFTTQCBBD-KRWDZBQOSA-N 1 1 322.405 3.240 20 5 DGBDMO CCC[C@]1(CO)CC[N@H+](Cc2cc(Cl)ccc2[N+](=O)[O-])C1 ZINC000288773531 432897528 /nfs/dbraw/zinc/89/75/28/432897528.db2.gz JUIZXYGXFDOZHR-HNNXBMFYSA-N 1 1 312.797 3.233 20 5 DGBDMO CCC[C@]1(CO)CC[N@@H+](Cc2cc(Cl)ccc2[N+](=O)[O-])C1 ZINC000288773531 432897530 /nfs/dbraw/zinc/89/75/30/432897530.db2.gz JUIZXYGXFDOZHR-HNNXBMFYSA-N 1 1 312.797 3.233 20 5 DGBDMO Cc1cnn(C)c1C[N@H+](Cc1ccc([N+](=O)[O-])cc1)C(C)C ZINC000288961954 432908467 /nfs/dbraw/zinc/90/84/67/432908467.db2.gz BAOGUHQPHJGUPK-UHFFFAOYSA-N 1 1 302.378 3.047 20 5 DGBDMO Cc1cnn(C)c1C[N@@H+](Cc1ccc([N+](=O)[O-])cc1)C(C)C ZINC000288961954 432908468 /nfs/dbraw/zinc/90/84/68/432908468.db2.gz BAOGUHQPHJGUPK-UHFFFAOYSA-N 1 1 302.378 3.047 20 5 DGBDMO Cc1ccc([N+](=O)[O-])cc1NC(=O)C[N@H+]1CCC[C@H]1C(C)(C)C ZINC000330624509 432920030 /nfs/dbraw/zinc/92/00/30/432920030.db2.gz RLJSJVVXKSCPTM-HNNXBMFYSA-N 1 1 319.405 3.352 20 5 DGBDMO C[C@@H](O)CC[N@H+](C)Cc1cc(Cl)cc(Cl)c1[N+](=O)[O-] ZINC000290060445 432985765 /nfs/dbraw/zinc/98/57/65/432985765.db2.gz SMIHIDBEQBBTRR-MRVPVSSYSA-N 1 1 307.177 3.104 20 5 DGBDMO C[C@@H](O)CC[N@@H+](C)Cc1cc(Cl)cc(Cl)c1[N+](=O)[O-] ZINC000290060445 432985769 /nfs/dbraw/zinc/98/57/69/432985769.db2.gz SMIHIDBEQBBTRR-MRVPVSSYSA-N 1 1 307.177 3.104 20 5 DGBDMO C[C@H]([NH2+]Cc1c([N+](=O)[O-])ncn1C)c1ccc(C(C)(C)C)cc1 ZINC000341094210 432960300 /nfs/dbraw/zinc/96/03/00/432960300.db2.gz HCJYDUHZBPRWAP-LBPRGKRZSA-N 1 1 316.405 3.477 20 5 DGBDMO C[C@@H]([NH2+]Cc1c([N+](=O)[O-])ncn1C)c1ccc(C(C)(C)C)cc1 ZINC000341094208 432960707 /nfs/dbraw/zinc/96/07/07/432960707.db2.gz HCJYDUHZBPRWAP-GFCCVEGCSA-N 1 1 316.405 3.477 20 5 DGBDMO CC[N@@H+](Cc1nnc(-c2ccc([N+](=O)[O-])cc2)o1)C1CCC1 ZINC000349746177 433002820 /nfs/dbraw/zinc/00/28/20/433002820.db2.gz ORVLVMRJXZMVDS-UHFFFAOYSA-N 1 1 302.334 3.019 20 5 DGBDMO CN(C)C[C@@H]([NH2+]Cc1ccc([N+](=O)[O-])cc1)c1ccc(F)cc1 ZINC000290195493 433010761 /nfs/dbraw/zinc/01/07/61/433010761.db2.gz UAXBFZXHYFLUEC-QGZVFWFLSA-N 1 1 317.364 3.126 20 5 DGBDMO Cc1ccc([C@@H](C)[NH2+]Cc2cnc([C@H](C)O)s2)cc1[N+](=O)[O-] ZINC000290209939 433013867 /nfs/dbraw/zinc/01/38/67/433013867.db2.gz DSRCZYJTCQRWOX-MNOVXSKESA-N 1 1 321.402 3.264 20 5 DGBDMO CCO[C@@H]1C[C@H]([N@@H+](C)Cc2cc([N+](=O)[O-])ccc2OC)C1(C)C ZINC000354458612 433096314 /nfs/dbraw/zinc/09/63/14/433096314.db2.gz QGYWFENSUBZDBX-JKSUJKDBSA-N 1 1 322.405 3.239 20 5 DGBDMO Cc1ccc([N+](=O)[O-])c(N2CC[N@H+](C)C[C@H]2c2ccccc2)c1 ZINC000446891213 433121735 /nfs/dbraw/zinc/12/17/35/433121735.db2.gz VQDXRVYCWGCOON-SFHVURJKSA-N 1 1 311.385 3.396 20 5 DGBDMO Cc1c([C@H](C)[N@H+]2CCC[C@@]3(CCOC3)C2)cccc1[N+](=O)[O-] ZINC000453385844 433143064 /nfs/dbraw/zinc/14/30/64/433143064.db2.gz UVFMHTPMYXHMMQ-WMLDXEAASA-N 1 1 304.390 3.467 20 5 DGBDMO Cc1c([C@H](C)[N@H+]2CCC[C@]3(CCOC3)C2)cccc1[N+](=O)[O-] ZINC000453385845 433144287 /nfs/dbraw/zinc/14/42/87/433144287.db2.gz UVFMHTPMYXHMMQ-YOEHRIQHSA-N 1 1 304.390 3.467 20 5 DGBDMO COc1cccnc1C[NH2+][C@@H](C)c1ccc(C)c([N+](=O)[O-])c1 ZINC000453346270 433109627 /nfs/dbraw/zinc/10/96/27/433109627.db2.gz BIHCAXGJYMJFPN-LBPRGKRZSA-N 1 1 301.346 3.158 20 5 DGBDMO C[C@H](Cc1ccccc1[N+](=O)[O-])[N@H+]1CCC[C@@]2(CCOC2)C1 ZINC000453355798 433117178 /nfs/dbraw/zinc/11/71/78/433117178.db2.gz IUFLEEBGWLBVED-RHSMWYFYSA-N 1 1 304.390 3.028 20 5 DGBDMO CC(C)[C@]1(CO)CCC[N@@H+](C/C=C\c2ccccc2[N+](=O)[O-])C1 ZINC000354569421 433155194 /nfs/dbraw/zinc/15/51/94/433155194.db2.gz PLNDZIOXZDRUJW-GNJLHFKMSA-N 1 1 318.417 3.339 20 5 DGBDMO CCC(=O)c1ccc(N[C@H]2CC[N@H+]3CCCC[C@H]23)c([N+](=O)[O-])c1 ZINC000280798036 433176072 /nfs/dbraw/zinc/17/60/72/433176072.db2.gz VMHIZLPQNQRGLC-LSDHHAIUSA-N 1 1 317.389 3.226 20 5 DGBDMO C/C(=C/c1cccc([N+](=O)[O-])c1)CN1CCC[C@H]2C[N@H+](C)C[C@H]21 ZINC000425361963 433203096 /nfs/dbraw/zinc/20/30/96/433203096.db2.gz YXTLPHZGCPGUDZ-FGCGXKTGSA-N 1 1 315.417 3.024 20 5 DGBDMO CC[N@@H+](CCn1cc([N+](=O)[O-])cn1)[C@H](C)c1ccc(F)cc1 ZINC000350725478 433265012 /nfs/dbraw/zinc/26/50/12/433265012.db2.gz XQUZWYZUPFZAPA-GFCCVEGCSA-N 1 1 306.341 3.014 20 5 DGBDMO CC[N@H+]1C[C@@H](C)N(c2ccc([N+](=O)[O-])c3ncccc23)C[C@H]1C ZINC000413216667 433267932 /nfs/dbraw/zinc/26/79/32/433267932.db2.gz UNGUURAPBANKLH-CHWSQXEVSA-N 1 1 314.389 3.062 20 5 DGBDMO CO[C@H](C[N@@H+](C)Cc1ccccc1[N+](=O)[O-])c1ccccc1 ZINC000338548384 433304643 /nfs/dbraw/zinc/30/46/43/433304643.db2.gz XHKVCYGGKIDWJC-QGZVFWFLSA-N 1 1 300.358 3.414 20 5 DGBDMO COc1cc(C)[nH+]c(Cn2nc(C)c3cc([N+](=O)[O-])ccc32)c1 ZINC000354921664 433360060 /nfs/dbraw/zinc/36/00/60/433360060.db2.gz QNNOKPTYNOKUBU-UHFFFAOYSA-N 1 1 312.329 3.013 20 5 DGBDMO O=[N+]([O-])c1ccc(C[N@@H+]2CCC[C@@H](CCO)CC2)c(Cl)c1 ZINC000421012046 433387165 /nfs/dbraw/zinc/38/71/65/433387165.db2.gz HXFBIBUQIMASCA-GFCCVEGCSA-N 1 1 312.797 3.233 20 5 DGBDMO C[C@H]1CN(Cc2cc(O)ccc2[N+](=O)[O-])Cc2ccccc2O1 ZINC000339213102 433442434 /nfs/dbraw/zinc/44/24/34/433442434.db2.gz POXMBMLWDNQOQI-LBPRGKRZSA-N 1 1 314.341 3.084 20 5 DGBDMO C[N@H+]1CCN(Cc2ccccc2[N+](=O)[O-])[C@H](c2ccccc2)C1 ZINC000119098739 290047987 /nfs/dbraw/zinc/04/79/87/290047987.db2.gz MZRUUEKRKXNXTM-SFHVURJKSA-N 1 1 311.385 3.084 20 5 DGBDMO CN(c1ccc(C(F)(F)F)cc1[N+](=O)[O-])[C@H]1CCC[N@@H+](C)C1 ZINC000301342867 433516082 /nfs/dbraw/zinc/51/60/82/433516082.db2.gz JIARRWKSOLGNQU-NSHDSACASA-N 1 1 317.311 3.144 20 5 DGBDMO CC[C@@]1(CO)CCC[N@H+]1Cc1ccc(C(C)C)c([N+](=O)[O-])c1 ZINC000351500029 433533940 /nfs/dbraw/zinc/53/39/40/433533940.db2.gz FXKIWIMYIMTZGV-KRWDZBQOSA-N 1 1 306.406 3.455 20 5 DGBDMO Cc1cc([C@@H](C)[NH2+][C@H](C)c2ccc(C)c([N+](=O)[O-])c2)nn1C ZINC000282238057 433538832 /nfs/dbraw/zinc/53/88/32/433538832.db2.gz PSINEMFINDEMPF-CHWSQXEVSA-N 1 1 302.378 3.357 20 5 DGBDMO C[C@H](c1ccccc1[N+](=O)[O-])[N@H+]1CCOC[C@H](C2CCC2)C1 ZINC000292185606 433494093 /nfs/dbraw/zinc/49/40/93/433494093.db2.gz QXGLBWXVSNSYNP-UKRRQHHQSA-N 1 1 304.390 3.404 20 5 DGBDMO CC(C)c1ccc(C[N@H+]2C[C@H](C)C[C@H](CO)C2)cc1[N+](=O)[O-] ZINC000421359793 433501427 /nfs/dbraw/zinc/50/14/27/433501427.db2.gz GWONJBFMHFIYBE-HIFRSBDPSA-N 1 1 306.406 3.169 20 5 DGBDMO Cc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@H+]1CC[C@H]2CCC[C@H]21 ZINC000426453173 433501714 /nfs/dbraw/zinc/50/17/14/433501714.db2.gz CZTHZTYIVPXWFN-CZUORRHYSA-N 1 1 317.389 3.106 20 5 DGBDMO O=[N+]([O-])c1cccc(-c2noc(C[N@H+]3CC[C@@H]4CCC[C@H]43)n2)c1 ZINC000426466665 433505601 /nfs/dbraw/zinc/50/56/01/433505601.db2.gz GVLNCMBZGJLAIZ-SMDDNHRTSA-N 1 1 314.345 3.019 20 5 DGBDMO COCC[N@@H+](CCc1ccc([N+](=O)[O-])cc1)[C@@H]1CC[C@@H](C)C1 ZINC000362153915 433550652 /nfs/dbraw/zinc/55/06/52/433550652.db2.gz YVKORNWWPBKISL-RHSMWYFYSA-N 1 1 306.406 3.274 20 5 DGBDMO C[C@H]1CC[C@@H](c2ccccc2)[N@H+](Cc2c([N+](=O)[O-])ncn2C)C1 ZINC000375760759 433555007 /nfs/dbraw/zinc/55/50/07/433555007.db2.gz UDSWOLURNOLIEN-ZFWWWQNUSA-N 1 1 314.389 3.302 20 5 DGBDMO C[C@H]1CC[C@@H](c2ccccc2)[N@@H+](Cc2c([N+](=O)[O-])ncn2C)C1 ZINC000375760759 433555016 /nfs/dbraw/zinc/55/50/16/433555016.db2.gz UDSWOLURNOLIEN-ZFWWWQNUSA-N 1 1 314.389 3.302 20 5 DGBDMO C/C(=C\c1cccc([N+](=O)[O-])c1)CN(C)C[C@H]1CCC[N@H+]1C ZINC000421412952 433557093 /nfs/dbraw/zinc/55/70/93/433557093.db2.gz UVWANEJGXJGZOG-IDKBZEPQSA-N 1 1 303.406 3.024 20 5 DGBDMO C/C(=C\c1cccc([N+](=O)[O-])c1)C[N@@H+](C)C[C@H]1CCCN1C ZINC000421412952 433557101 /nfs/dbraw/zinc/55/71/01/433557101.db2.gz UVWANEJGXJGZOG-IDKBZEPQSA-N 1 1 303.406 3.024 20 5 DGBDMO C/C(=C\c1cccc([N+](=O)[O-])c1)C[N@H+](C)C[C@H]1CCCN1C ZINC000421412952 433557110 /nfs/dbraw/zinc/55/71/10/433557110.db2.gz UVWANEJGXJGZOG-IDKBZEPQSA-N 1 1 303.406 3.024 20 5 DGBDMO Cc1[nH+]ccn1CCCCNc1cc(C)c([N+](=O)[O-])cc1F ZINC000292328980 433557480 /nfs/dbraw/zinc/55/74/80/433557480.db2.gz ASDVQQAHEWMJAJ-UHFFFAOYSA-N 1 1 306.341 3.440 20 5 DGBDMO Cc1cc(NC(=O)c2ccc(C)c([N+](=O)[O-])c2)cn2cc[nH+]c12 ZINC000355421975 433542718 /nfs/dbraw/zinc/54/27/18/433542718.db2.gz PRMWRUQMXXWKBK-UHFFFAOYSA-N 1 1 310.313 3.112 20 5 DGBDMO Cc1ccc([N+](=O)[O-])c(NCCCC[N@H+]2C[C@@H](C)O[C@@H](C)C2)c1 ZINC000301628559 433645880 /nfs/dbraw/zinc/64/58/80/433645880.db2.gz IBPNXOLIYQVLHK-GASCZTMLSA-N 1 1 321.421 3.205 20 5 DGBDMO O=[N+]([O-])c1cc(F)ccc1NCC[N@H+]1CCc2ccccc2C1 ZINC000356602844 433622137 /nfs/dbraw/zinc/62/21/37/433622137.db2.gz RXRMXFSGLUEGDX-UHFFFAOYSA-N 1 1 315.348 3.204 20 5 DGBDMO O=C(CC[N@H+]1CCC[C@@H]2CCC[C@@H]21)Nc1ccccc1[N+](=O)[O-] ZINC000283196291 433691531 /nfs/dbraw/zinc/69/15/31/433691531.db2.gz GCATYVZKSSWEKX-ZFWWWQNUSA-N 1 1 317.389 3.188 20 5 DGBDMO Cc1nc(NCCCC[N@@H+]2CCC[C@@H](C)C2)ccc1[N+](=O)[O-] ZINC000301635487 433650285 /nfs/dbraw/zinc/65/02/85/433650285.db2.gz KTVHEGWYAXDBDR-CYBMUJFWSA-N 1 1 306.410 3.222 20 5 DGBDMO Cc1cc(N2CC[C@H]3[C@@H](CCC[N@H+]3C3CC3)C2)ccc1[N+](=O)[O-] ZINC000301749453 433707123 /nfs/dbraw/zinc/70/71/23/433707123.db2.gz AABGDJANBDIUHR-KSSFIOAISA-N 1 1 315.417 3.356 20 5 DGBDMO Cn1cnc([N+](=O)[O-])c1C[N@H+]1CCC[C@@H](c2ccccc2)CC1 ZINC000374048509 293346924 /nfs/dbraw/zinc/34/69/24/293346924.db2.gz HIZRFWOSXLFNNH-OAHLLOKOSA-N 1 1 314.389 3.098 20 5 DGBDMO C[C@H]1C[C@H](c2ccccc2)CC[N@H+]1Cc1c([N+](=O)[O-])ncn1C ZINC000374157410 293359597 /nfs/dbraw/zinc/35/95/97/293359597.db2.gz AKXVSYPCVWSGJF-DZGCQCFKSA-N 1 1 314.389 3.096 20 5 DGBDMO Cc1cc(NC[C@H]2CCC[N@H+](CC(C)C)C2)ncc1[N+](=O)[O-] ZINC000301781691 433720648 /nfs/dbraw/zinc/72/06/48/433720648.db2.gz NIOAPHJYJVKRIJ-CQSZACIVSA-N 1 1 306.410 3.078 20 5 DGBDMO CN(CC[C@H]1CCCC[N@H+]1C)c1c(F)cc([N+](=O)[O-])cc1F ZINC000301782136 433721037 /nfs/dbraw/zinc/72/10/37/433721037.db2.gz JWOQHDZJWWTHJE-LLVKDONJSA-N 1 1 313.348 3.184 20 5 DGBDMO Cc1nc(NC[C@@H]2CCCC[N@@H+]2CC(C)C)ccc1[N+](=O)[O-] ZINC000301785655 433722615 /nfs/dbraw/zinc/72/26/15/433722615.db2.gz LOGGQKYYSXSWLE-AWEZNQCLSA-N 1 1 306.410 3.221 20 5 DGBDMO O=[N+]([O-])c1ccc(OCC[N@@H+]2CCc3c(F)cccc3C2)cc1 ZINC000339785163 433783808 /nfs/dbraw/zinc/78/38/08/433783808.db2.gz ZUZAQCBFRSZVRP-UHFFFAOYSA-N 1 1 316.332 3.171 20 5 DGBDMO O=[N+]([O-])c1ccc(OCC[N@H+]2CCc3c(F)cccc3C2)cc1 ZINC000339785163 433783821 /nfs/dbraw/zinc/78/38/21/433783821.db2.gz ZUZAQCBFRSZVRP-UHFFFAOYSA-N 1 1 316.332 3.171 20 5 DGBDMO CC[C@H](C)[N@@H+](CCO)Cc1cc([N+](=O)[O-])ccc1C(F)(F)F ZINC000293567514 433786283 /nfs/dbraw/zinc/78/62/83/433786283.db2.gz MREZKQGNYAPOIC-JTQLQIEISA-N 1 1 320.311 3.206 20 5 DGBDMO O=[N+]([O-])c1ccc(C[NH2+]C2(c3ccccc3)CC2)c([N+](=O)[O-])c1 ZINC000283949772 433805109 /nfs/dbraw/zinc/80/51/09/433805109.db2.gz DKGRSMOFKZYRNP-UHFFFAOYSA-N 1 1 313.313 3.282 20 5 DGBDMO C/C(=C\c1cccc([N+](=O)[O-])c1)C[N@H+]1CC[C@H](CCCO)C1 ZINC000449792016 433805914 /nfs/dbraw/zinc/80/59/14/433805914.db2.gz RBCYRZFZJIPEGT-IPJDOKCGSA-N 1 1 304.390 3.093 20 5 DGBDMO COC[C@@H]([NH2+][C@@H](C)c1ccc(N)c([N+](=O)[O-])c1)c1ccc(C)o1 ZINC000284090935 433830963 /nfs/dbraw/zinc/83/09/63/433830963.db2.gz MGJATTAUJXPBBP-SMDDNHRTSA-N 1 1 319.361 3.117 20 5 DGBDMO O=[N+]([O-])c1ccccc1/C=C/C[N@H+]1CCc2ccc(O)cc2C1 ZINC000351979763 433831336 /nfs/dbraw/zinc/83/13/36/433831336.db2.gz WPZYIEKNMCQXGC-HWKANZROSA-N 1 1 310.353 3.372 20 5 DGBDMO O=[N+]([O-])c1ccccc1/C=C/C[N@@H+]1CCc2ccc(O)cc2C1 ZINC000351979763 433831348 /nfs/dbraw/zinc/83/13/48/433831348.db2.gz WPZYIEKNMCQXGC-HWKANZROSA-N 1 1 310.353 3.372 20 5 DGBDMO COC1CCC([N@H+](C)Cc2c(F)cc([N+](=O)[O-])cc2F)CC1 ZINC000284083209 433833654 /nfs/dbraw/zinc/83/36/54/433833654.db2.gz NPVKZEPPRGHGFH-UHFFFAOYSA-N 1 1 314.332 3.262 20 5 DGBDMO COC1CCC([N@@H+](C)Cc2c(F)cc([N+](=O)[O-])cc2F)CC1 ZINC000284083209 433833661 /nfs/dbraw/zinc/83/36/61/433833661.db2.gz NPVKZEPPRGHGFH-UHFFFAOYSA-N 1 1 314.332 3.262 20 5 DGBDMO COc1ccc([N+](=O)[O-])cc1C[N@H+](C)CCOc1ccccc1 ZINC000302741762 433846355 /nfs/dbraw/zinc/84/63/55/433846355.db2.gz KYAODBWWTHOIHJ-UHFFFAOYSA-N 1 1 316.357 3.114 20 5 DGBDMO COc1ccc([N+](=O)[O-])cc1C[N@@H+](C)CCOc1ccccc1 ZINC000302741762 433846365 /nfs/dbraw/zinc/84/63/65/433846365.db2.gz KYAODBWWTHOIHJ-UHFFFAOYSA-N 1 1 316.357 3.114 20 5 DGBDMO CC[N@H+]1CC[C@H]2CC[C@@H](C1)N2c1ccc(Cl)cc1[N+](=O)[O-] ZINC000302762850 433853370 /nfs/dbraw/zinc/85/33/70/433853370.db2.gz KRYLGIAKYXRDNK-OLZOCXBDSA-N 1 1 309.797 3.311 20 5 DGBDMO Cc1cc(NCC[N@H+]2CCc3ccccc3C2)ccc1[N+](=O)[O-] ZINC000302959199 433911862 /nfs/dbraw/zinc/91/18/62/433911862.db2.gz PUTMHKHOAGZQKU-UHFFFAOYSA-N 1 1 311.385 3.373 20 5 DGBDMO CC(=O)c1cc([N+](=O)[O-])ccc1NC[C@H](c1ccco1)[NH+](C)C ZINC000285505651 433974716 /nfs/dbraw/zinc/97/47/16/433974716.db2.gz FPQYLDNDCQUQCL-OAHLLOKOSA-N 1 1 317.345 3.105 20 5 DGBDMO CC[C@@H]1CC[C@H](C)[N@H+]1CCC(=O)Nc1cc([N+](=O)[O-])ccc1C ZINC000357554895 434075305 /nfs/dbraw/zinc/07/53/05/434075305.db2.gz SXLVYZARHVPLSI-UONOGXRCSA-N 1 1 319.405 3.495 20 5 DGBDMO C[C@H]1[C@H](Nc2ccc([N+](=O)[O-])nc2)CC[N@H+]1Cc1ccccc1 ZINC000309759454 434098704 /nfs/dbraw/zinc/09/87/04/434098704.db2.gz XRAHVTNRGKDLPR-XJKSGUPXSA-N 1 1 312.373 3.065 20 5 DGBDMO CC(C)CC[NH2+][C@H](c1nccn1C)c1cccc([N+](=O)[O-])c1 ZINC000353432186 434126395 /nfs/dbraw/zinc/12/63/95/434126395.db2.gz BGTURTFGVDALFC-HNNXBMFYSA-N 1 1 302.378 3.053 20 5 DGBDMO COc1ccc(C[N@H+]2CCCCC[C@@H]2C[C@H](C)O)cc1[N+](=O)[O-] ZINC000286035934 434144431 /nfs/dbraw/zinc/14/44/31/434144431.db2.gz QOKBLTZSFDGCKY-DZGCQCFKSA-N 1 1 322.405 3.119 20 5 DGBDMO CCC[N@@H+](CC)C[C@@H](C)Nc1ncnc2cccc([N+](=O)[O-])c21 ZINC000357774942 434173912 /nfs/dbraw/zinc/17/39/12/434173912.db2.gz NJBAEOAFSNZORQ-GFCCVEGCSA-N 1 1 317.393 3.070 20 5 DGBDMO CC(C)[N@H+]1CCCC[C@@H]1CN1CCc2ccc([N+](=O)[O-])cc2C1 ZINC000450485372 434220355 /nfs/dbraw/zinc/22/03/55/434220355.db2.gz NGNOLWXFZPRVJD-GOSISDBHSA-N 1 1 317.433 3.216 20 5 DGBDMO N[C@@H]1CCCCC[C@@H]1[NH2+]CCc1ccc(Cl)cc1[N+](=O)[O-] ZINC000423039439 434182524 /nfs/dbraw/zinc/18/25/24/434182524.db2.gz FLJUYYQRFJZIPK-KGLIPLIRSA-N 1 1 311.813 3.040 20 5 DGBDMO [NH3+][C@@H]1CCCCC[C@@H]1NCCc1ccc(Cl)cc1[N+](=O)[O-] ZINC000423039439 434182531 /nfs/dbraw/zinc/18/25/31/434182531.db2.gz FLJUYYQRFJZIPK-KGLIPLIRSA-N 1 1 311.813 3.040 20 5 DGBDMO CO[C@H]1[C@H]2[C@H]3C[C@@H]1C[C@@H]3C[N@H+]2Cc1ccc(Cl)c([N+](=O)[O-])c1 ZINC000286258295 434213263 /nfs/dbraw/zinc/21/32/63/434213263.db2.gz AWPUXGNYYPBPQI-SCYJSFNGSA-N 1 1 322.792 3.103 20 5 DGBDMO COc1ccncc1C[NH2+]Cc1ccc(C(C)C)c([N+](=O)[O-])c1 ZINC000353610091 434268414 /nfs/dbraw/zinc/26/84/14/434268414.db2.gz RRBOUKUUXQHRBQ-UHFFFAOYSA-N 1 1 315.373 3.412 20 5 DGBDMO COc1ccc([N+](=O)[O-])cc1Cn1c[nH+]c2c1C[C@@H](C)[C@H](C)C2 ZINC000323944338 434273128 /nfs/dbraw/zinc/27/31/28/434273128.db2.gz BFRCGAWLCWPEHN-VXGBXAGGSA-N 1 1 315.373 3.219 20 5 DGBDMO CC[C@@H]1CCC[N@@H+]1CC(=O)Nc1ccc(Cl)cc1[N+](=O)[O-] ZINC000340685927 434300468 /nfs/dbraw/zinc/30/04/68/434300468.db2.gz MDRRXQGQQHEXIU-LLVKDONJSA-N 1 1 311.769 3.061 20 5 DGBDMO CC[C@@H]1CCC[N@H+]1CC(=O)Nc1ccc(Cl)cc1[N+](=O)[O-] ZINC000340685927 434300475 /nfs/dbraw/zinc/30/04/75/434300475.db2.gz MDRRXQGQQHEXIU-LLVKDONJSA-N 1 1 311.769 3.061 20 5 DGBDMO [NH3+][C@H](CN[C@H]1CCCc2ccc([N+](=O)[O-])cc21)c1ccccc1 ZINC000423238829 434306224 /nfs/dbraw/zinc/30/62/24/434306224.db2.gz JOXQONQIXUMZIW-MSOLQXFVSA-N 1 1 311.385 3.262 20 5 DGBDMO Cc1ccc(C[N@@H+]2CCCCC[C@@H]2C[C@H](C)O)cc1[N+](=O)[O-] ZINC000348550215 434395677 /nfs/dbraw/zinc/39/56/77/434395677.db2.gz SNIPWOQZONHTEB-GOEBONIOSA-N 1 1 306.406 3.419 20 5 DGBDMO CCO[C@@H]1C[C@H]([N@@H+](C)Cc2ccc(OC)c([N+](=O)[O-])c2)C1(C)C ZINC000353780082 434427651 /nfs/dbraw/zinc/42/76/51/434427651.db2.gz KGIGEGAJSMAXMX-JKSUJKDBSA-N 1 1 322.405 3.239 20 5 DGBDMO CC[N@H+](Cc1ccc(-c2ccccc2[N+](=O)[O-])o1)C[C@@H](C)O ZINC000348717848 434459454 /nfs/dbraw/zinc/45/94/54/434459454.db2.gz VYIAJFCNXREGJR-GFCCVEGCSA-N 1 1 304.346 3.058 20 5 DGBDMO COc1c(O)cccc1C[NH2+][C@@H](C)c1ccc([N+](=O)[O-])cc1 ZINC000295983930 434461083 /nfs/dbraw/zinc/46/10/83/434461083.db2.gz JTCWTGDLVRZETJ-NSHDSACASA-N 1 1 302.330 3.160 20 5 DGBDMO NC[C@@H]([NH2+][C@@H]1CCCc2ccc([N+](=O)[O-])cc21)C1CCCC1 ZINC000423507238 434465250 /nfs/dbraw/zinc/46/52/50/434465250.db2.gz PVICZUAWPQZSCC-IAGOWNOFSA-N 1 1 303.406 3.079 20 5 DGBDMO C[N@@H+](Cc1ccc(-c2ccc([N+](=O)[O-])cc2)o1)[C@@H]1CCCOC1 ZINC000348708918 434457757 /nfs/dbraw/zinc/45/77/57/434457757.db2.gz ALDKPRVETCNAPT-OAHLLOKOSA-N 1 1 316.357 3.466 20 5 DGBDMO C[C@H]1Cc2[nH+]cn(Cc3c(F)cccc3[N+](=O)[O-])c2C[C@@H]1C ZINC000451000380 434524597 /nfs/dbraw/zinc/52/45/97/434524597.db2.gz PFUDZMIGBYIUBS-QWRGUYRKSA-N 1 1 303.337 3.350 20 5 DGBDMO CCO[C@@H]1C[C@@H]([N@@H+](C)CCc2ccc([N+](=O)[O-])cc2)C1(C)C ZINC000525408841 295014311 /nfs/dbraw/zinc/01/43/11/295014311.db2.gz KWNCRKLZTRUXPC-HZPDHXFCSA-N 1 1 306.406 3.273 20 5 DGBDMO CO[C@@H]1C[C@H]([N@@H+](C)CCc2ccc([N+](=O)[O-])cc2)C12CCC2 ZINC000451849991 434580847 /nfs/dbraw/zinc/58/08/47/434580847.db2.gz LFHJVGOXBKKIAU-JKSUJKDBSA-N 1 1 304.390 3.027 20 5 DGBDMO C[C@@H](C(=O)Nc1cccc([N+](=O)[O-])c1)[N@H+]1CCCC[C@@H](C)C1 ZINC000360598139 434644419 /nfs/dbraw/zinc/64/44/19/434644419.db2.gz NZOQQCSGEYNDDJ-OLZOCXBDSA-N 1 1 305.378 3.044 20 5 DGBDMO CC(C)c1ccc(C(=O)NCCC[N@H+](C)C(C)C)cc1[N+](=O)[O-] ZINC000439414065 434599070 /nfs/dbraw/zinc/59/90/70/434599070.db2.gz ZSOVROKYLZAFBZ-UHFFFAOYSA-N 1 1 321.421 3.178 20 5 DGBDMO C[C@@H](C(=O)Nc1ccc([N+](=O)[O-])cc1)[N@H+]1CCCC[C@@H](C)C1 ZINC000360621603 434652323 /nfs/dbraw/zinc/65/23/23/434652323.db2.gz TZHYWJRXHNABSG-OLZOCXBDSA-N 1 1 305.378 3.044 20 5 DGBDMO Cc1ccc([N+](=O)[O-])c(NCCCC[N@@H+]2C[C@H](C)C[C@H](C)C2)n1 ZINC000360668459 434660985 /nfs/dbraw/zinc/66/09/85/434660985.db2.gz HUPXVWWQMAMMRV-OKILXGFUSA-N 1 1 320.437 3.468 20 5 DGBDMO Cc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@H+]1CC2CCC1CC2 ZINC000371386674 434687230 /nfs/dbraw/zinc/68/72/30/434687230.db2.gz CRMIPLCDDSMVNC-UHFFFAOYSA-N 1 1 317.389 3.106 20 5 DGBDMO O=[N+]([O-])c1ccc(C[N@H+]2CCC[C@H](C[C@H]3CCOC3)C2)cc1 ZINC000371442632 434703623 /nfs/dbraw/zinc/70/36/23/434703623.db2.gz KBWUVKNVTNVGOW-HZPDHXFCSA-N 1 1 304.390 3.233 20 5 DGBDMO C[C@@H](C[N@@H+](C)Cc1ccc([N+](=O)[O-])cc1)C(=O)OC(C)(C)C ZINC000459770162 434708419 /nfs/dbraw/zinc/70/84/19/434708419.db2.gz MPXBDKQMNSSZKF-LBPRGKRZSA-N 1 1 308.378 3.004 20 5 DGBDMO COc1ccc([N+](=O)[O-])c(NC[C@@H](C)[N@H+]2CCC[C@H](C)C2)c1 ZINC000360951787 434742041 /nfs/dbraw/zinc/74/20/41/434742041.db2.gz SMWYHVFHRHFOIQ-QWHCGFSZSA-N 1 1 307.394 3.136 20 5 DGBDMO C[C@H](c1ccccc1[N+](=O)[O-])[N@H+]1CCC[C@@H](n2cccn2)C1 ZINC000441481440 434767113 /nfs/dbraw/zinc/76/71/13/434767113.db2.gz NRBXMNSQDKYBPC-ZIAGYGMSSA-N 1 1 300.362 3.189 20 5 DGBDMO C[C@H](c1ccccc1[N+](=O)[O-])[N@H+]1CCC[C@H](n2cccn2)C1 ZINC000441481438 434763667 /nfs/dbraw/zinc/76/36/67/434763667.db2.gz NRBXMNSQDKYBPC-KGLIPLIRSA-N 1 1 300.362 3.189 20 5 DGBDMO C[C@H]1[C@@H](C)[N@H+](Cc2nc(-c3cccc([N+](=O)[O-])c3)no2)C[C@H]1C ZINC000419390810 434784531 /nfs/dbraw/zinc/78/45/31/434784531.db2.gz JHYDWFCQQLVOAI-IJLUTSLNSA-N 1 1 316.361 3.121 20 5 DGBDMO C[C@H]1[C@@H](C)[N@H+](Cc2nnc(-c3ccc([N+](=O)[O-])cc3)o2)C[C@H]1C ZINC000419394174 434785649 /nfs/dbraw/zinc/78/56/49/434785649.db2.gz ONKACMUQNJFEIM-IJLUTSLNSA-N 1 1 316.361 3.121 20 5 DGBDMO C[C@@H]1[C@H](C)C[N@@H+](Cc2nnc(-c3ccc([N+](=O)[O-])cc3)o2)[C@H]1C ZINC000419394177 434786974 /nfs/dbraw/zinc/78/69/74/434786974.db2.gz ONKACMUQNJFEIM-UTUOFQBUSA-N 1 1 316.361 3.121 20 5 DGBDMO CC[N@@H+](CC(=O)Nc1ccccc1[N+](=O)[O-])[C@@H]1CCCC[C@@H]1C ZINC000444675525 434787506 /nfs/dbraw/zinc/78/75/06/434787506.db2.gz MKPYLDHATXUBOX-DZGCQCFKSA-N 1 1 319.405 3.434 20 5 DGBDMO Cc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@@H+]1C[C@H](C)[C@H](C)[C@@H]1C ZINC000419372732 434781073 /nfs/dbraw/zinc/78/10/73/434781073.db2.gz MWPZYELLZMMWPM-IHRRRGAJSA-N 1 1 319.405 3.208 20 5 DGBDMO C[C@@H]1CCC(C)(C)[N@H+]1CCC(=O)Nc1ccccc1[N+](=O)[O-] ZINC000411811982 434830896 /nfs/dbraw/zinc/83/08/96/434830896.db2.gz WAMJONFMPSPMSH-GFCCVEGCSA-N 1 1 305.378 3.186 20 5 DGBDMO Cc1cccc([N+](=O)[O-])c1NC(=O)C[N@@H+]1CCCCC(C)(C)C1 ZINC000446063858 434844735 /nfs/dbraw/zinc/84/47/35/434844735.db2.gz VXOOVBCEJKMMOH-UHFFFAOYSA-N 1 1 319.405 3.354 20 5 DGBDMO Cc1cccc([N+](=O)[O-])c1NC(=O)C[N@H+]1CCCCC(C)(C)C1 ZINC000446063858 434844738 /nfs/dbraw/zinc/84/47/38/434844738.db2.gz VXOOVBCEJKMMOH-UHFFFAOYSA-N 1 1 319.405 3.354 20 5 DGBDMO Cc1c(NC(=O)[C@@H](C)[N@H+]2CC(C)(C)C[C@@H]2C)cccc1[N+](=O)[O-] ZINC000412041494 434859516 /nfs/dbraw/zinc/85/95/16/434859516.db2.gz LMNVYZOKYAYGGI-WCQYABFASA-N 1 1 319.405 3.351 20 5 DGBDMO O=[N+]([O-])c1cccc(Cl)c1C[N@@H+]1CCC[C@H](c2ncc[nH]2)C1 ZINC000492068358 434909059 /nfs/dbraw/zinc/90/90/59/434909059.db2.gz ZQAOATSXMLNYCA-NSHDSACASA-N 1 1 320.780 3.351 20 5 DGBDMO O=[N+]([O-])c1cccc(Cl)c1C[N@H+]1CCC[C@H](c2ncc[nH]2)C1 ZINC000492068358 434909063 /nfs/dbraw/zinc/90/90/63/434909063.db2.gz ZQAOATSXMLNYCA-NSHDSACASA-N 1 1 320.780 3.351 20 5 DGBDMO O=[N+]([O-])c1cccc(C[N@@H+]2CCC[C@@H](OCC(F)(F)F)C2)c1 ZINC000524251485 434973535 /nfs/dbraw/zinc/97/35/35/434973535.db2.gz DZPLHOPYNOHNBV-CYBMUJFWSA-N 1 1 318.295 3.138 20 5 DGBDMO O=[N+]([O-])c1cccc(C[N@H+]2CCC[C@@H](OCC(F)(F)F)C2)c1 ZINC000524251485 434973538 /nfs/dbraw/zinc/97/35/38/434973538.db2.gz DZPLHOPYNOHNBV-CYBMUJFWSA-N 1 1 318.295 3.138 20 5 DGBDMO O=[N+]([O-])c1cccc(Cl)c1C[N@H+]1CCC[C@H]([C@H]2CCOC2)C1 ZINC000492175884 434931007 /nfs/dbraw/zinc/93/10/07/434931007.db2.gz NVTVMZGGXZXJJK-STQMWFEESA-N 1 1 324.808 3.497 20 5 DGBDMO C/C(=C/c1cccc([N+](=O)[O-])c1)C[N@H+]1CCC[C@H](CO)CC1 ZINC000556966757 435041290 /nfs/dbraw/zinc/04/12/90/435041290.db2.gz CLBPQXBGAQRVMA-LTBFUDJGSA-N 1 1 304.390 3.093 20 5 DGBDMO CC(C)[C@@H]1C[N@@H+](C/C=C/c2ccccc2[N+](=O)[O-])CCCO1 ZINC000556981300 435042400 /nfs/dbraw/zinc/04/24/00/435042400.db2.gz XHUPNRGCTGSNMH-JZLODUJNSA-N 1 1 304.390 3.355 20 5 DGBDMO Cc1ccc([N+](=O)[O-])cc1[C@H](C)[NH2+]Cc1cn2ccsc2n1 ZINC000532205075 435147929 /nfs/dbraw/zinc/14/79/29/435147929.db2.gz OFEYPYRHVGTZDS-NSHDSACASA-N 1 1 316.386 3.463 20 5 DGBDMO CC[C@H]1C[C@H](C)C[N@H+]1CCOc1ccc(OC)cc1[N+](=O)[O-] ZINC000466931585 435102161 /nfs/dbraw/zinc/10/21/61/435102161.db2.gz XCKAUAWHMBJQKG-STQMWFEESA-N 1 1 308.378 3.103 20 5 DGBDMO CC(C)C[C@@H]1CC[N@H+]([C@H](C)C(=O)Nc2cccc([N+](=O)[O-])c2)C1 ZINC000467173504 435110004 /nfs/dbraw/zinc/11/00/04/435110004.db2.gz CWJMNOLNQSRGSO-KGLIPLIRSA-N 1 1 319.405 3.290 20 5 DGBDMO O=[N+]([O-])c1cc(Cl)ccc1C[N@@H+]1CCOC[C@@H](C2CCC2)C1 ZINC000578946798 435120902 /nfs/dbraw/zinc/12/09/02/435120902.db2.gz FYOXTHIJUISMAA-AWEZNQCLSA-N 1 1 324.808 3.497 20 5 DGBDMO O=[N+]([O-])c1cc(Cl)ccc1C[N@H+]1CCOC[C@@H](C2CCC2)C1 ZINC000578946798 435120904 /nfs/dbraw/zinc/12/09/04/435120904.db2.gz FYOXTHIJUISMAA-AWEZNQCLSA-N 1 1 324.808 3.497 20 5 DGBDMO COc1cccc(N[C@@H]2CC[N@@H+](CC3CCCC3)C2)c1[N+](=O)[O-] ZINC000475498399 435200171 /nfs/dbraw/zinc/20/01/71/435200171.db2.gz OEJHRKIWOONEAV-CQSZACIVSA-N 1 1 319.405 3.280 20 5 DGBDMO CC[N@@H+](CCC(=O)Nc1cccc([N+](=O)[O-])c1C)C1CCC1 ZINC000533300030 435224702 /nfs/dbraw/zinc/22/47/02/435224702.db2.gz XDLULTPYKAGNMQ-UHFFFAOYSA-N 1 1 305.378 3.106 20 5 DGBDMO CCCC[N@H+](C)C[C@H](C)NC/C=C/c1ccccc1[N+](=O)[O-] ZINC000561754865 435232348 /nfs/dbraw/zinc/23/23/48/435232348.db2.gz ZHHOFGFJWVGSPZ-HQPKTYMTSA-N 1 1 305.422 3.318 20 5 DGBDMO CCCC[N@@H+](C)C[C@H](C)NC/C=C/c1ccccc1[N+](=O)[O-] ZINC000561754865 435232353 /nfs/dbraw/zinc/23/23/53/435232353.db2.gz ZHHOFGFJWVGSPZ-HQPKTYMTSA-N 1 1 305.422 3.318 20 5 DGBDMO COc1cc(C[N@@H+](C)[C@H](C)C(C)(C)C)c([N+](=O)[O-])cc1OC ZINC000534349882 435286001 /nfs/dbraw/zinc/28/60/01/435286001.db2.gz NOXPAHQTKVFHPM-LLVKDONJSA-N 1 1 310.394 3.478 20 5 DGBDMO C[C@H](CN1CCCCCC1)[NH2+]C/C=C\c1ccccc1[N+](=O)[O-] ZINC000479605226 435342343 /nfs/dbraw/zinc/34/23/43/435342343.db2.gz XENLCTHZUVEMDO-SIJIIQCFSA-N 1 1 317.433 3.462 20 5 DGBDMO Cc1ccc(C[NH2+][C@@H](C)CN2CCCCCC2)cc1[N+](=O)[O-] ZINC000479601306 435342505 /nfs/dbraw/zinc/34/25/05/435342505.db2.gz HFEIQPJDDITNLN-HNNXBMFYSA-N 1 1 305.422 3.257 20 5 DGBDMO C[C@@H](CN1CCCCCC1)[NH2+]C/C=C\c1ccccc1[N+](=O)[O-] ZINC000479605231 435343108 /nfs/dbraw/zinc/34/31/08/435343108.db2.gz XENLCTHZUVEMDO-YHWKNFMLSA-N 1 1 317.433 3.462 20 5 DGBDMO CCC(=O)c1ccc(N[C@@H]2CC[N@@H+](C)[C@H](C)C2)c([N+](=O)[O-])c1 ZINC000480005089 435360732 /nfs/dbraw/zinc/36/07/32/435360732.db2.gz FYOMBFVCYXPWGO-DGCLKSJQSA-N 1 1 305.378 3.082 20 5 DGBDMO C[N@@H+](CCOc1ccccc1)CCc1ccccc1[N+](=O)[O-] ZINC000511072280 435312328 /nfs/dbraw/zinc/31/23/28/435312328.db2.gz DMYKXMYULZDDJQ-UHFFFAOYSA-N 1 1 300.358 3.148 20 5 DGBDMO Cc1c([C@@H](C)NCC[NH+]2CCCCCC2)cccc1[N+](=O)[O-] ZINC000480277476 435373581 /nfs/dbraw/zinc/37/35/81/435373581.db2.gz XDXVITGDHCMNDS-OAHLLOKOSA-N 1 1 305.422 3.430 20 5 DGBDMO CCC[N@@H+]1CCC[C@H]1CNC/C(C)=C\c1cccc([N+](=O)[O-])c1 ZINC000513100110 435378275 /nfs/dbraw/zinc/37/82/75/435378275.db2.gz GSYPEJRLWWUTLD-RXBGNRNISA-N 1 1 317.433 3.462 20 5 DGBDMO CCC[N@H+]1CCC[C@H]1CNC/C(C)=C\c1cccc([N+](=O)[O-])c1 ZINC000513100110 435378281 /nfs/dbraw/zinc/37/82/81/435378281.db2.gz GSYPEJRLWWUTLD-RXBGNRNISA-N 1 1 317.433 3.462 20 5 DGBDMO O=[N+]([O-])c1cccc(C[N@H+](C[C@H]2CCCC[C@H]2O)C2CC2)c1 ZINC000514605710 435423634 /nfs/dbraw/zinc/42/36/34/435423634.db2.gz OPKQZNRSCASVPV-RHSMWYFYSA-N 1 1 304.390 3.110 20 5 DGBDMO CC[C@@H](C[N@@H+](CC)CCn1ccc([N+](=O)[O-])n1)c1ccccc1 ZINC000481761954 435440860 /nfs/dbraw/zinc/44/08/60/435440860.db2.gz RTSUEZCZNLCDKO-HNNXBMFYSA-N 1 1 316.405 3.307 20 5 DGBDMO C[C@@H]1C[C@H](C)[N@@H+](Cc2cn(C)nc2-c2ccc([N+](=O)[O-])cc2)C1 ZINC000538717488 435514309 /nfs/dbraw/zinc/51/43/09/435514309.db2.gz FBRLCSDFIZNIRO-OLZOCXBDSA-N 1 1 314.389 3.226 20 5 DGBDMO O=[N+]([O-])c1ccc(C[N@H+]2CCCN3c4ccccc4C[C@@H]3C2)cc1 ZINC000515444414 435484405 /nfs/dbraw/zinc/48/44/05/435484405.db2.gz DKMOLSDZPCSDLQ-GOSISDBHSA-N 1 1 323.396 3.232 20 5 DGBDMO Cc1ccc([C@H](C)[NH2+]CC[C@@H]2CCCC[N@@H+]2C)cc1[N+](=O)[O-] ZINC000538278050 435490790 /nfs/dbraw/zinc/49/07/90/435490790.db2.gz JGEWMASVDSHLAB-HOCLYGCPSA-N 1 1 305.422 3.428 20 5 DGBDMO CC[C@@H]1CCC[N@@H+](CCOc2ccc(OC)cc2[N+](=O)[O-])C1 ZINC000483052461 435493539 /nfs/dbraw/zinc/49/35/39/435493539.db2.gz WEEQXTKNRUYQFM-CYBMUJFWSA-N 1 1 308.378 3.104 20 5 DGBDMO Cc1ccc2c(c1)CC[N@H+](CCOc1ccccc1[N+](=O)[O-])C2 ZINC000484008184 435537797 /nfs/dbraw/zinc/53/77/97/435537797.db2.gz QABQZZJAGAJLQL-UHFFFAOYSA-N 1 1 312.369 3.340 20 5 DGBDMO C[C@H]1C[N@@H+](C)C[C@@H]1C(=O)Nc1ccc(C(C)(C)C)c([N+](=O)[O-])c1 ZINC000488333121 435637069 /nfs/dbraw/zinc/63/70/69/435637069.db2.gz CMPDZNSFBVDGBJ-AAEUAGOBSA-N 1 1 319.405 3.029 20 5 DGBDMO Cc1cc(N2CC[N@H+](C3CCC3)C[C@H](C)C2)c(F)cc1[N+](=O)[O-] ZINC000488716231 435641027 /nfs/dbraw/zinc/64/10/27/435641027.db2.gz QEITZKWHQZICOE-LBPRGKRZSA-N 1 1 321.396 3.353 20 5 DGBDMO CCC[N@@H+](CCC(=O)Nc1ccc([N+](=O)[O-])cc1C)C(C)C ZINC000570939810 435663738 /nfs/dbraw/zinc/66/37/38/435663738.db2.gz MOJXEICRBUZXEG-UHFFFAOYSA-N 1 1 307.394 3.352 20 5 DGBDMO O=[N+]([O-])c1ccc([C@@H]2CCC[N@H+]([C@@H]3CCCC[C@H]3O)C2)cc1 ZINC000570670065 435639801 /nfs/dbraw/zinc/63/98/01/435639801.db2.gz DTGWJVHCJIPKHQ-DJIMGWMZSA-N 1 1 304.390 3.078 20 5 DGBDMO CC(C)C[C@@H](CN[C@@H]1CCc2c1cccc2[N+](=O)[O-])[NH+](C)C ZINC000571225187 435688163 /nfs/dbraw/zinc/68/81/63/435688163.db2.gz VSTZGLRUAQBCOI-XJKSGUPXSA-N 1 1 305.422 3.148 20 5 DGBDMO C[C@@H](CN[C@@H]1CCc2c1cccc2[N+](=O)[O-])[NH+]1CCC(C)CC1 ZINC000571536371 435713702 /nfs/dbraw/zinc/71/37/02/435713702.db2.gz FXQHLJNWSCOADV-WMLDXEAASA-N 1 1 317.433 3.292 20 5 DGBDMO CC1(C)C[N@@H+](Cc2nc3cc([N+](=O)[O-])ccc3[nH]2)[C@H]2CCC[C@@H]21 ZINC000550063520 435791984 /nfs/dbraw/zinc/79/19/84/435791984.db2.gz NRCSGZNHMVGYAB-WFASDCNBSA-N 1 1 314.389 3.482 20 5 DGBDMO COc1cc(C)nc(C[NH2+][C@H](C)c2cccc([N+](=O)[O-])c2)c1 ZINC000299716111 533700760 /nfs/dbraw/zinc/70/07/60/533700760.db2.gz RKHGQBORZOFMPU-GFCCVEGCSA-N 1 1 301.346 3.158 20 5 DGBDMO CCOCC[NH2+][C@@H](c1ccc(CC)o1)c1ccc([N+](=O)[O-])cc1 ZINC000543407861 314132212 /nfs/dbraw/zinc/13/22/12/314132212.db2.gz YAGXJAMPRUVPTK-QGZVFWFLSA-N 1 1 318.373 3.466 20 5 DGBDMO COc1ccc(C[N@@H+](C)CCc2ccccc2[N+](=O)[O-])c(F)c1 ZINC000563257832 315095953 /nfs/dbraw/zinc/09/59/53/315095953.db2.gz NUMYKVFMJAUGGT-UHFFFAOYSA-N 1 1 318.348 3.417 20 5 DGBDMO C[N@@H+](CCc1ccccc1[N+](=O)[O-])Cc1c[nH]nc1C(C)(C)C ZINC000566705340 315368495 /nfs/dbraw/zinc/36/84/95/315368495.db2.gz GAUUQKHAOWUXGN-UHFFFAOYSA-N 1 1 316.405 3.290 20 5 DGBDMO O=C(CC[N@H+]1CC[C@@H]2CCCC[C@@H]21)Nc1ccc([N+](=O)[O-])cc1 ZINC000576983668 316189253 /nfs/dbraw/zinc/18/92/53/316189253.db2.gz XEYKNTYUGRHEQJ-BBRMVZONSA-N 1 1 317.389 3.188 20 5 DGBDMO CC[C@H](CN[C@H]1CCCc2ccc([N+](=O)[O-])cc21)[NH+]1CCCC1 ZINC000577457162 316237113 /nfs/dbraw/zinc/23/71/13/316237113.db2.gz DIFOVFVMBOFLQM-QAPCUYQASA-N 1 1 317.433 3.436 20 5 DGBDMO O=[N+]([O-])c1c(NCc2c[nH+]c3n2CCCC3)ccc2ncccc21 ZINC000577901394 316283090 /nfs/dbraw/zinc/28/30/90/316283090.db2.gz NBYLXODFTXHRJK-UHFFFAOYSA-N 1 1 323.356 3.288 20 5 DGBDMO C[C@@H]1CC[N@H+](Cc2nc3cc([N+](=O)[O-])ccc3[nH]2)CC12CCC2 ZINC000583791521 324397306 /nfs/dbraw/zinc/39/73/06/324397306.db2.gz GSOSLWYJWKBUDC-GFCCVEGCSA-N 1 1 314.389 3.483 20 5 DGBDMO C[C@@H]1CC[N@@H+](Cc2nc3cc([N+](=O)[O-])ccc3[nH]2)CC12CCC2 ZINC000583791521 324397309 /nfs/dbraw/zinc/39/73/09/324397309.db2.gz GSOSLWYJWKBUDC-GFCCVEGCSA-N 1 1 314.389 3.483 20 5 DGBDMO Cc1ccc(CN2CC[N@H+]([C@@H]3C[C@@H]3C)C[C@@H](C)C2)cc1[N+](=O)[O-] ZINC000430119374 533933932 /nfs/dbraw/zinc/93/39/32/533933932.db2.gz GFVBRQYYOMIYPK-JLJPHGGASA-N 1 1 317.433 3.065 20 5 DGBDMO CS[C@@H]1CC[N@H+](Cc2cc([N+](=O)[O-])ccc2OC(F)F)C1 ZINC000295020835 533980161 /nfs/dbraw/zinc/98/01/61/533980161.db2.gz KOGDJEXUZGWGAN-LLVKDONJSA-N 1 1 318.345 3.134 20 5 DGBDMO CS[C@@H]1CC[N@@H+](Cc2cc([N+](=O)[O-])ccc2OC(F)F)C1 ZINC000295020835 533980169 /nfs/dbraw/zinc/98/01/69/533980169.db2.gz KOGDJEXUZGWGAN-LLVKDONJSA-N 1 1 318.345 3.134 20 5 DGBDMO Cc1ccc([N+](=O)[O-])c(NCCC[N@H+](C)Cc2ccccc2)n1 ZINC000303379146 534328390 /nfs/dbraw/zinc/32/83/90/534328390.db2.gz ROOUJIHZDZILAL-UHFFFAOYSA-N 1 1 314.389 3.232 20 5 DGBDMO C[N@H+](CCOCc1ccccc1)Cc1ccccc1[N+](=O)[O-] ZINC000154638481 522901326 /nfs/dbraw/zinc/90/13/26/522901326.db2.gz GBDXHXJMRUCZBJ-UHFFFAOYSA-N 1 1 300.358 3.243 20 5 DGBDMO C[N@@H+](CCOCc1ccccc1)Cc1ccccc1[N+](=O)[O-] ZINC000154638481 522901332 /nfs/dbraw/zinc/90/13/32/522901332.db2.gz GBDXHXJMRUCZBJ-UHFFFAOYSA-N 1 1 300.358 3.243 20 5 DGBDMO Cc1c([C@@H](C)NCC[N@@H+]2CCC[C@H](C)C2)cccc1[N+](=O)[O-] ZINC000156684224 525893686 /nfs/dbraw/zinc/89/36/86/525893686.db2.gz MFFFKMPVPWPOKG-DZGCQCFKSA-N 1 1 305.422 3.286 20 5 DGBDMO Cc1c([C@@H](C)NCC[N@H+]2CCC[C@H](C)C2)cccc1[N+](=O)[O-] ZINC000156684224 525893692 /nfs/dbraw/zinc/89/36/92/525893692.db2.gz MFFFKMPVPWPOKG-DZGCQCFKSA-N 1 1 305.422 3.286 20 5 DGBDMO CC(=O)c1ccc(NCC[N@H+]2CCCC(C)(C)C2)c([N+](=O)[O-])c1 ZINC000443944836 527316507 /nfs/dbraw/zinc/31/65/07/527316507.db2.gz ILDBHQHGGWJXLB-UHFFFAOYSA-N 1 1 319.405 3.331 20 5 DGBDMO CC[N@@H+](CCOc1ccc(OC)cc1[N+](=O)[O-])[C@H](C)C(C)C ZINC000441285277 528574515 /nfs/dbraw/zinc/57/45/15/528574515.db2.gz LPWKKSILHSHNGQ-CYBMUJFWSA-N 1 1 310.394 3.349 20 5 DGBDMO CC(C)[C@@H]1CCC[N@@H+](Cc2nc3cc([N+](=O)[O-])ccc3[nH]2)C1 ZINC000444688001 528668338 /nfs/dbraw/zinc/66/83/38/528668338.db2.gz IFFBPRBEDKBTFP-GFCCVEGCSA-N 1 1 302.378 3.339 20 5 DGBDMO CCC1(C)CC[NH+](Cc2nc3cc([N+](=O)[O-])ccc3[nH]2)CC1 ZINC000444604494 529023154 /nfs/dbraw/zinc/02/31/54/529023154.db2.gz AVRXKUMCYLNOGO-UHFFFAOYSA-N 1 1 302.378 3.483 20 5 DGBDMO CC[N@H+]1CCC[C@H]1CNc1ccnc2c1cccc2[N+](=O)[O-] ZINC000317247595 529106860 /nfs/dbraw/zinc/10/68/60/529106860.db2.gz JYJDPQBUBNLJNZ-LBPRGKRZSA-N 1 1 300.362 3.039 20 5 DGBDMO CCCCC[N@@H+](CCO)C/C(C)=C/c1cccc([N+](=O)[O-])c1 ZINC000470175477 535042003 /nfs/dbraw/zinc/04/20/03/535042003.db2.gz QQPIDBVLMBTGKK-NTCAYCPXSA-N 1 1 306.406 3.483 20 5 DGBDMO CCCC[N@@H+](C)CCNC(=O)c1ccc(C(C)C)c([N+](=O)[O-])c1 ZINC000473532623 535223269 /nfs/dbraw/zinc/22/32/69/535223269.db2.gz MQJKZHODEZCITR-UHFFFAOYSA-N 1 1 321.421 3.180 20 5 DGBDMO CO[C@H]1CC[N@@H+](Cc2cc([N+](=O)[O-])ccc2OC(C)C)C[C@H]1C ZINC000451551553 536750780 /nfs/dbraw/zinc/75/07/80/536750780.db2.gz WKTIDLSDQACJBT-CJNGLKHVSA-N 1 1 322.405 3.239 20 5 DGBDMO COCCc1cc[nH+]c(N[C@@H](C)Cc2ccccc2[N+](=O)[O-])c1 ZINC000449323170 536832646 /nfs/dbraw/zinc/83/26/46/536832646.db2.gz SJZVYUNHRNVIGF-ZDUSSCGKSA-N 1 1 315.373 3.222 20 5 DGBDMO COc1ccc(C[N@H+]2C[C@@H](C3CC3)[C@H]2C2CC2)cc1[N+](=O)[O-] ZINC000449534212 536861995 /nfs/dbraw/zinc/86/19/95/536861995.db2.gz GIFOKSZJRLONCI-WMLDXEAASA-N 1 1 302.374 3.224 20 5 DGBDMO CC[N@H+]1CC[C@H](N(C)c2ccc(C(C)=O)cc2[N+](=O)[O-])C[C@@H]1C ZINC000740870594 574944055 /nfs/dbraw/zinc/94/40/55/574944055.db2.gz FZOHFTGYDILELK-WFASDCNBSA-N 1 1 319.405 3.106 20 5 DGBDMO CC(C)(C)C[N@@H+](CCCO)Cc1cc(Cl)ccc1[N+](=O)[O-] ZINC000746665194 575467697 /nfs/dbraw/zinc/46/76/97/575467697.db2.gz ADJSJYXTGHCULA-UHFFFAOYSA-N 1 1 314.813 3.479 20 5 DGBDMO Cc1cc(NC[C@@H]2CC[N@H+](C3CC3)C2)c(Cl)cc1[N+](=O)[O-] ZINC000747209989 575506073 /nfs/dbraw/zinc/50/60/73/575506073.db2.gz PYNGLSNWBIBIAW-NSHDSACASA-N 1 1 309.797 3.453 20 5 DGBDMO Cc1nn(C[N@H+]2CC[C@@H](c3ccccc3C)C2)c(C)c1[N+](=O)[O-] ZINC000725777820 575911998 /nfs/dbraw/zinc/91/19/98/575911998.db2.gz HCQXMMMPYBBSQD-OAHLLOKOSA-N 1 1 314.389 3.164 20 5 DGBDMO CC(C)CO[C@@H]1CC[N@H+](Cc2ccc(Cl)c([N+](=O)[O-])c2)C1 ZINC000154319221 620660732 /nfs/dbraw/zinc/66/07/32/620660732.db2.gz XRRXNGVQUWEWNB-CYBMUJFWSA-N 1 1 312.797 3.495 20 5 DGBDMO CC(C)CO[C@@H]1CC[N@@H+](Cc2ccc(Cl)c([N+](=O)[O-])c2)C1 ZINC000154319221 620660734 /nfs/dbraw/zinc/66/07/34/620660734.db2.gz XRRXNGVQUWEWNB-CYBMUJFWSA-N 1 1 312.797 3.495 20 5 DGBDMO COc1cc(N2CCC[N@H+](C(C)(C)C)CC2)c([N+](=O)[O-])cc1C ZINC000853240016 620680837 /nfs/dbraw/zinc/68/08/37/620680837.db2.gz FIUXOQROEPDBFX-UHFFFAOYSA-N 1 1 321.421 3.222 20 5 DGBDMO CC(C)(C)[N@H+]1CC[C@@H](Nc2nc3ccc([N+](=O)[O-])cc3s2)C1 ZINC000853764317 620735504 /nfs/dbraw/zinc/73/55/04/620735504.db2.gz SWGXKKHYJCAPKN-SNVBAGLBSA-N 1 1 320.418 3.489 20 5 DGBDMO CC[N@H+](Cc1cccs1)Cc1ccc(O)c(OC)c1[N+](=O)[O-] ZINC000891510979 617821026 /nfs/dbraw/zinc/82/10/26/617821026.db2.gz LCRCQLVCIXCGMC-UHFFFAOYSA-N 1 1 322.386 3.393 20 5 DGBDMO CC[N@@H+](Cc1cccs1)Cc1ccc(O)c(OC)c1[N+](=O)[O-] ZINC000891510979 617821036 /nfs/dbraw/zinc/82/10/36/617821036.db2.gz LCRCQLVCIXCGMC-UHFFFAOYSA-N 1 1 322.386 3.393 20 5 DGBDMO COc1c(O)ccc(C[N@H+]2CCC[C@@H]2C2CCC2)c1[N+](=O)[O-] ZINC000891870813 617916227 /nfs/dbraw/zinc/91/62/27/617916227.db2.gz RUVYJTRZQSZLJN-CYBMUJFWSA-N 1 1 306.362 3.074 20 5 DGBDMO Cc1nn(C)c(C[NH2+][C@H](C)c2cccc([N+](=O)[O-])c2)c1Cl ZINC000892622888 618120667 /nfs/dbraw/zinc/12/06/67/618120667.db2.gz UDQMDCGWQIWZEB-SECBINFHSA-N 1 1 308.769 3.141 20 5 DGBDMO COCCOc1ccc(C[NH2+][C@@H](C)c2cccc([N+](=O)[O-])c2)o1 ZINC000892621188 618120682 /nfs/dbraw/zinc/12/06/82/618120682.db2.gz IGCCBCLGTJDCRB-LBPRGKRZSA-N 1 1 320.345 3.064 20 5 DGBDMO Cc1n[nH]c(C[N@H+]2CCC[C@H](c3ccc([N+](=O)[O-])cc3)C2)c1C ZINC000894899923 618493629 /nfs/dbraw/zinc/49/36/29/618493629.db2.gz CNLIDYDIECLVEW-HNNXBMFYSA-N 1 1 314.389 3.314 20 5 DGBDMO Cc1ccc([N+](=O)[O-])c(C)c1C[N@H+]1CC[C@H]([C@H]2CCCO2)C1 ZINC000895846705 618841086 /nfs/dbraw/zinc/84/10/86/618841086.db2.gz WSKHIURUFAOLMP-WMLDXEAASA-N 1 1 304.390 3.213 20 5 DGBDMO Cc1nn(C)c(C[NH2+][C@H](C)c2ccc([N+](=O)[O-])cc2)c1Cl ZINC000896509714 618919428 /nfs/dbraw/zinc/91/94/28/618919428.db2.gz ILBYJZDUWRAMIS-SECBINFHSA-N 1 1 308.769 3.141 20 5 DGBDMO CSc1ccc([N+](=O)[O-])cc1[C@@H](C)NCC1=CC[N@H+](C)CC1 ZINC000872054482 619099029 /nfs/dbraw/zinc/09/90/29/619099029.db2.gz XAHSVLDTVAHGCJ-GFCCVEGCSA-N 1 1 321.446 3.229 20 5 DGBDMO CSc1ccc([N+](=O)[O-])cc1[C@@H](C)NCC1=CC[N@@H+](C)CC1 ZINC000872054482 619099031 /nfs/dbraw/zinc/09/90/31/619099031.db2.gz XAHSVLDTVAHGCJ-GFCCVEGCSA-N 1 1 321.446 3.229 20 5 DGBDMO Cc1ccc(-c2noc([C@@H]3CCC[N@@H+]3C(C)C)n2)cc1[N+](=O)[O-] ZINC000923821707 619149474 /nfs/dbraw/zinc/14/94/74/619149474.db2.gz RBKAJYMIRIKNIX-ZDUSSCGKSA-N 1 1 316.361 3.499 20 5 DGBDMO C[C@H](C[NH2+][C@@H]1C[C@H](N)c2ccccc21)c1ccccc1[N+](=O)[O-] ZINC000902428324 619634335 /nfs/dbraw/zinc/63/43/35/619634335.db2.gz BULKSIIIEWTMAI-OAUYIBNBSA-N 1 1 311.385 3.433 20 5 DGBDMO C[C@H](CN[C@@H]1C[C@H]([NH3+])c2ccccc21)c1ccccc1[N+](=O)[O-] ZINC000902428324 619634336 /nfs/dbraw/zinc/63/43/36/619634336.db2.gz BULKSIIIEWTMAI-OAUYIBNBSA-N 1 1 311.385 3.433 20 5 DGBDMO C[C@H](NC1C[C@H]2CC[C@@H](C1)[N@@H+]2C1CC1)c1ccc([N+](=O)[O-])cc1 ZINC000903177231 619730582 /nfs/dbraw/zinc/73/05/82/619730582.db2.gz IXXBMNVLDNUTTR-BINIMTDWSA-N 1 1 315.417 3.403 20 5 DGBDMO Cc1c([C@H](C)[NH2+]Cc2cc(N(C)C)ccn2)cccc1[N+](=O)[O-] ZINC000903201766 619736146 /nfs/dbraw/zinc/73/61/46/619736146.db2.gz MUGGBOKDNHBRCS-ZDUSSCGKSA-N 1 1 314.389 3.215 20 5 DGBDMO COc1cc([C@H](C)[NH2+][C@H](C)c2nccnc2C)cc([N+](=O)[O-])c1 ZINC000903216756 619740139 /nfs/dbraw/zinc/74/01/39/619740139.db2.gz HXUCNIBVPURUCZ-CMPLNLGQSA-N 1 1 316.361 3.114 20 5 DGBDMO CCc1onc(C)c1C[NH2+][C@H](C)c1cc(OC)cc([N+](=O)[O-])c1 ZINC000903227850 619744056 /nfs/dbraw/zinc/74/40/56/619744056.db2.gz RIGJWAHJHKKMQF-SNVBAGLBSA-N 1 1 319.361 3.313 20 5 DGBDMO COc1cc([N+](=O)[O-])ccc1[C@H](C)[NH2+][C@H](C)c1cncs1 ZINC000903312133 619758164 /nfs/dbraw/zinc/75/81/64/619758164.db2.gz SOFMMOGVWNNMRH-VHSXEESVSA-N 1 1 307.375 3.472 20 5 DGBDMO COc1ccnc([C@H](C)[NH2+][C@@H](C)c2cccc([N+](=O)[O-])c2)c1 ZINC000924798746 619924760 /nfs/dbraw/zinc/92/47/60/619924760.db2.gz PEYRAIOLIKUFTM-RYUDHWBXSA-N 1 1 301.346 3.410 20 5 DGBDMO O=[N+]([O-])CC[NH2+][C@H](c1nc2ccccc2[nH]1)C1CCCCC1 ZINC000905407884 619994621 /nfs/dbraw/zinc/99/46/21/619994621.db2.gz GQNWXMOFOAQGDU-HNNXBMFYSA-N 1 1 302.378 3.051 20 5 DGBDMO CC(=O)c1ccc(OCC[C@H]2CCCC[N@@H+]2C)c([N+](=O)[O-])c1 ZINC000906504076 620103499 /nfs/dbraw/zinc/10/34/99/620103499.db2.gz UYDXOJMDKTXDDK-CQSZACIVSA-N 1 1 306.362 3.051 20 5 DGBDMO Cc1ccc([N+](=O)[O-])c(C)c1NC(=O)[C@H]1CC[C@@H]2CCCC[N@@H+]12 ZINC000908268957 620197465 /nfs/dbraw/zinc/19/74/65/620197465.db2.gz RYPLFHNXGDAIMI-DZGCQCFKSA-N 1 1 317.389 3.167 20 5 DGBDMO CC(C)(C)c1coc(C[NH2+]CCc2cccc([N+](=O)[O-])c2)n1 ZINC000921941102 620970678 /nfs/dbraw/zinc/97/06/78/620970678.db2.gz ZAXQANKSYVZDQG-UHFFFAOYSA-N 1 1 303.362 3.213 20 5 DGBDMO C[C@@H]([NH2+]Cc1ccnn1C1CCC1)c1ccccc1[N+](=O)[O-] ZINC000921966448 620974344 /nfs/dbraw/zinc/97/43/44/620974344.db2.gz JGRYNAVCTVDPPZ-GFCCVEGCSA-N 1 1 300.362 3.367 20 5 DGBDMO CC1(C)CC[C@H](CO)[N@H+](Cc2ccc(Cl)c([N+](=O)[O-])c2)C1 ZINC000856804645 621024075 /nfs/dbraw/zinc/02/40/75/621024075.db2.gz XLKWGDWRUWWAEV-GFCCVEGCSA-N 1 1 312.797 3.231 20 5 DGBDMO CC1(C)CC[C@H](CO)[N@@H+](Cc2ccc(Cl)c([N+](=O)[O-])c2)C1 ZINC000856804645 621024081 /nfs/dbraw/zinc/02/40/81/621024081.db2.gz XLKWGDWRUWWAEV-GFCCVEGCSA-N 1 1 312.797 3.231 20 5 DGBDMO CCOc1cccc(C[NH2+][C@H](C)c2ccc([N+](=O)[O-])cc2)n1 ZINC000922537687 621051961 /nfs/dbraw/zinc/05/19/61/621051961.db2.gz IYGQQCGUAUNFKW-GFCCVEGCSA-N 1 1 301.346 3.239 20 5 DGBDMO Cn1nc(C[NH2+]C/C=C\c2ccccc2[N+](=O)[O-])cc1C1CC1 ZINC000922954611 621136824 /nfs/dbraw/zinc/13/68/24/621136824.db2.gz KYZARNGVAWCJKG-XQRVVYSFSA-N 1 1 312.373 3.009 20 5 DGBDMO C[N@H+]1CCCC[C@H](CNc2nc3ccc([N+](=O)[O-])cc3s2)C1 ZINC000858715660 621216067 /nfs/dbraw/zinc/21/60/67/621216067.db2.gz RBGCHMZFNSEZAT-LLVKDONJSA-N 1 1 320.418 3.348 20 5 DGBDMO O=[N+]([O-])c1cc(C[N@H+]2CCC[C@](O)(c3ccccc3)C2)cs1 ZINC000859584516 621295496 /nfs/dbraw/zinc/29/54/96/621295496.db2.gz UQYCMEAPOYERDM-MRXNPFEDSA-N 1 1 318.398 3.140 20 5 DGBDMO O=[N+]([O-])c1cc(C[N@@H+]2CCC[C@](O)(c3ccccc3)C2)cs1 ZINC000859584516 621295499 /nfs/dbraw/zinc/29/54/99/621295499.db2.gz UQYCMEAPOYERDM-MRXNPFEDSA-N 1 1 318.398 3.140 20 5 DGBDMO C/C=C\C[C@@H]1CCC[N@@H+](C[C@H](O)c2cccc([N+](=O)[O-])c2)C1 ZINC000860182727 621378630 /nfs/dbraw/zinc/37/86/30/621378630.db2.gz BRJZIUBQKRAVMV-MKXCZPOJSA-N 1 1 304.390 3.306 20 5 DGBDMO C[N@H+](CCc1cncs1)Cc1cc([N+](=O)[O-])ccc1Cl ZINC000839506935 621382274 /nfs/dbraw/zinc/38/22/74/621382274.db2.gz RYJDZKYOFLJUTQ-UHFFFAOYSA-N 1 1 311.794 3.379 20 5 DGBDMO C[N@@H+](CCc1cncs1)Cc1cc([N+](=O)[O-])ccc1Cl ZINC000839506935 621382275 /nfs/dbraw/zinc/38/22/75/621382275.db2.gz RYJDZKYOFLJUTQ-UHFFFAOYSA-N 1 1 311.794 3.379 20 5 DGBDMO O=[N+]([O-])c1ccc(F)cc1C[NH2+][C@H](CCO)c1cccs1 ZINC000754385149 621507151 /nfs/dbraw/zinc/50/71/51/621507151.db2.gz IMGGGTDWSPRMOU-GFCCVEGCSA-N 1 1 310.350 3.009 20 5 DGBDMO C[C@H]1C[NH+](Cn2ncc3ccc([N+](=O)[O-])cc32)C[C@H](C)C1(F)F ZINC000863274065 621658686 /nfs/dbraw/zinc/65/86/86/621658686.db2.gz HKZIJMGTLIQOAF-QWRGUYRKSA-N 1 1 324.331 3.125 20 5 DGBDMO C[C@@H]1C[N@@H+](Cn2ncc3ccc([N+](=O)[O-])cc32)C[C@H](C)C1(F)F ZINC000863274063 621658865 /nfs/dbraw/zinc/65/88/65/621658865.db2.gz HKZIJMGTLIQOAF-PHIMTYICSA-N 1 1 324.331 3.125 20 5 DGBDMO C[C@@H]1C[N@H+](Cn2ncc3ccc([N+](=O)[O-])cc32)C[C@H](C)C1(F)F ZINC000863274063 621658867 /nfs/dbraw/zinc/65/88/67/621658867.db2.gz HKZIJMGTLIQOAF-PHIMTYICSA-N 1 1 324.331 3.125 20 5 DGBDMO O=[N+]([O-])c1ccc2c(cnn2C[N@H+]2CCCC3(CC3)CC2)c1 ZINC000863330214 621663979 /nfs/dbraw/zinc/66/39/79/621663979.db2.gz KHECGLGJRIHVRI-UHFFFAOYSA-N 1 1 300.362 3.168 20 5 DGBDMO Cc1c(Cc2noc([C@H]([NH3+])CCC(C)C)n2)cccc1[N+](=O)[O-] ZINC000863664241 621697137 /nfs/dbraw/zinc/69/71/37/621697137.db2.gz UWOAKWVKNPNIKM-CYBMUJFWSA-N 1 1 318.377 3.313 20 5 DGBDMO Cc1nn(C[N@H+]2CCCC(C)(C)C2)c2cc([N+](=O)[O-])ccc12 ZINC000761289897 621999620 /nfs/dbraw/zinc/99/96/20/621999620.db2.gz CXCWVSIPLNKIKD-UHFFFAOYSA-N 1 1 302.378 3.332 20 5 DGBDMO Cn1cc(C(F)F)c(C[NH2+]C/C=C/c2ccccc2[N+](=O)[O-])n1 ZINC000865809548 621999695 /nfs/dbraw/zinc/99/96/95/621999695.db2.gz WTRVOXXRMREAON-GQCTYLIASA-N 1 1 322.315 3.069 20 5 DGBDMO O=[N+]([O-])c1ccc(C[N@H+]2CCC[C@H]([C@H]3CCOC3)C2)cc1Cl ZINC000761516112 622014211 /nfs/dbraw/zinc/01/42/11/622014211.db2.gz ZBOJYWVEZLAQPE-KBPBESRZSA-N 1 1 324.808 3.497 20 5 DGBDMO O=[N+]([O-])c1ccc2[nH+]ccc(NCCC3SCCS3)c2c1 ZINC000865952536 622025625 /nfs/dbraw/zinc/02/56/25/622025625.db2.gz MEKUXGQHWYJKEP-UHFFFAOYSA-N 1 1 321.427 3.173 20 5 DGBDMO C[N@H+]1CCN(c2ccc3cnccc3c2[N+](=O)[O-])CCC1(C)C ZINC000866112663 622047436 /nfs/dbraw/zinc/04/74/36/622047436.db2.gz ICKSBVBSVPOCSJ-UHFFFAOYSA-N 1 1 314.389 3.064 20 5 DGBDMO CCC(=O)c1ccc(N2CC[N@@H+](C)C(C)(C)CC2)c([N+](=O)[O-])c1 ZINC000866112467 622047546 /nfs/dbraw/zinc/04/75/46/622047546.db2.gz CCDOBFDSXKRDAG-UHFFFAOYSA-N 1 1 319.405 3.108 20 5 DGBDMO Cc1nn(C[N@@H+]2CC3(CCC3)C[C@@H]2C)c2ccc([N+](=O)[O-])cc12 ZINC000762138875 622056439 /nfs/dbraw/zinc/05/64/39/622056439.db2.gz NNUYNAFXHURRMF-LBPRGKRZSA-N 1 1 314.389 3.475 20 5 DGBDMO CC(C)N1CCC([NH2+][C@@H](C)Cc2ccc(F)cc2[N+](=O)[O-])CC1 ZINC000866290420 622086166 /nfs/dbraw/zinc/08/61/66/622086166.db2.gz XPNPGFDCKHNVGN-ZDUSSCGKSA-N 1 1 323.412 3.127 20 5 DGBDMO C[C@H](Cc1ccc(F)cc1[N+](=O)[O-])[NH2+][C@H]1CCCc2c[nH]nc21 ZINC000866305287 622089720 /nfs/dbraw/zinc/08/97/20/622089720.db2.gz GCGQYUMQMKFFST-YGRLFVJLSA-N 1 1 318.352 3.055 20 5 DGBDMO CC[C@@H]1CCC[N@@H+](Cn2nc(C)c3cc([N+](=O)[O-])ccc32)C1 ZINC000764883281 622229791 /nfs/dbraw/zinc/22/97/91/622229791.db2.gz CZYPYDRNQVDKLP-CYBMUJFWSA-N 1 1 302.378 3.332 20 5 DGBDMO Cc1nn(C[N@@H+]2C[C@@H](C)S[C@@H](C)C2)c2ccc([N+](=O)[O-])cc12 ZINC000765040200 622241815 /nfs/dbraw/zinc/24/18/15/622241815.db2.gz HAXPKTXLBAVIQM-PHIMTYICSA-N 1 1 320.418 3.036 20 5 DGBDMO Cc1nn(C[N@H+]2C[C@@H](C)S[C@@H](C)C2)c2ccc([N+](=O)[O-])cc12 ZINC000765040200 622241818 /nfs/dbraw/zinc/24/18/18/622241818.db2.gz HAXPKTXLBAVIQM-PHIMTYICSA-N 1 1 320.418 3.036 20 5 DGBDMO CC[N@H+]1C[C@H](C)N(c2nc3ccc([N+](=O)[O-])cc3s2)C[C@@H]1C ZINC000765635915 622278942 /nfs/dbraw/zinc/27/89/42/622278942.db2.gz NWLGHJAXZCKPJW-QWRGUYRKSA-N 1 1 320.418 3.123 20 5 DGBDMO Cc1nn(C[N@@H+]2CC[C@H](C)[C@@H](C)C2)c2ccc([N+](=O)[O-])cc12 ZINC000766375321 622325116 /nfs/dbraw/zinc/32/51/16/622325116.db2.gz UGMNKJBTEZJSMI-RYUDHWBXSA-N 1 1 302.378 3.188 20 5 DGBDMO Cc1nn(C[N@@H+]2CC[C@H](C)[C@H](C)C2)c2cc([N+](=O)[O-])ccc12 ZINC000766376339 622325380 /nfs/dbraw/zinc/32/53/80/622325380.db2.gz ZMOAVYCHUGYWKX-NWDGAFQWSA-N 1 1 302.378 3.188 20 5 DGBDMO O=[N+]([O-])c1cnn(C[N@@H+]2CCC[C@@H]2CCCc2ccccc2)c1 ZINC000767763569 622420721 /nfs/dbraw/zinc/42/07/21/622420721.db2.gz VAKCMMJNEIJFKS-INIZCTEOSA-N 1 1 314.389 3.236 20 5 DGBDMO O=[N+]([O-])c1cnn(C[N@H+]2CCC[C@@H]2CCCc2ccccc2)c1 ZINC000767763569 622420723 /nfs/dbraw/zinc/42/07/23/622420723.db2.gz VAKCMMJNEIJFKS-INIZCTEOSA-N 1 1 314.389 3.236 20 5 DGBDMO C[C@@H](C[C@H]1CCCC[N@H+]1C)OC(=O)c1ccccc1[N+](=O)[O-] ZINC000870789912 622511494 /nfs/dbraw/zinc/51/14/94/622511494.db2.gz ZMTBAPHTNPBSBS-QWHCGFSZSA-N 1 1 306.362 3.015 20 5 DGBDMO C[N@@H+](Cc1c2ccccc2cc2ccccc21)[C@@H]1CCNC1=O ZINC000770380045 622627165 /nfs/dbraw/zinc/62/71/65/622627165.db2.gz LEKDPBCYLCDOIB-LJQANCHMSA-N 1 1 304.393 3.313 20 5 DGBDMO Cc1[nH+]ccn1CCCOc1cc(Cl)c([N+](=O)[O-])cc1F ZINC000871801266 622703193 /nfs/dbraw/zinc/70/31/93/622703193.db2.gz NJUFRXNHIHZJFV-UHFFFAOYSA-N 1 1 313.716 3.361 20 5 DGBDMO COc1cc(F)c([N+](=O)[O-])c(Nc2ccc3[nH+]c(C)cn3c2)c1 ZINC000771217530 622728699 /nfs/dbraw/zinc/72/86/99/622728699.db2.gz BNDXAHBNNFJKJU-UHFFFAOYSA-N 1 1 316.292 3.442 20 5 DGBDMO C[C@H]([NH2+]Cc1cccc(CO)c1)c1c(F)cccc1[N+](=O)[O-] ZINC000872034152 622764582 /nfs/dbraw/zinc/76/45/82/622764582.db2.gz LVILGALCWAKNJZ-NSHDSACASA-N 1 1 304.321 3.077 20 5 DGBDMO CSc1ccc([N+](=O)[O-])cc1[C@H](C)N[C@H]1CC[N@@H+](C)[C@H](C)C1 ZINC000872037670 622767440 /nfs/dbraw/zinc/76/74/40/622767440.db2.gz DOWYLZSLNPONGP-AGIUHOORSA-N 1 1 323.462 3.450 20 5 DGBDMO CSc1ccc([N+](=O)[O-])cc1[C@H](C)[NH2+][C@H]1CCN(C)[C@H](C)C1 ZINC000872037670 622767445 /nfs/dbraw/zinc/76/74/45/622767445.db2.gz DOWYLZSLNPONGP-AGIUHOORSA-N 1 1 323.462 3.450 20 5 DGBDMO CSc1ccc([N+](=O)[O-])cc1[C@H](C)[NH2+][C@H](C)c1cn[nH]c1 ZINC000872052947 622777856 /nfs/dbraw/zinc/77/78/56/622777856.db2.gz UNCHRSXCPQGPQP-ZJUUUORDSA-N 1 1 306.391 3.452 20 5 DGBDMO C[N@@H+](Cc1ccc(Cl)c([N+](=O)[O-])c1)[C@H](CO)c1ccccc1 ZINC000772739905 622934528 /nfs/dbraw/zinc/93/45/28/622934528.db2.gz FSBWFTATIYYYGF-MRXNPFEDSA-N 1 1 320.776 3.414 20 5 DGBDMO CC[N@H+]1CCC[C@H](CNCc2c(C)ccc([N+](=O)[O-])c2C)C1 ZINC000873029931 623021214 /nfs/dbraw/zinc/02/12/14/623021214.db2.gz WCOGAKXOKLFHIG-OAHLLOKOSA-N 1 1 305.422 3.033 20 5 DGBDMO Cc1c(CNC[C@H]2CCC[N@H+](C(C)C)C2)cccc1[N+](=O)[O-] ZINC000873044622 623025015 /nfs/dbraw/zinc/02/50/15/623025015.db2.gz SQZOQVKSOLKFBZ-OAHLLOKOSA-N 1 1 305.422 3.113 20 5 DGBDMO Cc1ccc([N+](=O)[O-])c(C)c1C[NH2+][C@@H]1C[C@H](C)n2ccnc21 ZINC000873129913 623042911 /nfs/dbraw/zinc/04/29/11/623042911.db2.gz UAIAHTGBPDUHJV-SMDDNHRTSA-N 1 1 300.362 3.204 20 5 DGBDMO Cc1c(C[NH2+][C@H](c2ccccc2F)[C@@H](C)O)cccc1[N+](=O)[O-] ZINC000873133376 623044437 /nfs/dbraw/zinc/04/44/37/623044437.db2.gz GIQROHSMAVZLKR-PXAZEXFGSA-N 1 1 318.348 3.254 20 5 DGBDMO Cc1ccc([N+](=O)[O-])c(C)c1C[NH2+]Cc1nn(C)cc1C(F)F ZINC000873151923 623051117 /nfs/dbraw/zinc/05/11/17/623051117.db2.gz DDMOCWLPLRVPJN-UHFFFAOYSA-N 1 1 324.331 3.173 20 5 DGBDMO C[C@@H]([NH2+]Cc1cccc2c1OCCO2)c1ccccc1[N+](=O)[O-] ZINC000873184256 623064607 /nfs/dbraw/zinc/06/46/07/623064607.db2.gz IGLRMANFSPEQKX-GFCCVEGCSA-N 1 1 314.341 3.217 20 5 DGBDMO CC(C)(C)[C@@]1(C[NH3+])CCN(C/C=C\c2ccccc2[N+](=O)[O-])C1 ZINC000873222889 623080490 /nfs/dbraw/zinc/08/04/90/623080490.db2.gz DIKZVVOTCHZZNJ-XOWYPZSQSA-N 1 1 317.433 3.305 20 5 DGBDMO Cc1ccc(CN[C@@H]2CCC[C@@H]2[C@@H]2CCCC[NH2+]2)cc1[N+](=O)[O-] ZINC000873249916 623091135 /nfs/dbraw/zinc/09/11/35/623091135.db2.gz DFBLJHWBJURRPY-IXDOHACOSA-N 1 1 317.433 3.304 20 5 DGBDMO C[C@@H]1C[C@H](C)C[N@@H+]1Cn1ncc2cc([N+](=O)[O-])cc(Cl)c21 ZINC000774639258 623169302 /nfs/dbraw/zinc/16/93/02/623169302.db2.gz UYHFMAYOFRIYOJ-VHSXEESVSA-N 1 1 308.769 3.286 20 5 DGBDMO CC(C)(C)[C@H]1CC[N@@H+](Cc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])C1 ZINC000775061620 623224355 /nfs/dbraw/zinc/22/43/55/623224355.db2.gz YRISATXKKRWADK-LBPRGKRZSA-N 1 1 307.350 3.371 20 5 DGBDMO O=[N+]([O-])c1ccc([C@@H](O)C[N@H+]2Cc3ccccc3C3(CC3)C2)cc1 ZINC000775870295 623344694 /nfs/dbraw/zinc/34/46/94/623344694.db2.gz CTDGQCOCIIKVER-SFHVURJKSA-N 1 1 324.380 3.176 20 5 DGBDMO C[C@@H](c1ccc(F)cc1)[N@@H+](C)C[C@@H](O)c1ccc([N+](=O)[O-])cc1 ZINC000776274402 623405357 /nfs/dbraw/zinc/40/53/57/623405357.db2.gz HJCLVGVBSYAAOL-YVEFUNNKSA-N 1 1 318.348 3.460 20 5 DGBDMO CC[N@H+](Cc1ccccc1C)C[C@@H](O)c1ccc([N+](=O)[O-])cc1 ZINC000776276572 623406184 /nfs/dbraw/zinc/40/61/84/623406184.db2.gz KQNMQDANDGSWRQ-GOSISDBHSA-N 1 1 314.385 3.459 20 5 DGBDMO C[C@@H]1c2ccccc2CC[N@@H+]1C[C@@H](O)c1ccc([N+](=O)[O-])cc1 ZINC000776582674 623442870 /nfs/dbraw/zinc/44/28/70/623442870.db2.gz SVUMKWATDXOBGN-FZKQIMNGSA-N 1 1 312.369 3.248 20 5 DGBDMO C[C@@H]1C[N@@H+](C[C@@H](O)c2ccc([N+](=O)[O-])cc2)[C@@H]1c1ccccc1 ZINC000776591242 623445366 /nfs/dbraw/zinc/44/53/66/623445366.db2.gz HZCDDFHBMDEETR-XWIAVFTESA-N 1 1 312.369 3.321 20 5 DGBDMO C[C@@H](c1cccc(O)c1)[N@@H+](C)C[C@@H](O)c1ccc([N+](=O)[O-])cc1 ZINC000776593120 623445381 /nfs/dbraw/zinc/44/53/81/623445381.db2.gz PDAZGSYXSDQFSZ-YVEFUNNKSA-N 1 1 316.357 3.027 20 5 DGBDMO C[C@@H]1CCC[N@@H+](Cn2cc(-c3cccc([N+](=O)[O-])c3)cn2)C1 ZINC000777950127 623588967 /nfs/dbraw/zinc/58/89/67/623588967.db2.gz HCLUKHBRZUZAEA-CYBMUJFWSA-N 1 1 300.362 3.148 20 5 DGBDMO C[N@H+](Cc1cc(Cl)ccc1[N+](=O)[O-])C[C@@H]1CCCC[C@H]1O ZINC000778245439 623631477 /nfs/dbraw/zinc/63/14/77/623631477.db2.gz LPEHYJWEUXMUHO-XHDPSFHLSA-N 1 1 312.797 3.231 20 5 DGBDMO C[C@H](OC(=O)C(C)(C)[NH+]1CCCC1)c1ccccc1[N+](=O)[O-] ZINC000805612052 623678212 /nfs/dbraw/zinc/67/82/12/623678212.db2.gz IIKNKHJJFADIGF-LBPRGKRZSA-N 1 1 306.362 3.073 20 5 DGBDMO CCc1ccc(OC(=O)[C@@H](CC)[NH+](CC)CC)c([N+](=O)[O-])c1 ZINC000778647659 623679749 /nfs/dbraw/zinc/67/97/49/623679749.db2.gz WKUZTMGLGWVNPH-CYBMUJFWSA-N 1 1 308.378 3.183 20 5 DGBDMO Cc1nccn1CCC[N@H+](C)Cc1c(C)ccc([N+](=O)[O-])c1C ZINC000877527327 623924378 /nfs/dbraw/zinc/92/43/78/623924378.db2.gz KITWZRBPJCZNPF-UHFFFAOYSA-N 1 1 316.405 3.239 20 5 DGBDMO Cc1csc([C@H]2CC[N@H+](Cc3csc([N+](=O)[O-])c3)C2)n1 ZINC000877813309 624044784 /nfs/dbraw/zinc/04/47/84/624044784.db2.gz KTRQHFNOJDWVHW-NSHDSACASA-N 1 1 309.416 3.411 20 5 DGBDMO Cc1csc([C@H]2CC[N@@H+](Cc3csc([N+](=O)[O-])c3)C2)n1 ZINC000877813309 624044788 /nfs/dbraw/zinc/04/47/88/624044788.db2.gz KTRQHFNOJDWVHW-NSHDSACASA-N 1 1 309.416 3.411 20 5 DGBDMO C[C@@H]1C[N@H+](Cc2ccc([N+](=O)[O-])cc2)CC[C@H](C(F)(F)F)O1 ZINC000877823463 624054181 /nfs/dbraw/zinc/05/41/81/624054181.db2.gz LQEOZMRINJJRTE-ZWNOBZJWSA-N 1 1 318.295 3.137 20 5 DGBDMO C[C@@H]1C[N@@H+](Cc2ccc([N+](=O)[O-])cc2)CC[C@H](C(F)(F)F)O1 ZINC000877823463 624054184 /nfs/dbraw/zinc/05/41/84/624054184.db2.gz LQEOZMRINJJRTE-ZWNOBZJWSA-N 1 1 318.295 3.137 20 5 DGBDMO C[C@H]1C[N@H+](Cc2ccc([N+](=O)[O-])cc2)CC[C@H](C(F)(F)F)O1 ZINC000877823461 624055063 /nfs/dbraw/zinc/05/50/63/624055063.db2.gz LQEOZMRINJJRTE-GXFFZTMASA-N 1 1 318.295 3.137 20 5 DGBDMO C[C@H]1C[N@@H+](Cc2ccc([N+](=O)[O-])cc2)CC[C@H](C(F)(F)F)O1 ZINC000877823461 624055066 /nfs/dbraw/zinc/05/50/66/624055066.db2.gz LQEOZMRINJJRTE-GXFFZTMASA-N 1 1 318.295 3.137 20 5 DGBDMO C[C@@H]1CC[C@]2(CC[N@@H+](Cn3ncc4cc([N+](=O)[O-])ccc43)C2)C1 ZINC000781585563 624097583 /nfs/dbraw/zinc/09/75/83/624097583.db2.gz NYZHZHZGGHFRDZ-DYVFJYSZSA-N 1 1 314.389 3.414 20 5 DGBDMO CC1(C)CCC[N@H+]1Cc1nnc(-c2ccccc2[N+](=O)[O-])o1 ZINC000878047175 624148440 /nfs/dbraw/zinc/14/84/40/624148440.db2.gz CNFQYVMHZYPCLR-UHFFFAOYSA-N 1 1 302.334 3.019 20 5 DGBDMO C[C@@H]1CCC[N@@H+](Cc2nnc(-c3ccccc3[N+](=O)[O-])o2)[C@H]1C ZINC000878128582 624181079 /nfs/dbraw/zinc/18/10/79/624181079.db2.gz ANNXMTAESKLHBL-NEPJUHHUSA-N 1 1 316.361 3.265 20 5 DGBDMO CC[C@H]1C[C@@H](C)C[N@H+]1CCC(=O)Nc1cc([N+](=O)[O-])ccc1F ZINC000782502695 624257357 /nfs/dbraw/zinc/25/73/57/624257357.db2.gz FPCHKYIUKQOSDA-NEPJUHHUSA-N 1 1 323.368 3.183 20 5 DGBDMO O=[N+]([O-])c1ccc(C[N@@H+]2CCC[C@@H](n3ccnc3)C2)cc1Cl ZINC000783557120 624365912 /nfs/dbraw/zinc/36/59/12/624365912.db2.gz PFGWCZPVEKHVPL-CYBMUJFWSA-N 1 1 320.780 3.282 20 5 DGBDMO O=[N+]([O-])c1ccc(C[N@H+]2CCC[C@@H](n3ccnc3)C2)cc1Cl ZINC000783557120 624365914 /nfs/dbraw/zinc/36/59/14/624365914.db2.gz PFGWCZPVEKHVPL-CYBMUJFWSA-N 1 1 320.780 3.282 20 5 DGBDMO C[N@H+]1CCN(Cc2ccc([N+](=O)[O-])c(F)c2)C2(CCCCC2)C1 ZINC000788483154 625193825 /nfs/dbraw/zinc/19/38/25/625193825.db2.gz RXUUOMOPOXMONL-UHFFFAOYSA-N 1 1 321.396 3.184 20 5 DGBDMO C[C@@H](NC1CC(C)(C)[NH2+]C(C)(C)C1)c1ccc(N)c([N+](=O)[O-])c1 ZINC000788504469 625200038 /nfs/dbraw/zinc/20/00/38/625200038.db2.gz RAEPSRQJHWHDKP-LLVKDONJSA-N 1 1 320.437 3.137 20 5 DGBDMO C[C@@H]([NH2+]Cc1ccc(F)cc1F)c1ccc(N)c([N+](=O)[O-])c1 ZINC000788574982 625218091 /nfs/dbraw/zinc/21/80/91/625218091.db2.gz VUIDHWDGMCWAQO-SECBINFHSA-N 1 1 307.300 3.306 20 5 DGBDMO C[C@@H](CO)[N@H+](Cc1cc([N+](=O)[O-])ccc1Cl)CC1CCC1 ZINC000796544624 626061350 /nfs/dbraw/zinc/06/13/50/626061350.db2.gz BRGOEFIEOQSEAZ-NSHDSACASA-N 1 1 312.797 3.231 20 5 DGBDMO C[C@@H](CO)[N@H+](Cc1cc(Cl)ccc1[N+](=O)[O-])CC1CCC1 ZINC000796556854 626061846 /nfs/dbraw/zinc/06/18/46/626061846.db2.gz SDAIHUMYAUUTLL-NSHDSACASA-N 1 1 312.797 3.231 20 5 DGBDMO Cc1nn(C[N@H+]2CC(C)=C[C@H](C)C2)c2ccc([N+](=O)[O-])cc12 ZINC000797417151 626141282 /nfs/dbraw/zinc/14/12/82/626141282.db2.gz MTXGOUOUVLYFDU-NSHDSACASA-N 1 1 300.362 3.108 20 5 DGBDMO COc1ccc([N+](=O)[O-])cc1C[NH2+]Cc1cc(C)nc(Cl)c1 ZINC000797600007 626158106 /nfs/dbraw/zinc/15/81/06/626158106.db2.gz BRJAEIPPZJZTTG-UHFFFAOYSA-N 1 1 321.764 3.250 20 5 DGBDMO C[C@@H](O)C[N@@H+](Cc1ccccc1)Cc1ccc([N+](=O)[O-])c(F)c1 ZINC000801517660 626407047 /nfs/dbraw/zinc/40/70/47/626407047.db2.gz KBZJTLIQPRVHLU-CYBMUJFWSA-N 1 1 318.348 3.117 20 5 DGBDMO 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/nfs/dbraw/zinc/95/13/48/626951348.db2.gz RGROEUFDOQPHTR-SJKOYZFVSA-N 1 1 313.357 3.148 20 5 DGBDMO CCOCC[N@H+](C)Cc1cc(Cl)cc(Cl)c1[N+](=O)[O-] ZINC000809970139 626964181 /nfs/dbraw/zinc/96/41/81/626964181.db2.gz OQMUQXVYQXVQME-UHFFFAOYSA-N 1 1 307.177 3.370 20 5 DGBDMO CCOCC[N@@H+](C)Cc1cc(Cl)cc(Cl)c1[N+](=O)[O-] ZINC000809970139 626964183 /nfs/dbraw/zinc/96/41/83/626964183.db2.gz OQMUQXVYQXVQME-UHFFFAOYSA-N 1 1 307.177 3.370 20 5 DGBDMO O=[N+]([O-])c1ncccc1C[N@H+]1CCC[C@H]1Cc1cccc(F)c1 ZINC000885959183 627070153 /nfs/dbraw/zinc/07/01/53/627070153.db2.gz UYSBMVIYHLXNAP-INIZCTEOSA-N 1 1 315.348 3.336 20 5 DGBDMO O=[N+]([O-])c1ncccc1C[N@H+](Cc1cccc(O)c1)CC1CC1 ZINC000886008655 627082375 /nfs/dbraw/zinc/08/23/75/627082375.db2.gz RUEWEHPMAKNASZ-UHFFFAOYSA-N 1 1 313.357 3.108 20 5 DGBDMO O=[N+]([O-])c1ncccc1C[N@@H+](Cc1cccc(O)c1)CC1CC1 ZINC000886008655 627082378 /nfs/dbraw/zinc/08/23/78/627082378.db2.gz RUEWEHPMAKNASZ-UHFFFAOYSA-N 1 1 313.357 3.108 20 5 DGBDMO C[C@@H](c1ccccc1[N+](=O)[O-])[N@H+]1CCC[C@H](c2ncccn2)C1 ZINC000886680691 627188531 /nfs/dbraw/zinc/18/85/31/627188531.db2.gz JYMDJRZEVZEBDN-KBPBESRZSA-N 1 1 312.373 3.325 20 5 DGBDMO Cc1ccc(C[N@H+]2CCC[C@@H](c3ncccn3)C2)cc1[N+](=O)[O-] ZINC000886689891 627191291 /nfs/dbraw/zinc/19/12/91/627191291.db2.gz JYOZNWMBQZJUCQ-OAHLLOKOSA-N 1 1 312.373 3.073 20 5 DGBDMO C[N@H+]1CCC[C@@]2(CCN(c3cc(Cl)ccc3[N+](=O)[O-])C2)C1 ZINC000814909834 627606408 /nfs/dbraw/zinc/60/64/08/627606408.db2.gz OCFLVISTQRCZSB-OAHLLOKOSA-N 1 1 309.797 3.170 20 5 DGBDMO C[C@@H](c1ccc([N+](=O)[O-])cc1)[N@@H+]1CCOc2ccc(N)cc2C1 ZINC000925751247 627787453 /nfs/dbraw/zinc/78/74/53/627787453.db2.gz XTGKSQVWMKNDRN-LBPRGKRZSA-N 1 1 313.357 3.133 20 5 DGBDMO C[C@@H](c1ccc([N+](=O)[O-])cc1)[N@H+]1CCOc2ccc(N)cc2C1 ZINC000925751247 627787455 /nfs/dbraw/zinc/78/74/55/627787455.db2.gz XTGKSQVWMKNDRN-LBPRGKRZSA-N 1 1 313.357 3.133 20 5 DGBDMO COc1ccnc([C@H](C)[NH2+]Cc2cccc([N+](=O)[O-])c2C)c1 ZINC000926268593 627872018 /nfs/dbraw/zinc/87/20/18/627872018.db2.gz HVMKHJDCYCENKK-LBPRGKRZSA-N 1 1 301.346 3.158 20 5 DGBDMO O=[N+]([O-])c1ccc(C[N@@H+]2CCC[C@@H](CCO)CC2)cc1Cl ZINC000817419898 627898329 /nfs/dbraw/zinc/89/83/29/627898329.db2.gz ZGHYJSAVHMJSCC-GFCCVEGCSA-N 1 1 312.797 3.233 20 5 DGBDMO C[N@H+]1CCC[C@H](CCNc2nc3ccc([N+](=O)[O-])cc3s2)C1 ZINC000840342391 627911007 /nfs/dbraw/zinc/91/10/07/627911007.db2.gz YOIRAXFHKCCDCD-LLVKDONJSA-N 1 1 320.418 3.348 20 5 DGBDMO Cc1ccc([N+](=O)[O-])cc1[C@H](C)[NH2+]Cc1cc(C2CC2)n(C)n1 ZINC000927112748 628018077 /nfs/dbraw/zinc/01/80/77/628018077.db2.gz RCTUCFJTVMEQKN-LBPRGKRZSA-N 1 1 314.389 3.365 20 5 DGBDMO COc1cc([C@@H](C)[NH2+][C@@H](C)c2ccc(C)c([N+](=O)[O-])c2)on1 ZINC000820822756 628300649 /nfs/dbraw/zinc/30/06/49/628300649.db2.gz KKFVOYGHGCBVHS-WDEREUQCSA-N 1 1 305.334 3.312 20 5 DGBDMO CCOC(C[N@H+]1CCC[C@@H](c2ccc([N+](=O)[O-])cc2)C1)OCC ZINC000831539480 629388285 /nfs/dbraw/zinc/38/82/85/629388285.db2.gz RWXOKOFONBFPGN-OAHLLOKOSA-N 1 1 322.405 3.173 20 5 DGBDMO CC(C)[N@H+]1CCCC[C@H]1COC(=O)c1ccc(F)cc1[N+](=O)[O-] ZINC000837574606 630277869 /nfs/dbraw/zinc/27/78/69/630277869.db2.gz ZIBUAUDCJVHDFL-ZDUSSCGKSA-N 1 1 324.352 3.154 20 5 DGBDMO Cc1c(C(=O)OC[C@H]2CCC[N@H+](C(C)C)C2)cccc1[N+](=O)[O-] ZINC000842835074 630583001 /nfs/dbraw/zinc/58/30/01/630583001.db2.gz VDLMEVYEYBYSCH-AWEZNQCLSA-N 1 1 320.389 3.180 20 5 DGBDMO CC(C)[N@H+]1CCC[C@@H](COC(=O)c2cc(F)cc([N+](=O)[O-])c2)C1 ZINC000842834773 630583035 /nfs/dbraw/zinc/58/30/35/630583035.db2.gz ZXFQZISPCURXQP-GFCCVEGCSA-N 1 1 324.352 3.011 20 5 DGBDMO O=[N+]([O-])c1ccc(Cl)cc1CN1CCC[C@H]([C@H]2CC[NH2+]C2)C1 ZINC000843125604 630616293 /nfs/dbraw/zinc/61/62/93/630616293.db2.gz YNTZGUWENLZJOP-STQMWFEESA-N 1 1 323.824 3.070 20 5 DGBDMO CC(C)[C@H]1[N@@H+](C[C@@H](O)c2cccc([N+](=O)[O-])c2)CC12CC=CC2 ZINC000843296495 630643201 /nfs/dbraw/zinc/64/32/01/630643201.db2.gz MGXXSBCSROUPDI-IAGOWNOFSA-N 1 1 316.401 3.305 20 5 DGBDMO CCCN(Cc1ccc([N+](=O)[O-])c(Cl)c1)[C@@H]1CC[N@@H+](C)C1 ZINC000843422113 630656367 /nfs/dbraw/zinc/65/63/67/630656367.db2.gz LLXXYPUKYYXILH-CYBMUJFWSA-N 1 1 311.813 3.164 20 5 DGBDMO CCC[N@H+](Cc1ccc([N+](=O)[O-])c(Cl)c1)[C@@H]1CCN(C)C1 ZINC000843422113 630656368 /nfs/dbraw/zinc/65/63/68/630656368.db2.gz LLXXYPUKYYXILH-CYBMUJFWSA-N 1 1 311.813 3.164 20 5 DGBDMO CCC[N@@H+](Cc1ccc([N+](=O)[O-])c(Cl)c1)[C@@H]1CCN(C)C1 ZINC000843422113 630656370 /nfs/dbraw/zinc/65/63/70/630656370.db2.gz LLXXYPUKYYXILH-CYBMUJFWSA-N 1 1 311.813 3.164 20 5 DGBDMO Cn1cncc1CCC[N@@H+](C)Cc1cc([N+](=O)[O-])ccc1Cl ZINC000846817480 631317524 /nfs/dbraw/zinc/31/75/24/631317524.db2.gz MFFQKRJXDGNUNS-UHFFFAOYSA-N 1 1 322.796 3.046 20 5 DGBDMO C[C@@H]1C[C@H](C)[N@@H+](Cn2cc(-c3ccccc3[N+](=O)[O-])cn2)C1 ZINC000848479432 631667690 /nfs/dbraw/zinc/66/76/90/631667690.db2.gz AFXAJJQLLNIETH-OLZOCXBDSA-N 1 1 300.362 3.146 20 5 DGBDMO CC[C@H]1CCC[N@H+]1Cn1cc(-c2ccccc2[N+](=O)[O-])cn1 ZINC000848476855 631667937 /nfs/dbraw/zinc/66/79/37/631667937.db2.gz JCPZOXDVTHTHTO-AWEZNQCLSA-N 1 1 300.362 3.290 20 5 DGBDMO Cn1c(Cl)ncc1C[NH2+]C(C)(C)c1ccccc1[N+](=O)[O-] ZINC000848554078 631690884 /nfs/dbraw/zinc/69/08/84/631690884.db2.gz VEHOWDGLWVCEII-UHFFFAOYSA-N 1 1 308.769 3.007 20 5 DGBDMO O=[N+]([O-])c1ccc(Cl)c(CN[C@@H]2CCC[N@H+]3CCCC[C@@H]23)c1 ZINC000848575490 631701289 /nfs/dbraw/zinc/70/12/89/631701289.db2.gz RILYNIAUIDYFJR-CVEARBPZSA-N 1 1 323.824 3.355 20 5 DGBDMO O=[N+]([O-])c1ccc(Cl)c(C[NH2+][C@@H]2CCCN3CCCC[C@@H]23)c1 ZINC000848575490 631701293 /nfs/dbraw/zinc/70/12/93/631701293.db2.gz RILYNIAUIDYFJR-CVEARBPZSA-N 1 1 323.824 3.355 20 5 DGBDMO O=[N+]([O-])c1ccc(CN[C@H]2CCC[N@@H+]3CCCC[C@H]23)cc1Cl ZINC000848927634 631791348 /nfs/dbraw/zinc/79/13/48/631791348.db2.gz JLCUUYVTQHAGNQ-GOEBONIOSA-N 1 1 323.824 3.355 20 5 DGBDMO O=[N+]([O-])c1ccc(CN[C@H]2CCC[N@H+]3CCCC[C@H]23)cc1Cl ZINC000848927634 631791352 /nfs/dbraw/zinc/79/13/52/631791352.db2.gz JLCUUYVTQHAGNQ-GOEBONIOSA-N 1 1 323.824 3.355 20 5 DGBDMO CO[C@H](C[N@H+](C)Cc1cc([N+](=O)[O-])ccc1Cl)C1CCC1 ZINC000851821206 632503766 /nfs/dbraw/zinc/50/37/66/632503766.db2.gz RHRBCSHAAFPZBR-OAHLLOKOSA-N 1 1 312.797 3.495 20 5 DGBDMO CO[C@H](C[N@@H+](C)Cc1cc([N+](=O)[O-])ccc1Cl)C1CCC1 ZINC000851821206 632503769 /nfs/dbraw/zinc/50/37/69/632503769.db2.gz RHRBCSHAAFPZBR-OAHLLOKOSA-N 1 1 312.797 3.495 20 5 DGBDMO O=[N+]([O-])c1cc(C[N@@H+](C2CC2)C2(CO)CCC2)ccc1Cl ZINC000852159356 632565670 /nfs/dbraw/zinc/56/56/70/632565670.db2.gz VRRGZGHFIMXAPL-UHFFFAOYSA-N 1 1 310.781 3.128 20 5 DGBDMO C[C@H](CO)[C@@H]1CCCC[N@H+]1Cc1cc(Cl)ccc1[N+](=O)[O-] ZINC000852422933 632603018 /nfs/dbraw/zinc/60/30/18/632603018.db2.gz NTVNJQGWCCSNGJ-RISCZKNCSA-N 1 1 312.797 3.231 20 5 DGBDMO C[C@H]1CCC[N@@H+](Cc2cc(Cl)ccc2[N+](=O)[O-])[C@H]1CCO ZINC000852455988 632605693 /nfs/dbraw/zinc/60/56/93/632605693.db2.gz HMTASBUPIVHJDC-FZMZJTMJSA-N 1 1 312.797 3.231 20 5 DGBDMO C[C@@]12COC[C@]1(C)C[N@@H+](Cc1cc(Cl)ccc1[N+](=O)[O-])C2 ZINC000852461993 632606049 /nfs/dbraw/zinc/60/60/49/632606049.db2.gz CYISARZEASXCLL-GASCZTMLSA-N 1 1 310.781 3.107 20 5 DGBDMO C[C@@]12COC[C@]1(C)C[N@H+](Cc1cc(Cl)ccc1[N+](=O)[O-])C2 ZINC000852461993 632606051 /nfs/dbraw/zinc/60/60/51/632606051.db2.gz CYISARZEASXCLL-GASCZTMLSA-N 1 1 310.781 3.107 20 5 DGBDMO CC[N@@H+](CC1CCC1)Cn1nc(C)c2ccc([N+](=O)[O-])cc21 ZINC000794687957 661099077 /nfs/dbraw/zinc/09/90/77/661099077.db2.gz JNYNNTGZQWWKBJ-UHFFFAOYSA-N 1 1 302.378 3.332 20 5 DGBDMO O=[N+]([O-])c1cnn(C[N@H+]2C[C@H](c3ccccc3)[C@H]3CCC[C@@H]32)c1 ZINC000795686697 661167863 /nfs/dbraw/zinc/16/78/63/661167863.db2.gz HXXFMOFEQSQCAF-ZACQAIPSSA-N 1 1 312.373 3.017 20 5 DGBDMO Cc1csc(C[C@H]2CC[N@@H+](Cc3ccccc3[N+](=O)[O-])C2)n1 ZINC000933125897 655683605 /nfs/dbraw/zinc/68/36/05/655683605.db2.gz LGCLJSOVVNMYAD-CYBMUJFWSA-N 1 1 317.414 3.424 20 5 DGBDMO O=[N+]([O-])c1ccccc1-c1nnc(C[N@H+]2CC[C@@H]3CCC[C@@H]32)o1 ZINC000934338648 655769152 /nfs/dbraw/zinc/76/91/52/655769152.db2.gz DQPVTJMKHPHSAJ-AAEUAGOBSA-N 1 1 314.345 3.019 20 5 DGBDMO CC[N@@H+](CCc1ccccc1)C[C@H](O)c1cccc([N+](=O)[O-])c1 ZINC000178574746 656934004 /nfs/dbraw/zinc/93/40/04/656934004.db2.gz RTXUNUAJPOWQHW-SFHVURJKSA-N 1 1 314.385 3.193 20 5 DGBDMO Cc1ccc([N+](=O)[O-])c(N2CCC[C@H](c3[nH+]ccn3C)C2)c1 ZINC000443945824 659711522 /nfs/dbraw/zinc/71/15/22/659711522.db2.gz KETWBBAHUUWQTQ-ZDUSSCGKSA-N 1 1 300.362 3.021 20 5 DGBDMO Cc1cc(C[N@H+](Cc2ccc([N+](=O)[O-])cc2)C(C)C)c(C)nn1 ZINC000929337209 661298624 /nfs/dbraw/zinc/29/86/24/661298624.db2.gz CGKLFNWFVDPIES-UHFFFAOYSA-N 1 1 314.389 3.412 20 5 DGBDMO COC/C(C)=C/C[N@H+]1CCC[C@H](c2ccc([N+](=O)[O-])cc2)C1 ZINC000930636368 661417558 /nfs/dbraw/zinc/41/75/58/661417558.db2.gz GBNKLPDGXXFOKR-IDJPSDCMSA-N 1 1 304.390 3.367 20 5 DGBDMO O=[N+]([O-])c1ccc2[nH]c(C[NH2+][C@H](c3ccccn3)C3CC3)nc2c1 ZINC000932384279 661564932 /nfs/dbraw/zinc/56/49/32/661564932.db2.gz QPQDWYOKBVKMAT-KRWDZBQOSA-N 1 1 323.356 3.107 20 5 DGBDMO Cc1csc(C[C@H]2CC[N@@H+](Cc3cccc([N+](=O)[O-])c3)C2)n1 ZINC000933130455 661619348 /nfs/dbraw/zinc/61/93/48/661619348.db2.gz MQWMSNFCQNMVRA-CQSZACIVSA-N 1 1 317.414 3.424 20 5 DGBDMO COc1cc(C[NH2+][C@@H](C)c2cncs2)c([N+](=O)[O-])cc1F ZINC000934196414 661686203 /nfs/dbraw/zinc/68/62/03/661686203.db2.gz ZRLUHOFNONKUMA-QMMMGPOBSA-N 1 1 311.338 3.050 20 5 DGBDMO CC[C@H](NC(=O)[C@H]1CCC[N@H+]1C(C)C)c1cccc([N+](=O)[O-])c1 ZINC000934208967 661688232 /nfs/dbraw/zinc/68/82/32/661688232.db2.gz HKUNWHLGPOFZAG-JKSUJKDBSA-N 1 1 319.405 3.035 20 5 DGBDMO CC1(C)C[N@H+](C/C=C/c2ccccc2[N+](=O)[O-])[C@H]1[C@H]1CCCO1 ZINC000956943765 662337110 /nfs/dbraw/zinc/33/71/10/662337110.db2.gz GFXDPCBFVNCFAK-VBXGELDYSA-N 1 1 316.401 3.497 20 5 DGBDMO CC1(C)C[N@@H+](C/C=C/c2ccccc2[N+](=O)[O-])[C@H]1[C@H]1CCCO1 ZINC000956943765 662337113 /nfs/dbraw/zinc/33/71/13/662337113.db2.gz GFXDPCBFVNCFAK-VBXGELDYSA-N 1 1 316.401 3.497 20 5 DGBDMO CCC[N@@H+](C)CC(C)(C)NC(=O)c1ccc(CC)c([N+](=O)[O-])c1 ZINC001587984219 1192428441 /nfs/dbraw/zinc/42/84/41/1192428441.db2.gz SIHVLRJVMGORAQ-UHFFFAOYSA-N 1 1 321.421 3.007 20 5 DGBDMO Cc1ccc([N+](=O)[O-])c(C)c1C[N@@H+]1CC[C@](CO)(C(C)C)C1 ZINC001333000192 1178537919 /nfs/dbraw/zinc/53/79/19/1178537919.db2.gz MMKOULOOGJGENM-KRWDZBQOSA-N 1 1 306.406 3.052 20 5 DGBDMO Cc1cc(C[N@H+]2CCC[C@H](c3ccc([N+](=O)[O-])cc3)C2)[nH]n1 ZINC001344075998 1179375025 /nfs/dbraw/zinc/37/50/25/1179375025.db2.gz QUNWNBDAEIQODM-AWEZNQCLSA-N 1 1 300.362 3.006 20 5 DGBDMO CC[N@H+]1CCN(c2cccc(C(F)(F)F)c2[N+](=O)[O-])C[C@@H]1C ZINC001458267790 1182510212 /nfs/dbraw/zinc/51/02/12/1182510212.db2.gz VSDDGEOCBYPVNX-JTQLQIEISA-N 1 1 317.311 3.144 20 5 DGBDMO CC(C)[N@@H+](C)C[C@@H](C)Nc1ncc([N+](=O)[O-])c2ccccc21 ZINC001458372303 1182518992 /nfs/dbraw/zinc/51/89/92/1182518992.db2.gz QYGPZEMJLWZURE-GFCCVEGCSA-N 1 1 302.378 3.284 20 5 DGBDMO O=[N+]([O-])c1ccc(NC[C@@H]2CC[N@H+]2C2CCCCCC2)cn1 ZINC001458544116 1182537804 /nfs/dbraw/zinc/53/78/04/1182537804.db2.gz HFUCDIYCDZCGNT-HNNXBMFYSA-N 1 1 304.394 3.199 20 5 DGBDMO C[C@@H]1CCC[C@H](C[N@H+]2CC[C@@H](Nc3ccc([N+](=O)[O-])cn3)C2)C1 ZINC001459702359 1182606787 /nfs/dbraw/zinc/60/67/87/1182606787.db2.gz VUSCIECIHIHNAP-QLFBSQMISA-N 1 1 318.421 3.302 20 5 DGBDMO CCC[C@@H]1CCC[N@@H+](CCOc2ccc(OC)cc2[N+](=O)[O-])C1 ZINC001459745019 1182612467 /nfs/dbraw/zinc/61/24/67/1182612467.db2.gz VULNNQAELWSNCC-CQSZACIVSA-N 1 1 322.405 3.494 20 5 DGBDMO CC(C)[C@@H]1CCCCC[N@H+]1CC(=O)Nc1ccccc1[N+](=O)[O-] ZINC001459829641 1182620786 /nfs/dbraw/zinc/62/07/86/1182620786.db2.gz FQQBMYFMCCYSIZ-HNNXBMFYSA-N 1 1 319.405 3.434 20 5 DGBDMO COc1ccc(OCC[N@H+]2CC(C)(C)C[C@@H]2C)c([N+](=O)[O-])c1 ZINC001460252672 1182667465 /nfs/dbraw/zinc/66/74/65/1182667465.db2.gz SWUZISNYYPFTNY-LBPRGKRZSA-N 1 1 308.378 3.103 20 5 DGBDMO Cc1ccc([N+](=O)[O-])c(C)c1CNC[C@@H](C)[NH+]1CCCCC1 ZINC001461086522 1182764980 /nfs/dbraw/zinc/76/49/80/1182764980.db2.gz FSJNDCRAMXWYDS-CQSZACIVSA-N 1 1 305.422 3.176 20 5 DGBDMO C[C@@H](C[N@H+]1CCC[C@H](C)C1)Nc1nc2cc([N+](=O)[O-])ccc2[nH]1 ZINC001472668754 1183663820 /nfs/dbraw/zinc/66/38/20/1183663820.db2.gz XJBOZKKATWSJSK-RYUDHWBXSA-N 1 1 317.393 3.003 20 5 DGBDMO CCOC(=O)CCCC[N@@H+](Cc1ccccc1[N+](=O)[O-])C1CC1 ZINC001473294317 1183741384 /nfs/dbraw/zinc/74/13/84/1183741384.db2.gz KUJZPURUYMFABN-UHFFFAOYSA-N 1 1 320.389 3.293 20 5 DGBDMO CC[C@@H]1CC[N@@H+](CCC(=O)Nc2ccccc2[N+](=O)[O-])[C@H]1C ZINC001617359237 1193566485 /nfs/dbraw/zinc/56/64/85/1193566485.db2.gz FEVDTEWSCULCKM-QWHCGFSZSA-N 1 1 305.378 3.044 20 5 DGBDMO CCC[N@@H+](CC)CCNc1ncc([N+](=O)[O-])c2ccccc21 ZINC001559124232 1189173309 /nfs/dbraw/zinc/17/33/09/1189173309.db2.gz HJVOGURRSIAHBM-UHFFFAOYSA-N 1 1 302.378 3.287 20 5 DGBDMO C[N@H+]1CCCC[C@H](CNc2ncc([N+](=O)[O-])c3ccccc32)C1 ZINC001559237076 1189184822 /nfs/dbraw/zinc/18/48/22/1189184822.db2.gz BQYLFKSUFYKQKC-CYBMUJFWSA-N 1 1 314.389 3.287 20 5 DGBDMO O=[N+]([O-])c1cnc(NC[C@H]2CC[N@H+]2C2CCCCCC2)c(F)c1 ZINC001559260206 1189188094 /nfs/dbraw/zinc/18/80/94/1189188094.db2.gz FFUJVUHLEMSRBS-CYBMUJFWSA-N 1 1 322.384 3.338 20 5 DGBDMO COc1ccc(C[N@@H+]2CCO[C@H](C(C)(C)C)CC2)cc1[N+](=O)[O-] ZINC001560235236 1189295611 /nfs/dbraw/zinc/29/56/11/1189295611.db2.gz DQOISROQRVYYEU-INIZCTEOSA-N 1 1 322.405 3.240 20 5 DGBDMO COc1ccc(C[N@H+]2CCO[C@H](C(C)(C)C)CC2)cc1[N+](=O)[O-] ZINC001560235236 1189295616 /nfs/dbraw/zinc/29/56/16/1189295616.db2.gz DQOISROQRVYYEU-INIZCTEOSA-N 1 1 322.405 3.240 20 5 DGBDMO C[C@H]([NH2+]Cc1csc([N+](=O)[O-])c1)c1ccc([N+](=O)[O-])cc1 ZINC001620571102 1193780255 /nfs/dbraw/zinc/78/02/55/1193780255.db2.gz KLUXMEBKWWRSJH-VIFPVBQESA-N 1 1 307.331 3.415 20 5 DGBDMO C[C@H]1CN(Cc2c(F)cccc2[N+](=O)[O-])CC[N@H+]1C1CCCC1 ZINC001620583454 1193781492 /nfs/dbraw/zinc/78/14/92/1193781492.db2.gz LPHMMMXCURBIEO-ZDUSSCGKSA-N 1 1 321.396 3.183 20 5 DGBDMO O=[N+]([O-])c1cccc(C[NH2+]Cc2ccc(Br)o2)c1 ZINC000052926103 1194706067 /nfs/dbraw/zinc/70/60/67/1194706067.db2.gz RLPPSKURTKJKBJ-UHFFFAOYSA-N 1 1 311.135 3.240 20 5 DGBDMO CC[N@H+]1CCCC[C@@H]1CNc1ccc([N+](=O)[O-])c(OC(C)C)n1 ZINC001639463183 1194767658 /nfs/dbraw/zinc/76/76/58/1194767658.db2.gz CNHKXCOZSXWYQZ-CYBMUJFWSA-N 1 1 322.409 3.063 20 5 DGBDMO C[N@H+]1CCCC[C@H]1CNc1nc2ccc([N+](=O)[O-])cc2s1 ZINC001640499865 1194817021 /nfs/dbraw/zinc/81/70/21/1194817021.db2.gz TZXPZXKKDJYKAC-NSHDSACASA-N 1 1 306.391 3.101 20 5 DGBDMO CCCC[N@@H+](C)CCNc1nccc2c1cccc2[N+](=O)[O-] ZINC001642243582 1194895828 /nfs/dbraw/zinc/89/58/28/1194895828.db2.gz BQDNJLAVAWEGPL-UHFFFAOYSA-N 1 1 302.378 3.287 20 5 DGBDMO CC[C@H]1CC[N@@H+](Cc2nc(-c3ccc([N+](=O)[O-])cc3)no2)[C@H]1C ZINC001642792005 1194939535 /nfs/dbraw/zinc/93/95/35/1194939535.db2.gz WMDALIXOWSNLCJ-RYUDHWBXSA-N 1 1 316.361 3.265 20 5 DGBDMO CCC[C@]1(COC)CCC[N@H+]1CCOc1cccc([N+](=O)[O-])c1 ZINC001642897762 1194952284 /nfs/dbraw/zinc/95/22/84/1194952284.db2.gz QWUQIDCYRXSBMH-QGZVFWFLSA-N 1 1 322.405 3.255 20 5 DGBDMO COCC[N@@H+](Cc1ccc(F)cc1[N+](=O)[O-])[C@H]1CC[C@@H](C)C1 ZINC001642938215 1194955170 /nfs/dbraw/zinc/95/51/70/1194955170.db2.gz NUSKTSKFSNHKIC-DOMZBBRYSA-N 1 1 310.369 3.371 20 5 DGBDMO C[N@@H+](CCc1ccc([N+](=O)[O-])cc1)C1CC(OC(C)(C)C)C1 ZINC001643475972 1195027211 /nfs/dbraw/zinc/02/72/11/1195027211.db2.gz JURSRRGZBQGMCU-UHFFFAOYSA-N 1 1 306.406 3.415 20 5 DGBDMO CN(CCCC[NH+]1CCCCC1)Cc1ccc(F)cc1[N+](=O)[O-] ZINC001644301289 1195097809 /nfs/dbraw/zinc/09/78/09/1195097809.db2.gz BAJUMBWXSSELFD-UHFFFAOYSA-N 1 1 323.412 3.432 20 5 DGBDMO O=[N+]([O-])c1ccc(C[N@@H+]2CC[C@H](O)[C@@H]3CCCC[C@H]32)c(Cl)c1 ZINC001648114088 1195276941 /nfs/dbraw/zinc/27/69/41/1195276941.db2.gz LXHZVKOKZJJNIJ-BMFZPTHFSA-N 1 1 324.808 3.374 20 5 DGBDMO COC(=O)C(C)(C)C[N@H+](Cc1ccccc1[N+](=O)[O-])CC(C)C ZINC001648167791 1195281435 /nfs/dbraw/zinc/28/14/35/1195281435.db2.gz UNNDOEIXVUJTQI-UHFFFAOYSA-N 1 1 322.405 3.252 20 5 DGBDMO C[C@@H]([NH2+]CCN1C[C@@H](C)C[C@H](C)C1)c1ccccc1[N+](=O)[O-] ZINC001648229093 1195285178 /nfs/dbraw/zinc/28/51/78/1195285178.db2.gz UQUUTEBHPREXAS-SOUVJXGZSA-N 1 1 305.422 3.223 20 5 DGBDMO O=[N+]([O-])c1cccc(C[N@@H+]2CCC[C@]2(CO)c2ccccc2)c1 ZINC001648635445 1195316254 /nfs/dbraw/zinc/31/62/54/1195316254.db2.gz PLNUKZWYDWRXSN-SFHVURJKSA-N 1 1 312.369 3.078 20 5 DGBDMO COc1ccc([N+](=O)[O-])cc1C[NH2+]Cc1cnc(Cl)c(C)c1 ZINC001650832912 1195386959 /nfs/dbraw/zinc/38/69/59/1195386959.db2.gz LNDNOOUIKAULQI-UHFFFAOYSA-N 1 1 321.764 3.250 20 5 DGBDMO CC[N@H+]1CCCC[C@@H]1CNc1ncc([N+](=O)[O-])c2ccccc21 ZINC001651516305 1195475352 /nfs/dbraw/zinc/47/53/52/1195475352.db2.gz OXWSKZCATGZEIN-CYBMUJFWSA-N 1 1 314.389 3.429 20 5 DGBDMO CC[N@@H+]1CC[C@H]1CNc1c(Cl)c(Cl)ccc1[N+](=O)[O-] ZINC001652157614 1195555738 /nfs/dbraw/zinc/55/57/38/1195555738.db2.gz PHWJBBWSHVHIAR-QMMMGPOBSA-N 1 1 304.177 3.408 20 5 DGBDMO CC[N@H+]1CC[C@H]1CNc1c(Cl)c(Cl)ccc1[N+](=O)[O-] ZINC001652157614 1195555743 /nfs/dbraw/zinc/55/57/43/1195555743.db2.gz PHWJBBWSHVHIAR-QMMMGPOBSA-N 1 1 304.177 3.408 20 5 DGBDMO C[C@@H]1CCC[C@H](C)[N@@H+](CCC(=O)Nc2ccc([N+](=O)[O-])cc2)C1 ZINC001652526042 1195611873 /nfs/dbraw/zinc/61/18/73/1195611873.db2.gz FHPIEKFVJODWOV-KGLIPLIRSA-N 1 1 319.405 3.434 20 5 DGBDMO CO[C@@]1(C)C[C@H]([N@@H+](C)CCOc2cccc([N+](=O)[O-])c2)C1(C)C ZINC001652571080 1195618213 /nfs/dbraw/zinc/61/82/13/1195618213.db2.gz FCHNGONTHJCMGN-RDJZCZTQSA-N 1 1 322.405 3.109 20 5 DGBDMO CC[C@@]1(C)CCC[N@H+]([C@H](C)C(=O)Nc2cccc([N+](=O)[O-])c2)C1 ZINC001653448684 1195723766 /nfs/dbraw/zinc/72/37/66/1195723766.db2.gz DRDJAWQQGQAVEO-DYVFJYSZSA-N 1 1 319.405 3.434 20 5 DGBDMO CO[C@@]1(C)C[C@@H]([N@@H+](C)CCc2ccc([N+](=O)[O-])cc2)C1(C)C ZINC001653449933 1195724060 /nfs/dbraw/zinc/72/40/60/1195724060.db2.gz PBRVJOCFECUASF-WBVHZDCISA-N 1 1 306.406 3.273 20 5 DGBDMO COc1ccc(OCC[N@H+]2[C@H](C)CCC2(C)C)c([N+](=O)[O-])c1 ZINC001653869423 1195756660 /nfs/dbraw/zinc/75/66/60/1195756660.db2.gz RBBXSGGEDQHONF-GFCCVEGCSA-N 1 1 308.378 3.245 20 5 DGBDMO C[C@@H](C(=O)Nc1cccc([N+](=O)[O-])c1)[N@H+]1C[C@@H](C)CC(C)(C)C1 ZINC001653868231 1195756681 /nfs/dbraw/zinc/75/66/81/1195756681.db2.gz LRKDXKYNCNUGKE-STQMWFEESA-N 1 1 319.405 3.290 20 5 DGBDMO C[C@H](C(=O)Nc1cccc([N+](=O)[O-])c1)[N@H+]1C[C@H](C)CC(C)(C)C1 ZINC001653868228 1195756741 /nfs/dbraw/zinc/75/67/41/1195756741.db2.gz LRKDXKYNCNUGKE-CHWSQXEVSA-N 1 1 319.405 3.290 20 5 DGBDMO COc1cc([N+](=O)[O-])ccc1C[N@@H+](C)C1CC(OC(C)(C)C)C1 ZINC001654770983 1195838665 /nfs/dbraw/zinc/83/86/65/1195838665.db2.gz BRPNACJDIJWOSC-UHFFFAOYSA-N 1 1 322.405 3.381 20 5 DGBDMO Cc1n[nH]cc1C[NH2+]Cc1ccc(-c2ccc([N+](=O)[O-])cc2)o1 ZINC001655261630 1195896827 /nfs/dbraw/zinc/89/68/27/1195896827.db2.gz RAQRYQGCTHQVCC-UHFFFAOYSA-N 1 1 312.329 3.176 20 5 DGBDMO Cc1c(CN2CC[N@H+](C)C[C@H]2CC(C)C)cccc1[N+](=O)[O-] ZINC001655683368 1195949700 /nfs/dbraw/zinc/94/97/00/1195949700.db2.gz AJIWKODTLWXINS-MRXNPFEDSA-N 1 1 305.422 3.065 20 5 DGBDMO Cc1c(C[N@H+]2CCN(C)C[C@H]2CC(C)C)cccc1[N+](=O)[O-] ZINC001655683368 1195949703 /nfs/dbraw/zinc/94/97/03/1195949703.db2.gz AJIWKODTLWXINS-MRXNPFEDSA-N 1 1 305.422 3.065 20 5 DGBDMO Cc1c(C[N@@H+]2CCN(C)C[C@H]2CC(C)C)cccc1[N+](=O)[O-] ZINC001655683368 1195949706 /nfs/dbraw/zinc/94/97/06/1195949706.db2.gz AJIWKODTLWXINS-MRXNPFEDSA-N 1 1 305.422 3.065 20 5 DGBDMO COc1cc(Nc2ccc3[nH+]ccn3c2)c([N+](=O)[O-])cc1OC ZINC001655697974 1195951082 /nfs/dbraw/zinc/95/10/82/1195951082.db2.gz TWVDFPNYUQJVSK-UHFFFAOYSA-N 1 1 314.301 3.003 20 5 DGBDMO C[N@H+]1CCN(c2ccc(Cl)cc2[N+](=O)[O-])C[C@@H]1C(C)(C)C ZINC001655801537 1195963804 /nfs/dbraw/zinc/96/38/04/1195963804.db2.gz IPLCCGUIPCUKEG-CQSZACIVSA-N 1 1 311.813 3.415 20 5 DGBDMO Cc1ccc([N+](=O)[O-])c(C)c1CN[C@@H](C)C[N@@H+]1CCC[C@H](C)C1 ZINC001656947323 1196085936 /nfs/dbraw/zinc/08/59/36/1196085936.db2.gz UCSIVRNSMNXZLU-ZFWWWQNUSA-N 1 1 319.449 3.422 20 5 DGBDMO Cc1ccc([N+](=O)[O-])c(C)c1CN[C@@H](C)C[N@H+]1CCC[C@H](C)C1 ZINC001656947323 1196085938 /nfs/dbraw/zinc/08/59/38/1196085938.db2.gz UCSIVRNSMNXZLU-ZFWWWQNUSA-N 1 1 319.449 3.422 20 5 DGBDMO COc1c(O)ccc(C[N@H+]2C[C@H](C)[C@H]3CCCC[C@@H]32)c1[N+](=O)[O-] ZINC001657525656 1196151357 /nfs/dbraw/zinc/15/13/57/1196151357.db2.gz DDEYXRQNEIWMRD-YUTCNCBUSA-N 1 1 320.389 3.320 20 5 DGBDMO CCn1ccc(C[N@@H+]2CCC[C@H](c3ccc([N+](=O)[O-])cc3)C2)n1 ZINC001658144514 1196218021 /nfs/dbraw/zinc/21/80/21/1196218021.db2.gz OHLUQAFOSKDAHQ-HNNXBMFYSA-N 1 1 314.389 3.191 20 5 DGBDMO CCn1ccc(C[N@H+]2CCC[C@H](c3ccc([N+](=O)[O-])cc3)C2)n1 ZINC001658144514 1196218027 /nfs/dbraw/zinc/21/80/27/1196218027.db2.gz OHLUQAFOSKDAHQ-HNNXBMFYSA-N 1 1 314.389 3.191 20 5 DGBDMO CCc1[nH]nc(Cl)c1C[N@H+](C)CCc1cccc([N+](=O)[O-])c1 ZINC001659567415 1196395889 /nfs/dbraw/zinc/39/58/89/1196395889.db2.gz PRLBVHWUIXHBSF-UHFFFAOYSA-N 1 1 322.796 3.208 20 5 DGBDMO CCc1[nH]nc(Cl)c1C[N@@H+](C)CCc1cccc([N+](=O)[O-])c1 ZINC001659567415 1196395894 /nfs/dbraw/zinc/39/58/94/1196395894.db2.gz PRLBVHWUIXHBSF-UHFFFAOYSA-N 1 1 322.796 3.208 20 5 DGBDMO O=[N+]([O-])c1ccc(Cl)c(C[N@@H+]2CC[C@H](c3ncccn3)C2)c1 ZINC001660351769 1196474411 /nfs/dbraw/zinc/47/44/11/1196474411.db2.gz HRTMMNVCAUAVHH-NSHDSACASA-N 1 1 318.764 3.028 20 5 DGBDMO O=[N+]([O-])c1ccc(Cl)c(C[N@H+]2CC[C@H](c3ncccn3)C2)c1 ZINC001660351769 1196474413 /nfs/dbraw/zinc/47/44/13/1196474413.db2.gz HRTMMNVCAUAVHH-NSHDSACASA-N 1 1 318.764 3.028 20 5 DGBDMO Cc1ccc([N+](=O)[O-])c(C)c1CNCC[N@H+]1CCCC1(C)C ZINC001662637778 1196736095 /nfs/dbraw/zinc/73/60/95/1196736095.db2.gz FONUMLDVFMPAJO-UHFFFAOYSA-N 1 1 305.422 3.176 20 5 DGBDMO Cc1ccc([N+](=O)[O-])c(C)c1C[NH2+]CCN1CCCC1(C)C ZINC001662637778 1196736097 /nfs/dbraw/zinc/73/60/97/1196736097.db2.gz FONUMLDVFMPAJO-UHFFFAOYSA-N 1 1 305.422 3.176 20 5 DGBDMO COc1nc(C[NH2+][C@@H](C)c2ccccc2[N+](=O)[O-])ccc1C ZINC001665586970 1197155016 /nfs/dbraw/zinc/15/50/16/1197155016.db2.gz AUAWFXKWFFNQEZ-LBPRGKRZSA-N 1 1 301.346 3.158 20 5 DGBDMO C[C@@H]1CN(c2ccc3ccc4cccnc4c3n2)[C@@H](C)C[N@H+]1C ZINC001164639302 719173941 /nfs/dbraw/zinc/17/39/41/719173941.db2.gz RMAVXRKXBGVJJI-KGLIPLIRSA-N 1 1 306.413 3.312 20 5 DGBDMO COc1ccc(C[C@@H](C)[N@H+]2CCC[C@@H](F)CC2)c([N+](=O)[O-])c1 ZINC001170328385 1082347480 /nfs/dbraw/zinc/34/74/80/1082347480.db2.gz KGZYQAZUCAFMTD-TZMCWYRMSA-N 1 1 310.369 3.358 20 5 DGBDMO COc1ccc(C[C@H](C)[N@H+]2CCCOC(C)(C)C2)c([N+](=O)[O-])c1 ZINC001170344950 1082355115 /nfs/dbraw/zinc/35/51/15/1082355115.db2.gz FUAXASGGOCPGJJ-ZDUSSCGKSA-N 1 1 322.405 3.035 20 5 DGBDMO O=[N+]([O-])c1ccc2c(c1)C[N@@H+](C[C@@H]1CCC3(CCC3)CO1)CC2 ZINC001167647436 1082641918 /nfs/dbraw/zinc/64/19/18/1082641918.db2.gz MJTUYEVFAOHZCI-KRWDZBQOSA-N 1 1 316.401 3.302 20 5 DGBDMO O=[N+]([O-])c1ccc2c(c1)C[N@H+](C[C@@H]1CCC3(CCC3)CO1)CC2 ZINC001167647436 1082641920 /nfs/dbraw/zinc/64/19/20/1082641920.db2.gz MJTUYEVFAOHZCI-KRWDZBQOSA-N 1 1 316.401 3.302 20 5 DGBDMO C[N@@H+](CCc1cccc([N+](=O)[O-])c1)Cc1cc2cnccc2o1 ZINC001181153352 1083421267 /nfs/dbraw/zinc/42/12/67/1083421267.db2.gz BWJYGLXEZMTQEQ-UHFFFAOYSA-N 1 1 311.341 3.411 20 5 DGBDMO CCOc1cnc(NCCC[N@H+]2CCCC[C@H]2C)c([N+](=O)[O-])c1 ZINC001167751156 1083623114 /nfs/dbraw/zinc/62/31/14/1083623114.db2.gz IJUHOMYBKUHWQR-CYBMUJFWSA-N 1 1 322.409 3.065 20 5 DGBDMO Cc1[nH+]c(N)ccc1CNc1ccnc2c1cccc2[N+](=O)[O-] ZINC001167787341 1083954841 /nfs/dbraw/zinc/95/48/41/1083954841.db2.gz VXVKTIHNOBVWPX-UHFFFAOYSA-N 1 1 309.329 3.041 20 5 DGBDMO CC(C)Oc1nc(NCC[N@H+]2CCCC2(C)C)ccc1[N+](=O)[O-] ZINC001186681666 1084693357 /nfs/dbraw/zinc/69/33/57/1084693357.db2.gz VTHAHNDSCMNFJX-UHFFFAOYSA-N 1 1 322.409 3.063 20 5 DGBDMO CN(C[C@@H]1CCC[N@H+]1C)c1ccc(C(F)(F)F)cc1[N+](=O)[O-] ZINC001186763706 1084697892 /nfs/dbraw/zinc/69/78/92/1084697892.db2.gz HXFKTPMATBPTPX-NSHDSACASA-N 1 1 317.311 3.144 20 5 DGBDMO C[N@H+]1CCN(c2nc3ccccc3cc2[N+](=O)[O-])CCC1(C)C ZINC001187189790 1084767860 /nfs/dbraw/zinc/76/78/60/1084767860.db2.gz IJJCMTYTWJYGHV-UHFFFAOYSA-N 1 1 314.389 3.064 20 5 DGBDMO O=[N+]([O-])c1cccc(OC2CC[NH+](CCF)CC2)c1Cl ZINC001225786663 1085626540 /nfs/dbraw/zinc/62/65/40/1085626540.db2.gz WSBPHMVUPBIKNZ-UHFFFAOYSA-N 1 1 302.733 3.061 20 5 DGBDMO CC(C)(C[NH3+])c1ccc(Nc2ccc(O)c([N+](=O)[O-])c2)cc1 ZINC001159581216 1088402372 /nfs/dbraw/zinc/40/23/72/1088402372.db2.gz HUTRUHOQBMLBAH-UHFFFAOYSA-N 1 1 301.346 3.280 20 5 DGBDMO C[N@H+]1CCC[C@@H]1CCNc1ncc([N+](=O)[O-])c2ccccc21 ZINC001160963754 1089047984 /nfs/dbraw/zinc/04/79/84/1089047984.db2.gz HFQFAFYQOVMTQK-GFCCVEGCSA-N 1 1 300.362 3.039 20 5 DGBDMO Cc1[nH+]ccn1CCNc1ccc2ccc3cccnc3c2n1 ZINC001156002087 1089339175 /nfs/dbraw/zinc/33/91/75/1089339175.db2.gz PVUPQRCXRFLHOZ-UHFFFAOYSA-N 1 1 303.369 3.400 20 5 DGBDMO C[N@H+]1CCC[C@@H](CCNc2nccc3cc([N+](=O)[O-])ccc32)C1 ZINC001156386161 1089500463 /nfs/dbraw/zinc/50/04/63/1089500463.db2.gz POZZSWTWFPOVMA-ZDUSSCGKSA-N 1 1 314.389 3.287 20 5 DGBDMO CC(C)[N@H+]1CCN(c2ccc3cccc([N+](=O)[O-])c3n2)C[C@H]1C ZINC001165199164 1090477685 /nfs/dbraw/zinc/47/76/85/1090477685.db2.gz KIDGMSLKJGNPIG-CYBMUJFWSA-N 1 1 314.389 3.062 20 5 DGBDMO CCOc1cc([N+](=O)[O-])ccc1NCC[C@@H]1CCC[N@@H+](C)C1 ZINC001165278763 1090495352 /nfs/dbraw/zinc/49/53/52/1090495352.db2.gz LJCVZIQABCRJRQ-ZDUSSCGKSA-N 1 1 307.394 3.137 20 5 DGBDMO C[C@@H](C[NH2+]Cc1ccc2nc[nH]c2c1)c1ccccc1[N+](=O)[O-] ZINC001203863955 1090822424 /nfs/dbraw/zinc/82/24/24/1090822424.db2.gz JKQJXOJZOUDESB-LBPRGKRZSA-N 1 1 310.357 3.364 20 5 DGBDMO O=[N+]([O-])C[C@@H]1CC[C@@H]([N@H+]2CCC[C@@H](OCc3ccccc3)C2)C1 ZINC001169040209 1092501659 /nfs/dbraw/zinc/50/16/59/1092501659.db2.gz YTMPUIPXTUKFAG-KZNAEPCWSA-N 1 1 318.417 3.113 20 5 DGBDMO Cc1ccc(O[C@@H]2CCC[N@H+]([C@H]3CC[C@H](C[N+](=O)[O-])C3)C2)cc1 ZINC001169025028 1092505811 /nfs/dbraw/zinc/50/58/11/1092505811.db2.gz IMMOQLVMTRPFEN-XYJFISCASA-N 1 1 318.417 3.284 20 5 DGBDMO CCC[C@H](C(=O)c1ccccc1)[N@@H+](C)[C@H]1CC[C@@H](C[N+](=O)[O-])C1 ZINC001169049185 1092509967 /nfs/dbraw/zinc/50/99/67/1092509967.db2.gz WHQWQHNCQGPNKY-HYVNUMGLSA-N 1 1 318.417 3.415 20 5 DGBDMO C[N@H+]([C@H]1CC[C@H](C[N+](=O)[O-])C1)C1CCN(C2CCCCC2)CC1 ZINC001169054571 1092511440 /nfs/dbraw/zinc/51/14/40/1092511440.db2.gz MRINJYZXCNORNE-YJBOKZPZSA-N 1 1 323.481 3.161 20 5 DGBDMO C[N@@H+]([C@H]1CC[C@H](C[N+](=O)[O-])C1)C1CCN(C2CCCCC2)CC1 ZINC001169054571 1092511454 /nfs/dbraw/zinc/51/14/54/1092511454.db2.gz MRINJYZXCNORNE-YJBOKZPZSA-N 1 1 323.481 3.161 20 5 DGBDMO COCC(=O)Nc1cc2[nH+]c3cc(N(C)C)ccc3cc2cc1C ZINC001142821565 1092560630 /nfs/dbraw/zinc/56/06/30/1092560630.db2.gz USFNZKPYCFIAPP-UHFFFAOYSA-N 1 1 323.396 3.347 20 5 DGBDMO Cc1ccc(Nc2ccnc(-c3cc(N)cc[nH+]3)c2)cc1[N+](=O)[O-] ZINC001213663441 1093636391 /nfs/dbraw/zinc/63/63/91/1093636391.db2.gz GVPPYUSMEJIYAX-UHFFFAOYSA-N 1 1 321.340 3.108 20 5 DGBDMO Cc1ccc(N2CCC(c3c[nH+]cn3C)CC2)c([N+](=O)[O-])c1 ZINC001338189130 1095216709 /nfs/dbraw/zinc/21/67/09/1095216709.db2.gz YHQCFOQZDLTUDD-UHFFFAOYSA-N 1 1 300.362 3.021 20 5 DGBDMO C[N@H+]1C[C@@H]2CC[C@H](Nc3ccc([N+](=O)[O-])cc3C(F)F)[C@@H]2C1 ZINC001340000446 1095807413 /nfs/dbraw/zinc/80/74/13/1095807413.db2.gz WVAKQUVFZBNNQH-BHYNMZESSA-N 1 1 311.332 3.285 20 5 DGBDMO C[N@@H+]1CCO[C@H](COCc2c3ccccc3nc3ccccc32)C1 ZINC001223336899 1095939695 /nfs/dbraw/zinc/93/96/95/1095939695.db2.gz UCCNAHRMYLMGOL-HNNXBMFYSA-N 1 1 322.408 3.235 20 5 DGBDMO C[N@H+]1CCO[C@H](COCc2c3ccccc3nc3ccccc32)C1 ZINC001223336899 1095939704 /nfs/dbraw/zinc/93/97/04/1095939704.db2.gz UCCNAHRMYLMGOL-HNNXBMFYSA-N 1 1 322.408 3.235 20 5 DGBDMO COc1cc([N+](=O)[O-])ccc1[C@H](C)[NH2+][C@@H]1CCCC[C@@H]1N(C)C ZINC001118486542 1096021259 /nfs/dbraw/zinc/02/12/59/1096021259.db2.gz HBWOGNXDZTVDSH-MAZHCROVSA-N 1 1 321.421 3.127 20 5 DGBDMO C[C@H](Oc1cccnc1C[NH+](C)C)c1cccc([N+](=O)[O-])c1 ZINC001225279133 1096383045 /nfs/dbraw/zinc/38/30/45/1096383045.db2.gz VDEKHTIIAFRCBB-LBPRGKRZSA-N 1 1 301.346 3.191 20 5 DGBDMO O=[N+]([O-])c1cc(O[C@@H]2CC[N@@H+](Cc3ccccc3)C2)ccc1F ZINC001225382775 1096414486 /nfs/dbraw/zinc/41/44/86/1096414486.db2.gz RTNYJVVWRMHFID-OAHLLOKOSA-N 1 1 316.332 3.387 20 5 DGBDMO O=[N+]([O-])c1cccnc1O[C@@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC001225592810 1096475902 /nfs/dbraw/zinc/47/59/02/1096475902.db2.gz IMWRPOUOAUKKOF-OAHLLOKOSA-N 1 1 313.357 3.033 20 5 DGBDMO O=[N+]([O-])c1cc(O[C@@H]2C[NH+]3CCC2CC3)c(Cl)cc1Cl ZINC001226207002 1096637443 /nfs/dbraw/zinc/63/74/43/1096637443.db2.gz HQNRKXMVRCLKNJ-CYBMUJFWSA-N 1 1 317.172 3.375 20 5 DGBDMO CC(=O)c1ccc(O[C@@H]2CCC[N@H+](C(C)C)C2)c([N+](=O)[O-])c1 ZINC001226291511 1096654617 /nfs/dbraw/zinc/65/46/17/1096654617.db2.gz DRDPXZAXXAPABM-CQSZACIVSA-N 1 1 306.362 3.049 20 5 DGBDMO C[C@H]1C[N@@H+](Cc2ccccc2)C[C@@H]1Oc1cccc([N+](=O)[O-])c1 ZINC001226768576 1096771821 /nfs/dbraw/zinc/77/18/21/1096771821.db2.gz PZDSQTOUJYSPAU-KSSFIOAISA-N 1 1 312.369 3.494 20 5 DGBDMO C[N@H+]1CCC[C@@H](Oc2cc(Cl)c(F)cc2[N+](=O)[O-])CC1 ZINC001226908512 1096812038 /nfs/dbraw/zinc/81/20/38/1096812038.db2.gz JCIKUAMTPSNPFI-SECBINFHSA-N 1 1 302.733 3.250 20 5 DGBDMO C[N@H+]1CCC[C@@H](Oc2cc(F)c(Cl)cc2[N+](=O)[O-])CC1 ZINC001227155006 1096882091 /nfs/dbraw/zinc/88/20/91/1096882091.db2.gz XXYZYRNPMTWZDF-SECBINFHSA-N 1 1 302.733 3.250 20 5 DGBDMO C[N@@H+]1[C@@H]2CC[C@H]1C[C@@H](Oc1cc(F)c(Cl)cc1[N+](=O)[O-])C2 ZINC001227154835 1096882454 /nfs/dbraw/zinc/88/24/54/1096882454.db2.gz USRKTOSMGYECGC-MYJAWHEDSA-N 1 1 314.744 3.391 20 5 DGBDMO Cc1cc[nH+]c(N2CCC(Oc3ccccc3[N+](=O)[O-])CC2)c1 ZINC001227484296 1096939501 /nfs/dbraw/zinc/93/95/01/1096939501.db2.gz LSKRKVSVSOVRAT-UHFFFAOYSA-N 1 1 313.357 3.346 20 5 DGBDMO CC(C)[N@H+]1CCC[C@H](Oc2ccc([N+](=O)[O-])c3cccnc23)C1 ZINC001228138565 1097060547 /nfs/dbraw/zinc/06/05/47/1097060547.db2.gz MHIDCGXWAFKZQZ-ZDUSSCGKSA-N 1 1 315.373 3.395 20 5 DGBDMO C[N@@H+]1C[C@H]2CCC[C@@H](C1)[C@H]2Oc1cc(Cl)cc([N+](=O)[O-])c1 ZINC001228256821 1097082603 /nfs/dbraw/zinc/08/26/03/1097082603.db2.gz BJHBPJYWAWDYQM-HBYGRHMLSA-N 1 1 310.781 3.357 20 5 DGBDMO CC(C)[N@H+]1CC[C@H](Oc2nccc3ccc([N+](=O)[O-])cc32)C1 ZINC001229007368 1097235305 /nfs/dbraw/zinc/23/53/05/1097235305.db2.gz HIANMNFDGXVQJY-AWEZNQCLSA-N 1 1 301.346 3.005 20 5 DGBDMO C[C@H]1CC[N@H+]([C@@H]2CCc3ccc([N+](=O)[O-])cc3CC2)CCC1=O ZINC001172905057 1097269054 /nfs/dbraw/zinc/26/90/54/1097269054.db2.gz QIOGERXBNWTCRA-XJKSGUPXSA-N 1 1 316.401 3.143 20 5 DGBDMO CC(=O)[C@H]1CCCC[N@H+]1[C@H]1CCc2ccc([N+](=O)[O-])cc2CC1 ZINC001172919709 1097280710 /nfs/dbraw/zinc/28/07/10/1097280710.db2.gz HGASYRHFVVPJFW-FUHWJXTLSA-N 1 1 316.401 3.286 20 5 DGBDMO C[N@@H+](Cc1nccs1)[C@@H]1CCc2ccc([N+](=O)[O-])cc2CC1 ZINC001172922595 1097281496 /nfs/dbraw/zinc/28/14/96/1097281496.db2.gz ZCJJLUNBNNRLGZ-CQSZACIVSA-N 1 1 317.414 3.431 20 5 DGBDMO C[N@@H+](C[C@@H]1CCCCO1)[C@@H]1CCc2ccc([N+](=O)[O-])cc2CC1 ZINC001172914141 1097292150 /nfs/dbraw/zinc/29/21/50/1097292150.db2.gz CZGYDBZMOKUIHY-AEFFLSMTSA-N 1 1 318.417 3.343 20 5 DGBDMO CC[N@H+](CCCN(C)C)[C@@H]1CCc2ccc([N+](=O)[O-])cc2CC1 ZINC001172912640 1097292466 /nfs/dbraw/zinc/29/24/66/1097292466.db2.gz KWCABTYZBIAVHN-QGZVFWFLSA-N 1 1 319.449 3.116 20 5 DGBDMO CC[N@@H+](CCCN(C)C)[C@@H]1CCc2ccc([N+](=O)[O-])cc2CC1 ZINC001172912640 1097292468 /nfs/dbraw/zinc/29/24/68/1097292468.db2.gz KWCABTYZBIAVHN-QGZVFWFLSA-N 1 1 319.449 3.116 20 5 DGBDMO COc1ccc([N+](=O)[O-])c(C[C@@H](C)[N@@H+](C)C2CC(C)C2)c1F ZINC001173181373 1097356874 /nfs/dbraw/zinc/35/68/74/1097356874.db2.gz PEWVGQSUPGMHIP-MOENNCHZSA-N 1 1 310.369 3.404 20 5 DGBDMO C[C@H](Cc1ccc([N+](=O)[O-])cc1)[N@H+]1CC(C)(C)C[C@@]1(C)CO ZINC001173221048 1097372474 /nfs/dbraw/zinc/37/24/74/1097372474.db2.gz FNCOXDVTQVTBHQ-DYVFJYSZSA-N 1 1 306.406 3.009 20 5 DGBDMO C[C@@H](Cc1ccc([N+](=O)[O-])cc1)[N@H+]1CCC[C@](C)(CO)CC1 ZINC001173222760 1097372959 /nfs/dbraw/zinc/37/29/59/1097372959.db2.gz VIHSPUJOALMLFV-YOEHRIQHSA-N 1 1 306.406 3.010 20 5 DGBDMO C[C@H](Cc1ccc([N+](=O)[O-])cc1)[N@H+]1CCC[C@](C)(CO)CC1 ZINC001173222757 1097373025 /nfs/dbraw/zinc/37/30/25/1097373025.db2.gz VIHSPUJOALMLFV-PBHICJAKSA-N 1 1 306.406 3.010 20 5 DGBDMO C[C@@H](Cc1ccc([N+](=O)[O-])cc1)[N@@H+]1CC[C@H](N2CCCCC2)C1 ZINC001173225500 1097375132 /nfs/dbraw/zinc/37/51/32/1097375132.db2.gz COKBSJVSRUOFRF-YJBOKZPZSA-N 1 1 317.433 3.086 20 5 DGBDMO C[C@@H](Cc1ccc([N+](=O)[O-])cc1)[N@H+]1CC[C@H](N2CCCCC2)C1 ZINC001173225500 1097375136 /nfs/dbraw/zinc/37/51/36/1097375136.db2.gz COKBSJVSRUOFRF-YJBOKZPZSA-N 1 1 317.433 3.086 20 5 DGBDMO C[C@H](Cc1ccc([N+](=O)[O-])cc1)[N@H+]1CC[C@H](c2cccnc2)C1 ZINC001173225740 1097375143 /nfs/dbraw/zinc/37/51/43/1097375143.db2.gz FSLGCJYKQWPJMC-PBHICJAKSA-N 1 1 311.385 3.410 20 5 DGBDMO CCC[N@H+](CCCN(C)C)[C@@H](C)Cc1ccc([N+](=O)[O-])cc1 ZINC001173231150 1097377587 /nfs/dbraw/zinc/37/75/87/1097377587.db2.gz JYFQOZIMIYYAOG-HNNXBMFYSA-N 1 1 307.438 3.190 20 5 DGBDMO CCC[N@@H+](CCCN(C)C)[C@@H](C)Cc1ccc([N+](=O)[O-])cc1 ZINC001173231150 1097377594 /nfs/dbraw/zinc/37/75/94/1097377594.db2.gz JYFQOZIMIYYAOG-HNNXBMFYSA-N 1 1 307.438 3.190 20 5 DGBDMO C[N@@H+]1C[C@H]2CCC[C@@H](C1)[C@H]2Oc1ccc(Cl)c([N+](=O)[O-])c1 ZINC001229963274 1097418985 /nfs/dbraw/zinc/41/89/85/1097418985.db2.gz HTKDWISZIBMZLZ-HBYGRHMLSA-N 1 1 310.781 3.357 20 5 DGBDMO CC(C)[N@H+]1CC[C@@H](Oc2ccc3nc4ccc(=O)cc-4oc3c2)C1 ZINC001231331075 1097723630 /nfs/dbraw/zinc/72/36/30/1097723630.db2.gz FBZYHXHTKVUSEW-OAHLLOKOSA-N 1 1 324.380 3.154 20 5 DGBDMO CC[N@H+]1CCCN(Cc2ccc3ccc4cccnc4c3n2)CC1 ZINC001232219649 1097971639 /nfs/dbraw/zinc/97/16/39/1097971639.db2.gz XQHSJQWFAPLBDY-UHFFFAOYSA-N 1 1 320.440 3.311 20 5 DGBDMO CCN1CCC[N@H+](Cc2ccc3ccc4cccnc4c3n2)CC1 ZINC001232219649 1097971642 /nfs/dbraw/zinc/97/16/42/1097971642.db2.gz XQHSJQWFAPLBDY-UHFFFAOYSA-N 1 1 320.440 3.311 20 5 DGBDMO CCN1CCC[N@@H+](Cc2ccc3ccc4cccnc4c3n2)CC1 ZINC001232219649 1097971648 /nfs/dbraw/zinc/97/16/48/1097971648.db2.gz XQHSJQWFAPLBDY-UHFFFAOYSA-N 1 1 320.440 3.311 20 5 DGBDMO C[C@@H]1C[N@@H+](Cc2ccc3ccc4cccnc4c3n2)CC[C@@]1(C)O ZINC001232218841 1097971826 /nfs/dbraw/zinc/97/18/26/1097971826.db2.gz MJBVIOMKKTYFJW-JLTOFOAXSA-N 1 1 321.424 3.376 20 5 DGBDMO C[N@H+]1CCc2ccc(Nc3cc([N+](=O)[O-])ccc3F)cc2C1 ZINC001175737308 1098150956 /nfs/dbraw/zinc/15/09/56/1098150956.db2.gz NONZJKJWBOETMA-UHFFFAOYSA-N 1 1 301.321 3.465 20 5 DGBDMO C[C@H]([NH2+]Cc1cnnn1-c1ccccc1)c1ccc([N+](=O)[O-])cc1 ZINC001176037853 1098239783 /nfs/dbraw/zinc/23/97/83/1098239783.db2.gz YJMWWIBCOBGGFC-ZDUSSCGKSA-N 1 1 323.356 3.026 20 5 DGBDMO CC(C)[N@H+]1CCC[C@H](Oc2ccc([N+](=O)[O-])c(F)c2F)C1 ZINC001233770864 1098428138 /nfs/dbraw/zinc/42/81/38/1098428138.db2.gz RJKKVAQAXCJXGO-JTQLQIEISA-N 1 1 300.305 3.125 20 5 DGBDMO C[N@H+]1CCC[C@@H](Oc2c3cccnc3ccc2[N+](=O)[O-])CC1 ZINC001233778276 1098430007 /nfs/dbraw/zinc/43/00/07/1098430007.db2.gz HNLUIIHAKKQMAA-GFCCVEGCSA-N 1 1 301.346 3.006 20 5 DGBDMO CC[N@H+]1CCC[C@@H](Oc2ccc3cccc([N+](=O)[O-])c3n2)C1 ZINC001233837176 1098440195 /nfs/dbraw/zinc/44/01/95/1098440195.db2.gz WAMCJEIYYRSNHI-CYBMUJFWSA-N 1 1 301.346 3.006 20 5 DGBDMO Cc1cc(C)c(Cn2cnc(-c3ccc([N+](=O)[O-])cc3)n2)c(C)[nH+]1 ZINC001188699192 1099830066 /nfs/dbraw/zinc/83/00/66/1099830066.db2.gz CQZZKPMJPMODHJ-UHFFFAOYSA-N 1 1 323.356 3.222 20 5 DGBDMO CC[C@H]1CC[N@@H+](Cc2nnc(-c3ccccc3[N+](=O)[O-])o2)[C@@H]1C ZINC001193603316 1100781733 /nfs/dbraw/zinc/78/17/33/1100781733.db2.gz BLSADXQOHXDQMW-NEPJUHHUSA-N 1 1 316.361 3.265 20 5 DGBDMO COc1ccc([N+](=O)[O-])cc1C[N@@H+]1CCc2ccc(C)cc2C1 ZINC001195911884 1101219750 /nfs/dbraw/zinc/21/97/50/1101219750.db2.gz SSPSXOYSRXPXLO-UHFFFAOYSA-N 1 1 312.369 3.470 20 5 DGBDMO COc1ccc([N+](=O)[O-])cc1C[N@H+]1CCc2ccc(C)cc2C1 ZINC001195911884 1101219756 /nfs/dbraw/zinc/21/97/56/1101219756.db2.gz SSPSXOYSRXPXLO-UHFFFAOYSA-N 1 1 312.369 3.470 20 5 DGBDMO Cc1c(C[N@H+]2CCCC[C@@H]2[C@@H]2CCCO2)cccc1[N+](=O)[O-] ZINC001198684605 1101957075 /nfs/dbraw/zinc/95/70/75/1101957075.db2.gz CAZYDESQTGBBLR-SJORKVTESA-N 1 1 304.390 3.437 20 5 DGBDMO C[N@H+]1CCCC[C@H]1CCC(=O)OCc1ccc(F)cc1[N+](=O)[O-] ZINC001327159763 1103561537 /nfs/dbraw/zinc/56/15/37/1103561537.db2.gz XKQDAIUGPGPKGC-AWEZNQCLSA-N 1 1 324.352 3.042 20 5 DGBDMO CC[N@H+](C)Cc1nc(-c2ccc3ccc4cccnc4c3n2)no1 ZINC001248143554 1105054388 /nfs/dbraw/zinc/05/43/88/1105054388.db2.gz AJMJRVQCDQQGND-UHFFFAOYSA-N 1 1 319.368 3.285 20 5 DGBDMO CC[N@@H+](C)Cc1nc(-c2ccc3ccc4cccnc4c3n2)no1 ZINC001248143554 1105054395 /nfs/dbraw/zinc/05/43/95/1105054395.db2.gz AJMJRVQCDQQGND-UHFFFAOYSA-N 1 1 319.368 3.285 20 5 DGBDMO COc1ccc(Nc2c(C)[nH+]c3ccc(F)cn32)c([N+](=O)[O-])c1 ZINC001248470657 1105117255 /nfs/dbraw/zinc/11/72/55/1105117255.db2.gz SYAVCRJVZDLMBV-UHFFFAOYSA-N 1 1 316.292 3.442 20 5 DGBDMO C[C@@]1(F)CCC[N@H+](C2CCN(c3ccc([N+](=O)[O-])cc3)CC2)C1 ZINC001254474702 1106077908 /nfs/dbraw/zinc/07/79/08/1106077908.db2.gz TZJWBWBHGUDUBL-QGZVFWFLSA-N 1 1 321.396 3.388 20 5 DGBDMO C[N@@H+](CC1CCC1)C1CCN(c2ccc([N+](=O)[O-])cc2)CC1 ZINC001254479455 1106078726 /nfs/dbraw/zinc/07/87/26/1106078726.db2.gz ZWZAILRRHWBYCI-UHFFFAOYSA-N 1 1 303.406 3.296 20 5 DGBDMO CC(C)N1CC[C@H]([NH2+][C@H](C)Cc2ccccc2[N+](=O)[O-])[C@@H](C)C1 ZINC001254550336 1106101218 /nfs/dbraw/zinc/10/12/18/1106101218.db2.gz HUWZARCSSSDCQK-UXLLHSPISA-N 1 1 319.449 3.234 20 5 DGBDMO C[C@@H](Cc1ccccc1[N+](=O)[O-])[N@H+]1CCc2c(O)cccc2C1 ZINC001254551859 1106101258 /nfs/dbraw/zinc/10/12/58/1106101258.db2.gz GKTQYQOIPXEKKD-ZDUSSCGKSA-N 1 1 312.369 3.290 20 5 DGBDMO C[C@H](Cc1ccccc1[N+](=O)[O-])[N@@H+]1CCC(=O)[C@@H]2CCCC[C@@H]21 ZINC001254550100 1106101692 /nfs/dbraw/zinc/10/16/92/1106101692.db2.gz CQDTXZYQWLPVKO-UNEWFSDZSA-N 1 1 316.401 3.359 20 5 DGBDMO C[C@H](Cc1ccccc1[N+](=O)[O-])[N@H+]1CCC(=O)[C@@H]2CCCC[C@@H]21 ZINC001254550100 1106101697 /nfs/dbraw/zinc/10/16/97/1106101697.db2.gz CQDTXZYQWLPVKO-UNEWFSDZSA-N 1 1 316.401 3.359 20 5 DGBDMO C[C@H](Cc1ccccc1[N+](=O)[O-])[N@H+]1CC[C@@]2(C1)CCCCO2 ZINC001254552261 1106101751 /nfs/dbraw/zinc/10/17/51/1106101751.db2.gz JRGAMSSDCBZPPK-RHSMWYFYSA-N 1 1 304.390 3.171 20 5 DGBDMO C[C@H](Cc1ccccc1[N+](=O)[O-])[N@@H+](C)Cc1cnc2ccccn12 ZINC001254553309 1106102220 /nfs/dbraw/zinc/10/22/20/1106102220.db2.gz USSLMJMEPGOMSG-CQSZACIVSA-N 1 1 324.384 3.306 20 5 DGBDMO O=[N+]([O-])c1ccc2c(c1)C[C@H]([N@@H+]1C[C@H]3[C@H](CCC3(F)F)C1)C2 ZINC001254593413 1106110070 /nfs/dbraw/zinc/11/00/70/1106110070.db2.gz MEGNYLLXWFLTKT-DFBGVHRSSA-N 1 1 308.328 3.039 20 5 DGBDMO C[N@@H+](CCOc1ccccc1)[C@H]1Cc2ccc([N+](=O)[O-])cc2C1 ZINC001254598554 1106110476 /nfs/dbraw/zinc/11/04/76/1106110476.db2.gz HSNQBAJBNZUPTK-KRWDZBQOSA-N 1 1 312.369 3.073 20 5 DGBDMO O=[N+]([O-])c1ccc2c(c1)C[C@@H]([N@H+]1CCC[C@@H]1Cc1ccccn1)C2 ZINC001254597968 1106110790 /nfs/dbraw/zinc/11/07/90/1106110790.db2.gz FMJQAHUIANFBOL-MJGOQNOKSA-N 1 1 323.396 3.164 20 5 DGBDMO O=[N+]([O-])c1ccc2c(c1)C[C@@H]([N@H+]1CCC[C@H]1c1cccnc1)C2 ZINC001254597308 1106110910 /nfs/dbraw/zinc/11/09/10/1106110910.db2.gz HBDYJHFDBHRMPE-ROUUACIJSA-N 1 1 309.369 3.294 20 5 DGBDMO C[N@@H+](CCc1ccccc1F)[C@@H]1Cc2ccc([N+](=O)[O-])cc2C1 ZINC001254612110 1106113315 /nfs/dbraw/zinc/11/33/15/1106113315.db2.gz VEAZVUAMIBEXMN-QGZVFWFLSA-N 1 1 314.360 3.376 20 5 DGBDMO C/C(=C/c1cccc([N+](=O)[O-])c1)C[N@@H+]1C[C@H]2CCC[C@@H](C1)C2O ZINC001320643621 1107084885 /nfs/dbraw/zinc/08/48/85/1107084885.db2.gz QBLZSKZXARSSNM-TUZKUMHLSA-N 1 1 316.401 3.091 20 5 DGBDMO C[N@@H+](CCN1Cc2ccc([N+](=O)[O-])cc2C1)Cc1ccccc1 ZINC001324486660 1108312302 /nfs/dbraw/zinc/31/23/02/1108312302.db2.gz RCYDDRGZNWENKH-UHFFFAOYSA-N 1 1 311.385 3.042 20 5 DGBDMO Cc1c([C@H](C)N[C@H]2CCCC[C@H]2[NH+](C)C)cccc1[N+](=O)[O-] ZINC001319392916 1108444931 /nfs/dbraw/zinc/44/49/31/1108444931.db2.gz GPMYPXMGGPQYIQ-JLJPHGGASA-N 1 1 305.422 3.427 20 5 DGBDMO C[NH+](C)[C@@H]1CCCC[C@@H]1N[C@@H]1CCCc2ccc([N+](=O)[O-])cc21 ZINC001324761592 1108455040 /nfs/dbraw/zinc/45/50/40/1108455040.db2.gz XMEYFOPAIWDSJW-FGTMMUONSA-N 1 1 317.433 3.435 20 5 DGBDMO O=[N+]([O-])c1ccc(Cl)cc1C[N@H+]1CC[C@H]2OCCC[C@@H]2C1 ZINC001319822286 1108652150 /nfs/dbraw/zinc/65/21/50/1108652150.db2.gz BARWBLRKMUVPLL-IAQYHMDHSA-N 1 1 310.781 3.249 20 5 DGBDMO C[NH+](C)[C@@H]1CCCC[C@@H]1NC/C=C/c1ccccc1[N+](=O)[O-] ZINC001319832854 1108655594 /nfs/dbraw/zinc/65/55/94/1108655594.db2.gz UTLLOTFPHLGDCL-PRLJZHDASA-N 1 1 303.406 3.070 20 5 DGBDMO CCC1(CC)CCC[N@@H+](CCn2c(C)ncc2[N+](=O)[O-])CC1 ZINC001307687091 1111327155 /nfs/dbraw/zinc/32/71/55/1111327155.db2.gz VVCPVTCPBDVLNW-UHFFFAOYSA-N 1 1 308.426 3.392 20 5 DGBDMO CCC[N@H+](Cc1ccc(C)c([N+](=O)[O-])c1)[C@H](CC)C(=O)OCC ZINC001307681125 1111327402 /nfs/dbraw/zinc/32/74/02/1111327402.db2.gz WIJDPWSTIPCYLQ-OAHLLOKOSA-N 1 1 322.405 3.457 20 5 DGBDMO CCC[N@@H+](Cc1ccc(C)c([N+](=O)[O-])c1)[C@H](CC)C(=O)OCC ZINC001307681125 1111327406 /nfs/dbraw/zinc/32/74/06/1111327406.db2.gz WIJDPWSTIPCYLQ-OAHLLOKOSA-N 1 1 322.405 3.457 20 5 DGBDMO C[N@@H+](CCc1cccc([N+](=O)[O-])c1)C1CC(OC(C)(C)C)C1 ZINC001307717491 1111331409 /nfs/dbraw/zinc/33/14/09/1111331409.db2.gz SBKBBZNQXYJYIW-UHFFFAOYSA-N 1 1 306.406 3.415 20 5 DGBDMO C[C@@H](C[N@@H+](C)CC(=O)Nc1ccccc1[N+](=O)[O-])C(C)(C)C ZINC001308060663 1111372149 /nfs/dbraw/zinc/37/21/49/1111372149.db2.gz ACCDYTPIFUQTGV-LBPRGKRZSA-N 1 1 307.394 3.147 20 5 DGBDMO Cc1ccc([N+](=O)[O-])cc1[C@@H](C)[N@H+]1CC[C@@H](c2ncccn2)C1 ZINC001308115324 1111380562 /nfs/dbraw/zinc/38/05/62/1111380562.db2.gz UUUSVFMISUMZLB-ZIAGYGMSSA-N 1 1 312.373 3.244 20 5 DGBDMO Cc1ccc([N+](=O)[O-])c(C)c1CNC[C@@H](CC(C)C)[NH+](C)C ZINC001308193480 1111394320 /nfs/dbraw/zinc/39/43/20/1111394320.db2.gz ZMBRIDFDGDNBFR-OAHLLOKOSA-N 1 1 307.438 3.278 20 5 DGBDMO O=[N+]([O-])c1ccc(C[N@@H+]2CCC[C@@H]2[C@H]2CCC[C@@H]2O)c(Cl)c1 ZINC000318419700 231170173 /nfs/dbraw/zinc/17/01/73/231170173.db2.gz KFYWERMFJZIUDY-BMFZPTHFSA-N 1 1 324.808 3.374 20 5 DGBDMO CCC(CC)[N@@H+](CCOC)Cc1cc([N+](=O)[O-])ccc1OC ZINC000343005052 282184386 /nfs/dbraw/zinc/18/43/86/282184386.db2.gz WHFUMKGXJSINTC-UHFFFAOYSA-N 1 1 310.394 3.240 20 5 DGBDMO CC[C@H](C)[N@@H+](C)CCNc1nccc2ccc([N+](=O)[O-])cc21 ZINC000413119192 529690766 /nfs/dbraw/zinc/69/07/66/529690766.db2.gz WWKOJONVZUTITP-LBPRGKRZSA-N 1 1 302.378 3.285 20 5 DGBDMO CCc1nc(C)c(C[N@@H+](C)CCc2ccccc2[N+](=O)[O-])o1 ZINC000428969293 529721402 /nfs/dbraw/zinc/72/14/02/529721402.db2.gz RLJMMDBSZZENCC-UHFFFAOYSA-N 1 1 303.362 3.128 20 5 DGBDMO COc1ccc([N+](=O)[O-])cc1C[NH2+][C@@H](C)c1cccc(O)c1 ZINC000181484238 199305553 /nfs/dbraw/zinc/30/55/53/199305553.db2.gz MCKUJZWOTPSIDS-NSHDSACASA-N 1 1 302.330 3.160 20 5 DGBDMO O=[N+]([O-])c1ccc(C[NH+]2CCC(c3ncc[nH]3)CC2)c(Cl)c1 ZINC000272803099 210205243 /nfs/dbraw/zinc/20/52/43/210205243.db2.gz LPSOGOWLTRMANM-UHFFFAOYSA-N 1 1 320.780 3.351 20 5 DGBDMO C[N@@H+](CCn1ccc([N+](=O)[O-])n1)[C@H]1CCC[C@@H]1c1ccccc1 ZINC000297408691 529939882 /nfs/dbraw/zinc/93/98/82/529939882.db2.gz CRKOWXBIVJJDCK-CVEARBPZSA-N 1 1 314.389 3.059 20 5 DGBDMO Cc1ccc([N+](=O)[O-])cc1NC(=O)C[N@@H+](C1CC1)C1CCCC1 ZINC000064808062 432010355 /nfs/dbraw/zinc/01/03/55/432010355.db2.gz ZXINEAKXGLFOSM-UHFFFAOYSA-N 1 1 317.389 3.249 20 5 DGBDMO C[N@@H+](Cc1ccc([N+](=O)[O-])cc1F)CC1(O)CCCCCC1 ZINC000426222968 529990450 /nfs/dbraw/zinc/99/04/50/529990450.db2.gz PYUIIRSVEJUWBA-UHFFFAOYSA-N 1 1 310.369 3.251 20 5 DGBDMO C[N@H+]1CCC[C@]2(CCN(Cc3ccc(Cl)c([N+](=O)[O-])c3)C2)C1 ZINC000292940814 530065238 /nfs/dbraw/zinc/06/52/38/530065238.db2.gz JVYCMALOLGDVST-INIZCTEOSA-N 1 1 323.824 3.166 20 5 DGBDMO C[C@@H]1CC[C@H]([N@@H+](CCO)Cc2ccc([N+](=O)[O-])cc2Cl)C1 ZINC000330867228 232123372 /nfs/dbraw/zinc/12/33/72/232123372.db2.gz VODYGPABHJSQOQ-YPMHNXCESA-N 1 1 312.797 3.231 20 5 DGBDMO C[N@@H+](C/C=C/c1ccccc1[N+](=O)[O-])C[C@@H]1CCCC[C@@H]1O ZINC000272675229 210079243 /nfs/dbraw/zinc/07/92/43/210079243.db2.gz UMUMSBGGJISXID-KAFRUAOYSA-N 1 1 304.390 3.091 20 5 DGBDMO Cc1ccnc(N[C@@H](C)[C@@H]2CCC[N@H+](C3CCC3)C2)c1[N+](=O)[O-] ZINC000272660627 210064669 /nfs/dbraw/zinc/06/46/69/210064669.db2.gz BUWMEZVUVTZISK-UONOGXRCSA-N 1 1 318.421 3.363 20 5 DGBDMO CC[C@H](C)[C@@H](C)[N@@H+](Cc1ccc(C(N)=O)cc1[N+](=O)[O-])C1CC1 ZINC000106439759 432021477 /nfs/dbraw/zinc/02/14/77/432021477.db2.gz GFLQSXGAGNKCAW-NWDGAFQWSA-N 1 1 319.405 3.093 20 5 DGBDMO COc1cc(C[NH2+]Cc2cc([N+](=O)[O-])ccc2OC)ccc1C ZINC000194292658 186278400 /nfs/dbraw/zinc/27/84/00/186278400.db2.gz IVDORSUZPVFZOG-UHFFFAOYSA-N 1 1 316.357 3.210 20 5 DGBDMO CC[C@H](C)C[N@@H+](C)Cc1nc(-c2ccc([N+](=O)[O-])cc2)no1 ZINC000171948357 198013398 /nfs/dbraw/zinc/01/33/98/198013398.db2.gz MUKPKXGQSIJRRN-NSHDSACASA-N 1 1 304.350 3.123 20 5 DGBDMO C[N@@H+](Cc1cc([N+](=O)[O-])ccc1OC(F)F)[C@@H]1CCSC1 ZINC000130637608 432028575 /nfs/dbraw/zinc/02/85/75/432028575.db2.gz WAWPBPOXAMHTQZ-LLVKDONJSA-N 1 1 318.345 3.134 20 5 DGBDMO CCOC[C@@H]1CC[N@@H+](Cc2cc([N+](=O)[O-])ccc2OC(C)C)C1 ZINC000081519879 192278400 /nfs/dbraw/zinc/27/84/00/192278400.db2.gz YWXGUGIREOHODD-CQSZACIVSA-N 1 1 322.405 3.240 20 5 DGBDMO O=[N+]([O-])c1ccccc1C[NH2+]Cc1cncc(Br)c1 ZINC000166888972 432063174 /nfs/dbraw/zinc/06/31/74/432063174.db2.gz PPCWELBIBLRRSB-UHFFFAOYSA-N 1 1 322.162 3.042 20 5 DGBDMO Cc1c([C@@H](C)[NH2+]C2CCN(C(C)C)CC2)cccc1[N+](=O)[O-] ZINC000180402539 199154753 /nfs/dbraw/zinc/15/47/53/199154753.db2.gz NPIXYSUXEKHWIF-CQSZACIVSA-N 1 1 305.422 3.427 20 5 DGBDMO CC(=O)Nc1cccc(C[N@@H+](C)Cc2ccccc2[N+](=O)[O-])c1 ZINC000170643292 432075997 /nfs/dbraw/zinc/07/59/97/432075997.db2.gz XMIYHYWRURTPTK-UHFFFAOYSA-N 1 1 313.357 3.185 20 5 DGBDMO CC(=O)Nc1cccc(C[N@H+](C)Cc2ccccc2[N+](=O)[O-])c1 ZINC000170643292 432075999 /nfs/dbraw/zinc/07/59/99/432075999.db2.gz XMIYHYWRURTPTK-UHFFFAOYSA-N 1 1 313.357 3.185 20 5 DGBDMO CC[C@@H](O)C[N@@H+](Cc1ccccc1)Cc1ccc([N+](=O)[O-])cc1 ZINC000134493709 432077817 /nfs/dbraw/zinc/07/78/17/432077817.db2.gz LLEGQMFKSXJHRG-GOSISDBHSA-N 1 1 314.385 3.368 20 5 DGBDMO C[C@H]1C[C@H]1[N@H+]1CCN(c2c(Cl)cccc2[N+](=O)[O-])C[C@@H](C)C1 ZINC000432146583 291158075 /nfs/dbraw/zinc/15/80/75/291158075.db2.gz CAUKXDACXNLABM-SLEUVZQESA-N 1 1 323.824 3.415 20 5 DGBDMO CCN(C)CC[NH2+][C@H](c1ccccc1)c1cccc([N+](=O)[O-])c1 ZINC000180270859 432082758 /nfs/dbraw/zinc/08/27/58/432082758.db2.gz FFFGEWQEPPZOSO-GOSISDBHSA-N 1 1 313.401 3.226 20 5 DGBDMO CC[C@@]1(CO)CCC[N@H+](Cc2ccc(Cl)cc2[N+](=O)[O-])C1 ZINC000187639305 200138244 /nfs/dbraw/zinc/13/82/44/200138244.db2.gz QTGSYDFTPIIKEM-OAHLLOKOSA-N 1 1 312.797 3.233 20 5 DGBDMO CC[C@@]1(CO)CCC[N@@H+](Cc2ccc(Cl)cc2[N+](=O)[O-])C1 ZINC000187639305 200138246 /nfs/dbraw/zinc/13/82/46/200138246.db2.gz QTGSYDFTPIIKEM-OAHLLOKOSA-N 1 1 312.797 3.233 20 5 DGBDMO Cc1c(CN2CC[N@H+]([C@@H]3C[C@H]3C)C[C@@H](C)C2)cccc1[N+](=O)[O-] ZINC000429030715 238038933 /nfs/dbraw/zinc/03/89/33/238038933.db2.gz RYVULNDZTHURQM-PMUMKWKESA-N 1 1 317.433 3.065 20 5 DGBDMO COc1cc([N+](=O)[O-])ccc1C[N@@H+](C[C@H](C)O)C1CCCCC1 ZINC000430220257 238071214 /nfs/dbraw/zinc/07/12/14/238071214.db2.gz PCXFEUUDBZFZNJ-ZDUSSCGKSA-N 1 1 322.405 3.119 20 5 DGBDMO COc1cc([N+](=O)[O-])ccc1C[N@@H+]1CC[C@@H](C(F)(F)F)[C@H]1C ZINC000430231636 238071767 /nfs/dbraw/zinc/07/17/67/238071767.db2.gz CQOGFDUXNYSODY-BXKDBHETSA-N 1 1 318.295 3.376 20 5 DGBDMO COc1cc([N+](=O)[O-])ccc1C[N@H+]1CC[C@@H](C(F)(F)F)[C@H]1C ZINC000430231636 238071768 /nfs/dbraw/zinc/07/17/68/238071768.db2.gz CQOGFDUXNYSODY-BXKDBHETSA-N 1 1 318.295 3.376 20 5 DGBDMO O=[N+]([O-])c1cccc(Cl)c1NCCc1cn2c([nH+]1)CCCC2 ZINC000432314501 238124715 /nfs/dbraw/zinc/12/47/15/238124715.db2.gz WLBNXXNTJFXMRH-UHFFFAOYSA-N 1 1 320.780 3.436 20 5 DGBDMO O=[N+]([O-])c1ccccc1/C=C\CNC[C@H]1CCCC[N@@H+]1C1CC1 ZINC000434797410 238247292 /nfs/dbraw/zinc/24/72/92/238247292.db2.gz YAGDSBMHORBZNZ-XTKXOIQPSA-N 1 1 315.417 3.215 20 5 DGBDMO O=[N+]([O-])c1ccccc1/C=C\CNC[C@H]1CCCC[N@H+]1C1CC1 ZINC000434797410 238247297 /nfs/dbraw/zinc/24/72/97/238247297.db2.gz YAGDSBMHORBZNZ-XTKXOIQPSA-N 1 1 315.417 3.215 20 5 DGBDMO COc1ccc(C[N@@H+]2CCC[C@H](C(F)(F)F)C2)cc1[N+](=O)[O-] ZINC000193576670 201078573 /nfs/dbraw/zinc/07/85/73/201078573.db2.gz IPTHVNNONRSOPX-NSHDSACASA-N 1 1 318.295 3.378 20 5 DGBDMO COc1ccc(C[N@H+]2CCC[C@H](C(F)(F)F)C2)cc1[N+](=O)[O-] ZINC000193576670 201078575 /nfs/dbraw/zinc/07/85/75/201078575.db2.gz IPTHVNNONRSOPX-NSHDSACASA-N 1 1 318.295 3.378 20 5 DGBDMO Cn1nccc1[C@@H]1CCCC[N@H+]1CCc1ccc([N+](=O)[O-])cc1 ZINC000281492483 216338283 /nfs/dbraw/zinc/33/82/83/216338283.db2.gz TVMRLUJWSOUKMS-KRWDZBQOSA-N 1 1 314.389 3.098 20 5 DGBDMO CSCC[C@@H](C)[N@@H+](C)Cc1ccc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000193984749 201157289 /nfs/dbraw/zinc/15/72/89/201157289.db2.gz DODOSFCBMFTYPI-SNVBAGLBSA-N 1 1 313.379 3.076 20 5 DGBDMO COc1ccc(OCC[N@@H+]([C@@H](C)C2CC2)C2CC2)c([N+](=O)[O-])c1 ZINC000441180483 239017872 /nfs/dbraw/zinc/01/78/72/239017872.db2.gz RDOMUFJBRZTGGO-LBPRGKRZSA-N 1 1 320.389 3.245 20 5 DGBDMO COc1ccc(OCC[N@@H+]([C@H](C)C2CC2)C2CC2)c([N+](=O)[O-])c1 ZINC000441180481 239018330 /nfs/dbraw/zinc/01/83/30/239018330.db2.gz RDOMUFJBRZTGGO-GFCCVEGCSA-N 1 1 320.389 3.245 20 5 DGBDMO O=[N+]([O-])c1ccccc1C[NH2+][C@@H](c1cncc(F)c1)C1CC1 ZINC000281569907 216391013 /nfs/dbraw/zinc/39/10/13/216391013.db2.gz KKWIZAYCCRIYOO-MRXNPFEDSA-N 1 1 301.321 3.370 20 5 DGBDMO Cc1cnc(C[N@@H+]2CCC[C@@H](c3ccc([N+](=O)[O-])cc3)C2)n1C ZINC000449495165 240246536 /nfs/dbraw/zinc/24/65/36/240246536.db2.gz CMNVZCOHXJPVND-OAHLLOKOSA-N 1 1 314.389 3.016 20 5 DGBDMO Cc1cnc(C[N@H+]2CCC[C@@H](c3ccc([N+](=O)[O-])cc3)C2)n1C ZINC000449495165 240246542 /nfs/dbraw/zinc/24/65/42/240246542.db2.gz CMNVZCOHXJPVND-OAHLLOKOSA-N 1 1 314.389 3.016 20 5 DGBDMO C=Cn1cc(C[N@@H+]2CCC[C@H](c3ccc([N+](=O)[O-])cc3)C2)cn1 ZINC000449500835 240248952 /nfs/dbraw/zinc/24/89/52/240248952.db2.gz ODYXWTHPDGFPQK-INIZCTEOSA-N 1 1 312.373 3.271 20 5 DGBDMO CC[C@@H]1C[C@H]1C[NH2+][C@H](c1nccn1C)c1cccc([N+](=O)[O-])c1 ZINC000449483071 240236182 /nfs/dbraw/zinc/23/61/82/240236182.db2.gz GCSHUXZYAFVIMP-INWMFGNUSA-N 1 1 314.389 3.053 20 5 DGBDMO CCO[C@@H]1CC[N@@H+](C/C=C/c2ccccc2[N+](=O)[O-])C[C@H]1C ZINC000449493523 240243091 /nfs/dbraw/zinc/24/30/91/240243091.db2.gz LOOXNOSRSGQVKM-HTFDGFGYSA-N 1 1 304.390 3.355 20 5 DGBDMO O=[N+]([O-])c1ccc(C[N@H+]2CC[C@@H]3C[C@@H](O)CC[C@@H]3C2)c(Cl)c1 ZINC000449557541 240288593 /nfs/dbraw/zinc/28/85/93/240288593.db2.gz UYVDZQGDSCBTAC-JMSVASOKSA-N 1 1 324.808 3.231 20 5 DGBDMO Cc1ccc(C[N@@H+]2CC[C@H](C)[C@H](n3ccnc3)C2)cc1[N+](=O)[O-] ZINC000091960206 193132205 /nfs/dbraw/zinc/13/22/05/193132205.db2.gz WXNUCEVRTQDLOK-WMLDXEAASA-N 1 1 314.389 3.183 20 5 DGBDMO C[C@H](c1ccncc1)[N@@H+](C)CCCOc1ccc([N+](=O)[O-])cc1 ZINC000091986533 193137597 /nfs/dbraw/zinc/13/75/97/193137597.db2.gz OGGVTZDNJBVSFZ-CQSZACIVSA-N 1 1 315.373 3.452 20 5 DGBDMO CCO[C@@H]1CC[N@H+](Cc2ccc(Cl)cc2[N+](=O)[O-])C[C@@H]1C ZINC000451552265 241172807 /nfs/dbraw/zinc/17/28/07/241172807.db2.gz YMQIGXCZLHYKEW-XHDPSFHLSA-N 1 1 312.797 3.495 20 5 DGBDMO CCO[C@@H]1CC[N@@H+](Cc2ccc(Cl)cc2[N+](=O)[O-])C[C@@H]1C ZINC000451552265 241172809 /nfs/dbraw/zinc/17/28/09/241172809.db2.gz YMQIGXCZLHYKEW-XHDPSFHLSA-N 1 1 312.797 3.495 20 5 DGBDMO Cc1ccc([N+](=O)[O-])cc1NC(=O)C[N@H+]1[C@@H](C)CCC1(C)C ZINC000452010111 241296992 /nfs/dbraw/zinc/29/69/92/241296992.db2.gz QGJNSZGEIFYDBK-LBPRGKRZSA-N 1 1 305.378 3.105 20 5 DGBDMO C[C@@H](CCc1ccccc1[N+](=O)[O-])[N@H+]1CCC[C@]2(CCOC2)C1 ZINC000453381872 241753598 /nfs/dbraw/zinc/75/35/98/241753598.db2.gz RKPXZTLEBBCGBK-YJBOKZPZSA-N 1 1 318.417 3.418 20 5 DGBDMO C/C(=C/c1cccc([N+](=O)[O-])c1)CNCC[N@@H+](C)C1CCCC1 ZINC000468643554 244058264 /nfs/dbraw/zinc/05/82/64/244058264.db2.gz QGZGIPBRUMPWCE-QINSGFPZSA-N 1 1 317.433 3.462 20 5 DGBDMO C/C(=C/c1cccc([N+](=O)[O-])c1)CNCC[N@H+](C)C1CCCC1 ZINC000468643554 244058268 /nfs/dbraw/zinc/05/82/68/244058268.db2.gz QGZGIPBRUMPWCE-QINSGFPZSA-N 1 1 317.433 3.462 20 5 DGBDMO O=[N+]([O-])c1ccc(OCC[N@@H+](Cc2ccncc2)C2CC2)cc1 ZINC000093221530 193218608 /nfs/dbraw/zinc/21/86/08/193218608.db2.gz YLVWDFBQVUFPCI-UHFFFAOYSA-N 1 1 313.357 3.033 20 5 DGBDMO Cc1ccc(C[N@H+]2CC[C@H](Nc3ccc([N+](=O)[O-])cn3)C2)s1 ZINC000093534331 193266812 /nfs/dbraw/zinc/26/68/12/193266812.db2.gz RIKAHUHQXUQDRV-LBPRGKRZSA-N 1 1 318.402 3.046 20 5 DGBDMO CC[C@H]1CCCC[C@H]1[N@@H+](C)Cc1ccc(C(N)=O)cc1[N+](=O)[O-] ZINC000120829858 284179482 /nfs/dbraw/zinc/17/94/82/284179482.db2.gz KRLUGGNZADAIIJ-SWLSCSKDSA-N 1 1 319.405 3.094 20 5 DGBDMO CCOc1cc(N(C)CC[C@@H]2CCCC[N@H+]2C)ccc1[N+](=O)[O-] ZINC000486981585 245008565 /nfs/dbraw/zinc/00/85/65/245008565.db2.gz OMVPQVWLVGIVNR-AWEZNQCLSA-N 1 1 321.421 3.304 20 5 DGBDMO O=[N+]([O-])c1cc(C[NH2+]Cc2ccco2)cc(C(F)(F)F)c1 ZINC000487149699 245026481 /nfs/dbraw/zinc/02/64/81/245026481.db2.gz BNHWQVLRLXEJLD-UHFFFAOYSA-N 1 1 300.236 3.496 20 5 DGBDMO COCC[N@@H+](CCOc1ccccc1[N+](=O)[O-])[C@@H]1CCC[C@@H]1C ZINC000488070319 245143083 /nfs/dbraw/zinc/14/30/83/245143083.db2.gz GCKPPHRFHKJFHW-LSDHHAIUSA-N 1 1 322.405 3.111 20 5 DGBDMO CCC1CCC([N@@H+](CCO)Cc2c(F)cccc2[N+](=O)[O-])CC1 ZINC000488198272 245160304 /nfs/dbraw/zinc/16/03/04/245160304.db2.gz IHMOLASWDWUYJJ-UHFFFAOYSA-N 1 1 324.396 3.497 20 5 DGBDMO COC(=O)c1coc([C@@H](C)[NH2+][C@@H](C)c2cccc([N+](=O)[O-])c2)c1 ZINC000278168298 214000612 /nfs/dbraw/zinc/00/06/12/214000612.db2.gz CENFCOBHLRKGGQ-WDEREUQCSA-N 1 1 318.329 3.386 20 5 DGBDMO CC(C)n1nccc1C[N@@H+](C)CCc1cccc([N+](=O)[O-])c1 ZINC000282540544 217075294 /nfs/dbraw/zinc/07/52/94/217075294.db2.gz VYZCQBZJHKCRKC-UHFFFAOYSA-N 1 1 302.378 3.047 20 5 DGBDMO Cc1nccn1CCC[N@@H+](Cc1ccccc1[N+](=O)[O-])C1CC1 ZINC000127607138 284345640 /nfs/dbraw/zinc/34/56/40/284345640.db2.gz LTTGFIMJOOHNBE-UHFFFAOYSA-N 1 1 314.389 3.154 20 5 DGBDMO C[N@H+](CCc1ccccc1[N+](=O)[O-])CC[C@@H](O)c1ccccc1 ZINC000285262325 218358026 /nfs/dbraw/zinc/35/80/26/218358026.db2.gz HYSSERMPDNOABO-GOSISDBHSA-N 1 1 314.385 3.193 20 5 DGBDMO CO[C@]1(C)CCC[N@H+](Cc2c(F)cc([N+](=O)[O-])cc2F)CC1 ZINC000285280835 218364292 /nfs/dbraw/zinc/36/42/92/218364292.db2.gz KJBWQTFBPGVECE-OAHLLOKOSA-N 1 1 314.332 3.264 20 5 DGBDMO CO[C@]1(C)CCC[N@@H+](Cc2c(F)cc([N+](=O)[O-])cc2F)CC1 ZINC000285280835 218364294 /nfs/dbraw/zinc/36/42/94/218364294.db2.gz KJBWQTFBPGVECE-OAHLLOKOSA-N 1 1 314.332 3.264 20 5 DGBDMO C[N@@H+](CCNc1ccc(C(F)(F)F)cc1[N+](=O)[O-])C1CC1 ZINC000058938185 184132423 /nfs/dbraw/zinc/13/24/23/184132423.db2.gz LPJSIEIAZDFDSB-UHFFFAOYSA-N 1 1 303.284 3.120 20 5 DGBDMO C[NH+](C)[C@@H]1CCC[C@@H](N[C@H]2CCCc3ccc([N+](=O)[O-])cc32)C1 ZINC000248883080 285035512 /nfs/dbraw/zinc/03/55/12/285035512.db2.gz LFZVMUDPNBYCSS-RKVPGOIHSA-N 1 1 317.433 3.435 20 5 DGBDMO C[C@H]1CC[N@@H+](CCC(=O)Nc2ccccc2[N+](=O)[O-])C[C@@H](C)C1 ZINC000337318903 253085899 /nfs/dbraw/zinc/08/58/99/253085899.db2.gz NFVPUDKIDQTHEK-KBPBESRZSA-N 1 1 319.405 3.291 20 5 DGBDMO Cn1cc(Cl)cc1C[N@@H+](C)CCOc1cccc([N+](=O)[O-])c1 ZINC000120206692 195118398 /nfs/dbraw/zinc/11/83/98/195118398.db2.gz PEUAQGGICDNUNO-UHFFFAOYSA-N 1 1 323.780 3.098 20 5 DGBDMO CC[N@H+](C)[C@H](C(=O)Nc1cccc([N+](=O)[O-])c1)c1ccccc1 ZINC000342811078 254055841 /nfs/dbraw/zinc/05/58/41/254055841.db2.gz ZOTHOSYYUNXVQP-INIZCTEOSA-N 1 1 313.357 3.226 20 5 DGBDMO CC[N@@H+](C)[C@H](C(=O)Nc1cccc([N+](=O)[O-])c1)c1ccccc1 ZINC000342811078 254055844 /nfs/dbraw/zinc/05/58/44/254055844.db2.gz ZOTHOSYYUNXVQP-INIZCTEOSA-N 1 1 313.357 3.226 20 5 DGBDMO COc1cc(C[N@H+](Cc2cccc([N+](=O)[O-])c2)C2CC2)ccn1 ZINC000342858833 254066311 /nfs/dbraw/zinc/06/63/11/254066311.db2.gz GPFZETLNAGKOFP-UHFFFAOYSA-N 1 1 313.357 3.163 20 5 DGBDMO COc1cc(C[N@@H+](Cc2cccc([N+](=O)[O-])c2)C2CC2)ccn1 ZINC000342858833 254066314 /nfs/dbraw/zinc/06/63/14/254066314.db2.gz GPFZETLNAGKOFP-UHFFFAOYSA-N 1 1 313.357 3.163 20 5 DGBDMO CC[N@H+]1CCN(c2ccc([N+](=O)[O-])c(C(F)(F)F)c2)[C@@H](C)C1 ZINC000343250083 254119988 /nfs/dbraw/zinc/11/99/88/254119988.db2.gz MAHPKLMZMAXZMP-JTQLQIEISA-N 1 1 317.311 3.144 20 5 DGBDMO C[C@H]1[C@@H](Nc2ccc([N+](=O)[O-])c3cnccc23)CCC[N@H+]1C ZINC000343480378 254150408 /nfs/dbraw/zinc/15/04/08/254150408.db2.gz QWHQUWVJKMKFSG-FZMZJTMJSA-N 1 1 300.362 3.038 20 5 DGBDMO CC[C@@H](C)C[N@@H+](CC)[C@@H]1CCN(c2cccc([N+](=O)[O-])c2)C1=O ZINC000343676491 254176236 /nfs/dbraw/zinc/17/62/36/254176236.db2.gz AHTHOWWKEDROPD-CZUORRHYSA-N 1 1 319.405 3.068 20 5 DGBDMO CC[C@@]1(C)CC[N@H+]([C@@H](C)C(=O)Nc2cccc([N+](=O)[O-])c2)C1 ZINC000344214662 254240427 /nfs/dbraw/zinc/24/04/27/254240427.db2.gz CCNRKXOSPKTDGW-LRDDRELGSA-N 1 1 305.378 3.044 20 5 DGBDMO O=[N+]([O-])c1ccc(OCC[N@H+]2CCCc3occc3C2)cc1 ZINC000344233022 254243092 /nfs/dbraw/zinc/24/30/92/254243092.db2.gz HIHWCOGZYOFCMI-UHFFFAOYSA-N 1 1 302.330 3.015 20 5 DGBDMO CC[C@@]1(C)CC[N@H+]([C@@H](C)C(=O)Nc2ccccc2[N+](=O)[O-])C1 ZINC000344283008 254249938 /nfs/dbraw/zinc/24/99/38/254249938.db2.gz WCDFHVSKVZLTFQ-LRDDRELGSA-N 1 1 305.378 3.044 20 5 DGBDMO CC(C)[N@@H+](C)Cc1ccccc1CNc1ccc([N+](=O)[O-])nc1 ZINC000344417729 254268834 /nfs/dbraw/zinc/26/88/34/254268834.db2.gz LEWIKNHRHCWHSD-UHFFFAOYSA-N 1 1 314.389 3.442 20 5 DGBDMO O=[N+]([O-])c1ccc(NC[C@H]2CCC[N@H+]2Cc2ccccc2)cn1 ZINC000344436193 254270645 /nfs/dbraw/zinc/27/06/45/254270645.db2.gz PTDLMBJOCYAJCR-MRXNPFEDSA-N 1 1 312.373 3.066 20 5 DGBDMO CC[N@H+](CCNC/C(C)=C\c1cccc([N+](=O)[O-])c1)C1CC1 ZINC000344838099 254309985 /nfs/dbraw/zinc/30/99/85/254309985.db2.gz BXVKTSMPBODTKU-KAMYIIQDSA-N 1 1 303.406 3.072 20 5 DGBDMO CC[N@@H+](CCNC/C(C)=C\c1cccc([N+](=O)[O-])c1)C1CC1 ZINC000344838099 254309987 /nfs/dbraw/zinc/30/99/87/254309987.db2.gz BXVKTSMPBODTKU-KAMYIIQDSA-N 1 1 303.406 3.072 20 5 DGBDMO CC[N@@H+](Cc1ccc(OC)c([N+](=O)[O-])c1)[C@H]1CCOC(C)(C)C1 ZINC000289796105 221230821 /nfs/dbraw/zinc/23/08/21/221230821.db2.gz MQJZBANQYOFVFD-AWEZNQCLSA-N 1 1 322.405 3.383 20 5 DGBDMO CCOC1CC2(C1)CC[N@@H+](C/C=C/c1ccccc1[N+](=O)[O-])C2 ZINC000289838930 221261206 /nfs/dbraw/zinc/26/12/06/221261206.db2.gz UNTHZXKAPPCJOW-FNORWQNLSA-N 1 1 316.401 3.499 20 5 DGBDMO COC[C@@H]1CC[N@H+](Cc2cc(Cl)cc(Cl)c2[N+](=O)[O-])C1 ZINC000290020235 221384057 /nfs/dbraw/zinc/38/40/57/221384057.db2.gz PHRKTQKIOGOITE-SECBINFHSA-N 1 1 319.188 3.370 20 5 DGBDMO COC[C@@H]1CC[N@@H+](Cc2cc(Cl)cc(Cl)c2[N+](=O)[O-])C1 ZINC000290020235 221384059 /nfs/dbraw/zinc/38/40/59/221384059.db2.gz PHRKTQKIOGOITE-SECBINFHSA-N 1 1 319.188 3.370 20 5 DGBDMO C[C@@H](C1CC1)[N@@H+](Cc1nc2cc([N+](=O)[O-])ccc2[nH]1)C1CC1 ZINC000444584428 533371395 /nfs/dbraw/zinc/37/13/95/533371395.db2.gz TXFVNQHZCWPGJL-JTQLQIEISA-N 1 1 300.362 3.234 20 5 DGBDMO C/C(=C/c1cccc([N+](=O)[O-])c1)C[N@@H+](C[C@H]1CCOC1)C1CC1 ZINC000470178858 533382917 /nfs/dbraw/zinc/38/29/17/533382917.db2.gz OXLCCDNSOMTEFU-IHWMJMDHSA-N 1 1 316.401 3.499 20 5 DGBDMO C/C(=C/c1cccc([N+](=O)[O-])c1)CN1CC[N@@H+](C)[C@H](C(C)C)C1 ZINC000488570576 533383798 /nfs/dbraw/zinc/38/37/98/533383798.db2.gz DLAOHXHCCWAFDA-BXBOZWQASA-N 1 1 317.433 3.270 20 5 DGBDMO C[C@@H]1C[C@@H](Nc2ccnc3c2cccc3[N+](=O)[O-])C[N@H+]1C1CC1 ZINC000432320657 533662709 /nfs/dbraw/zinc/66/27/09/533662709.db2.gz ALSIVSJIPFKHST-VXGBXAGGSA-N 1 1 312.373 3.180 20 5 DGBDMO O=[N+]([O-])c1ccc(CCNc2cc[nH+]cc2Br)cc1 ZINC000163905851 132124625 /nfs/dbraw/zinc/12/46/25/132124625.db2.gz PYNJFWXDVFVPIO-UHFFFAOYSA-N 1 1 322.162 3.407 20 5 DGBDMO C[C@H]([NH2+][C@@H]1CCCCc2ccc([N+](=O)[O-])cc21)c1nccn1C ZINC000595105353 400107564 /nfs/dbraw/zinc/10/75/64/400107564.db2.gz DTBXGPUULMWRIT-BLLLJJGKSA-N 1 1 314.389 3.447 20 5 DGBDMO CCc1noc(C)c1C[NH2+][C@H](C)c1ccc([N+](=O)[O-])cc1OC ZINC000595038410 400085190 /nfs/dbraw/zinc/08/51/90/400085190.db2.gz NNFHSXQEXBKHBF-SNVBAGLBSA-N 1 1 319.361 3.313 20 5 DGBDMO O=[N+]([O-])c1cc(F)ccc1C[N@@H+]1CCCC[C@@H]1[C@H]1CCC[C@H]1O ZINC000595510035 400173613 /nfs/dbraw/zinc/17/36/13/400173613.db2.gz JHLPXTGSQZTRCZ-BFYDXBDKSA-N 1 1 322.380 3.249 20 5 DGBDMO Cc1cc(N[C@@H]2CC[N@@H+](C3CC3)C2)c2cc([N+](=O)[O-])ccc2n1 ZINC000322354114 400173889 /nfs/dbraw/zinc/17/38/89/400173889.db2.gz FIOONRHUVJSSIJ-GFCCVEGCSA-N 1 1 312.373 3.100 20 5 DGBDMO Cc1cc(N[C@@H]2CC[N@H+](C3CC3)C2)c2cc([N+](=O)[O-])ccc2n1 ZINC000322354114 400173895 /nfs/dbraw/zinc/17/38/95/400173895.db2.gz FIOONRHUVJSSIJ-GFCCVEGCSA-N 1 1 312.373 3.100 20 5 DGBDMO O=[N+]([O-])c1cccc(OCC[N@H+]2CC[C@H](c3ccco3)C2)c1 ZINC000609540479 400174261 /nfs/dbraw/zinc/17/42/61/400174261.db2.gz ZODKLAVPKDLRFC-ZDUSSCGKSA-N 1 1 302.330 3.056 20 5 DGBDMO CC(C)[N@H+]1CC[C@H](CNc2ccnc3c2cccc3[N+](=O)[O-])C1 ZINC000322157981 400174380 /nfs/dbraw/zinc/17/43/80/400174380.db2.gz MCJSJFUSWXPOGL-CYBMUJFWSA-N 1 1 314.389 3.285 20 5 DGBDMO CO[C@H]1C[C@@H]([N@@H+](C)Cc2ccc(F)cc2[N+](=O)[O-])C12CCC2 ZINC000595519503 400174837 /nfs/dbraw/zinc/17/48/37/400174837.db2.gz KSPOHXMMDIMGHP-CABCVRRESA-N 1 1 308.353 3.123 20 5 DGBDMO O=[N+]([O-])c1cc(F)ccc1C[N@@H+]1C[C@H](O)C[C@H]1c1ccccc1 ZINC000595536586 400179777 /nfs/dbraw/zinc/17/97/77/400179777.db2.gz ZZKJJFOLOGPEJY-CVEARBPZSA-N 1 1 316.332 3.042 20 5 DGBDMO O=[N+]([O-])c1cc(F)ccc1C[N@H+]1C[C@H](O)C[C@H]1c1ccccc1 ZINC000595536586 400179785 /nfs/dbraw/zinc/17/97/85/400179785.db2.gz ZZKJJFOLOGPEJY-CVEARBPZSA-N 1 1 316.332 3.042 20 5 DGBDMO Cc1noc(C[N@H+]2CCC[C@H]2Cc2cccc(F)c2)c1[N+](=O)[O-] ZINC000595297718 400122318 /nfs/dbraw/zinc/12/23/18/400122318.db2.gz NAWSOAXWMQLREM-AWEZNQCLSA-N 1 1 319.336 3.237 20 5 DGBDMO CC[C@H]1c2ccccc2CC[N@H+]1Cc1onc(C)c1[N+](=O)[O-] ZINC000595325095 400126489 /nfs/dbraw/zinc/12/64/89/400126489.db2.gz VJVPMSNMVLPWSR-AWEZNQCLSA-N 1 1 301.346 3.401 20 5 DGBDMO CC[C@H]1c2ccccc2CC[N@@H+]1Cc1onc(C)c1[N+](=O)[O-] ZINC000595325095 400126495 /nfs/dbraw/zinc/12/64/95/400126495.db2.gz VJVPMSNMVLPWSR-AWEZNQCLSA-N 1 1 301.346 3.401 20 5 DGBDMO C[N@@H+](CCNC(=O)c1cc2ccccc2c2cccnc12)C1CC1 ZINC000066924070 400129330 /nfs/dbraw/zinc/12/93/30/400129330.db2.gz LYSROTXBBRKYNU-UHFFFAOYSA-N 1 1 319.408 3.212 20 5 DGBDMO CC[N@H+]1CC[C@@H](N(C)Cc2ccc(F)cc2[N+](=O)[O-])C[C@H]1C ZINC000595346473 400132478 /nfs/dbraw/zinc/13/24/78/400132478.db2.gz JJYHIXORTYOBPN-IUODEOHRSA-N 1 1 309.385 3.039 20 5 DGBDMO CO[C@@H](C[N@@H+](Cc1ccccc1[N+](=O)[O-])C1CC1)C1CCC1 ZINC000595387048 400138279 /nfs/dbraw/zinc/13/82/79/400138279.db2.gz NGIQGUZLQNITPP-KRWDZBQOSA-N 1 1 304.390 3.374 20 5 DGBDMO Cc1noc(C[N@H+]2CC[C@H](c3cccc(C)c3)C2)c1[N+](=O)[O-] ZINC000595426173 400145220 /nfs/dbraw/zinc/14/52/20/400145220.db2.gz OEEFISXFARSNOX-AWEZNQCLSA-N 1 1 301.346 3.189 20 5 DGBDMO CN(CCC[N@@H+](C)Cc1ccco1)c1ccc([N+](=O)[O-])s1 ZINC000588083391 400187303 /nfs/dbraw/zinc/18/73/03/400187303.db2.gz HVMIEXFGTWZTBL-UHFFFAOYSA-N 1 1 309.391 3.208 20 5 DGBDMO O=[N+]([O-])c1c(NC[C@@H]2CC[N@H+](C3CC3)C2)ccc2ncccc21 ZINC000319751579 400161241 /nfs/dbraw/zinc/16/12/41/400161241.db2.gz JFEFPJPPXGPZMK-LBPRGKRZSA-N 1 1 312.373 3.039 20 5 DGBDMO O=[N+]([O-])c1c(NC[C@H]2CC[N@H+](C3CC3)C2)ccc2ncccc21 ZINC000319751576 400161329 /nfs/dbraw/zinc/16/13/29/400161329.db2.gz JFEFPJPPXGPZMK-GFCCVEGCSA-N 1 1 312.373 3.039 20 5 DGBDMO COc1cc(NC[C@@H]2CC[N@H+](C(C)C)C2)c([N+](=O)[O-])cc1C ZINC000320756111 400166881 /nfs/dbraw/zinc/16/68/81/400166881.db2.gz AXFJSYJXDIMJSW-ZDUSSCGKSA-N 1 1 307.394 3.054 20 5 DGBDMO CCn1ccc(C[N@H+](C)Cc2cc([N+](=O)[O-])ccc2OC)c1 ZINC000616786079 400222965 /nfs/dbraw/zinc/22/29/65/400222965.db2.gz FGEKGEOEMISUNI-UHFFFAOYSA-N 1 1 303.362 3.057 20 5 DGBDMO CCn1ccc(C[N@@H+](C)Cc2cc([N+](=O)[O-])ccc2OC)c1 ZINC000616786079 400222971 /nfs/dbraw/zinc/22/29/71/400222971.db2.gz FGEKGEOEMISUNI-UHFFFAOYSA-N 1 1 303.362 3.057 20 5 DGBDMO C[C@H]([NH2+]CCN1C[C@H](C)C[C@@H](C)C1)c1cccc([N+](=O)[O-])c1 ZINC000610420406 400256024 /nfs/dbraw/zinc/25/60/24/400256024.db2.gz QZONDXQQMWDUIU-KFWWJZLASA-N 1 1 305.422 3.223 20 5 DGBDMO COC(=O)C(C)(C)[C@@H]1CCC[N@@H+](Cc2cccc([N+](=O)[O-])c2)C1 ZINC000093283272 400236534 /nfs/dbraw/zinc/23/65/34/400236534.db2.gz PUMHCWUVOZFZKS-CQSZACIVSA-N 1 1 320.389 3.006 20 5 DGBDMO CC1(C)C[C@@H](O)CCN(c2cc[nH+]c3ccc([N+](=O)[O-])cc32)C1 ZINC000601172370 400256369 /nfs/dbraw/zinc/25/63/69/400256369.db2.gz ZKZSFKLOXQAULR-ZDUSSCGKSA-N 1 1 315.373 3.130 20 5 DGBDMO CC[C@H]1CN(c2cc[nH+]c3ccc([N+](=O)[O-])cc32)C[C@H](C)O1 ZINC000601116860 400238274 /nfs/dbraw/zinc/23/82/74/400238274.db2.gz ZJEFZCRCZQSRON-AAEUAGOBSA-N 1 1 301.346 3.147 20 5 DGBDMO C[C@H](C(=O)Nc1ccc([N+](=O)[O-])cc1)[N@H+](C)Cc1ccccc1 ZINC000021822088 400196122 /nfs/dbraw/zinc/19/61/22/400196122.db2.gz FAOINSZIVPKWPA-CYBMUJFWSA-N 1 1 313.357 3.054 20 5 DGBDMO C[C@H](C(=O)Nc1ccc([N+](=O)[O-])cc1)[N@@H+](C)Cc1ccccc1 ZINC000021822088 400196125 /nfs/dbraw/zinc/19/61/25/400196125.db2.gz FAOINSZIVPKWPA-CYBMUJFWSA-N 1 1 313.357 3.054 20 5 DGBDMO O=[N+]([O-])c1sccc1N[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000067905648 400215203 /nfs/dbraw/zinc/21/52/03/400215203.db2.gz ODRNOPKOHRAFEO-ZDUSSCGKSA-N 1 1 303.387 3.343 20 5 DGBDMO Cc1c(C[N@H+](Cc2ccccc2)C[C@H](C)O)cccc1[N+](=O)[O-] ZINC000610161312 400217446 /nfs/dbraw/zinc/21/74/46/400217446.db2.gz IEBZTPYLTOLWIU-AWEZNQCLSA-N 1 1 314.385 3.286 20 5 DGBDMO Cc1ccc([N+](=O)[O-])cc1NC(=O)C[N@H+](C)[C@H](C)C(C)(C)C ZINC000027133113 400267539 /nfs/dbraw/zinc/26/75/39/400267539.db2.gz MWEYLHNQIXTRPQ-GFCCVEGCSA-N 1 1 307.394 3.208 20 5 DGBDMO C[N@H+]1CC[C@@H]2[C@H](CCCN2Cc2ccc([N+](=O)[O-])cc2Cl)C1 ZINC000589206615 400276927 /nfs/dbraw/zinc/27/69/27/400276927.db2.gz WYFLZIURQOAQCD-CZUORRHYSA-N 1 1 323.824 3.164 20 5 DGBDMO COc1cc(C[N@H+]2CCC[C@H](C3CC3)C2)c([N+](=O)[O-])cc1OC ZINC000589209550 400276967 /nfs/dbraw/zinc/27/69/67/400276967.db2.gz MSOOKGGYGGZTRA-ZDUSSCGKSA-N 1 1 320.389 3.234 20 5 DGBDMO C[C@H](C(=O)Nc1ccccc1[N+](=O)[O-])[N@@H+]1[C@@H]2CC[C@H]1CC(C)C2 ZINC000595858015 400282325 /nfs/dbraw/zinc/28/23/25/400282325.db2.gz QIDZJICCNYQLTN-CPIKKWJDSA-N 1 1 317.389 3.185 20 5 DGBDMO CC1C[C@H]2CC[C@@H](C1)[N@@H+]2CCC(=O)Nc1ccccc1[N+](=O)[O-] ZINC000595856444 400282440 /nfs/dbraw/zinc/28/24/40/400282440.db2.gz CNZRHNARTBWKRJ-AGUYFDCRSA-N 1 1 317.389 3.186 20 5 DGBDMO CC[C@@H](C)[N@@H+](C)CCNc1ccc([N+](=O)[O-])cc1OC(F)F ZINC000589571692 400306144 /nfs/dbraw/zinc/30/61/44/400306144.db2.gz GNGWVMQLSVQBOU-SNVBAGLBSA-N 1 1 317.336 3.338 20 5 DGBDMO Cc1ccc([N+](=O)[O-])cc1NC(=O)C[N@H+](C)[C@@H]1CCC[C@@H](C)C1 ZINC000026468685 400258023 /nfs/dbraw/zinc/25/80/23/400258023.db2.gz ALTSKPGOPXCWJN-TZMCWYRMSA-N 1 1 319.405 3.352 20 5 DGBDMO Cn1c2ccc(Nc3cccnc3[N+](=O)[O-])cc2[nH+]c1C1CC1 ZINC000611166163 400353158 /nfs/dbraw/zinc/35/31/58/400353158.db2.gz WEUGMHPKZJMUMC-UHFFFAOYSA-N 1 1 309.329 3.498 20 5 DGBDMO COc1cc(N[C@H](C)C[N@@H+](C)C(C)C)c(Cl)cc1[N+](=O)[O-] ZINC000596239172 400357992 /nfs/dbraw/zinc/35/79/92/400357992.db2.gz YJCHGRBKAZCPAK-SNVBAGLBSA-N 1 1 315.801 3.397 20 5 DGBDMO CC[N@H+]1CCCN(c2ccc([N+](=O)[O-])c3cnccc32)[C@@H](C)C1 ZINC000596267996 400366993 /nfs/dbraw/zinc/36/69/93/400366993.db2.gz BDKSAVGSLDFYDO-ZDUSSCGKSA-N 1 1 314.389 3.064 20 5 DGBDMO CCOC(=O)CC[N@@H+](C/C=C\c1ccccc1[N+](=O)[O-])C1CC1 ZINC000611265282 400368355 /nfs/dbraw/zinc/36/83/55/400368355.db2.gz MMVOSIGTDFSFIS-ALCCZGGFSA-N 1 1 318.373 3.026 20 5 DGBDMO CC(C)(C)[N@H+]1CC[C@@H](CNc2c(F)cc([N+](=O)[O-])cc2F)C1 ZINC000596306456 400375890 /nfs/dbraw/zinc/37/58/90/400375890.db2.gz DKSUBUJKFVOHBN-JTQLQIEISA-N 1 1 313.348 3.405 20 5 DGBDMO CCOc1cc(NC[C@@H]2CC[N@H+]2C(C)(C)C)ccc1[N+](=O)[O-] ZINC000596308472 400375995 /nfs/dbraw/zinc/37/59/95/400375995.db2.gz SQWOXJYRKMCOAZ-ZDUSSCGKSA-N 1 1 307.394 3.278 20 5 DGBDMO COCc1cc([N+](=O)[O-])ccc1NC[C@@H]1CC[N@H+]1C(C)(C)C ZINC000596306587 400376016 /nfs/dbraw/zinc/37/60/16/400376016.db2.gz GVZVMGKSGGSXML-AWEZNQCLSA-N 1 1 307.394 3.026 20 5 DGBDMO CC(C)(C)[N@H+]1CC[C@H](CNc2c(F)cc([N+](=O)[O-])cc2F)C1 ZINC000596306467 400376234 /nfs/dbraw/zinc/37/62/34/400376234.db2.gz DKSUBUJKFVOHBN-SNVBAGLBSA-N 1 1 313.348 3.405 20 5 DGBDMO Cc1cccc(NCCNc2ccc([N+](=O)[O-])c3cnccc23)[nH+]1 ZINC000357883695 285908336 /nfs/dbraw/zinc/90/83/36/285908336.db2.gz BZINOJMXMNARSD-UHFFFAOYSA-N 1 1 323.356 3.370 20 5 DGBDMO Cc1cc([N+](=O)[O-])cnc1N[C@H]1CC[N@H+](C2CCCCC2)C1 ZINC000596478963 400424380 /nfs/dbraw/zinc/42/43/80/400424380.db2.gz QJYHJTKAFAPWPA-ZDUSSCGKSA-N 1 1 304.394 3.117 20 5 DGBDMO C[N@@H+](CCCOc1ccccc1)Cc1ccc([N+](=O)[O-])cc1 ZINC000042133267 400424993 /nfs/dbraw/zinc/42/49/93/400424993.db2.gz SGKKCQFWCLOROA-UHFFFAOYSA-N 1 1 300.358 3.496 20 5 DGBDMO CCC[N@H+]1CC[C@@H](Nc2ccc([N+](=O)[O-])c(OC(F)F)c2)C1 ZINC000596515999 400435846 /nfs/dbraw/zinc/43/58/46/400435846.db2.gz BLHGLGNTASGSKJ-LLVKDONJSA-N 1 1 315.320 3.092 20 5 DGBDMO CCO[C@@H]1CC[N@@H+](CCCOc2ccc([N+](=O)[O-])cc2)C[C@H]1C ZINC000590756969 400429624 /nfs/dbraw/zinc/42/96/24/400429624.db2.gz VDXOZKGRJABSTD-RHSMWYFYSA-N 1 1 322.405 3.111 20 5 DGBDMO CCC[N@@H+](C)CC(C)(C)Nc1ncnc2sc([N+](=O)[O-])cc21 ZINC000596541436 400440252 /nfs/dbraw/zinc/44/02/52/400440252.db2.gz FXYWQGPUTOYEQX-UHFFFAOYSA-N 1 1 323.422 3.132 20 5 DGBDMO O=[N+]([O-])c1ccc(C[N@H+](CCO)[C@@H]2CCc3ccccc32)cc1 ZINC000074311679 400503165 /nfs/dbraw/zinc/50/31/65/400503165.db2.gz JXQJOCMBQWYVFW-GOSISDBHSA-N 1 1 312.369 3.077 20 5 DGBDMO CO[C@H]1CCC[N@H+](Cc2ccc(C(F)(F)F)cc2[N+](=O)[O-])C1 ZINC000602451139 400467033 /nfs/dbraw/zinc/46/70/33/400467033.db2.gz YEBNCJCWXPMPPW-LBPRGKRZSA-N 1 1 318.295 3.224 20 5 DGBDMO CO[C@H]1CCC[N@@H+](Cc2ccc(C(F)(F)F)cc2[N+](=O)[O-])C1 ZINC000602451139 400467039 /nfs/dbraw/zinc/46/70/39/400467039.db2.gz YEBNCJCWXPMPPW-LBPRGKRZSA-N 1 1 318.295 3.224 20 5 DGBDMO Cc1ncc([N+](=O)[O-])n1CC[N@H+]([C@@H](C)c1ccccc1)C1CC1 ZINC000602791173 400574926 /nfs/dbraw/zinc/57/49/26/400574926.db2.gz MAJAGNGOXFVJLC-ZDUSSCGKSA-N 1 1 314.389 3.325 20 5 DGBDMO Cc1[nH+]ccn1CCCSCCOc1ccc([N+](=O)[O-])cc1 ZINC000591408945 400520977 /nfs/dbraw/zinc/52/09/77/400520977.db2.gz QGFFRYZIPVHYPS-UHFFFAOYSA-N 1 1 321.402 3.302 20 5 DGBDMO COCc1csc(C[N@H+](C)Cc2ccccc2[N+](=O)[O-])c1 ZINC000596980037 400532483 /nfs/dbraw/zinc/53/24/83/400532483.db2.gz SRZPZBJWDVZMQV-UHFFFAOYSA-N 1 1 306.387 3.435 20 5 DGBDMO COCc1csc(C[N@@H+](C)Cc2ccccc2[N+](=O)[O-])c1 ZINC000596980037 400532488 /nfs/dbraw/zinc/53/24/88/400532488.db2.gz SRZPZBJWDVZMQV-UHFFFAOYSA-N 1 1 306.387 3.435 20 5 DGBDMO O=[N+]([O-])c1ccc2oc(C[N@@H+]3CCSC[C@H]3C3CC3)nc2c1 ZINC000602686500 400539694 /nfs/dbraw/zinc/53/96/94/400539694.db2.gz WFLBKQYKUXRYQB-ZDUSSCGKSA-N 1 1 319.386 3.063 20 5 DGBDMO O=[N+]([O-])c1ccc2oc(C[N@H+]3CCSC[C@H]3C3CC3)nc2c1 ZINC000602686500 400539696 /nfs/dbraw/zinc/53/96/96/400539696.db2.gz WFLBKQYKUXRYQB-ZDUSSCGKSA-N 1 1 319.386 3.063 20 5 DGBDMO CCOC[C@@H]1CCCC[N@@H+]1Cc1nc2cc([N+](=O)[O-])ccc2o1 ZINC000602690296 400539780 /nfs/dbraw/zinc/53/97/80/400539780.db2.gz IOVNXELXIUMXSE-ZDUSSCGKSA-N 1 1 319.361 3.127 20 5 DGBDMO CCOC[C@@H]1CCCC[N@H+]1Cc1nc2cc([N+](=O)[O-])ccc2o1 ZINC000602690296 400539784 /nfs/dbraw/zinc/53/97/84/400539784.db2.gz IOVNXELXIUMXSE-ZDUSSCGKSA-N 1 1 319.361 3.127 20 5 DGBDMO C[C@@H](N)C[NH2+][C@@H](C)c1ccc(-c2ccccc2[N+](=O)[O-])s1 ZINC000591580660 400543051 /nfs/dbraw/zinc/54/30/51/400543051.db2.gz JCXHKCWEVYYQEF-MNOVXSKESA-N 1 1 305.403 3.321 20 5 DGBDMO Cc1c(C[N@H+]2C[C@H](C)OC3(CCCC3)C2)cccc1[N+](=O)[O-] ZINC000592188415 400621417 /nfs/dbraw/zinc/62/14/17/400621417.db2.gz PCJINEZXSXTEJD-ZDUSSCGKSA-N 1 1 304.390 3.437 20 5 DGBDMO Cc1c(C[N@@H+]2C[C@H](C)OC3(CCCC3)C2)cccc1[N+](=O)[O-] ZINC000592188415 400621420 /nfs/dbraw/zinc/62/14/20/400621420.db2.gz PCJINEZXSXTEJD-ZDUSSCGKSA-N 1 1 304.390 3.437 20 5 DGBDMO CC[NH+](CC)CC1CCN(Cc2ccccc2[N+](=O)[O-])CC1 ZINC000047978329 400638206 /nfs/dbraw/zinc/63/82/06/400638206.db2.gz FPGQDRVWQOBTRA-UHFFFAOYSA-N 1 1 305.422 3.149 20 5 DGBDMO CC(C)c1ccc(C[N@H+]2C[C@@H]3COC[C@@]3(C)C2)cc1[N+](=O)[O-] ZINC000597211683 400589643 /nfs/dbraw/zinc/58/96/43/400589643.db2.gz NOAGNAMSLIWNJJ-RHSMWYFYSA-N 1 1 304.390 3.187 20 5 DGBDMO Cc1ncc([N+](=O)[O-])n1CC[N@@H+](Cc1ccsc1)C(C)(C)C ZINC000602885299 400598782 /nfs/dbraw/zinc/59/87/82/400598782.db2.gz SSZTWOKTRKWLHP-UHFFFAOYSA-N 1 1 322.434 3.462 20 5 DGBDMO Cc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@@H+]1CCCC[C@@H]1C ZINC000150070553 400663103 /nfs/dbraw/zinc/66/31/03/400663103.db2.gz ODITWRATURTUMF-ZDUSSCGKSA-N 1 1 305.378 3.106 20 5 DGBDMO Cc1ccc(C[N@@H+]2CC3(C[C@H]2C)CCOCC3)cc1[N+](=O)[O-] ZINC000592525595 400664994 /nfs/dbraw/zinc/66/49/94/400664994.db2.gz AFFQOSKCNGIZNE-CQSZACIVSA-N 1 1 304.390 3.294 20 5 DGBDMO C[NH+](C)[C@H](CNc1cccnc1[N+](=O)[O-])c1ccccc1Cl ZINC000603838568 400720878 /nfs/dbraw/zinc/72/08/78/400720878.db2.gz SDXUESNZYHTCOE-CQSZACIVSA-N 1 1 320.780 3.358 20 5 DGBDMO Cc1c(C[N@@H+](C)CCOc2ccccc2)cccc1[N+](=O)[O-] ZINC000603839309 400720989 /nfs/dbraw/zinc/72/09/89/400720989.db2.gz OCHCSBIWCIRPKE-UHFFFAOYSA-N 1 1 300.358 3.414 20 5 DGBDMO C[C@@H]1C[C@H](C)C[N@H+](CCCCNc2cccnc2[N+](=O)[O-])C1 ZINC000603860708 400725761 /nfs/dbraw/zinc/72/57/61/400725761.db2.gz UPKJEUUYZVVXMI-OKILXGFUSA-N 1 1 306.410 3.160 20 5 DGBDMO O=[N+]([O-])c1cccc(C[N@@H+]2C[C@H]3CN(c4ccccc4)C[C@H]3C2)c1 ZINC000603864381 400726775 /nfs/dbraw/zinc/72/67/75/400726775.db2.gz BQZHRZKXFTYMEH-CALCHBBNSA-N 1 1 323.396 3.163 20 5 DGBDMO O=[N+]([O-])c1cccc(C[N@@H+]2CCO[C@]3(CCc4ccccc43)C2)c1 ZINC000158933699 400727235 /nfs/dbraw/zinc/72/72/35/400727235.db2.gz SDZMDBQNTDQZHY-LJQANCHMSA-N 1 1 324.380 3.269 20 5 DGBDMO O=[N+]([O-])c1cccc(C[N@H+]2CCO[C@]3(CCc4ccccc43)C2)c1 ZINC000158933699 400727238 /nfs/dbraw/zinc/72/72/38/400727238.db2.gz SDZMDBQNTDQZHY-LJQANCHMSA-N 1 1 324.380 3.269 20 5 DGBDMO Cc1c(C[N@@H+](C)Cc2ccc3c(c2)OCO3)cccc1[N+](=O)[O-] ZINC000051588772 400706134 /nfs/dbraw/zinc/70/61/34/400706134.db2.gz RJFVUNYJSDEULD-UHFFFAOYSA-N 1 1 314.341 3.264 20 5 DGBDMO Cc1cnc(NCCCC[N@@H+]2CCCC[C@@H]2C)c([N+](=O)[O-])c1 ZINC000078631139 400816460 /nfs/dbraw/zinc/81/64/60/400816460.db2.gz FBJREVOEJMQCAE-AWEZNQCLSA-N 1 1 306.410 3.365 20 5 DGBDMO Cc1c(NC(=O)[C@H](C)[N@H+](C)CCC(C)C)cccc1[N+](=O)[O-] ZINC000053365428 400777786 /nfs/dbraw/zinc/77/77/86/400777786.db2.gz HWHIJSZVDYSNHV-ZDUSSCGKSA-N 1 1 307.394 3.208 20 5 DGBDMO Cc1[nH+]ccn1CCCCNc1ncc([N+](=O)[O-])cc1Cl ZINC000078336133 400789490 /nfs/dbraw/zinc/78/94/90/400789490.db2.gz OPJLQAXUZUMMPB-UHFFFAOYSA-N 1 1 309.757 3.040 20 5 DGBDMO CC(C)c1ccc(C[N@H+]2CC[C@@H](C)[C@@H](CO)C2)cc1[N+](=O)[O-] ZINC000598676246 400854997 /nfs/dbraw/zinc/85/49/97/400854997.db2.gz FROZUCQDSIWTGM-UKRRQHHQSA-N 1 1 306.406 3.169 20 5 DGBDMO COc1cc([N+](=O)[O-])ccc1C[NH2+][C@@H](C)c1c(C)noc1C ZINC000619531704 400862727 /nfs/dbraw/zinc/86/27/27/400862727.db2.gz DJLYZYDXTDIJAF-VIFPVBQESA-N 1 1 305.334 3.059 20 5 DGBDMO CC(C)O[C@H]1CCC[N@@H+](C/C=C/c2ccccc2[N+](=O)[O-])C1 ZINC000593660332 400887629 /nfs/dbraw/zinc/88/76/29/400887629.db2.gz PCTOEERZAVGYLV-WHWKNOJMSA-N 1 1 304.390 3.497 20 5 DGBDMO Cc1c([C@@H](C)[NH2+]C[C@H]2CCCC[N@@H+](C)C2)cccc1[N+](=O)[O-] ZINC000599069299 400949119 /nfs/dbraw/zinc/94/91/19/400949119.db2.gz FKLKHOIQPPOHJZ-HUUCEWRRSA-N 1 1 305.422 3.286 20 5 DGBDMO Cc1c([C@@H](C)NC[C@H]2CCCC[N@H+](C)C2)cccc1[N+](=O)[O-] ZINC000599069299 400949122 /nfs/dbraw/zinc/94/91/22/400949122.db2.gz FKLKHOIQPPOHJZ-HUUCEWRRSA-N 1 1 305.422 3.286 20 5 DGBDMO Cc1c([C@@H](C)NC[C@H]2CCCC[N@@H+](C)C2)cccc1[N+](=O)[O-] ZINC000599069299 400949124 /nfs/dbraw/zinc/94/91/24/400949124.db2.gz FKLKHOIQPPOHJZ-HUUCEWRRSA-N 1 1 305.422 3.286 20 5 DGBDMO C[C@H](CCc1ccccc1[N+](=O)[O-])[NH2+]C[C@H]1CCCC[N@@H+](C)C1 ZINC000599071789 400949883 /nfs/dbraw/zinc/94/98/83/400949883.db2.gz SWIZXRNBOVTKAJ-HZPDHXFCSA-N 1 1 319.449 3.237 20 5 DGBDMO COc1ccc(C[N@H+]2CCC[C@H](OC3CCC3)C2)cc1[N+](=O)[O-] ZINC000594026375 400952296 /nfs/dbraw/zinc/95/22/96/400952296.db2.gz KFFQQNOOYUCRCT-HNNXBMFYSA-N 1 1 320.389 3.137 20 5 DGBDMO COc1ccc([N+](=O)[O-])cc1C[N@@H+]1CCC[C@H](OC2CCC2)C1 ZINC000594026217 400952974 /nfs/dbraw/zinc/95/29/74/400952974.db2.gz GMPLXAGJZFLKNJ-INIZCTEOSA-N 1 1 320.389 3.137 20 5 DGBDMO COc1ccc([N+](=O)[O-])cc1C[N@H+]1CCC[C@H](OC2CCC2)C1 ZINC000594026217 400952980 /nfs/dbraw/zinc/95/29/80/400952980.db2.gz GMPLXAGJZFLKNJ-INIZCTEOSA-N 1 1 320.389 3.137 20 5 DGBDMO C[N@H+]1CCCC[C@@H](CNCc2ccc([N+](=O)[O-])cc2Cl)C1 ZINC000598993398 400922622 /nfs/dbraw/zinc/92/26/22/400922622.db2.gz AWLMXQMWTAMXNV-LBPRGKRZSA-N 1 1 311.813 3.070 20 5 DGBDMO O=[N+]([O-])c1ccc(CNC[C@@H]2CC[N@H+]2C2CCCC2)c(Cl)c1 ZINC000598998678 400924629 /nfs/dbraw/zinc/92/46/29/400924629.db2.gz UHMLOOMXPDETDM-HNNXBMFYSA-N 1 1 323.824 3.355 20 5 DGBDMO O=[N+]([O-])c1ccc(C[NH2+]C[C@@H]2CCN2C2CCCC2)c(Cl)c1 ZINC000598998678 400924633 /nfs/dbraw/zinc/92/46/33/400924633.db2.gz UHMLOOMXPDETDM-HNNXBMFYSA-N 1 1 323.824 3.355 20 5 DGBDMO O=[N+]([O-])c1c2ccncc2ccc1N1CCC[C@@H](c2[nH]cc[nH+]2)C1 ZINC000599041353 400935293 /nfs/dbraw/zinc/93/52/93/400935293.db2.gz RXJPSEDLMRPWPV-CYBMUJFWSA-N 1 1 323.356 3.250 20 5 DGBDMO C[C@@H](c1ccccc1[N+](=O)[O-])[N@H+]1CCC[C@H](c2ncc[nH]2)C1 ZINC000080960527 401007279 /nfs/dbraw/zinc/00/72/79/401007279.db2.gz MGPQRAVCPHFOFW-STQMWFEESA-N 1 1 300.362 3.259 20 5 DGBDMO CC(C)[C@@H]1CCC[N@@H+](Cc2cc3c(cc2[N+](=O)[O-])OCCO3)C1 ZINC000615141188 401015113 /nfs/dbraw/zinc/01/51/13/401015113.db2.gz HHJOQPWGHYXKKN-CYBMUJFWSA-N 1 1 320.389 3.234 20 5 DGBDMO O=[N+]([O-])c1ccc(OCCC[N@H+]2CCCC(F)(F)CC2)cc1 ZINC000599552243 401074852 /nfs/dbraw/zinc/07/48/52/401074852.db2.gz YWCFZFROCGQIGE-UHFFFAOYSA-N 1 1 314.332 3.485 20 5 DGBDMO COc1ccc([N+](=O)[O-])cc1C[N@@H+]1CCCC(F)(F)CC1 ZINC000599552069 401075372 /nfs/dbraw/zinc/07/53/72/401075372.db2.gz UWRDEULOTHYFBJ-UHFFFAOYSA-N 1 1 300.305 3.225 20 5 DGBDMO COc1ccc([N+](=O)[O-])cc1C[N@H+]1CCCC(F)(F)CC1 ZINC000599552069 401075374 /nfs/dbraw/zinc/07/53/74/401075374.db2.gz UWRDEULOTHYFBJ-UHFFFAOYSA-N 1 1 300.305 3.225 20 5 DGBDMO Cn1nc(C[NH2+][C@H]2CCc3c2cccc3[N+](=O)[O-])c2ccccc21 ZINC000594501114 401082630 /nfs/dbraw/zinc/08/26/30/401082630.db2.gz RECBCNJSAOMVRO-HNNXBMFYSA-N 1 1 322.368 3.259 20 5 DGBDMO C[N@@H+](CCOc1ccc(F)cc1)Cc1cccc([N+](=O)[O-])c1 ZINC000057951637 401037886 /nfs/dbraw/zinc/03/78/86/401037886.db2.gz VURISUNLBDLYSD-UHFFFAOYSA-N 1 1 304.321 3.245 20 5 DGBDMO O=[N+]([O-])c1cnc(N[C@H]2CCC[N@H+]3CCCC[C@H]23)c(Cl)c1 ZINC000594598799 401123729 /nfs/dbraw/zinc/12/37/29/401123729.db2.gz HYGUITHLQQKKFY-QWHCGFSZSA-N 1 1 310.785 3.072 20 5 DGBDMO CC(=O)c1ccc(N[C@H]2CCC[N@H+]3CCCC[C@@H]23)c([N+](=O)[O-])c1 ZINC000594600556 401125814 /nfs/dbraw/zinc/12/58/14/401125814.db2.gz MBLYXTPKNQISAM-HOCLYGCPSA-N 1 1 317.389 3.226 20 5 DGBDMO COCc1cc([N+](=O)[O-])ccc1N[C@@H]1CCC[N@H+]2CCCC[C@@H]12 ZINC000594603338 401127461 /nfs/dbraw/zinc/12/74/61/401127461.db2.gz UHZGFPZGZAXXFB-SJORKVTESA-N 1 1 319.405 3.170 20 5 DGBDMO COc1cc(C[N@@H+]2CCC(F)(F)C[C@H]2C)ccc1[N+](=O)[O-] ZINC000599621591 401093880 /nfs/dbraw/zinc/09/38/80/401093880.db2.gz BHMJNGPKQCXKSV-SNVBAGLBSA-N 1 1 300.305 3.223 20 5 DGBDMO COc1cc(C[N@H+]2CCC(F)(F)C[C@H]2C)ccc1[N+](=O)[O-] ZINC000599621591 401093882 /nfs/dbraw/zinc/09/38/82/401093882.db2.gz BHMJNGPKQCXKSV-SNVBAGLBSA-N 1 1 300.305 3.223 20 5 DGBDMO C[C@H](N[C@H]1CCC[N@@H+]2CCCC[C@@H]12)c1ccccc1[N+](=O)[O-] ZINC000594519394 401097270 /nfs/dbraw/zinc/09/72/70/401097270.db2.gz KHYIOSPHMZUKJH-QRTARXTBSA-N 1 1 303.406 3.262 20 5 DGBDMO C[C@H](N[C@H]1CCC[N@H+]2CCCC[C@@H]12)c1ccccc1[N+](=O)[O-] ZINC000594519394 401097276 /nfs/dbraw/zinc/09/72/76/401097276.db2.gz KHYIOSPHMZUKJH-QRTARXTBSA-N 1 1 303.406 3.262 20 5 DGBDMO CC[N@H+]1CCN(C/C(C)=C\c2cccc([N+](=O)[O-])c2)C[C@@H]1C ZINC000615835315 401161494 /nfs/dbraw/zinc/16/14/94/401161494.db2.gz ISOVGUGJICBBAI-LTBFUDJGSA-N 1 1 303.406 3.024 20 5 DGBDMO CC(C)[N@H+]1CCC[C@H](CNc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])C1 ZINC000063738980 401214337 /nfs/dbraw/zinc/21/43/37/401214337.db2.gz GDQHFNONHPJPHD-GFCCVEGCSA-N 1 1 322.365 3.035 20 5 DGBDMO C[N@@H+](Cc1ccc(-c2ccccc2[N+](=O)[O-])o1)CC1(C)COC1 ZINC000600190195 401215635 /nfs/dbraw/zinc/21/56/35/401215635.db2.gz KSBQYLTVQXZZOW-UHFFFAOYSA-N 1 1 316.357 3.323 20 5 DGBDMO C[C@H](C[NH+]1CCC(C)CC1)NC/C=C\c1ccccc1[N+](=O)[O-] ZINC000594978897 401218302 /nfs/dbraw/zinc/21/83/02/401218302.db2.gz CTMUMJWCZJQZMK-GMNBZTITSA-N 1 1 317.433 3.318 20 5 DGBDMO COCc1csc(C[NH2+]Cc2ccc([N+](=O)[O-])cc2F)c1 ZINC000594987129 401220389 /nfs/dbraw/zinc/22/03/89/401220389.db2.gz WNHFUWCNJVHNKD-UHFFFAOYSA-N 1 1 310.350 3.232 20 5 DGBDMO CC[N@@H+](CCOc1ccc([N+](=O)[O-])cc1)Cc1ccccc1 ZINC000065208345 401259660 /nfs/dbraw/zinc/25/96/60/401259660.db2.gz NJMMNKUSGLTRGC-UHFFFAOYSA-N 1 1 300.358 3.496 20 5 DGBDMO Cc1cc(C)c([N+](=O)[O-])c(NCCC[N@@H+]2CCCC[C@H]2C)n1 ZINC000359110613 286239524 /nfs/dbraw/zinc/23/95/24/286239524.db2.gz SIQGSEGJQMHOAZ-CQSZACIVSA-N 1 1 306.410 3.283 20 5 DGBDMO CN1CCN(Cc2ccc([N+](=O)[O-])cc2Cl)c2ccc[nH+]c21 ZINC000360206941 286442230 /nfs/dbraw/zinc/44/22/30/286442230.db2.gz DCEYKPIUZPFVGK-UHFFFAOYSA-N 1 1 318.764 3.100 20 5 DGBDMO CCC[N@@H+](CC)CCNC(=O)Nc1cc([N+](=O)[O-])c(C)cc1C ZINC000184479764 164978639 /nfs/dbraw/zinc/97/86/39/164978639.db2.gz YPHMSDUMLQEJAE-UHFFFAOYSA-N 1 1 322.409 3.065 20 5 DGBDMO CC[C@@H]1[C@@H](C)CC[N@H+]1CCC(=O)Nc1ccc([N+](=O)[O-])cc1C ZINC000185667225 165012415 /nfs/dbraw/zinc/01/24/15/165012415.db2.gz DFMINPJCWVCBRA-BLLLJJGKSA-N 1 1 319.405 3.352 20 5 DGBDMO O=[N+]([O-])c1cnc(N2CCC[N@@H+](CC3CCCCC3)CC2)s1 ZINC000195510246 165372072 /nfs/dbraw/zinc/37/20/72/165372072.db2.gz BXVMEAAFBGVSAX-UHFFFAOYSA-N 1 1 324.450 3.144 20 5 DGBDMO COCc1ccc(C[NH2+]C(C)(C)c2ccc([N+](=O)[O-])cc2)o1 ZINC000129137076 196022856 /nfs/dbraw/zinc/02/28/56/196022856.db2.gz BVYXHDIAVIWUFG-UHFFFAOYSA-N 1 1 304.346 3.359 20 5 DGBDMO C[N@@H+](Cc1ccc([N+](=O)[O-])cc1Cl)[C@H](CO)C(C)(C)C ZINC000182354122 432182306 /nfs/dbraw/zinc/18/23/06/432182306.db2.gz ALUPEJWPTUZFMX-CYBMUJFWSA-N 1 1 300.786 3.087 20 5 DGBDMO C[N@H+]1CC[C@H](CNC(=O)c2cc3ccccc3c3cccnc23)C1 ZINC000171954644 432185693 /nfs/dbraw/zinc/18/56/93/432185693.db2.gz LVTAAUSMSWVAGX-CQSZACIVSA-N 1 1 319.408 3.070 20 5 DGBDMO CC[C@H]1CCCCC[N@H+]1CC(=O)Nc1c(C)cccc1[N+](=O)[O-] ZINC000150738145 432189419 /nfs/dbraw/zinc/18/94/19/432189419.db2.gz GTEGFJLVOKPCMC-AWEZNQCLSA-N 1 1 319.405 3.496 20 5 DGBDMO C[C@H](c1ccco1)[N@@H+](C[C@H](O)c1cccc([N+](=O)[O-])c1)C1CC1 ZINC000269660669 432193873 /nfs/dbraw/zinc/19/38/73/432193873.db2.gz QBMMGWZGWDRJKE-WBMJQRKESA-N 1 1 316.357 3.447 20 5 DGBDMO Cc1c([C@H](C)NCC[N@@H+]2CCC[C@@H](C)C2)cccc1[N+](=O)[O-] ZINC000247030390 432194498 /nfs/dbraw/zinc/19/44/98/432194498.db2.gz MFFFKMPVPWPOKG-HIFRSBDPSA-N 1 1 305.422 3.286 20 5 DGBDMO Cc1c([C@H](C)NCC[N@H+]2CCC[C@@H](C)C2)cccc1[N+](=O)[O-] ZINC000247030390 432194501 /nfs/dbraw/zinc/19/45/01/432194501.db2.gz MFFFKMPVPWPOKG-HIFRSBDPSA-N 1 1 305.422 3.286 20 5 DGBDMO O=[N+]([O-])c1cccc([C@@H](O)C[N@H+]2CCCc3ccccc3C2)c1 ZINC000269666328 432195661 /nfs/dbraw/zinc/19/56/61/432195661.db2.gz SEOPBMZPHZPRDT-SFHVURJKSA-N 1 1 312.369 3.077 20 5 DGBDMO CCOC(=O)[C@@H]1CCC[N@H+]([C@@H](C)c2cc([N+](=O)[O-])ccc2C)C1 ZINC000182594715 432209131 /nfs/dbraw/zinc/20/91/31/432209131.db2.gz IZPIDMKXJSOUHR-UONOGXRCSA-N 1 1 320.389 3.239 20 5 DGBDMO Cc1ccc([C@H](C)NCC[NH+]2CCC(C)CC2)cc1[N+](=O)[O-] ZINC000132394964 196252810 /nfs/dbraw/zinc/25/28/10/196252810.db2.gz SEVSOPMGIQMGPI-HNNXBMFYSA-N 1 1 305.422 3.286 20 5 DGBDMO Cc1ccc([C@H](C)[NH2+][C@H]2C[C@H](C)n3ccnc32)cc1[N+](=O)[O-] ZINC000296698971 226136842 /nfs/dbraw/zinc/13/68/42/226136842.db2.gz HORQZAPXTMRBTK-OBJOEFQTSA-N 1 1 300.362 3.456 20 5 DGBDMO Cc1cccc2ncc(C[N@@H+](C)CCc3ccccc3[N+](=O)[O-])n21 ZINC000348675009 229206662 /nfs/dbraw/zinc/20/66/62/229206662.db2.gz PINVOQFLDKYWHP-UHFFFAOYSA-N 1 1 324.384 3.225 20 5 DGBDMO Cc1cc([N+](=O)[O-])cnc1NCC(C)(C)[N@H+]1CCC[C@H](C)C1 ZINC000301968134 230009650 /nfs/dbraw/zinc/00/96/50/230009650.db2.gz XQBZIJYQUMSUDC-LBPRGKRZSA-N 1 1 306.410 3.221 20 5 DGBDMO C[C@H]1CCCC[N@H+]1CCCCNc1ncc([N+](=O)[O-])cc1F ZINC000413058937 230121867 /nfs/dbraw/zinc/12/18/67/230121867.db2.gz IZUSXORVVSBHHH-LBPRGKRZSA-N 1 1 310.373 3.195 20 5 DGBDMO C[C@H](CO)[N@@H+](Cc1ccc(Cl)cc1[N+](=O)[O-])C1CCCC1 ZINC000347183973 264171264 /nfs/dbraw/zinc/17/12/64/264171264.db2.gz AYFYIGHUEHPUHV-LLVKDONJSA-N 1 1 312.797 3.374 20 5 DGBDMO Cc1ccc(C[N@H+]2CCC[C@H]2C2CCOCC2)cc1[N+](=O)[O-] ZINC000347679664 264266214 /nfs/dbraw/zinc/26/62/14/264266214.db2.gz JRMUTILKRNJPQG-INIZCTEOSA-N 1 1 304.390 3.294 20 5 DGBDMO COc1ccc(OCC[N@H+]2CCCC3(CCC3)C2)c([N+](=O)[O-])c1 ZINC000348192689 264362107 /nfs/dbraw/zinc/36/21/07/264362107.db2.gz IZYXHTYDOUECGT-UHFFFAOYSA-N 1 1 320.389 3.248 20 5 DGBDMO C[N@@H+](Cc1ccc(-c2ccccc2[N+](=O)[O-])o1)[C@H]1CCCOC1 ZINC000348719166 264441829 /nfs/dbraw/zinc/44/18/29/264441829.db2.gz ZHOKWLWIMMABCP-ZDUSSCGKSA-N 1 1 316.357 3.466 20 5 DGBDMO CCO[C@@H]1C[C@H]([N@@H+](C)Cc2ccc([N+](=O)[O-])cc2F)C1(C)C ZINC000352613844 265105182 /nfs/dbraw/zinc/10/51/82/265105182.db2.gz ZIWOMVTZYJCASD-LSDHHAIUSA-N 1 1 310.369 3.369 20 5 DGBDMO COc1cc([N+](=O)[O-])ccc1C[N@H+]1CCCCC[C@H]1C[C@H](C)O ZINC000352888914 265215637 /nfs/dbraw/zinc/21/56/37/265215637.db2.gz WHFLROHPPZGQIY-ZFWWWQNUSA-N 1 1 322.405 3.119 20 5 DGBDMO O=[N+]([O-])c1cccc(Cl)c1C[N@@H+]1CC[C@@H](COC(F)F)C1 ZINC000353020908 265268984 /nfs/dbraw/zinc/26/89/84/265268984.db2.gz BQLGFOXMSSHMJM-SECBINFHSA-N 1 1 320.723 3.309 20 5 DGBDMO O=[N+]([O-])c1cccc(Cl)c1C[N@H+]1CC[C@@H](COC(F)F)C1 ZINC000353020908 265268988 /nfs/dbraw/zinc/26/89/88/265268988.db2.gz BQLGFOXMSSHMJM-SECBINFHSA-N 1 1 320.723 3.309 20 5 DGBDMO C[C@H]([NH2+]Cc1csc([N+](=O)[O-])c1)c1ccc2n[nH]cc2c1 ZINC000353105325 265298639 /nfs/dbraw/zinc/29/86/39/265298639.db2.gz ASXUEGRCOOPITE-VIFPVBQESA-N 1 1 302.359 3.383 20 5 DGBDMO C[C@H]([NH2+]Cc1c(F)cccc1[N+](=O)[O-])c1ccc2n[nH]cc2c1 ZINC000353173704 265329324 /nfs/dbraw/zinc/32/93/24/265329324.db2.gz WJDIEHSAUNSHND-JTQLQIEISA-N 1 1 314.320 3.461 20 5 DGBDMO COc1cccc(NC[C@H](C)[N@H+]2CCC[C@H](C)C2)c1[N+](=O)[O-] ZINC000355333894 266041803 /nfs/dbraw/zinc/04/18/03/266041803.db2.gz RBBMHMGAQHRXHG-STQMWFEESA-N 1 1 307.394 3.136 20 5 DGBDMO CC(C)C[C@@]1(CO)CCC[N@H+]1Cc1ccc([N+](=O)[O-])cc1F ZINC000355363006 266051734 /nfs/dbraw/zinc/05/17/34/266051734.db2.gz BJZSBZCVACRZBW-MRXNPFEDSA-N 1 1 310.369 3.107 20 5 DGBDMO CC(C)[C@@H]1C[N@@H+](C)CCN1Cc1ccc([N+](=O)[O-])cc1Cl ZINC000355366219 266051997 /nfs/dbraw/zinc/05/19/97/266051997.db2.gz NAVGKMREPMQGDJ-HNNXBMFYSA-N 1 1 311.813 3.020 20 5 DGBDMO CC[C@H](c1ccccc1)[N@H+](CC)Cc1c([N+](=O)[O-])ncn1C ZINC000355540655 266108998 /nfs/dbraw/zinc/10/89/98/266108998.db2.gz GXJXQKSDHCFNNY-CQSZACIVSA-N 1 1 302.378 3.302 20 5 DGBDMO CC[C@H](c1ccccc1)[N@@H+](CC)Cc1c([N+](=O)[O-])ncn1C ZINC000355540655 266109002 /nfs/dbraw/zinc/10/90/02/266109002.db2.gz GXJXQKSDHCFNNY-CQSZACIVSA-N 1 1 302.378 3.302 20 5 DGBDMO Cc1ccc([N+](=O)[O-])cc1[C@H](C)[N@@H+](C)CCCn1ccnc1 ZINC000182970493 432247728 /nfs/dbraw/zinc/24/77/28/432247728.db2.gz AFKYWZZEMMEIAI-AWEZNQCLSA-N 1 1 302.378 3.183 20 5 DGBDMO Cc1c([C@@H](C)[NH2+][C@@H]2CCCc3cn[nH]c32)cccc1[N+](=O)[O-] ZINC000370051344 271337559 /nfs/dbraw/zinc/33/75/59/271337559.db2.gz VZEKPPBGYILIBH-BXUZGUMPSA-N 1 1 300.362 3.355 20 5 DGBDMO Cc1c([C@@H](C)[NH2+][C@@H]2CCCc3c[nH]nc32)cccc1[N+](=O)[O-] ZINC000370051344 271337561 /nfs/dbraw/zinc/33/75/61/271337561.db2.gz VZEKPPBGYILIBH-BXUZGUMPSA-N 1 1 300.362 3.355 20 5 DGBDMO Cc1c([C@H](C)[NH2+][C@@H]2CCCc3cn[nH]c32)cccc1[N+](=O)[O-] ZINC000370051347 271337734 /nfs/dbraw/zinc/33/77/34/271337734.db2.gz VZEKPPBGYILIBH-SMDDNHRTSA-N 1 1 300.362 3.355 20 5 DGBDMO Cc1c([C@H](C)[NH2+][C@@H]2CCCc3c[nH]nc32)cccc1[N+](=O)[O-] ZINC000370051347 271337735 /nfs/dbraw/zinc/33/77/35/271337735.db2.gz VZEKPPBGYILIBH-SMDDNHRTSA-N 1 1 300.362 3.355 20 5 DGBDMO C[C@@H](C[NH+]1CCCCC1)N[C@H]1CCCc2ccc([N+](=O)[O-])cc21 ZINC000447529746 274217637 /nfs/dbraw/zinc/21/76/37/274217637.db2.gz MLPCUTBJPWVJEG-KSSFIOAISA-N 1 1 317.433 3.436 20 5 DGBDMO C[C@@H]([NH2+]Cc1ccc([N+](=O)[O-])cc1)c1nc2ccccc2n1C ZINC000126048168 274252397 /nfs/dbraw/zinc/25/23/97/274252397.db2.gz RQYMASZIZIYCAS-GFCCVEGCSA-N 1 1 310.357 3.332 20 5 DGBDMO C[C@@H]1C[N@@H+](C)CC[C@H]1N(C)Cc1cc([N+](=O)[O-])ccc1Cl ZINC000275065229 274335244 /nfs/dbraw/zinc/33/52/44/274335244.db2.gz JMIQSDMJZUBISM-IAQYHMDHSA-N 1 1 311.813 3.020 20 5 DGBDMO O=[N+]([O-])c1ccc([C@@H]2CCC[N@@H+](CCOCC(F)F)C2)cc1 ZINC000451544349 275037372 /nfs/dbraw/zinc/03/73/72/275037372.db2.gz DXXVUDNQAHEHFD-CYBMUJFWSA-N 1 1 314.332 3.056 20 5 DGBDMO O=[N+]([O-])c1ccc2c(c1)[C@H]([N@H+]1CCC[C@@]3(CCOC3)C1)CCC2 ZINC000453357970 275038139 /nfs/dbraw/zinc/03/81/39/275038139.db2.gz JNBXEWVHYLWSSG-QZTJIDSGSA-N 1 1 316.401 3.475 20 5 DGBDMO O=[N+]([O-])c1ccc2c(c1)[C@@H]([NH2+][C@H]1CCCc3c[nH]nc31)CCC2 ZINC000278639240 275038161 /nfs/dbraw/zinc/03/81/61/275038161.db2.gz HJWGVRKQMMOZIQ-HOTGVXAUSA-N 1 1 312.373 3.363 20 5 DGBDMO O=[N+]([O-])c1ccc2ccnc(N[C@H]3CC[N@H+]4CCCC[C@@H]34)c2c1 ZINC000413067684 275038863 /nfs/dbraw/zinc/03/88/63/275038863.db2.gz WWSMSLOFSCXFMB-HOTGVXAUSA-N 1 1 312.373 3.182 20 5 DGBDMO O=[N+]([O-])c1cccc(Cl)c1C[N@H+]1CCC[C@H]2COCC[C@@H]21 ZINC000493332962 275039474 /nfs/dbraw/zinc/03/94/74/275039474.db2.gz DONHXGNXGNEXCE-FZMZJTMJSA-N 1 1 310.781 3.249 20 5 DGBDMO CCC[C@]1(CO)CCC[N@H+]1Cc1ccc(Cl)cc1[N+](=O)[O-] ZINC000331301664 276053520 /nfs/dbraw/zinc/05/35/20/276053520.db2.gz ROBYIOOWUWSDLL-OAHLLOKOSA-N 1 1 312.797 3.375 20 5 DGBDMO CC[N@H+]1C[C@H](C)N(Cc2c(Cl)cccc2[N+](=O)[O-])C[C@@H]1C ZINC000491975639 276250130 /nfs/dbraw/zinc/25/01/30/276250130.db2.gz DTNCNZQZELBEPJ-RYUDHWBXSA-N 1 1 311.813 3.163 20 5 DGBDMO C[N@H+]1CCC[C@@H]2CN(c3ccc(Cl)cc3[N+](=O)[O-])CC[C@H]21 ZINC000301720425 277070150 /nfs/dbraw/zinc/07/01/50/277070150.db2.gz PVGRJBSMJFNPFU-DGCLKSJQSA-N 1 1 309.797 3.169 20 5 DGBDMO C[C@@H](CN[C@@H]1CCCCc2ccc([N+](=O)[O-])cc21)C[NH+](C)C ZINC000417353446 278285075 /nfs/dbraw/zinc/28/50/75/278285075.db2.gz XHALQHYSTOLBJT-SUMWQHHRSA-N 1 1 305.422 3.150 20 5 DGBDMO CCC[C@@H](NC[C@]1(C)CCC[NH2+]C1)c1cccc([N+](=O)[O-])c1 ZINC000423321535 278872349 /nfs/dbraw/zinc/87/23/49/278872349.db2.gz GIEZEOCQKDOGLW-IAGOWNOFSA-N 1 1 305.422 3.415 20 5 DGBDMO CCCO[C@H]1CCC[N@@H+](CCOc2cccc([N+](=O)[O-])c2)CC1 ZINC000108392858 431137539 /nfs/dbraw/zinc/13/75/39/431137539.db2.gz YOMLKEQEMLHEBC-INIZCTEOSA-N 1 1 322.405 3.255 20 5 DGBDMO CCCO[C@H]1CCC[N@@H+](Cc2cc([N+](=O)[O-])ccc2OC)CC1 ZINC000108394730 431140748 /nfs/dbraw/zinc/14/07/48/431140748.db2.gz ZBOCPZFWIXPNGK-INIZCTEOSA-N 1 1 322.405 3.385 20 5 DGBDMO CCCO[C@H]1CCC[N@@H+](Cc2ccc(OC)c([N+](=O)[O-])c2)CC1 ZINC000108397962 431139354 /nfs/dbraw/zinc/13/93/54/431139354.db2.gz SIEUNRCBMJBBLH-HNNXBMFYSA-N 1 1 322.405 3.385 20 5 DGBDMO C[C@H]1CCC[N@@H+](Cc2cc([N+](=O)[O-])cc3c2OCOC3)CC1 ZINC000068837992 431143225 /nfs/dbraw/zinc/14/32/25/431143225.db2.gz VYKAVPRQPFSGRU-LBPRGKRZSA-N 1 1 306.362 3.083 20 5 DGBDMO CC[N@@H+](CCNc1ccc2ncccc2c1[N+](=O)[O-])C1CC1 ZINC000112079367 431246346 /nfs/dbraw/zinc/24/63/46/431246346.db2.gz PNRGIFSGFIVLPI-UHFFFAOYSA-N 1 1 300.362 3.039 20 5 DGBDMO CC(C)[N@@H+](Cc1nnc(-c2ccc([N+](=O)[O-])cc2)o1)C1CCC1 ZINC000072685699 431347977 /nfs/dbraw/zinc/34/79/77/431347977.db2.gz DSLVICSQDCBRRB-UHFFFAOYSA-N 1 1 316.361 3.408 20 5 DGBDMO CC(C)C[N@@H+](Cc1nnc(-c2ccc([N+](=O)[O-])cc2)o1)C1CC1 ZINC000076611833 431559928 /nfs/dbraw/zinc/55/99/28/431559928.db2.gz BYTULGPPVIGVCW-UHFFFAOYSA-N 1 1 316.361 3.265 20 5 DGBDMO O=[N+]([O-])c1cc(F)ccc1N1CC[C@H]2[C@@H](CCC[N@H+]2C2CC2)C1 ZINC000269408795 280360328 /nfs/dbraw/zinc/36/03/28/280360328.db2.gz IOUYHBAJYXAWSP-WFASDCNBSA-N 1 1 319.380 3.187 20 5 DGBDMO Cc1ccc([N+](=O)[O-])cc1NC(=O)C[N@H+](C(C)C)C1CCC1 ZINC000077357529 431587286 /nfs/dbraw/zinc/58/72/86/431587286.db2.gz BYLUCNXKELXCQV-UHFFFAOYSA-N 1 1 305.378 3.105 20 5 DGBDMO CC(C)[N@@H+](Cc1nc(-c2cccc([N+](=O)[O-])c2)no1)C1CCC1 ZINC000077358377 431588089 /nfs/dbraw/zinc/58/80/89/431588089.db2.gz QNAUEZYODREGOP-UHFFFAOYSA-N 1 1 316.361 3.408 20 5 DGBDMO CC[C@H]1CCC[N@@H+](Cc2cc([N+](=O)[O-])cc3c2OCOC3)C1 ZINC000030142364 431733275 /nfs/dbraw/zinc/73/32/75/431733275.db2.gz RYRFJSFPQGTPRG-LBPRGKRZSA-N 1 1 306.362 3.083 20 5 DGBDMO O=C(C[N@@H+]1CCC2(CCC2)C1)Nc1ccc(Cl)cc1[N+](=O)[O-] ZINC000123658804 431870559 /nfs/dbraw/zinc/87/05/59/431870559.db2.gz DAPYEJQTWOUBMQ-UHFFFAOYSA-N 1 1 323.780 3.063 20 5 DGBDMO O=C(C[N@H+]1CCC2(CCC2)C1)Nc1ccc(Cl)cc1[N+](=O)[O-] ZINC000123658804 431870560 /nfs/dbraw/zinc/87/05/60/431870560.db2.gz DAPYEJQTWOUBMQ-UHFFFAOYSA-N 1 1 323.780 3.063 20 5 DGBDMO C[C@H](O)C[C@H]1CCCC[N@H+]1Cc1cc(Cl)ccc1[N+](=O)[O-] ZINC000123757935 431874141 /nfs/dbraw/zinc/87/41/41/431874141.db2.gz HQDNNKDBVVZPJO-SMDDNHRTSA-N 1 1 312.797 3.374 20 5 DGBDMO C[N@@H+](Cc1coc(-c2ccc([N+](=O)[O-])cc2)n1)[C@H]1CCSC1 ZINC000089935687 431886678 /nfs/dbraw/zinc/88/66/78/431886678.db2.gz SLEPKBJYJNSHLT-AWEZNQCLSA-N 1 1 319.386 3.187 20 5 DGBDMO C[C@H](O)CC[N@@H+](C)Cc1ccc(-c2cccc([N+](=O)[O-])c2)o1 ZINC000127678645 431978433 /nfs/dbraw/zinc/97/84/33/431978433.db2.gz OXFIBGPOBCEPFQ-LBPRGKRZSA-N 1 1 304.346 3.058 20 5 DGBDMO CC(C)[N@@H+](CCOc1ccccc1[N+](=O)[O-])Cc1cccnc1 ZINC000125668153 431932956 /nfs/dbraw/zinc/93/29/56/431932956.db2.gz ZBECCEFJFMDIKP-UHFFFAOYSA-N 1 1 315.373 3.279 20 5 DGBDMO COc1cc(C[N@@H+](C)Cc2ccc(C)c([N+](=O)[O-])c2)ccc1O ZINC000125960442 431939480 /nfs/dbraw/zinc/93/94/80/431939480.db2.gz GAJKXGUXHLLTPP-UHFFFAOYSA-N 1 1 316.357 3.249 20 5 DGBDMO CC(C)[N@@H+](C)CCNc1ccc(C(F)(F)F)cc1[N+](=O)[O-] ZINC000054128476 431967684 /nfs/dbraw/zinc/96/76/84/431967684.db2.gz MATNMHJCRBNGJW-UHFFFAOYSA-N 1 1 305.300 3.366 20 5 DGBDMO Cc1ccc([N+](=O)[O-])cc1[C@H](C)N1CC[C@]2(C1)CCC[N@@H+](C)C2 ZINC000292846620 281022716 /nfs/dbraw/zinc/02/27/16/281022716.db2.gz BNPHMHWQIHRJRJ-MAUKXSAKSA-N 1 1 317.433 3.382 20 5 DGBDMO Cc1ccc([N+](=O)[O-])cc1[C@H](C)[N@@H+]1CC[C@]2(C1)CCCN(C)C2 ZINC000292846620 281022717 /nfs/dbraw/zinc/02/27/17/281022717.db2.gz BNPHMHWQIHRJRJ-MAUKXSAKSA-N 1 1 317.433 3.382 20 5 DGBDMO Cc1ccc([N+](=O)[O-])cc1[C@H](C)[N@H+]1CC[C@]2(C1)CCCN(C)C2 ZINC000292846620 281022718 /nfs/dbraw/zinc/02/27/18/281022718.db2.gz BNPHMHWQIHRJRJ-MAUKXSAKSA-N 1 1 317.433 3.382 20 5 DGBDMO C[C@@H]1C[N@H+]2CCCC[C@@H]2CN1Cc1c(Cl)cccc1[N+](=O)[O-] ZINC000493060035 288294433 /nfs/dbraw/zinc/29/44/33/288294433.db2.gz VMAGYPQPYDQZNG-CHWSQXEVSA-N 1 1 323.824 3.307 20 5 DGBDMO Cc1cccc(N2CCC[C@H](Cc3[nH+]ccn3C)C2)c1[N+](=O)[O-] ZINC000302522708 281226613 /nfs/dbraw/zinc/22/66/13/281226613.db2.gz YLKBZIOGOPNIAR-CQSZACIVSA-N 1 1 314.389 3.096 20 5 DGBDMO C[C@H](CN[C@@H](C)c1cccc([N+](=O)[O-])c1)[NH+]1CCC(C)CC1 ZINC000173363394 432273388 /nfs/dbraw/zinc/27/33/88/432273388.db2.gz AXWJNLZZKHKKOM-CABCVRRESA-N 1 1 305.422 3.366 20 5 DGBDMO CCC1(CO)CC[NH+](Cc2cc(Cl)ccc2[N+](=O)[O-])CC1 ZINC000270720783 432282199 /nfs/dbraw/zinc/28/21/99/432282199.db2.gz DJRQWJHEFQBYFW-UHFFFAOYSA-N 1 1 312.797 3.233 20 5 DGBDMO CC[C@@H](CN[C@H](C)c1ccc(C)c([N+](=O)[O-])c1)[NH+]1CCCC1 ZINC000151677970 432266037 /nfs/dbraw/zinc/26/60/37/432266037.db2.gz OCSVVHXOPSKDBI-ZBFHGGJFSA-N 1 1 305.422 3.428 20 5 DGBDMO CC[C@@H](CN[C@H](C)c1cc([N+](=O)[O-])ccc1C)[NH+]1CCCC1 ZINC000151686653 432266376 /nfs/dbraw/zinc/26/63/76/432266376.db2.gz AYAXTBXKZNGBMY-CABCVRRESA-N 1 1 305.422 3.428 20 5 DGBDMO CC(C)[N@@H+]1C[C@@H](C)[C@@H](N[C@H]2CCCc3ccc([N+](=O)[O-])cc32)C1 ZINC000248829331 432321935 /nfs/dbraw/zinc/32/19/35/432321935.db2.gz GZXPFINDAJCZQM-BVGQSLNGSA-N 1 1 317.433 3.291 20 5 DGBDMO CC(C)[N@H+]1C[C@@H](C)[C@@H](N[C@H]2CCCc3ccc([N+](=O)[O-])cc32)C1 ZINC000248829331 432321939 /nfs/dbraw/zinc/32/19/39/432321939.db2.gz GZXPFINDAJCZQM-BVGQSLNGSA-N 1 1 317.433 3.291 20 5 DGBDMO O=[N+]([O-])c1ccc(-c2ccc(C[N@@H+]3CC[C@@H](O)C3)o2)c(Cl)c1 ZINC000271049367 432322526 /nfs/dbraw/zinc/32/25/26/432322526.db2.gz UPJYRRXZVJWIOW-LLVKDONJSA-N 1 1 322.748 3.075 20 5 DGBDMO Cc1ccc([N+](=O)[O-])cc1[C@H](C)NC[C@H]1CC[N@@H+](C2CC2)C1 ZINC000152427171 432333056 /nfs/dbraw/zinc/33/30/56/432333056.db2.gz SQRNRFVDWRUYIO-UONOGXRCSA-N 1 1 303.406 3.038 20 5 DGBDMO Cc1ccc([N+](=O)[O-])cc1[C@H](C)NC[C@H]1CC[N@H+](C2CC2)C1 ZINC000152427171 432333060 /nfs/dbraw/zinc/33/30/60/432333060.db2.gz SQRNRFVDWRUYIO-UONOGXRCSA-N 1 1 303.406 3.038 20 5 DGBDMO COc1ccc(C[N@@H+](C)C[C@@H](C)c2nccs2)cc1[N+](=O)[O-] ZINC000183921413 432334847 /nfs/dbraw/zinc/33/48/47/432334847.db2.gz OVPYLWYDJVVZRT-LLVKDONJSA-N 1 1 321.402 3.295 20 5 DGBDMO CC[C@H]1C[N@@H+](Cc2cc(=O)oc3ccc4ccccc4c23)C[C@H]1O ZINC000270932696 432305486 /nfs/dbraw/zinc/30/54/86/432305486.db2.gz QJTLJEOQOUCSGF-SUMWQHHRSA-N 1 1 323.392 3.149 20 5 DGBDMO C[C@@H]1CCCC[C@H]1[N@@H+](C)CC(=O)Nc1ccccc1[N+](=O)[O-] ZINC000192623297 432393264 /nfs/dbraw/zinc/39/32/64/432393264.db2.gz LVIVOVSUQTXHAI-TZMCWYRMSA-N 1 1 305.378 3.044 20 5 DGBDMO Cc1ccc([N+](=O)[O-])cc1NC(=O)C[N@H+](C)[C@H]1CCCC[C@@H]1C ZINC000192623578 432393804 /nfs/dbraw/zinc/39/38/04/432393804.db2.gz GGUVLHFIKGZQGA-BBRMVZONSA-N 1 1 319.405 3.352 20 5 DGBDMO C[C@@H]1C[N@@H+](C)[C@@H](C)C[C@@H]1NCc1cc([N+](=O)[O-])ccc1Cl ZINC000271525470 432414469 /nfs/dbraw/zinc/41/44/69/432414469.db2.gz RCHAAZAQDUSULM-ZETOZRRWSA-N 1 1 311.813 3.067 20 5 DGBDMO CCCc1[nH+]ccn1CC(=O)Nc1ccc([N+](=O)[O-])cc1Cl ZINC000153518718 432417758 /nfs/dbraw/zinc/41/77/58/432417758.db2.gz RAULJIVHAPDJEQ-UHFFFAOYSA-N 1 1 322.752 3.036 20 5 DGBDMO C[N@@H+](CCc1ccncc1)Cc1cc(Cl)ccc1[N+](=O)[O-] ZINC000272327550 432482242 /nfs/dbraw/zinc/48/22/42/432482242.db2.gz CUBWPLUQSUOOKT-UHFFFAOYSA-N 1 1 305.765 3.318 20 5 DGBDMO COc1cccc2c1CC[N@@H+](Cc1cccc([N+](=O)[O-])c1)CC2 ZINC000193720941 432493231 /nfs/dbraw/zinc/49/32/31/432493231.db2.gz OGWMJWAUKZRNTR-UHFFFAOYSA-N 1 1 312.369 3.204 20 5 DGBDMO C[N@@H+](CCn1ccc([N+](=O)[O-])n1)Cc1csc2ccccc12 ZINC000176209659 432501908 /nfs/dbraw/zinc/50/19/08/432501908.db2.gz CDLIQTCOBZLJED-UHFFFAOYSA-N 1 1 316.386 3.138 20 5 DGBDMO Cc1cccc([C@@H]2CCC[N@H+]2CCn2ccc([N+](=O)[O-])n2)c1C ZINC000176261834 432505197 /nfs/dbraw/zinc/50/51/97/432505197.db2.gz DDQWLFADYPIAFL-INIZCTEOSA-N 1 1 314.389 3.245 20 5 DGBDMO O=[N+]([O-])c1ccc(C[NH2+][C@H](CCO)c2ccccc2)c(Cl)c1 ZINC000273102108 432551621 /nfs/dbraw/zinc/55/16/21/432551621.db2.gz OUMQBAKMBUQMIA-MRXNPFEDSA-N 1 1 320.776 3.462 20 5 DGBDMO COc1ccc([N+](=O)[O-])cc1C[N@@H+]1CC[C@@H](OCCC(C)C)C1 ZINC000177390697 432618546 /nfs/dbraw/zinc/61/85/46/432618546.db2.gz NRBREISSBMYTKX-MRXNPFEDSA-N 1 1 322.405 3.240 20 5 DGBDMO COc1ccc([N+](=O)[O-])cc1C[N@H+]1CC[C@@H](OCCC(C)C)C1 ZINC000177390697 432618552 /nfs/dbraw/zinc/61/85/52/432618552.db2.gz NRBREISSBMYTKX-MRXNPFEDSA-N 1 1 322.405 3.240 20 5 DGBDMO CCOc1ccc(NC(=O)C[N@@H+](C)C(C)(C)CC)c([N+](=O)[O-])c1 ZINC000265161542 432669675 /nfs/dbraw/zinc/66/96/75/432669675.db2.gz BTMZQTFZBSOXSX-UHFFFAOYSA-N 1 1 323.393 3.052 20 5 DGBDMO CCCC[N@@H+](C)CC1CCN(c2nccc(C)c2[N+](=O)[O-])CC1 ZINC000265153778 432670038 /nfs/dbraw/zinc/67/00/38/432670038.db2.gz CBKYFQQUHAXCBI-UHFFFAOYSA-N 1 1 320.437 3.247 20 5 DGBDMO C[C@H](c1ccccc1[N+](=O)[O-])[N@H+]1CCSC2(CCOCC2)C1 ZINC000274482188 432674246 /nfs/dbraw/zinc/67/42/46/432674246.db2.gz FOFMWTYSLLFTTI-CYBMUJFWSA-N 1 1 322.430 3.254 20 5 DGBDMO CCC[N@@H+](CCO)Cc1ccc(-c2cccc([N+](=O)[O-])c2)o1 ZINC000161218418 432766365 /nfs/dbraw/zinc/76/63/65/432766365.db2.gz KCOLBZUZZUHKEV-UHFFFAOYSA-N 1 1 304.346 3.059 20 5 DGBDMO CCC1(O)CC[NH+](Cc2cc([N+](=O)[O-])ccc2OC(C)C)CC1 ZINC000266570326 432766718 /nfs/dbraw/zinc/76/67/18/432766718.db2.gz CUYIJZWJRBBYIQ-UHFFFAOYSA-N 1 1 322.405 3.119 20 5 DGBDMO Cc1cc([N+](=O)[O-])ccc1NC(=O)C[N@H+](C)[C@@H]1CCCC[C@H]1C ZINC000245465377 432834499 /nfs/dbraw/zinc/83/44/99/432834499.db2.gz YKKDOZOJUIXEIA-MLGOLLRUSA-N 1 1 319.405 3.352 20 5 DGBDMO C[C@H](c1ccccc1)[N@@H+](CCn1cc([N+](=O)[O-])cn1)C1CC1 ZINC000266912139 432798268 /nfs/dbraw/zinc/79/82/68/432798268.db2.gz LTJCBFDCGCBGDQ-CYBMUJFWSA-N 1 1 300.362 3.017 20 5 DGBDMO O=[N+]([O-])c1ccc(C[N@@H+]2CCC[C@H]2c2ccncc2)cc1F ZINC000276327699 432798952 /nfs/dbraw/zinc/79/89/52/432798952.db2.gz QHVHYYSOVBFOOZ-HNNXBMFYSA-N 1 1 301.321 3.466 20 5 DGBDMO O=[N+]([O-])c1ccc(C[N@H+]2CCC[C@H]2c2ccncc2)cc1F ZINC000276327699 432798956 /nfs/dbraw/zinc/79/89/56/432798956.db2.gz QHVHYYSOVBFOOZ-HNNXBMFYSA-N 1 1 301.321 3.466 20 5 DGBDMO CCOC(=O)[C@H]1CCC[N@H+]([C@H](C)c2cc([N+](=O)[O-])ccc2C)C1 ZINC000245519779 432838717 /nfs/dbraw/zinc/83/87/17/432838717.db2.gz IZPIDMKXJSOUHR-KGLIPLIRSA-N 1 1 320.389 3.239 20 5 DGBDMO C[N@H+](Cc1cc(Cl)ccc1[N+](=O)[O-])[C@H](CO)c1ccccc1 ZINC000267001185 432806031 /nfs/dbraw/zinc/80/60/31/432806031.db2.gz CXPFZYZZPGANFL-MRXNPFEDSA-N 1 1 320.776 3.414 20 5 DGBDMO C[N@@H+](Cc1cc(Cl)ccc1[N+](=O)[O-])[C@H](CO)c1ccccc1 ZINC000267001185 432806032 /nfs/dbraw/zinc/80/60/32/432806032.db2.gz CXPFZYZZPGANFL-MRXNPFEDSA-N 1 1 320.776 3.414 20 5 DGBDMO Cc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@@H+]1CC[C@@H](C)[C@@H](C)C1 ZINC000245924232 432870399 /nfs/dbraw/zinc/87/03/99/432870399.db2.gz OIOBQHAEDUTMBB-OCCSQVGLSA-N 1 1 319.405 3.210 20 5 DGBDMO CC[NH+]1CCC(N[C@H]2CCCc3ccc([N+](=O)[O-])cc32)CC1 ZINC000278295821 432890649 /nfs/dbraw/zinc/89/06/49/432890649.db2.gz RIYIBVTZLXOZPW-KRWDZBQOSA-N 1 1 303.406 3.046 20 5 DGBDMO C[C@H]1C[N@H+](Cc2ccc(-c3ccccc3[N+](=O)[O-])o2)[C@@H](C)CO1 ZINC000245544828 432841298 /nfs/dbraw/zinc/84/12/98/432841298.db2.gz SPLOMQICKMIYIM-STQMWFEESA-N 1 1 316.357 3.464 20 5 DGBDMO C[C@H]1C[N@@H+](Cc2ccc(-c3ccccc3[N+](=O)[O-])o2)[C@@H](C)CO1 ZINC000245544828 432841301 /nfs/dbraw/zinc/84/13/01/432841301.db2.gz SPLOMQICKMIYIM-STQMWFEESA-N 1 1 316.357 3.464 20 5 DGBDMO Cc1cccc([N+](=O)[O-])c1NC(=O)C[N@H+](C)[C@@H]1CCCC[C@H]1C ZINC000330657433 432922986 /nfs/dbraw/zinc/92/29/86/432922986.db2.gz OIHQQEUHFMMHGH-TZMCWYRMSA-N 1 1 319.405 3.352 20 5 DGBDMO C[NH+]1CCC(N[C@H]2CC(C)(C)c3ccc([N+](=O)[O-])cc32)CC1 ZINC000279044317 432929300 /nfs/dbraw/zinc/92/93/00/432929300.db2.gz JOJJUCOEBRZIEJ-INIZCTEOSA-N 1 1 303.406 3.001 20 5 DGBDMO C[N@@H+](CCc1ccccc1[N+](=O)[O-])Cc1cnn(C(C)(C)C)c1 ZINC000289309254 432944093 /nfs/dbraw/zinc/94/40/93/432944093.db2.gz DNRKCSHNFHJMCV-UHFFFAOYSA-N 1 1 316.405 3.221 20 5 DGBDMO O=C(CC[N@H+]1CCC[C@H]2CCC[C@H]21)Nc1ccc([N+](=O)[O-])cc1 ZINC000331518162 432947035 /nfs/dbraw/zinc/94/70/35/432947035.db2.gz FRTOJCHOCYJHBQ-CZUORRHYSA-N 1 1 317.389 3.188 20 5 DGBDMO CC(C)(C)[C@@H]1CCC[N@H+]1Cc1nc2cc([N+](=O)[O-])ccc2[nH]1 ZINC000331559027 432948437 /nfs/dbraw/zinc/94/84/37/432948437.db2.gz USTFBANYAIPHNP-AWEZNQCLSA-N 1 1 302.378 3.482 20 5 DGBDMO CCC(CC)[N@@H+](CC)CC(=O)Nc1ccc([N+](=O)[O-])cc1OC ZINC000289517976 432966904 /nfs/dbraw/zinc/96/69/04/432966904.db2.gz VLERPJUMKRFFFQ-UHFFFAOYSA-N 1 1 323.393 3.052 20 5 DGBDMO C[C@@H]1CC(C)(C)C[N@H+]1Cc1cc([N+](=O)[O-])cc2c1OCOC2 ZINC000332045658 432968757 /nfs/dbraw/zinc/96/87/57/432968757.db2.gz LPUXUZKZPXJZOJ-LLVKDONJSA-N 1 1 306.362 3.082 20 5 DGBDMO COCC[C@H]1CCCC[N@@H+](Cc2ccc([N+](=O)[O-])cc2F)C1 ZINC000332372728 433002336 /nfs/dbraw/zinc/00/23/36/433002336.db2.gz XGBGNTWTBKHUNK-CYBMUJFWSA-N 1 1 310.369 3.373 20 5 DGBDMO C[C@H]1C[N@@H+](Cc2cc([N+](=O)[O-])cc3c2OCOC3)CC(C)(C)C1 ZINC000332253561 432991878 /nfs/dbraw/zinc/99/18/78/432991878.db2.gz YHDAQSFUWLUVCX-GFCCVEGCSA-N 1 1 320.389 3.329 20 5 DGBDMO O=[N+]([O-])c1cc(Cl)ccc1C[NH2+][C@H](CCO)c1ccccc1 ZINC000341221016 432996824 /nfs/dbraw/zinc/99/68/24/432996824.db2.gz OPLRKIVTEKUHDI-OAHLLOKOSA-N 1 1 320.776 3.462 20 5 DGBDMO CN(C)C[C@H]([NH2+]Cc1ccc([N+](=O)[O-])cc1)c1ccc(F)cc1 ZINC000290195487 433010622 /nfs/dbraw/zinc/01/06/22/433010622.db2.gz UAXBFZXHYFLUEC-KRWDZBQOSA-N 1 1 317.364 3.126 20 5 DGBDMO Cc1cc([N+](=O)[O-])ccc1N1CCC[C@@H](c2[nH+]ccn2C)C1 ZINC000373055669 433081626 /nfs/dbraw/zinc/08/16/26/433081626.db2.gz FXPZSRSYQIORCR-CYBMUJFWSA-N 1 1 300.362 3.021 20 5 DGBDMO CC(C)CC[C@H](O)C[N@@H+](Cc1cccc([N+](=O)[O-])c1)C1CC1 ZINC000361290685 433085924 /nfs/dbraw/zinc/08/59/24/433085924.db2.gz ZHYHCLOZVIDQSR-KRWDZBQOSA-N 1 1 306.406 3.356 20 5 DGBDMO CCC[C@H](C)[N@@H+](C)Cc1nnc(-c2ccc([N+](=O)[O-])cc2)o1 ZINC000298419161 433130679 /nfs/dbraw/zinc/13/06/79/433130679.db2.gz KXFGHFGREGQYIC-NSHDSACASA-N 1 1 304.350 3.265 20 5 DGBDMO CCC[C@@H](C)[N@@H+](C)Cc1nc(-c2cccc([N+](=O)[O-])c2)no1 ZINC000298430555 433136474 /nfs/dbraw/zinc/13/64/74/433136474.db2.gz NQIVVVQCTUDWQI-LLVKDONJSA-N 1 1 304.350 3.265 20 5 DGBDMO O=[N+]([O-])c1cc(Cl)ccc1CN1CCC[C@H]([C@@H]2CC[NH2+]C2)C1 ZINC000420322430 433165006 /nfs/dbraw/zinc/16/50/06/433165006.db2.gz FCYVHTWCIBPEDQ-OLZOCXBDSA-N 1 1 323.824 3.070 20 5 DGBDMO Cc1cnn([C@H]2CC[N@@H+](C/C=C/c3ccccc3[N+](=O)[O-])C2)c1 ZINC000290795312 433169809 /nfs/dbraw/zinc/16/98/09/433169809.db2.gz DWUXUOXUFGJKNP-NBUZRDOWSA-N 1 1 312.373 3.060 20 5 DGBDMO CC[N@@H+](CCC(=O)Nc1cccc([N+](=O)[O-])c1C)CC1CCC1 ZINC000361481387 433196867 /nfs/dbraw/zinc/19/68/67/433196867.db2.gz MHQNTCLXDZNMDH-UHFFFAOYSA-N 1 1 319.405 3.354 20 5 DGBDMO CCN(CC)C[C@H](C)[NH2+][C@H]1CCCc2ccc([N+](=O)[O-])cc21 ZINC000447534888 433219470 /nfs/dbraw/zinc/21/94/70/433219470.db2.gz AQWJZQDFSMKWOF-GUYCJALGSA-N 1 1 305.422 3.292 20 5 DGBDMO CC[C@H](c1ccccc1)[N@@H+](CC)CCn1cc([N+](=O)[O-])cn1 ZINC000350703781 433258708 /nfs/dbraw/zinc/25/87/08/433258708.db2.gz VCIIGMCIHUTNAG-MRXNPFEDSA-N 1 1 302.378 3.265 20 5 DGBDMO Cn1nccc1[C@H]1CCCC[N@@H+]1Cc1ccc([N+](=O)[O-])cc1 ZINC000281237432 433275858 /nfs/dbraw/zinc/27/58/58/433275858.db2.gz LNLMSSCFDKSSAJ-MRXNPFEDSA-N 1 1 300.362 3.056 20 5 DGBDMO Cn1nccc1[C@H]1CCCC[N@H+]1Cc1ccc([N+](=O)[O-])cc1 ZINC000281237432 433275862 /nfs/dbraw/zinc/27/58/62/433275862.db2.gz LNLMSSCFDKSSAJ-MRXNPFEDSA-N 1 1 300.362 3.056 20 5 DGBDMO CC(C)(C)[C@@H]1C[N@@H+](CCCOc2ccc([N+](=O)[O-])cc2)CCO1 ZINC000447830808 433295022 /nfs/dbraw/zinc/29/50/22/433295022.db2.gz LNEXJRZJEIZEEQ-INIZCTEOSA-N 1 1 322.405 3.111 20 5 DGBDMO C[N@@H+](CCCO)Cc1ccc(-c2ccc([N+](=O)[O-])cc2Cl)o1 ZINC000281672168 433344274 /nfs/dbraw/zinc/34/42/74/433344274.db2.gz DLWDZVLAXOSNSH-UHFFFAOYSA-N 1 1 324.764 3.322 20 5 DGBDMO C[C@H]1[C@@H](CO)CC[N@H+]1Cc1ccc(-c2cccc([N+](=O)[O-])c2)o1 ZINC000425988655 433396862 /nfs/dbraw/zinc/39/68/62/433396862.db2.gz ORJATKFXVZPLGF-GXTWGEPZSA-N 1 1 316.357 3.058 20 5 DGBDMO CC[N@H+]1CCC[C@@H]1CNc1ccc([N+](=O)[O-])c2cccnc12 ZINC000301092559 433408389 /nfs/dbraw/zinc/40/83/89/433408389.db2.gz UCFFBWPPVONDJK-GFCCVEGCSA-N 1 1 300.362 3.039 20 5 DGBDMO O=[N+]([O-])c1cc(Cl)ccc1C[N@@H+]1CCC[C@@H]1[C@@H]1CCCO1 ZINC000375348448 433438037 /nfs/dbraw/zinc/43/80/37/433438037.db2.gz IZKNXGSSOBUJGF-HIFRSBDPSA-N 1 1 310.781 3.392 20 5 DGBDMO O=[N+]([O-])c1cc(Cl)ccc1C[N@H+]1CCC[C@@H]1[C@@H]1CCCO1 ZINC000375348448 433438047 /nfs/dbraw/zinc/43/80/47/433438047.db2.gz IZKNXGSSOBUJGF-HIFRSBDPSA-N 1 1 310.781 3.392 20 5 DGBDMO Cc1cc([N+](=O)[O-])cnc1NCCCC[N@@H+]1CCC[C@H](C)C1 ZINC000301215429 433455039 /nfs/dbraw/zinc/45/50/39/433455039.db2.gz ZUUSJRTYSUNOKW-ZDUSSCGKSA-N 1 1 306.410 3.222 20 5 DGBDMO C[C@H](c1ccccc1[N+](=O)[O-])[N@H+]1CCC[C@@H]1[C@@H]1CCC[C@H]1O ZINC000451421933 290266808 /nfs/dbraw/zinc/26/68/08/290266808.db2.gz QRPMZYDADNHSES-DUFGSWQCSA-N 1 1 304.390 3.281 20 5 DGBDMO C[C@H](NC(=O)CC[N@H+]1CCCC[C@@H]1C)c1cccc([N+](=O)[O-])c1 ZINC000339264059 433475727 /nfs/dbraw/zinc/47/57/27/433475727.db2.gz JSYUMKPOGLLVGZ-KBPBESRZSA-N 1 1 319.405 3.037 20 5 DGBDMO Cc1ccnc(NCCCC[N@@H+]2CCCC[C@H]2C)c1[N+](=O)[O-] ZINC000301279598 433483842 /nfs/dbraw/zinc/48/38/42/433483842.db2.gz JPMSLNAMOIHZNZ-CQSZACIVSA-N 1 1 306.410 3.365 20 5 DGBDMO Cc1ccc(NCCCNc2cc(C)[nH+]c(C)n2)c([N+](=O)[O-])c1 ZINC000301376741 433529718 /nfs/dbraw/zinc/52/97/18/433529718.db2.gz WOCCPVMHQYXXOA-UHFFFAOYSA-N 1 1 315.377 3.224 20 5 DGBDMO Cc1ccnc(NCCCC[N@@H+]2CCC[C@H](C)C2)c1[N+](=O)[O-] ZINC000301300299 433496954 /nfs/dbraw/zinc/49/69/54/433496954.db2.gz QQSHFZJUGNZEQY-ZDUSSCGKSA-N 1 1 306.410 3.222 20 5 DGBDMO Cc1ccnc(NCC(C)(C)[N@H+]2CCC[C@H](C)C2)c1[N+](=O)[O-] ZINC000301306554 433496981 /nfs/dbraw/zinc/49/69/81/433496981.db2.gz VCSJIJGLTLHIPB-LBPRGKRZSA-N 1 1 306.410 3.221 20 5 DGBDMO Cc1cc(N[C@@H](C)C[N@@H+]2C[C@H](C)C[C@H](C)C2)ncc1[N+](=O)[O-] ZINC000301459855 433564989 /nfs/dbraw/zinc/56/49/89/433564989.db2.gz YDAIECYYFRUWFT-SCRDCRAPSA-N 1 1 306.410 3.077 20 5 DGBDMO CN(CC[N@@H+](C)C1CC1)c1ccc(C(F)(F)F)cc1[N+](=O)[O-] ZINC000351547295 433566055 /nfs/dbraw/zinc/56/60/55/433566055.db2.gz YBTNWIOXBGSRNX-UHFFFAOYSA-N 1 1 317.311 3.144 20 5 DGBDMO CCOc1cc(N[C@@H]2CC[N@H+](C3CCCC3)C2)ccc1[N+](=O)[O-] ZINC000301508332 433587863 /nfs/dbraw/zinc/58/78/63/433587863.db2.gz HQRBZMVPTUVNGV-CQSZACIVSA-N 1 1 319.405 3.422 20 5 DGBDMO O=[N+]([O-])c1ccccc1/C=C\C[N@@H+]1CCC[C@H](CCO)CC1 ZINC000421399041 433542183 /nfs/dbraw/zinc/54/21/83/433542183.db2.gz PHVHFCNORCGSEU-QZDDGCDVSA-N 1 1 304.390 3.093 20 5 DGBDMO C[C@H](c1ccccc1[N+](=O)[O-])N1CC[C@@]2(C1)CCC[N@@H+](C)C2 ZINC000292837378 433597237 /nfs/dbraw/zinc/59/72/37/433597237.db2.gz AYVOLCJXQKSVHM-PBHICJAKSA-N 1 1 303.406 3.074 20 5 DGBDMO CCC[N@H+](Cc1cc([N+](=O)[O-])cc2c1OCOC2)CC(C)C ZINC000351602055 433607302 /nfs/dbraw/zinc/60/73/02/433607302.db2.gz KGBFBTLUOXLSHX-UHFFFAOYSA-N 1 1 308.378 3.329 20 5 DGBDMO Cc1nc(N[C@@H](C)C[N@@H+]2C[C@H](C)C[C@H](C)C2)ccc1[N+](=O)[O-] ZINC000301663604 433663032 /nfs/dbraw/zinc/66/30/32/433663032.db2.gz VNTNRZPGJRQDIB-XQQFMLRXSA-N 1 1 306.410 3.077 20 5 DGBDMO CC[C@]1(C)CCC[N@@H+]([C@H](C)C(=O)Nc2ccccc2[N+](=O)[O-])C1 ZINC000362384442 433674252 /nfs/dbraw/zinc/67/42/52/433674252.db2.gz FRYMOGRQGOOXFN-CXAGYDPISA-N 1 1 319.405 3.434 20 5 DGBDMO CC[C@]1(C)CCC[N@H+]([C@H](C)C(=O)Nc2ccccc2[N+](=O)[O-])C1 ZINC000362384442 433674262 /nfs/dbraw/zinc/67/42/62/433674262.db2.gz FRYMOGRQGOOXFN-CXAGYDPISA-N 1 1 319.405 3.434 20 5 DGBDMO COc1ccc([N+](=O)[O-])cc1C[N@@H+]1CCS[C@H](C(C)C)C1 ZINC000362384396 433679001 /nfs/dbraw/zinc/67/90/01/433679001.db2.gz ZCWCUGFEPSEDSD-HNNXBMFYSA-N 1 1 310.419 3.177 20 5 DGBDMO COc1ccc([N+](=O)[O-])cc1C[N@H+]1CCS[C@H](C(C)C)C1 ZINC000362384396 433679011 /nfs/dbraw/zinc/67/90/11/433679011.db2.gz ZCWCUGFEPSEDSD-HNNXBMFYSA-N 1 1 310.419 3.177 20 5 DGBDMO O=[N+]([O-])c1ccccc1/C=C/C[N@H+]1C[C@H](O)C[C@@H]1c1ccccc1 ZINC000414485403 433652127 /nfs/dbraw/zinc/65/21/27/433652127.db2.gz LHERCCXUAIXWMI-LVJUENIKSA-N 1 1 324.380 3.416 20 5 DGBDMO C[C@@H](CNc1ncc(Cl)cc1[N+](=O)[O-])[N@H+]1CCC[C@H](C)C1 ZINC000301731534 433700386 /nfs/dbraw/zinc/70/03/86/433700386.db2.gz DWWHQXRVIKJLAG-QWRGUYRKSA-N 1 1 312.801 3.176 20 5 DGBDMO Cn1cnc([N+](=O)[O-])c1C[N@@H+]1CCC[C@H]1/C=C/c1ccccc1 ZINC000371631366 293218314 /nfs/dbraw/zinc/21/83/14/293218314.db2.gz CJHGGULEHTYJQL-FEAKQIBJSA-N 1 1 312.373 3.006 20 5 DGBDMO Cn1cnc([N+](=O)[O-])c1C[N@H+]1CCC[C@H]1/C=C/c1ccccc1 ZINC000371631366 293218316 /nfs/dbraw/zinc/21/83/16/293218316.db2.gz CJHGGULEHTYJQL-FEAKQIBJSA-N 1 1 312.373 3.006 20 5 DGBDMO C[N@@H+](CCC(=O)Nc1ccccc1[N+](=O)[O-])C1CCCCC1 ZINC000283398235 433716434 /nfs/dbraw/zinc/71/64/34/433716434.db2.gz FJKCUHLRJKYKRL-UHFFFAOYSA-N 1 1 305.378 3.188 20 5 DGBDMO O=[N+]([O-])c1ccccc1/C=C\C[NH2+]Cc1nnc(C2CC2)s1 ZINC000414553643 433720055 /nfs/dbraw/zinc/72/00/55/433720055.db2.gz IXQAOVZYAGKYBC-HYXAFXHYSA-N 1 1 316.386 3.127 20 5 DGBDMO O=C(CC[N@H+]1CC[C@H](CC2CC2)C1)Nc1ccccc1[N+](=O)[O-] ZINC000339680563 433722939 /nfs/dbraw/zinc/72/29/39/433722939.db2.gz WIHAFNDYAYSJDQ-CQSZACIVSA-N 1 1 317.389 3.045 20 5 DGBDMO CCn1nccc1C[N@H+](C)[C@H](C)c1cc([N+](=O)[O-])ccc1C ZINC000429727854 433781185 /nfs/dbraw/zinc/78/11/85/433781185.db2.gz VYDIOYRNMZAJPJ-CYBMUJFWSA-N 1 1 302.378 3.313 20 5 DGBDMO CCn1nccc1C[N@@H+](C)[C@H](C)c1cc([N+](=O)[O-])ccc1C ZINC000429727854 433781191 /nfs/dbraw/zinc/78/11/91/433781191.db2.gz VYDIOYRNMZAJPJ-CYBMUJFWSA-N 1 1 302.378 3.313 20 5 DGBDMO CC(C)c1ccc(C[N@H+]2CC[C@H](CCCO)C2)cc1[N+](=O)[O-] ZINC000449790586 433801790 /nfs/dbraw/zinc/80/17/90/433801790.db2.gz LMWQDLPIYCMKSL-AWEZNQCLSA-N 1 1 306.406 3.313 20 5 DGBDMO O=[N+]([O-])c1cc(C[N@@H+]2CC3(CCOCC3)[C@@H]2C2CC2)cs1 ZINC000293639405 433811251 /nfs/dbraw/zinc/81/12/51/433811251.db2.gz MCBOSYCQWJKHQO-AWEZNQCLSA-N 1 1 308.403 3.047 20 5 DGBDMO O=[N+]([O-])c1cc(C[N@H+]2CC3(CCOCC3)[C@@H]2C2CC2)cs1 ZINC000293639405 433811261 /nfs/dbraw/zinc/81/12/61/433811261.db2.gz MCBOSYCQWJKHQO-AWEZNQCLSA-N 1 1 308.403 3.047 20 5 DGBDMO C[N@H+]1CCC[C@]2(CCN(C/C=C/c3ccccc3[N+](=O)[O-])C2)C1 ZINC000293729675 433845271 /nfs/dbraw/zinc/84/52/71/433845271.db2.gz USJZSQOAKXUMLW-UKTKYZJWSA-N 1 1 315.417 3.026 20 5 DGBDMO CO[C@@H](C)C[N@@H+](C)Cc1cc([N+](=O)[O-])ccc1C(F)(F)F ZINC000293734058 433847118 /nfs/dbraw/zinc/84/71/18/433847118.db2.gz ZOKGSFCAXFYXTB-VIFPVBQESA-N 1 1 306.284 3.080 20 5 DGBDMO CC[C@H]1CCCC[N@H+]1CCNc1c2c(ccc1[N+](=O)[O-])NCC2 ZINC000302891807 433897762 /nfs/dbraw/zinc/89/77/62/433897762.db2.gz PTKHSKUXFBPLEU-ZDUSSCGKSA-N 1 1 318.421 3.239 20 5 DGBDMO O=[N+]([O-])c1cc(C[N@@H+]2CCC[C@@H]2[C@@H]2CCCO2)ccc1Cl ZINC000284986882 433915709 /nfs/dbraw/zinc/91/57/09/433915709.db2.gz YHJXFLKFIFTTSQ-HIFRSBDPSA-N 1 1 310.781 3.392 20 5 DGBDMO O=[N+]([O-])c1cc(C[N@H+]2CCC[C@@H]2[C@@H]2CCCO2)ccc1Cl ZINC000284986882 433915721 /nfs/dbraw/zinc/91/57/21/433915721.db2.gz YHJXFLKFIFTTSQ-HIFRSBDPSA-N 1 1 310.781 3.392 20 5 DGBDMO Cn1cnc([N+](=O)[O-])c1C[N@H+]1CCC[C@@H]1CCC1CCCC1 ZINC000362959789 433931202 /nfs/dbraw/zinc/93/12/02/433931202.db2.gz FBYHBLORMQGLGB-CQSZACIVSA-N 1 1 306.410 3.263 20 5 DGBDMO C[N@H+](CCc1ccccc1[N+](=O)[O-])Cc1ncc(C2CC2)o1 ZINC000285461746 433956665 /nfs/dbraw/zinc/95/66/65/433956665.db2.gz ZIEFTFPHXYTSII-UHFFFAOYSA-N 1 1 301.346 3.135 20 5 DGBDMO C[N@@H+](CCc1ccccc1[N+](=O)[O-])Cc1ncc(C2CC2)o1 ZINC000285461746 433956678 /nfs/dbraw/zinc/95/66/78/433956678.db2.gz ZIEFTFPHXYTSII-UHFFFAOYSA-N 1 1 301.346 3.135 20 5 DGBDMO CN(CCC[N@@H+](C)Cc1ccc([N+](=O)[O-])cc1)Cc1ccco1 ZINC000285559313 433992602 /nfs/dbraw/zinc/99/26/02/433992602.db2.gz HEDCFXCJHOGNQF-UHFFFAOYSA-N 1 1 317.389 3.142 20 5 DGBDMO CN(CCC[N@H+](C)Cc1ccco1)Cc1ccc([N+](=O)[O-])cc1 ZINC000285559313 433992611 /nfs/dbraw/zinc/99/26/11/433992611.db2.gz HEDCFXCJHOGNQF-UHFFFAOYSA-N 1 1 317.389 3.142 20 5 DGBDMO CN(CCC[N@@H+](C)Cc1ccco1)Cc1ccc([N+](=O)[O-])cc1 ZINC000285559313 433992620 /nfs/dbraw/zinc/99/26/20/433992620.db2.gz HEDCFXCJHOGNQF-UHFFFAOYSA-N 1 1 317.389 3.142 20 5 DGBDMO Cc1noc([C@H]2CCCC[N@@H+]2CCc2ccc([N+](=O)[O-])cc2)n1 ZINC000285547468 433988935 /nfs/dbraw/zinc/98/89/35/433988935.db2.gz GHHQOXQQNMJTLA-OAHLLOKOSA-N 1 1 316.361 3.056 20 5 DGBDMO Cc1noc([C@H]2CCCC[N@H+]2CCc2ccc([N+](=O)[O-])cc2)n1 ZINC000285547468 433988948 /nfs/dbraw/zinc/98/89/48/433988948.db2.gz GHHQOXQQNMJTLA-OAHLLOKOSA-N 1 1 316.361 3.056 20 5 DGBDMO CN(Cc1ccc(Cl)c([N+](=O)[O-])c1)C1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC000285554958 433995506 /nfs/dbraw/zinc/99/55/06/433995506.db2.gz RCCNNCLWTHZYDO-PBWFPOADSA-N 1 1 323.824 3.305 20 5 DGBDMO CC[C@@H](C)[N@@H+](C)CCNc1nccc2c1cccc2[N+](=O)[O-] ZINC000450303074 434094402 /nfs/dbraw/zinc/09/44/02/434094402.db2.gz INDVWUPGHKDGMI-GFCCVEGCSA-N 1 1 302.378 3.285 20 5 DGBDMO Cc1nc(C[NH3+])ccc1[C@H](C)N[C@H](C)c1cccc([N+](=O)[O-])c1 ZINC000422937384 434122088 /nfs/dbraw/zinc/12/20/88/434122088.db2.gz GINJJSNLFGEZFC-NEPJUHHUSA-N 1 1 314.389 3.169 20 5 DGBDMO CC(C)[N@H+]1CCCN(C/C=C\c2ccccc2[N+](=O)[O-])CC1 ZINC000505301537 294233590 /nfs/dbraw/zinc/23/35/90/294233590.db2.gz JPIXAVATMHMWGH-YVMONPNESA-N 1 1 303.406 3.024 20 5 DGBDMO O=[N+]([O-])c1ccc(OCC[N@@H+]2CCc3cc(F)ccc3C2)cc1 ZINC000509423535 294350800 /nfs/dbraw/zinc/35/08/00/294350800.db2.gz YSRXXQITTFTNGC-UHFFFAOYSA-N 1 1 316.332 3.171 20 5 DGBDMO O=[N+]([O-])c1ccc(OCC[N@H+]2CCc3cc(F)ccc3C2)cc1 ZINC000509423535 294350803 /nfs/dbraw/zinc/35/08/03/294350803.db2.gz YSRXXQITTFTNGC-UHFFFAOYSA-N 1 1 316.332 3.171 20 5 DGBDMO O=[N+]([O-])c1ccc(-c2noc(C[N@H+]3CC4CCC3CC4)n2)cc1 ZINC000378382950 434162049 /nfs/dbraw/zinc/16/20/49/434162049.db2.gz IEGMXJHQRBAJSQ-UHFFFAOYSA-N 1 1 314.345 3.019 20 5 DGBDMO CC[N@H+]1C[C@H](C)N(Cc2ccc(Cl)cc2[N+](=O)[O-])C[C@H]1C ZINC000346172634 434170461 /nfs/dbraw/zinc/17/04/61/434170461.db2.gz GCULEHSXYRPXEC-NEPJUHHUSA-N 1 1 311.813 3.163 20 5 DGBDMO CCC[N@@H+](CC)C[C@@H](C)Nc1ncc([N+](=O)[O-])cc1Cl ZINC000357775230 434173892 /nfs/dbraw/zinc/17/38/92/434173892.db2.gz ORKNUOFFDDWTOT-SNVBAGLBSA-N 1 1 300.790 3.176 20 5 DGBDMO COc1ccc2c(c1)C[N@@H+](Cc1cccc([N+](=O)[O-])c1C)CC2 ZINC000353503321 434184057 /nfs/dbraw/zinc/18/40/57/434184057.db2.gz IGPMVUXDBYDPBP-UHFFFAOYSA-N 1 1 312.369 3.470 20 5 DGBDMO COc1ccc2c(c1)C[N@H+](Cc1cccc([N+](=O)[O-])c1C)CC2 ZINC000353503321 434184064 /nfs/dbraw/zinc/18/40/64/434184064.db2.gz IGPMVUXDBYDPBP-UHFFFAOYSA-N 1 1 312.369 3.470 20 5 DGBDMO Cc1ccc(C[N@H+](C)[C@@H](CO)c2ccccc2)cc1[N+](=O)[O-] ZINC000295106890 434202758 /nfs/dbraw/zinc/20/27/58/434202758.db2.gz UJTVXJZMFHCYNS-KRWDZBQOSA-N 1 1 300.358 3.069 20 5 DGBDMO CCn1c(C)nc([N+](=O)[O-])c1Nc1ccc2c(c1)[nH+]c(C)n2C ZINC000514627271 294505092 /nfs/dbraw/zinc/50/50/92/294505092.db2.gz BOKKCQUCKWLVFM-UHFFFAOYSA-N 1 1 314.349 3.058 20 5 DGBDMO CC(C)[N@@H+](C)C[C@H](C)Nc1nccc2c1cccc2[N+](=O)[O-] ZINC000450533951 434250024 /nfs/dbraw/zinc/25/00/24/434250024.db2.gz ZAWINHHTQWOJKW-LBPRGKRZSA-N 1 1 302.378 3.284 20 5 DGBDMO O=[N+]([O-])c1ccc(OCC[N@H+]2CCS[C@@H]3CCCC[C@@H]32)cc1 ZINC000437544610 434285928 /nfs/dbraw/zinc/28/59/28/434285928.db2.gz IJRCZDGTAGJMCY-JKSUJKDBSA-N 1 1 322.430 3.334 20 5 DGBDMO Cn1ccnc1[C@@H]([NH2+][C@H]1CC=CCC1)c1cccc([N+](=O)[O-])c1 ZINC000353642173 434300781 /nfs/dbraw/zinc/30/07/81/434300781.db2.gz GQUNHTAWHVPLPY-HOCLYGCPSA-N 1 1 312.373 3.116 20 5 DGBDMO C[C@H](C(=O)N[C@@H](C)c1ccc([N+](=O)[O-])cc1)[N@@H+]1[C@H](C)CC[C@@H]1C ZINC000295456620 434370111 /nfs/dbraw/zinc/37/01/11/434370111.db2.gz XBCKHMAEKRPPGA-RFQIPJPRSA-N 1 1 319.405 3.033 20 5 DGBDMO C[C@H](NC(=O)[C@H](C)[N@@H+]1[C@H](C)CC[C@@H]1C)c1ccc([N+](=O)[O-])cc1 ZINC000295456616 434370557 /nfs/dbraw/zinc/37/05/57/434370557.db2.gz XBCKHMAEKRPPGA-CRWXNKLISA-N 1 1 319.405 3.033 20 5 DGBDMO CCC[N@H+]1CC[C@@H](CNc2nccc3cc([N+](=O)[O-])ccc32)C1 ZINC000295473159 434377515 /nfs/dbraw/zinc/37/75/15/434377515.db2.gz ISUFCYFOMAZASC-ZDUSSCGKSA-N 1 1 314.389 3.287 20 5 DGBDMO CCOc1cccc(NC[C@H]2CC[N@H+](C(C)C)C2)c1[N+](=O)[O-] ZINC000388990247 434343135 /nfs/dbraw/zinc/34/31/35/434343135.db2.gz PFQCLDKDMPQAPQ-CYBMUJFWSA-N 1 1 307.394 3.136 20 5 DGBDMO CC1(C)C[C@@H](O)CC[N@H+](Cc2c(Cl)cccc2[N+](=O)[O-])C1 ZINC000395394081 434417917 /nfs/dbraw/zinc/41/79/17/434417917.db2.gz VZWPPCNVRIYFJF-NSHDSACASA-N 1 1 312.797 3.231 20 5 DGBDMO CC1(C)C[C@@H](O)CC[N@@H+](Cc2c(Cl)cccc2[N+](=O)[O-])C1 ZINC000395394081 434417923 /nfs/dbraw/zinc/41/79/23/434417923.db2.gz VZWPPCNVRIYFJF-NSHDSACASA-N 1 1 312.797 3.231 20 5 DGBDMO CC(=O)c1cc(NC[C@@H]2CCCC[N@H+]2C2CC2)ccc1[N+](=O)[O-] ZINC000287866807 434468235 /nfs/dbraw/zinc/46/82/35/434468235.db2.gz SWVYFXJTCXRUQV-HNNXBMFYSA-N 1 1 317.389 3.226 20 5 DGBDMO CO[C@@H]1CC[N@@H+](Cc2ccc(-c3cccc([N+](=O)[O-])c3)o2)C1 ZINC000353848766 434478654 /nfs/dbraw/zinc/47/86/54/434478654.db2.gz WGUSLQOBCYCYLV-CQSZACIVSA-N 1 1 302.330 3.076 20 5 DGBDMO CCn1cncc1C[N@H+](Cc1ccc([N+](=O)[O-])cc1)C(C)C ZINC000417727917 434510774 /nfs/dbraw/zinc/51/07/74/434510774.db2.gz OKGYYEDDICYFQX-UHFFFAOYSA-N 1 1 302.378 3.222 20 5 DGBDMO CCn1cncc1C[N@@H+](Cc1ccc([N+](=O)[O-])cc1)C(C)C ZINC000417727917 434510785 /nfs/dbraw/zinc/51/07/85/434510785.db2.gz OKGYYEDDICYFQX-UHFFFAOYSA-N 1 1 302.378 3.222 20 5 DGBDMO CCO[C@H]1C[C@H]([N@@H+](C)CCOc2ccc([N+](=O)[O-])cc2)C1(C)C ZINC000525411646 295015336 /nfs/dbraw/zinc/01/53/36/295015336.db2.gz WIECUBBKGQVXFY-HOTGVXAUSA-N 1 1 322.405 3.109 20 5 DGBDMO C[C@H](C(=O)Nc1ccccc1[N+](=O)[O-])[N@@H+]1CC[C@H](C)C(C)(C)C1 ZINC000354014994 434577438 /nfs/dbraw/zinc/57/74/38/434577438.db2.gz POKJMLBMUPMQTP-QWHCGFSZSA-N 1 1 319.405 3.290 20 5 DGBDMO C[C@H](C(=O)Nc1ccccc1[N+](=O)[O-])[N@H+]1CC[C@H](C)C(C)(C)C1 ZINC000354014994 434577442 /nfs/dbraw/zinc/57/74/42/434577442.db2.gz POKJMLBMUPMQTP-QWHCGFSZSA-N 1 1 319.405 3.290 20 5 DGBDMO CC(C)[N@H+]1CC[C@H](N(C)Cc2c(Cl)cccc2[N+](=O)[O-])C1 ZINC000452124781 434586354 /nfs/dbraw/zinc/58/63/54/434586354.db2.gz WYFBNHPIOHQYSI-LBPRGKRZSA-N 1 1 311.813 3.163 20 5 DGBDMO CCOc1ccc([C@@H](C)[NH2+]Cc2ccc(F)cn2)cc1[N+](=O)[O-] ZINC000349206980 434637714 /nfs/dbraw/zinc/63/77/14/434637714.db2.gz DVUOVXDNNYTIIR-LLVKDONJSA-N 1 1 319.336 3.378 20 5 DGBDMO CC[C@H](CSc1ccccc1[N+](=O)[O-])[NH2+][C@@H]1CCCC[C@H]1N ZINC000424379934 434716849 /nfs/dbraw/zinc/71/68/49/434716849.db2.gz WEIFXBDALYETOW-MGPQQGTHSA-N 1 1 323.462 3.325 20 5 DGBDMO CC[C@H](CSc1ccccc1[N+](=O)[O-])N[C@@H]1CCCC[C@H]1[NH3+] ZINC000424379934 434716854 /nfs/dbraw/zinc/71/68/54/434716854.db2.gz WEIFXBDALYETOW-MGPQQGTHSA-N 1 1 323.462 3.325 20 5 DGBDMO Cc1cc([N+](=O)[O-])ccc1C[N@H+]1CCC2(CCOCC2)[C@H]1C ZINC000371865607 434762634 /nfs/dbraw/zinc/76/26/34/434762634.db2.gz WWCAIXACKWBIEC-CQSZACIVSA-N 1 1 304.390 3.294 20 5 DGBDMO CCn1c2ccc(C)cc2[nH+]c1NCc1cccc([N+](=O)[O-])c1 ZINC000460670342 434765617 /nfs/dbraw/zinc/76/56/17/434765617.db2.gz MOVILVRJQGTHAF-UHFFFAOYSA-N 1 1 310.357 3.885 20 5 DGBDMO O=[N+]([O-])c1ccc(C[N@@H+](CCc2cncs2)C2CC2)cc1 ZINC000411425041 434779021 /nfs/dbraw/zinc/77/90/21/434779021.db2.gz ZZRGDFBRKCBZJQ-UHFFFAOYSA-N 1 1 303.387 3.258 20 5 DGBDMO COCCCC[N@@H+](C)Cc1coc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000419378898 434781882 /nfs/dbraw/zinc/78/18/82/434781882.db2.gz FFGLDIDGJKSSML-UHFFFAOYSA-N 1 1 319.361 3.108 20 5 DGBDMO COc1cc(C[N@@H+]2CCC(C)=C(C)C2)c([N+](=O)[O-])cc1OC ZINC000361111087 434799194 /nfs/dbraw/zinc/79/91/94/434799194.db2.gz RXZTVYNZIOPPCE-UHFFFAOYSA-N 1 1 306.362 3.154 20 5 DGBDMO COc1cc(C[N@H+]2CCC(C)=C(C)C2)c([N+](=O)[O-])cc1OC ZINC000361111087 434799199 /nfs/dbraw/zinc/79/91/99/434799199.db2.gz RXZTVYNZIOPPCE-UHFFFAOYSA-N 1 1 306.362 3.154 20 5 DGBDMO Cc1c(C[N@H+]2C[C@H](O)C[C@H]2c2ccccc2)cccc1[N+](=O)[O-] ZINC000411956527 434847402 /nfs/dbraw/zinc/84/74/02/434847402.db2.gz WDPXDZBPQKXEGB-AEFFLSMTSA-N 1 1 312.369 3.211 20 5 DGBDMO CCOc1cccc(C[NH2+]C(C)(C)c2ccccc2[N+](=O)[O-])n1 ZINC000492336785 434964260 /nfs/dbraw/zinc/96/42/60/434964260.db2.gz XAKKTDKPJGMEDS-UHFFFAOYSA-N 1 1 315.373 3.413 20 5 DGBDMO O=[N+]([O-])c1cccc2c1CC[C@@H]2[N@H+]1CCC[C@@]2(CCOC2)C1 ZINC000573815498 434928141 /nfs/dbraw/zinc/92/81/41/434928141.db2.gz RKTHXDRICYAUJO-DOTOQJQBSA-N 1 1 302.374 3.085 20 5 DGBDMO C[N@@H+](CCc1cccc([N+](=O)[O-])c1)Cc1ccc(Cl)cn1 ZINC000558742154 435109247 /nfs/dbraw/zinc/10/92/47/435109247.db2.gz XGHFDIXZRNJPFG-UHFFFAOYSA-N 1 1 305.765 3.318 20 5 DGBDMO CC[C@H]1C[C@H](C)C[N@H+]1CCC(=O)Nc1ccc([N+](=O)[O-])cc1C ZINC000467205089 435110621 /nfs/dbraw/zinc/11/06/21/435110621.db2.gz FYXFBZZXKALHRD-JSGCOSHPSA-N 1 1 319.405 3.352 20 5 DGBDMO C/C(=C/c1cccc([N+](=O)[O-])c1)C[N@@H+]1CC[C@@H]2CCN(C)C[C@H]21 ZINC000470200600 435134494 /nfs/dbraw/zinc/13/44/94/435134494.db2.gz CADBISOUQFWTIP-MBMZNTITSA-N 1 1 315.417 3.024 20 5 DGBDMO C[N@@H+](CCC(=O)Nc1ccc([N+](=O)[O-])cc1)CC1CCCCC1 ZINC000532755629 435192459 /nfs/dbraw/zinc/19/24/59/435192459.db2.gz CKWVCCHQWXMWET-UHFFFAOYSA-N 1 1 319.405 3.436 20 5 DGBDMO CCC[N@@H+](CC)C[C@H](C)NC/C=C\c1ccccc1[N+](=O)[O-] ZINC000579533216 435162166 /nfs/dbraw/zinc/16/21/66/435162166.db2.gz LTOAXVNEVSNIQY-WWRUEGTHSA-N 1 1 305.422 3.318 20 5 DGBDMO CCCN(CC)C[C@H](C)[NH2+]C/C=C\c1ccccc1[N+](=O)[O-] ZINC000579533216 435162170 /nfs/dbraw/zinc/16/21/70/435162170.db2.gz LTOAXVNEVSNIQY-WWRUEGTHSA-N 1 1 305.422 3.318 20 5 DGBDMO Cc1cccc([N+](=O)[O-])c1NC(=O)C[N@H+]1C[C@@H](C)CCC[C@H]1C ZINC000532582151 435178867 /nfs/dbraw/zinc/17/88/67/435178867.db2.gz KOBUKJONWPENAK-GXTWGEPZSA-N 1 1 319.405 3.352 20 5 DGBDMO CCOc1ccc([C@H](C)[NH2+]Cc2cc(CC)no2)cc1[N+](=O)[O-] ZINC000534329020 435280510 /nfs/dbraw/zinc/28/05/10/435280510.db2.gz GCLOKLWUUMYPPG-NSHDSACASA-N 1 1 319.361 3.395 20 5 DGBDMO Cc1ccc([N+](=O)[O-])cc1[C@@H](C)[N@@H+]1CCO[C@@](C)(C2CC2)C1 ZINC000595625856 435309207 /nfs/dbraw/zinc/30/92/07/435309207.db2.gz PKZPCAZRRQCPOY-CXAGYDPISA-N 1 1 304.390 3.465 20 5 DGBDMO Cc1ccc([N+](=O)[O-])cc1[C@@H](C)[N@H+]1CCO[C@@](C)(C2CC2)C1 ZINC000595625856 435309213 /nfs/dbraw/zinc/30/92/13/435309213.db2.gz PKZPCAZRRQCPOY-CXAGYDPISA-N 1 1 304.390 3.465 20 5 DGBDMO C[N@@H+](CCn1ccc([N+](=O)[O-])n1)C1CCC(C(C)(C)C)CC1 ZINC000478435266 435299145 /nfs/dbraw/zinc/29/91/45/435299145.db2.gz YTLPDQYKANHFAF-UHFFFAOYSA-N 1 1 308.426 3.328 20 5 DGBDMO CCCC[N@@H+](C)CCNc1ccc(C(=O)CC)cc1[N+](=O)[O-] ZINC000479997918 435360430 /nfs/dbraw/zinc/36/04/30/435360430.db2.gz SXXDBYWZJOEJST-UHFFFAOYSA-N 1 1 307.394 3.331 20 5 DGBDMO C[N@@H+](CCOc1ccccc1F)CCc1ccccc1[N+](=O)[O-] ZINC000511057559 435313127 /nfs/dbraw/zinc/31/31/27/435313127.db2.gz ATYXEXRQWGUYOT-UHFFFAOYSA-N 1 1 318.348 3.287 20 5 DGBDMO C[C@H]1C[N@@H+](Cc2cc([N+](=O)[O-])ccc2OC(F)F)C[C@H]1C ZINC000536668891 435402511 /nfs/dbraw/zinc/40/25/11/435402511.db2.gz IHJXELPSZKZYLT-AOOOYVTPSA-N 1 1 300.305 3.284 20 5 DGBDMO CC[C@@H]1CC[C@@H](C)[N@H+]1CCOc1ccc(OC)cc1[N+](=O)[O-] ZINC000536745146 435408088 /nfs/dbraw/zinc/40/80/88/435408088.db2.gz GXVZNFLBEBDMKU-CHWSQXEVSA-N 1 1 308.378 3.245 20 5 DGBDMO C[C@@H]1C[C@@H](C)[N@@H+](Cc2coc(-c3ccc([N+](=O)[O-])cc3)n2)C1 ZINC000536363800 435377970 /nfs/dbraw/zinc/37/79/70/435377970.db2.gz SADWVVJRDNQZPT-VXGBXAGGSA-N 1 1 301.346 3.480 20 5 DGBDMO COc1ccc(OCC[N@H+]2CCCC[C@H](C)C2)c([N+](=O)[O-])c1 ZINC000481617635 435437494 /nfs/dbraw/zinc/43/74/94/435437494.db2.gz VQTJPOHAGOOYAL-ZDUSSCGKSA-N 1 1 308.378 3.104 20 5 DGBDMO O=[N+]([O-])c1ccc(N[C@@H]2CC[N@@H+](CCC3CCCCC3)C2)nc1 ZINC000483266346 435505381 /nfs/dbraw/zinc/50/53/81/435505381.db2.gz WBTRDLABKHMVRD-OAHLLOKOSA-N 1 1 318.421 3.446 20 5 DGBDMO CC(C)[C@H](C[NH2+][C@H]1CCc2c1cccc2[N+](=O)[O-])N1CCCC1 ZINC000569472907 435536526 /nfs/dbraw/zinc/53/65/26/435536526.db2.gz SRRVVYFNYIXIDC-WMZOPIPTSA-N 1 1 317.433 3.292 20 5 DGBDMO O=[N+]([O-])c1cccc2c1CC[C@@H]2N[C@@H]1CC[N@H+](C2CCCC2)C1 ZINC000569258348 435519015 /nfs/dbraw/zinc/51/90/15/435519015.db2.gz CNKFLMQEKMFLJT-DYVFJYSZSA-N 1 1 315.417 3.189 20 5 DGBDMO O=[N+]([O-])c1cccc2c1CC[C@@H]2[NH2+][C@@H]1CCN(C2CCCC2)C1 ZINC000569258348 435519020 /nfs/dbraw/zinc/51/90/20/435519020.db2.gz CNKFLMQEKMFLJT-DYVFJYSZSA-N 1 1 315.417 3.189 20 5 DGBDMO Cc1cc(NC(=O)[C@H](C)c2cccc([N+](=O)[O-])c2)cn2cc[nH+]c12 ZINC000569828167 435564864 /nfs/dbraw/zinc/56/48/64/435564864.db2.gz UCEHHSXDKMIFGU-GFCCVEGCSA-N 1 1 324.340 3.293 20 5 DGBDMO C[C@H]1Cc2ccccc2C[N@H+]1CCOc1ccc([N+](=O)[O-])cc1 ZINC000518022044 435622734 /nfs/dbraw/zinc/62/27/34/435622734.db2.gz GTHVJQOIFYZGIW-AWEZNQCLSA-N 1 1 312.369 3.420 20 5 DGBDMO CC(C)c1ccc(C[N@@H+]2CCC[C@@H]([C@@H](C)O)C2)cc1[N+](=O)[O-] ZINC000540962183 435630621 /nfs/dbraw/zinc/63/06/21/435630621.db2.gz VBQKGDMOTOIEFZ-UKRRQHHQSA-N 1 1 306.406 3.311 20 5 DGBDMO COCC[N@@H+](Cc1c(F)cccc1[N+](=O)[O-])[C@@H]1CCC[C@H]1C ZINC000487965740 435630734 /nfs/dbraw/zinc/63/07/34/435630734.db2.gz URODLFBCPWPYAB-IUODEOHRSA-N 1 1 310.369 3.371 20 5 DGBDMO Cc1ccc([N+](=O)[O-])cc1[C@@H](C)N1CC[N@@H+](C)[C@@H](C(C)C)C1 ZINC000487989655 435631514 /nfs/dbraw/zinc/63/15/14/435631514.db2.gz AMOQDTFOLZKSST-RHSMWYFYSA-N 1 1 305.422 3.236 20 5 DGBDMO CC(C)[C@@H]1C[N@H+](Cc2ccc([N+](=O)[O-])cc2Cl)CCCO1 ZINC000572784714 435866798 /nfs/dbraw/zinc/86/67/98/435866798.db2.gz MLYSIKVNSSVJNZ-HNNXBMFYSA-N 1 1 312.797 3.495 20 5 DGBDMO CC(C)[C@@H]1C[N@@H+](Cc2ccc([N+](=O)[O-])cc2Cl)CCCO1 ZINC000572784714 435866809 /nfs/dbraw/zinc/86/68/09/435866809.db2.gz MLYSIKVNSSVJNZ-HNNXBMFYSA-N 1 1 312.797 3.495 20 5 DGBDMO O=[N+]([O-])c1ccccc1/C=C/C[N@H+]1CC[C@H](C2CCOCC2)C1 ZINC000377251231 313033975 /nfs/dbraw/zinc/03/39/75/313033975.db2.gz PMZDUMOUVZCRLA-RCFWFJCLSA-N 1 1 316.401 3.357 20 5 DGBDMO C[N@H+](C/C=C\c1ccccc1[N+](=O)[O-])CCc1ccccc1O ZINC000541551681 314022575 /nfs/dbraw/zinc/02/25/75/314022575.db2.gz PZMRRDGEKYORJZ-TWGQIWQCSA-N 1 1 312.369 3.488 20 5 DGBDMO CC(C)(C)[C@@H]1CC[N@@H+](CCC(=O)Nc2ccc([N+](=O)[O-])cc2)C1 ZINC000542322271 314070471 /nfs/dbraw/zinc/07/04/71/314070471.db2.gz SLUVYAQZRYOZNX-CYBMUJFWSA-N 1 1 319.405 3.291 20 5 DGBDMO Cc1ccccc1[C@@H](CO)[NH2+]Cc1ccc(Cl)cc1[N+](=O)[O-] ZINC000542909927 314104904 /nfs/dbraw/zinc/10/49/04/314104904.db2.gz CONLEPDVJLLULT-OAHLLOKOSA-N 1 1 320.776 3.380 20 5 DGBDMO C[C@@H]1C[N@@H+](CCOc2ccccc2[N+](=O)[O-])[C@H]2CCCC[C@H]12 ZINC000542977365 314109037 /nfs/dbraw/zinc/10/90/37/314109037.db2.gz FRULKGSHWKNCMR-KFWWJZLASA-N 1 1 304.390 3.484 20 5 DGBDMO C[C@@H]1C[N@@H+](CCOc2ccccc2[N+](=O)[O-])[C@@H]2CCCC[C@@H]21 ZINC000542977367 314109211 /nfs/dbraw/zinc/10/92/11/314109211.db2.gz FRULKGSHWKNCMR-RBSFLKMASA-N 1 1 304.390 3.484 20 5 DGBDMO CCCC[N@@H+](CCCO)Cc1ccc(Cl)cc1[N+](=O)[O-] ZINC000182140290 323284759 /nfs/dbraw/zinc/28/47/59/323284759.db2.gz OAEYIMDTGMIGNE-UHFFFAOYSA-N 1 1 300.786 3.233 20 5 DGBDMO CC[N@@H+](CCN[C@H]1CCCc2ccc([N+](=O)[O-])cc21)C(C)C ZINC000581111432 324075481 /nfs/dbraw/zinc/07/54/81/324075481.db2.gz VXKDJALNBBGVNX-KRWDZBQOSA-N 1 1 305.422 3.292 20 5 DGBDMO CCN(CC[NH2+][C@H]1CCCc2ccc([N+](=O)[O-])cc21)C(C)C ZINC000581111432 324075483 /nfs/dbraw/zinc/07/54/83/324075483.db2.gz VXKDJALNBBGVNX-KRWDZBQOSA-N 1 1 305.422 3.292 20 5 DGBDMO O=[N+]([O-])c1ccc(N[C@@H]2CC[N@H+]([C@H]3C=CCCCCC3)C2)nc1 ZINC000581501637 324124129 /nfs/dbraw/zinc/12/41/29/324124129.db2.gz FPEFJKCZXOLRQP-CABCVRRESA-N 1 1 316.405 3.365 20 5 DGBDMO CC1(C)C[N@H+](C/C=C/c2ccccc2[N+](=O)[O-])[C@@H]1[C@H]1CCCO1 ZINC000583294387 324336081 /nfs/dbraw/zinc/33/60/81/324336081.db2.gz GFXDPCBFVNCFAK-QQQVMXRDSA-N 1 1 316.401 3.497 20 5 DGBDMO CC1(C)C[N@@H+](C/C=C/c2ccccc2[N+](=O)[O-])[C@@H]1[C@H]1CCCO1 ZINC000583294387 324336083 /nfs/dbraw/zinc/33/60/83/324336083.db2.gz GFXDPCBFVNCFAK-QQQVMXRDSA-N 1 1 316.401 3.497 20 5 DGBDMO Cc1c(C[N@@H+]2CCCCC[C@H]2C[C@@H](C)O)cccc1[N+](=O)[O-] ZINC000318457794 533842231 /nfs/dbraw/zinc/84/22/31/533842231.db2.gz QLYFYYSZPUIVMA-CJNGLKHVSA-N 1 1 306.406 3.419 20 5 DGBDMO Cc1ccc(C[N@H+](CCN(C)C)C2CCCC2)cc1[N+](=O)[O-] ZINC000428077691 533885756 /nfs/dbraw/zinc/88/57/56/533885756.db2.gz LHPMQKGQLNAGPB-UHFFFAOYSA-N 1 1 305.422 3.209 20 5 DGBDMO Cc1ccc(CN(CC[NH+](C)C)C2CCCC2)cc1[N+](=O)[O-] ZINC000428077691 533885764 /nfs/dbraw/zinc/88/57/64/533885764.db2.gz LHPMQKGQLNAGPB-UHFFFAOYSA-N 1 1 305.422 3.209 20 5 DGBDMO Cc1c(NC(=O)CC[N@H+](C)[C@@H]2CC[C@H](C)C2)cccc1[N+](=O)[O-] ZINC000429567707 533900139 /nfs/dbraw/zinc/90/01/39/533900139.db2.gz MQKDRNHZTBUPKN-GXTWGEPZSA-N 1 1 319.405 3.352 20 5 DGBDMO Cc1c(NC(=O)CC[N@H+](C)[C@@H]2CC[C@@H](C)C2)cccc1[N+](=O)[O-] ZINC000429567713 533900250 /nfs/dbraw/zinc/90/02/50/533900250.db2.gz MQKDRNHZTBUPKN-TZMCWYRMSA-N 1 1 319.405 3.352 20 5 DGBDMO Cc1ccc(-c2noc(C[NH+]3CCC(C)CC3)n2)cc1[N+](=O)[O-] ZINC000443204656 534232293 /nfs/dbraw/zinc/23/22/93/534232293.db2.gz PZEWFNDDJQHTLP-UHFFFAOYSA-N 1 1 316.361 3.185 20 5 DGBDMO CCC[C@@H]1C[N@H+](C/C(C)=C\c2cccc([N+](=O)[O-])c2)CCO1 ZINC000470170114 535435294 /nfs/dbraw/zinc/43/52/94/535435294.db2.gz OUMNURWDKVYFQK-OOXMNIKJSA-N 1 1 304.390 3.499 20 5 DGBDMO CCC[C@@H]1C[N@@H+](C/C(C)=C\c2cccc([N+](=O)[O-])c2)CCO1 ZINC000470170114 535435301 /nfs/dbraw/zinc/43/53/01/535435301.db2.gz OUMNURWDKVYFQK-OOXMNIKJSA-N 1 1 304.390 3.499 20 5 DGBDMO C[C@H](C(=O)OCc1c(F)cccc1[N+](=O)[O-])[N@H+]1[C@H](C)CC[C@@H]1C ZINC000741017236 574524069 /nfs/dbraw/zinc/52/40/69/574524069.db2.gz BVGVDISHVYJINT-GRYCIOLGSA-N 1 1 324.352 3.038 20 5 DGBDMO C[C@H](C(=O)OCc1c(F)cccc1[N+](=O)[O-])[N@@H+]1[C@H](C)CC[C@@H]1C ZINC000741017236 574524072 /nfs/dbraw/zinc/52/40/72/574524072.db2.gz BVGVDISHVYJINT-GRYCIOLGSA-N 1 1 324.352 3.038 20 5 DGBDMO CN(CC[N@H+](C)Cc1cc(F)ccc1[N+](=O)[O-])c1ccccc1 ZINC000730808403 574536228 /nfs/dbraw/zinc/53/62/28/574536228.db2.gz LRILCQPDVOAJPI-UHFFFAOYSA-N 1 1 317.364 3.302 20 5 DGBDMO CN(CC[N@@H+](C)Cc1cc(F)ccc1[N+](=O)[O-])c1ccccc1 ZINC000730808403 574536229 /nfs/dbraw/zinc/53/62/29/574536229.db2.gz LRILCQPDVOAJPI-UHFFFAOYSA-N 1 1 317.364 3.302 20 5 DGBDMO O=[N+]([O-])c1ccc2nc(N[C@@H]3CC[N@H+]4CCC[C@@H]4C3)sc2c1 ZINC000731206699 574545247 /nfs/dbraw/zinc/54/52/47/574545247.db2.gz PDMBAYJCPORCGG-GHMZBOCLSA-N 1 1 318.402 3.243 20 5 DGBDMO C[N@@H+](CCOc1ccc([N+](=O)[O-])cc1)CCc1ccccc1F ZINC000731669310 574554905 /nfs/dbraw/zinc/55/49/05/574554905.db2.gz FOAUDGFRYKKXNF-UHFFFAOYSA-N 1 1 318.348 3.287 20 5 DGBDMO CC[N@H+]1CC[C@@H](N(C)c2ccc(C(C)=O)cc2[N+](=O)[O-])C[C@@H]1C ZINC000740870593 574944087 /nfs/dbraw/zinc/94/40/87/574944087.db2.gz FZOHFTGYDILELK-SWLSCSKDSA-N 1 1 319.405 3.106 20 5 DGBDMO CC[C@@H](Cc1ccc(C)cc1)[N@@H+](CC)Cn1nccc1[N+](=O)[O-] ZINC000742178567 574983769 /nfs/dbraw/zinc/98/37/69/574983769.db2.gz XCZCIHBRSZNTSV-INIZCTEOSA-N 1 1 316.405 3.400 20 5 DGBDMO CC(C)[N@H+]1CCCN(Cc2cc(Cl)ccc2[N+](=O)[O-])CC1 ZINC000746666821 575467808 /nfs/dbraw/zinc/46/78/08/575467808.db2.gz RGHJUCAQFWNXAH-UHFFFAOYSA-N 1 1 311.813 3.164 20 5 DGBDMO CC[C@H](O)[C@@H]1CCCC[N@H+]1Cc1cc(Cl)ccc1[N+](=O)[O-] ZINC000746669484 575468453 /nfs/dbraw/zinc/46/84/53/575468453.db2.gz DJSJUJQCPUALQY-GJZGRUSLSA-N 1 1 312.797 3.374 20 5 DGBDMO CCCC[N@@H+](CCOC)Cc1cc(Cl)ccc1[N+](=O)[O-] ZINC000746674315 575468750 /nfs/dbraw/zinc/46/87/50/575468750.db2.gz UKVVNPKMJCRMEE-UHFFFAOYSA-N 1 1 300.786 3.497 20 5 DGBDMO CO[C@H](C)C[N@@H+](Cc1cc(Cl)ccc1[N+](=O)[O-])C(C)C ZINC000746676070 575469616 /nfs/dbraw/zinc/46/96/16/575469616.db2.gz ZLQSCDIFLQTCKO-LLVKDONJSA-N 1 1 300.786 3.494 20 5 DGBDMO O=[N+]([O-])c1ccc(Cl)c(C[N@H+]2CCC[C@H]([C@H]3CCOC3)C2)c1 ZINC000749558955 575664823 /nfs/dbraw/zinc/66/48/23/575664823.db2.gz KDZXNMOILVDIBI-STQMWFEESA-N 1 1 324.808 3.497 20 5 DGBDMO O=[N+]([O-])c1cccc([C@H](O)C[N@@H+](C2CC2)C2CCCCC2)c1 ZINC000750039853 575699334 /nfs/dbraw/zinc/69/93/34/575699334.db2.gz LKKSKMQLANBWFW-QGZVFWFLSA-N 1 1 304.390 3.425 20 5 DGBDMO CC[N@H+]1CC[C@H](N(C)c2c(F)cc([N+](=O)[O-])cc2F)C[C@H]1C ZINC000749319698 576093429 /nfs/dbraw/zinc/09/34/29/576093429.db2.gz AIGQXUNQQQBFCM-MNOVXSKESA-N 1 1 313.348 3.182 20 5 DGBDMO CCS[C@@H]1CC[C@@H]([N@@H+](C)C[C@H](O)c2cccc([N+](=O)[O-])c2)C1 ZINC000154383630 620666907 /nfs/dbraw/zinc/66/69/07/620666907.db2.gz SOIMZBJMLPFLBQ-BMFZPTHFSA-N 1 1 324.446 3.234 20 5 DGBDMO O=[N+]([O-])c1cccc([C@@H](O)C[N@H+]2CCC3(C2)CCCCC3)c1 ZINC000154367662 620666061 /nfs/dbraw/zinc/66/60/61/620666061.db2.gz SSJXFLXQJPBFMG-INIZCTEOSA-N 1 1 304.390 3.284 20 5 DGBDMO C[C@@H]1CCC[N@@H+](CCNc2nc3ccc([N+](=O)[O-])cc3s2)C1 ZINC000111193907 620680678 /nfs/dbraw/zinc/68/06/78/620680678.db2.gz VHQZTMHPWOEYGG-LLVKDONJSA-N 1 1 320.418 3.348 20 5 DGBDMO CCC[N@H+]1CCC[C@H]1CNc1nc2ccc([N+](=O)[O-])cc2s1 ZINC000804834781 617682261 /nfs/dbraw/zinc/68/22/61/617682261.db2.gz OYQLLSTUTHCRNY-LBPRGKRZSA-N 1 1 320.418 3.491 20 5 DGBDMO COc1c(O)ccc(C[N@@H+]2CC3(CCC3)[C@H]2C2CC2)c1[N+](=O)[O-] ZINC000894543773 618378183 /nfs/dbraw/zinc/37/81/83/618378183.db2.gz DCQRWQDZIHASEY-MRXNPFEDSA-N 1 1 318.373 3.074 20 5 DGBDMO COc1c(O)ccc(C[N@H+]2CC3(CCC3)[C@H]2C2CC2)c1[N+](=O)[O-] ZINC000894543773 618378189 /nfs/dbraw/zinc/37/81/89/618378189.db2.gz DCQRWQDZIHASEY-MRXNPFEDSA-N 1 1 318.373 3.074 20 5 DGBDMO COc1c(O)ccc(C[N@@H+](C)C[C@@H]2CC=CCC2)c1[N+](=O)[O-] ZINC000893521361 618582516 /nfs/dbraw/zinc/58/25/16/618582516.db2.gz DBHZPDSMGHQQHW-GFCCVEGCSA-N 1 1 306.362 3.097 20 5 DGBDMO Cc1cc(C)c([N+](=O)[O-])cc1NC(=O)[C@H]1CC[N@@H+]1C(C)(C)C ZINC000899937850 619384480 /nfs/dbraw/zinc/38/44/80/619384480.db2.gz RQXRPSCYHXSJAO-CYBMUJFWSA-N 1 1 305.378 3.023 20 5 DGBDMO Cc1cc(C)c([N+](=O)[O-])cc1NC(=O)[C@H]1CC[N@H+]1C(C)(C)C ZINC000899937850 619384481 /nfs/dbraw/zinc/38/44/81/619384481.db2.gz RQXRPSCYHXSJAO-CYBMUJFWSA-N 1 1 305.378 3.023 20 5 DGBDMO Cc1ccc([C@@H](C)[NH2+][C@@H]2Cc3ccccc3[C@H]2N)cc1[N+](=O)[O-] ZINC000902447584 619639535 /nfs/dbraw/zinc/63/95/35/619639535.db2.gz ZTJKNAZLCWSCQJ-XHBKTUGNSA-N 1 1 311.385 3.179 20 5 DGBDMO CCC[C@@H]([NH2+]Cc1csc(N)n1)c1cccc([N+](=O)[O-])c1 ZINC000902488884 619646260 /nfs/dbraw/zinc/64/62/60/619646260.db2.gz PNVPLMPQEHAZBU-CYBMUJFWSA-N 1 1 306.391 3.265 20 5 DGBDMO COc1cc([C@H](C)[NH2+][C@H]2CCCc3cn[nH]c32)cc([N+](=O)[O-])c1 ZINC000903123487 619721714 /nfs/dbraw/zinc/72/17/14/619721714.db2.gz AJLHZJOATKPQPR-BONVTDFDSA-N 1 1 316.361 3.055 20 5 DGBDMO COc1cc([C@H](C)[NH2+][C@H]2CCCc3c[nH]nc32)cc([N+](=O)[O-])c1 ZINC000903123487 619721715 /nfs/dbraw/zinc/72/17/15/619721715.db2.gz AJLHZJOATKPQPR-BONVTDFDSA-N 1 1 316.361 3.055 20 5 DGBDMO COc1cc([C@@H](C)[NH2+][C@H](CO)c2ccsc2)cc([N+](=O)[O-])c1 ZINC000903153317 619725982 /nfs/dbraw/zinc/72/59/82/619725982.db2.gz REZFDWJYPJPVIG-MEBBXXQBSA-N 1 1 322.386 3.049 20 5 DGBDMO CCCc1ncc(C[NH2+][C@H](C)c2cc(OC)cc([N+](=O)[O-])c2)o1 ZINC000903188087 619736740 /nfs/dbraw/zinc/73/67/40/619736740.db2.gz XVVCEPWTFLZLMH-LLVKDONJSA-N 1 1 319.361 3.395 20 5 DGBDMO Cc1ccc(CNC2C[C@H]3CC[C@@H](C2)[N@@H+]3C2CC2)cc1[N+](=O)[O-] ZINC000903214765 619739916 /nfs/dbraw/zinc/73/99/16/619739916.db2.gz XGWGVPNHSHNKSJ-ZXFUBFMLSA-N 1 1 315.417 3.151 20 5 DGBDMO C[C@@H]([NH2+][C@H](C)c1ccc([N+](=O)[O-])cc1)c1cc2n(n1)CCC2 ZINC000903287245 619754566 /nfs/dbraw/zinc/75/45/66/619754566.db2.gz LUXLIPYYCBEKLB-VXGBXAGGSA-N 1 1 300.362 3.149 20 5 DGBDMO C[N@H+](Cc1nc(Cc2ccccc2[N+](=O)[O-])no1)CC(C)(C)C ZINC000903965493 619849539 /nfs/dbraw/zinc/84/95/39/619849539.db2.gz AGKOYSIITCWYCQ-UHFFFAOYSA-N 1 1 318.377 3.047 20 5 DGBDMO C[N@@H+](Cc1nc(Cc2ccccc2[N+](=O)[O-])no1)CC(C)(C)C ZINC000903965493 619849543 /nfs/dbraw/zinc/84/95/43/619849543.db2.gz AGKOYSIITCWYCQ-UHFFFAOYSA-N 1 1 318.377 3.047 20 5 DGBDMO O=[N+]([O-])c1ccc(C[N@@H+]2CCCC(F)(F)CC2)c([N+](=O)[O-])c1 ZINC000859537670 621288490 /nfs/dbraw/zinc/28/84/90/621288490.db2.gz LBNGGGMYOQHKCS-UHFFFAOYSA-N 1 1 315.276 3.124 20 5 DGBDMO O=[N+]([O-])c1ccc(C[N@H+]2CCCC(F)(F)CC2)c([N+](=O)[O-])c1 ZINC000859537670 621288493 /nfs/dbraw/zinc/28/84/93/621288493.db2.gz LBNGGGMYOQHKCS-UHFFFAOYSA-N 1 1 315.276 3.124 20 5 DGBDMO CC(C)C[N@@H+](Cc1cnn(C)c1)Cc1ccc([N+](=O)[O-])c(F)c1 ZINC000839132399 621338828 /nfs/dbraw/zinc/33/88/28/621338828.db2.gz OUUUJFQVQJOGBM-UHFFFAOYSA-N 1 1 320.368 3.126 20 5 DGBDMO CCOc1cc(C[NH2+][C@@H](C)c2ccns2)ccc1[N+](=O)[O-] ZINC000860062012 621361853 /nfs/dbraw/zinc/36/18/53/621361853.db2.gz QWYCDBNKDJIFHY-JTQLQIEISA-N 1 1 307.375 3.301 20 5 DGBDMO Cc1cc(F)ccc1C[N@@H+](C)C[C@@H](O)c1ccc([N+](=O)[O-])cc1 ZINC000753787492 621465400 /nfs/dbraw/zinc/46/54/00/621465400.db2.gz WSUCBAUNAALGHO-QGZVFWFLSA-N 1 1 318.348 3.208 20 5 DGBDMO O=[N+]([O-])c1ccc2c(cnn2C[N@H+]2CC[C@@H](c3ccccc3)C2)c1 ZINC000120273480 621823256 /nfs/dbraw/zinc/82/32/56/621823256.db2.gz GFKLWXHBYLQRDF-OAHLLOKOSA-N 1 1 322.368 3.392 20 5 DGBDMO Cc1ccc(C)c(C[N@@H+](C)C[C@@H](O)c2cccc([N+](=O)[O-])c2)c1 ZINC000759644541 621879117 /nfs/dbraw/zinc/87/91/17/621879117.db2.gz NKLHVPFGPSPXOC-GOSISDBHSA-N 1 1 314.385 3.377 20 5 DGBDMO CC[C@H]1C[C@H](C)C[N@H+]1Cn1nc(C)c2ccc([N+](=O)[O-])cc21 ZINC000761290341 621999740 /nfs/dbraw/zinc/99/97/40/621999740.db2.gz IDOOPVHMBGARBI-AAEUAGOBSA-N 1 1 302.378 3.331 20 5 DGBDMO CC(C)(C)C[N@@H+](CCO)Cc1ccc([N+](=O)[O-])c(Cl)c1 ZINC000761512820 622013690 /nfs/dbraw/zinc/01/36/90/622013690.db2.gz XTCPKUZGHCAPML-UHFFFAOYSA-N 1 1 300.786 3.089 20 5 DGBDMO COC(=O)CC[N@@H+](Cc1ccc([N+](=O)[O-])c(Cl)c1)C(C)C ZINC000761512364 622013873 /nfs/dbraw/zinc/01/38/73/622013873.db2.gz RKMYJJYBFYKBLU-UHFFFAOYSA-N 1 1 314.769 3.022 20 5 DGBDMO O=[N+]([O-])c1ccc(C[N@H+]2CCC[C@@H]([C@@H]3CCOC3)C2)cc1Cl ZINC000761516155 622014129 /nfs/dbraw/zinc/01/41/29/622014129.db2.gz ZBOJYWVEZLAQPE-ZIAGYGMSSA-N 1 1 324.808 3.497 20 5 DGBDMO C[C@H]1CC2(CCC2)C[N@H+]1Cn1ncc2ccc([N+](=O)[O-])cc21 ZINC000762137959 622056725 /nfs/dbraw/zinc/05/67/25/622056725.db2.gz AGXATRWEKUQZMK-LBPRGKRZSA-N 1 1 300.362 3.167 20 5 DGBDMO C[N@H+]1CC[C@H]2CN(c3ccc(C(F)F)cc3[N+](=O)[O-])CC[C@H]21 ZINC000866206237 622066015 /nfs/dbraw/zinc/06/60/15/622066015.db2.gz CSQIRPRLJAKIEP-NWDGAFQWSA-N 1 1 311.332 3.063 20 5 DGBDMO C[C@@H](Cc1ccc(F)cc1[N+](=O)[O-])[NH2+][C@@H]1CCCC1(F)F ZINC000866355878 622101938 /nfs/dbraw/zinc/10/19/38/622101938.db2.gz GAJSRUMRDBXDOQ-TVQRCGJNSA-N 1 1 302.296 3.442 20 5 DGBDMO CC[N@@H+](Cn1nc(C)c2cc([N+](=O)[O-])ccc21)C1CCCC1 ZINC000764900580 622231314 /nfs/dbraw/zinc/23/13/14/622231314.db2.gz FKCFAUDCOKOVCQ-UHFFFAOYSA-N 1 1 302.378 3.475 20 5 DGBDMO CC[C@@]1(C)CC[N@@H+](Cn2nc(C)c3cc([N+](=O)[O-])ccc32)C1 ZINC000765076463 622244094 /nfs/dbraw/zinc/24/40/94/622244094.db2.gz YTTDGYYJTDSFEV-INIZCTEOSA-N 1 1 302.378 3.332 20 5 DGBDMO Cc1cc(C)c(COC(=O)c2ccc([N+](=O)[O-])s2)c(C)[nH+]1 ZINC000869306729 622341751 /nfs/dbraw/zinc/34/17/51/622341751.db2.gz JZJFNOFNVAPGRK-UHFFFAOYSA-N 1 1 306.343 3.334 20 5 DGBDMO O=[N+]([O-])c1cnn(C[N@@H+]2CCC[C@H]2CCCc2ccccc2)c1 ZINC000767763570 622420691 /nfs/dbraw/zinc/42/06/91/622420691.db2.gz VAKCMMJNEIJFKS-MRXNPFEDSA-N 1 1 314.389 3.236 20 5 DGBDMO O=[N+]([O-])c1cnn(C[N@H+]2CCC[C@H]2CCCc2ccccc2)c1 ZINC000767763570 622420692 /nfs/dbraw/zinc/42/06/92/622420692.db2.gz VAKCMMJNEIJFKS-MRXNPFEDSA-N 1 1 314.389 3.236 20 5 DGBDMO CN(Cc1ccc(C[NH+](C)C)cc1)Cc1ccc([N+](=O)[O-])cc1 ZINC000768337880 622451134 /nfs/dbraw/zinc/45/11/34/622451134.db2.gz WQILSHOMCSPLME-UHFFFAOYSA-N 1 1 313.401 3.288 20 5 DGBDMO CC(C)[N@H+]1CCCN(Cc2ccc(Cl)c([N+](=O)[O-])c2)CC1 ZINC000768542759 622463861 /nfs/dbraw/zinc/46/38/61/622463861.db2.gz YYDKYXPGTOYXDX-UHFFFAOYSA-N 1 1 311.813 3.164 20 5 DGBDMO Cc1[nH+]ccn1CCCCOC(=O)c1ccc(C)c([N+](=O)[O-])c1 ZINC000769082009 622497155 /nfs/dbraw/zinc/49/71/55/622497155.db2.gz JRNZZMHHOPUEDA-UHFFFAOYSA-N 1 1 317.345 3.045 20 5 DGBDMO CSc1ccc([N+](=O)[O-])cc1[C@H](C)[NH2+]Cc1cnn(C)c1C ZINC000872051611 622776612 /nfs/dbraw/zinc/77/66/12/622776612.db2.gz LZCDEUBPPJFSIW-JTQLQIEISA-N 1 1 320.418 3.209 20 5 DGBDMO C[C@H](NCC[C@@H]1CCC[N@H+](C)C1)c1c(F)cccc1[N+](=O)[O-] ZINC000872077769 622793291 /nfs/dbraw/zinc/79/32/91/622793291.db2.gz AXTBSPZDRBSXJR-STQMWFEESA-N 1 1 309.385 3.116 20 5 DGBDMO C[C@H](NCC[C@@H]1CCC[N@@H+](C)C1)c1c(F)cccc1[N+](=O)[O-] ZINC000872077769 622793296 /nfs/dbraw/zinc/79/32/96/622793296.db2.gz AXTBSPZDRBSXJR-STQMWFEESA-N 1 1 309.385 3.116 20 5 DGBDMO C[C@@H](NC[C@@H]1CCCC[N@@H+](C)C1)c1c(F)cccc1[N+](=O)[O-] ZINC000872087886 622798151 /nfs/dbraw/zinc/79/81/51/622798151.db2.gz LQOFNDHOBAAIAR-OLZOCXBDSA-N 1 1 309.385 3.116 20 5 DGBDMO Cc1nccnc1[C@@H](C)[NH2+][C@@H](C)c1cccc([N+](=O)[O-])c1C ZINC000872134600 622827281 /nfs/dbraw/zinc/82/72/81/622827281.db2.gz SIQXJFSFFWDLKT-WCQYABFASA-N 1 1 300.362 3.413 20 5 DGBDMO CC1(C)[C@H]2[C@H](CCC[N@@H+]2Cc2ccc(Cl)cc2[N+](=O)[O-])[C@@H]1O ZINC000872257502 622870285 /nfs/dbraw/zinc/87/02/85/622870285.db2.gz JFDVLVFMELGINJ-CFVMTHIKSA-N 1 1 324.808 3.230 20 5 DGBDMO CC1(C)[C@H]2[C@H](CCC[N@H+]2Cc2ccc(Cl)cc2[N+](=O)[O-])[C@@H]1O ZINC000872257502 622870290 /nfs/dbraw/zinc/87/02/90/622870290.db2.gz JFDVLVFMELGINJ-CFVMTHIKSA-N 1 1 324.808 3.230 20 5 DGBDMO Cc1ccc(C)c([C@@H]2CCC[N@@H+]2Cn2cc([N+](=O)[O-])cn2)c1 ZINC000124039278 622882443 /nfs/dbraw/zinc/88/24/43/622882443.db2.gz WKZHTVFVPBWDGY-INIZCTEOSA-N 1 1 300.362 3.203 20 5 DGBDMO Cc1ccc(C)c([C@@H]2CCC[N@H+]2Cn2cc([N+](=O)[O-])cn2)c1 ZINC000124039278 622882445 /nfs/dbraw/zinc/88/24/45/622882445.db2.gz WKZHTVFVPBWDGY-INIZCTEOSA-N 1 1 300.362 3.203 20 5 DGBDMO COc1cccc(C[NH2+][C@@H](C)c2ccccc2[N+](=O)[O-])c1OC ZINC000873183954 623064691 /nfs/dbraw/zinc/06/46/91/623064691.db2.gz SQSSASXRIFQUCJ-LBPRGKRZSA-N 1 1 316.357 3.463 20 5 DGBDMO C[C@H]1CCC[N@H+](Cn2ncc3cc([N+](=O)[O-])cc(Cl)c32)C1 ZINC000774636693 623168580 /nfs/dbraw/zinc/16/85/80/623168580.db2.gz WRFBRQODBYATRY-JTQLQIEISA-N 1 1 308.769 3.287 20 5 DGBDMO C[C@H]1CCC[N@@H+](Cn2ncc3cc([N+](=O)[O-])cc(Cl)c32)C1 ZINC000774636693 623168582 /nfs/dbraw/zinc/16/85/82/623168582.db2.gz WRFBRQODBYATRY-JTQLQIEISA-N 1 1 308.769 3.287 20 5 DGBDMO CC(C)[C@@H]1CCC[N@@H+](Cc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])C1 ZINC000775098489 623230678 /nfs/dbraw/zinc/23/06/78/623230678.db2.gz WMEBRWZONPAKNJ-GFCCVEGCSA-N 1 1 307.350 3.371 20 5 DGBDMO CCc1ccc(C[N@@H+](C)C[C@H](O)c2ccc([N+](=O)[O-])cc2)cc1 ZINC000776271315 623404995 /nfs/dbraw/zinc/40/49/95/623404995.db2.gz KKRTZCWVHYELOU-SFHVURJKSA-N 1 1 314.385 3.323 20 5 DGBDMO C[N@H+](Cc1ccc(Cl)cc1)C[C@H](O)c1ccc([N+](=O)[O-])cc1 ZINC000776271630 623405122 /nfs/dbraw/zinc/40/51/22/623405122.db2.gz MNSYQZAOVPQIBT-INIZCTEOSA-N 1 1 320.776 3.414 20 5 DGBDMO C[C@H](c1cccs1)[N@@H+](C)C[C@@H](O)c1ccc([N+](=O)[O-])cc1 ZINC000776278582 623405863 /nfs/dbraw/zinc/40/58/63/623405863.db2.gz RJVVBXXCZBVMAI-BXUZGUMPSA-N 1 1 306.387 3.383 20 5 DGBDMO CC(C)C[C@@H]1CCC[N@@H+](C[C@H](O)c2ccc([N+](=O)[O-])cc2)C1 ZINC000776278461 623406102 /nfs/dbraw/zinc/40/61/02/623406102.db2.gz SYGUKXUQQPKREA-YOEHRIQHSA-N 1 1 306.406 3.386 20 5 DGBDMO CCSCC[C@@H](C)[N@@H+](C)C[C@H](O)c1ccc([N+](=O)[O-])cc1 ZINC000776590066 623444372 /nfs/dbraw/zinc/44/43/72/623444372.db2.gz BAYKZRFVNGSTEF-DOMZBBRYSA-N 1 1 312.435 3.092 20 5 DGBDMO C[N@@H+](Cn1cc(-c2cccc([N+](=O)[O-])c2)cn1)C1CCCC1 ZINC000777950919 623589207 /nfs/dbraw/zinc/58/92/07/623589207.db2.gz LCWHDAOPEVIMRB-UHFFFAOYSA-N 1 1 300.362 3.290 20 5 DGBDMO CC(C)[C@H](C)[N@@H+](C)Cn1cc(-c2cccc([N+](=O)[O-])c2)cn1 ZINC000777955438 623589668 /nfs/dbraw/zinc/58/96/68/623589668.db2.gz RMTSZFXUBYVRDV-ZDUSSCGKSA-N 1 1 302.378 3.392 20 5 DGBDMO CC(C)[C@@H](C)[N@@H+](C)Cn1cc(-c2cccc([N+](=O)[O-])c2)cn1 ZINC000777955437 623589729 /nfs/dbraw/zinc/58/97/29/623589729.db2.gz RMTSZFXUBYVRDV-CYBMUJFWSA-N 1 1 302.378 3.392 20 5 DGBDMO C[C@@H]1CC[C@](CO)([N@@H+](C)Cc2ccc(Cl)c([N+](=O)[O-])c2)C1 ZINC000778426782 623656025 /nfs/dbraw/zinc/65/60/25/623656025.db2.gz BQBLEDCVTXGQHF-ABAIWWIYSA-N 1 1 312.797 3.231 20 5 DGBDMO CC(C)[C@H](C(=O)Oc1cc(F)cc([N+](=O)[O-])c1)[NH+]1CCCCC1 ZINC000778692830 623683454 /nfs/dbraw/zinc/68/34/54/623683454.db2.gz GMGADYLYOYIMAY-OAHLLOKOSA-N 1 1 324.352 3.150 20 5 DGBDMO Cc1ccc([N+](=O)[O-])c(C)c1C[N@@H+](C)CCC1CCOCC1 ZINC000876759767 623700221 /nfs/dbraw/zinc/70/02/21/623700221.db2.gz MGVCOCVIBRRKKW-UHFFFAOYSA-N 1 1 306.406 3.460 20 5 DGBDMO Cc1ccc([N+](=O)[O-])c(C)c1C[N@H+]1CC[C@H](C2CCOCC2)C1 ZINC000876780635 623705426 /nfs/dbraw/zinc/70/54/26/623705426.db2.gz XKHLXDMLIIMUDE-INIZCTEOSA-N 1 1 318.417 3.460 20 5 DGBDMO Cc1ccc([N+](=O)[O-])c(C)c1C[N@H+]1CCC[C@@H]1[C@@H]1CCCO1 ZINC000877507551 623916177 /nfs/dbraw/zinc/91/61/77/623916177.db2.gz PECBBRQJXSCPKQ-SJORKVTESA-N 1 1 304.390 3.355 20 5 DGBDMO Cc1ccc([N+](=O)[O-])c(C)c1C[N@H+]1CC[C@H](O)CC(C)(C)C1 ZINC000877573462 623948537 /nfs/dbraw/zinc/94/85/37/623948537.db2.gz RKWLYWRVUQCKHD-AWEZNQCLSA-N 1 1 306.406 3.195 20 5 DGBDMO C/C(=C\c1cccc([N+](=O)[O-])c1)CN1CC[N@H+](C)C(C)(C)CC1 ZINC000877701696 623997803 /nfs/dbraw/zinc/99/78/03/623997803.db2.gz VASUHUVIQVBUNR-NTCAYCPXSA-N 1 1 317.433 3.414 20 5 DGBDMO O=[N+]([O-])c1ccc(Cl)c(C[N@H+]2CC[C@@H]3CSC[C@H]3C2)c1 ZINC000877739600 624012386 /nfs/dbraw/zinc/01/23/86/624012386.db2.gz ORAKWRIHMJTAIC-ZYHUDNBSSA-N 1 1 312.822 3.433 20 5 DGBDMO CC(C)c1ccc(CN2CC[C@H]3[C@@H](CC[N@H+]3C)C2)cc1[N+](=O)[O-] ZINC000877744541 624016263 /nfs/dbraw/zinc/01/62/63/624016263.db2.gz VGNXRXIQKBSHNH-RDJZCZTQSA-N 1 1 317.433 3.244 20 5 DGBDMO Cc1nccnc1[C@@H](C)[NH2+]Cc1ccc([N+](=O)[O-])c(Cl)c1 ZINC000877827936 624059256 /nfs/dbraw/zinc/05/92/56/624059256.db2.gz ALYPRPUZCKITFE-SNVBAGLBSA-N 1 1 306.753 3.197 20 5 DGBDMO C[C@H]1CCCCC[N@H+]1Cc1nnc(-c2ccccc2[N+](=O)[O-])o1 ZINC000878106026 624171119 /nfs/dbraw/zinc/17/11/19/624171119.db2.gz KCWWTDZQTGXKCB-LBPRGKRZSA-N 1 1 316.361 3.409 20 5 DGBDMO C[C@@H]1CC[C@H](C)C[N@@H+]1Cc1nnc(-c2ccccc2[N+](=O)[O-])o1 ZINC000878154235 624192143 /nfs/dbraw/zinc/19/21/43/624192143.db2.gz WNIDEVNYBZDEGU-NWDGAFQWSA-N 1 1 316.361 3.265 20 5 DGBDMO C[C@@H]1C[C@H](C)[N@H+]1Cc1nnc(-c2ccc(Cl)cc2[N+](=O)[O-])o1 ZINC000878532551 624300249 /nfs/dbraw/zinc/30/02/49/624300249.db2.gz FUFNPUHXSNJIOA-DTORHVGOSA-N 1 1 322.752 3.281 20 5 DGBDMO C[C@@H]1C[C@H](C)[N@@H+]1Cc1nnc(-c2ccc(Cl)cc2[N+](=O)[O-])o1 ZINC000878532551 624300250 /nfs/dbraw/zinc/30/02/50/624300250.db2.gz FUFNPUHXSNJIOA-DTORHVGOSA-N 1 1 322.752 3.281 20 5 DGBDMO C[C@@H]1[C@@H](C)C[N@@H+]1Cc1nnc(-c2ccc(Cl)cc2[N+](=O)[O-])o1 ZINC000878651478 624331071 /nfs/dbraw/zinc/33/10/71/624331071.db2.gz AQDSMJDLZHICST-DTWKUNHWSA-N 1 1 322.752 3.138 20 5 DGBDMO C[C@@H]1[C@@H](C)C[N@H+]1Cc1nnc(-c2ccc(Cl)cc2[N+](=O)[O-])o1 ZINC000878651478 624331072 /nfs/dbraw/zinc/33/10/72/624331072.db2.gz AQDSMJDLZHICST-DTWKUNHWSA-N 1 1 322.752 3.138 20 5 DGBDMO O=[N+]([O-])c1ccc(C[NH2+][C@@H](CCO)c2ccco2)cc1Cl ZINC000783677116 624382751 /nfs/dbraw/zinc/38/27/51/624382751.db2.gz TYZPGNQYXYGVJS-LBPRGKRZSA-N 1 1 310.737 3.055 20 5 DGBDMO C[C@@H](CO)[N@@H+](Cc1cc([N+](=O)[O-])ccc1Cl)C1CCCC1 ZINC000805751341 624391790 /nfs/dbraw/zinc/39/17/90/624391790.db2.gz HNKMXVHNPVDXAC-NSHDSACASA-N 1 1 312.797 3.374 20 5 DGBDMO C[N@@H+](C[C@@H]1CC=CCC1)Cn1ncc2ccc([N+](=O)[O-])cc21 ZINC000784013759 624421227 /nfs/dbraw/zinc/42/12/27/624421227.db2.gz LASFTTIJWOMWNB-CYBMUJFWSA-N 1 1 300.362 3.190 20 5 DGBDMO Cc1nn(C[N@H+]2CC[C@H](c3cccc(C)c3)C2)c(C)c1[N+](=O)[O-] ZINC000784026357 624424400 /nfs/dbraw/zinc/42/44/00/624424400.db2.gz SBNUPTSXWBJVRY-INIZCTEOSA-N 1 1 314.389 3.164 20 5 DGBDMO O=[N+]([O-])c1cccc(C[N@@H+]2CCC[C@H]2[C@H](O)c2ccccc2)c1 ZINC000879242294 624459243 /nfs/dbraw/zinc/45/92/43/624459243.db2.gz YOOSHQRYPANVDM-ZWKOTPCHSA-N 1 1 312.369 3.293 20 5 DGBDMO CC(C)(O)[C@H]1CCC[N@@H+](Cc2ccc(Cl)cc2[N+](=O)[O-])C1 ZINC000879962021 624737314 /nfs/dbraw/zinc/73/73/14/624737314.db2.gz LIWCTCPROKBIJL-LBPRGKRZSA-N 1 1 312.797 3.231 20 5 DGBDMO COc1cc([N+](=O)[O-])ccc1C[N@@H+]1CC[C@@](C)(C(F)(F)F)C1 ZINC000880004805 624750210 /nfs/dbraw/zinc/75/02/10/624750210.db2.gz YALQLGOHJRMUGN-CYBMUJFWSA-N 1 1 318.295 3.378 20 5 DGBDMO COc1cc([N+](=O)[O-])ccc1C[N@H+]1CC[C@@](C)(C(F)(F)F)C1 ZINC000880004805 624750213 /nfs/dbraw/zinc/75/02/13/624750213.db2.gz YALQLGOHJRMUGN-CYBMUJFWSA-N 1 1 318.295 3.378 20 5 DGBDMO O=[N+]([O-])c1cc(Br)ccc1C[N@@H+]1CC[C@@H](CF)C1 ZINC000880300218 624902103 /nfs/dbraw/zinc/90/21/03/624902103.db2.gz PLYSCXHXZAXFAH-VIFPVBQESA-N 1 1 317.158 3.149 20 5 DGBDMO O=[N+]([O-])c1cc(Br)ccc1C[N@H+]1CC[C@@H](CF)C1 ZINC000880300218 624902106 /nfs/dbraw/zinc/90/21/06/624902106.db2.gz PLYSCXHXZAXFAH-VIFPVBQESA-N 1 1 317.158 3.149 20 5 DGBDMO O=[N+]([O-])c1ccc(C(F)(F)F)c(C[N@@H+]2CC[C@@H](CF)C2)c1 ZINC000880300851 624902194 /nfs/dbraw/zinc/90/21/94/624902194.db2.gz XSZDSUHJIDOCEN-VIFPVBQESA-N 1 1 306.259 3.405 20 5 DGBDMO O=[N+]([O-])c1ccc(C(F)(F)F)c(C[N@H+]2CC[C@@H](CF)C2)c1 ZINC000880300851 624902196 /nfs/dbraw/zinc/90/21/96/624902196.db2.gz XSZDSUHJIDOCEN-VIFPVBQESA-N 1 1 306.259 3.405 20 5 DGBDMO CO[C@@]1(C)C[C@H]([N@@H+](C)Cc2ccc([N+](=O)[O-])c(F)c2)C1(C)C ZINC000801519473 626407449 /nfs/dbraw/zinc/40/74/49/626407449.db2.gz OWIMEYUYAJTJGY-HOCLYGCPSA-N 1 1 310.369 3.369 20 5 DGBDMO CN(C)C[C@](C)(O)C[NH2+]Cc1c2ccccc2cc2ccccc21 ZINC000131373569 626632269 /nfs/dbraw/zinc/63/22/69/626632269.db2.gz WWFBUZOPVOGWHF-OAQYLSRUSA-N 1 1 322.452 3.395 20 5 DGBDMO C[C@@H](OC(=O)CC[C@@H]1CCCC[N@H+]1C)c1ccccc1[N+](=O)[O-] ZINC000803854847 626644114 /nfs/dbraw/zinc/64/41/14/626644114.db2.gz BITLOWCSQNNXIY-KGLIPLIRSA-N 1 1 320.389 3.464 20 5 DGBDMO Cc1c(COC(=O)CC[C@@H]2CCCC[N@@H+]2C)cccc1[N+](=O)[O-] ZINC000803856116 626644508 /nfs/dbraw/zinc/64/45/08/626644508.db2.gz OOOWROYLGANKDR-HNNXBMFYSA-N 1 1 320.389 3.211 20 5 DGBDMO C[C@@]1(CCCO)CCC[N@H+]1Cc1ccc([N+](=O)[O-])c(Cl)c1 ZINC000809757622 626948160 /nfs/dbraw/zinc/94/81/60/626948160.db2.gz QCFLIBGIJQQEJQ-HNNXBMFYSA-N 1 1 312.797 3.375 20 5 DGBDMO C[N@H+]1CC[C@@H]2[C@H](CCCN2Cc2ccc([N+](=O)[O-])c(Cl)c2)C1 ZINC000809767512 626949091 /nfs/dbraw/zinc/94/90/91/626949091.db2.gz NDUYGPDBLGRYNB-UKRRQHHQSA-N 1 1 323.824 3.164 20 5 DGBDMO CC(C)CCOC1CC[NH+](Cc2cccnc2[N+](=O)[O-])CC1 ZINC000885956623 627069766 /nfs/dbraw/zinc/06/97/66/627069766.db2.gz UHWBCSDWJSRVMJ-UHFFFAOYSA-N 1 1 307.394 3.017 20 5 DGBDMO COc1ccccc1C[C@H](C)[N@@H+](C)Cc1cccnc1[N+](=O)[O-] ZINC000886024069 627087113 /nfs/dbraw/zinc/08/71/13/627087113.db2.gz YGCYHHPCANTOSX-ZDUSSCGKSA-N 1 1 315.373 3.061 20 5 DGBDMO CC[C@H]([NH2+]Cc1cccnc1[N+](=O)[O-])c1ccccc1OC ZINC000886106792 627106219 /nfs/dbraw/zinc/10/62/19/627106219.db2.gz CVXIDWZZDCHABW-AWEZNQCLSA-N 1 1 301.346 3.239 20 5 DGBDMO C[N@@H+](CCc1ccccc1[N+](=O)[O-])C[C@H]1CC[C@H](C2CC2)O1 ZINC000886201418 627120346 /nfs/dbraw/zinc/12/03/46/627120346.db2.gz DLJWKPKHRZQDSB-NVXWUHKLSA-N 1 1 304.390 3.027 20 5 DGBDMO C[C@@]1(c2cccc(F)c2)CC[N@H+](Cc2cccnc2[N+](=O)[O-])C1 ZINC000886267144 627127820 /nfs/dbraw/zinc/12/78/20/627127820.db2.gz GYRDNCUSOLQIJI-QGZVFWFLSA-N 1 1 315.348 3.293 20 5 DGBDMO C[C@@]1(c2cccc(F)c2)CC[N@@H+](Cc2cccnc2[N+](=O)[O-])C1 ZINC000886267144 627127821 /nfs/dbraw/zinc/12/78/21/627127821.db2.gz GYRDNCUSOLQIJI-QGZVFWFLSA-N 1 1 315.348 3.293 20 5 DGBDMO Cc1ccccc1[C@@H](CO)[N@@H+](C)Cc1ccc([N+](=O)[O-])cc1 ZINC000886432515 627148249 /nfs/dbraw/zinc/14/82/49/627148249.db2.gz ZRMPDYSDZWWCEQ-QGZVFWFLSA-N 1 1 300.358 3.069 20 5 DGBDMO CC(C)[C@@H]([NH2+]Cc1cc([N+](=O)[O-])ccc1Cl)c1cnn(C)c1 ZINC000886551519 627161695 /nfs/dbraw/zinc/16/16/95/627161695.db2.gz JJUMHIYPOMVJBG-OAHLLOKOSA-N 1 1 322.796 3.469 20 5 DGBDMO CC(C)CCC(=O)O[C@H]1CC[N@H+](Cc2cccc([N+](=O)[O-])c2)C1 ZINC000813170031 627461743 /nfs/dbraw/zinc/46/17/43/627461743.db2.gz CHKCYYMFDAYTHL-INIZCTEOSA-N 1 1 320.389 3.149 20 5 DGBDMO CC(C)CCC(=O)O[C@H]1CC[N@@H+](Cc2cccc([N+](=O)[O-])c2)C1 ZINC000813170031 627461745 /nfs/dbraw/zinc/46/17/45/627461745.db2.gz CHKCYYMFDAYTHL-INIZCTEOSA-N 1 1 320.389 3.149 20 5 DGBDMO Cc1csc([C@H](C)[NH2+][C@@H](C)c2ccc(N)c([N+](=O)[O-])c2)n1 ZINC000815574203 627686237 /nfs/dbraw/zinc/68/62/37/627686237.db2.gz HYKUEEPATDEAMR-UWVGGRQHSA-N 1 1 306.391 3.354 20 5 DGBDMO Cc1c(CN[C@@H]2CC[NH2+]C[C@@H]2C2CCCC2)cccc1[N+](=O)[O-] ZINC000925659011 627772115 /nfs/dbraw/zinc/77/21/15/627772115.db2.gz RUVCIUBAVPQZES-IAGOWNOFSA-N 1 1 317.433 3.161 20 5 DGBDMO O=[N+]([O-])c1ccc([C@@H](O)C[N@H+]2CC[C@@H](C3CCCC3)C2)cc1 ZINC000817283417 627877908 /nfs/dbraw/zinc/87/79/08/627877908.db2.gz VMMKWECNUPLAIK-WBVHZDCISA-N 1 1 304.390 3.140 20 5 DGBDMO O=[N+]([O-])c1ccc(C[N@@H+]2CCC[C@H](CCO)CC2)cc1Cl ZINC000817419900 627898049 /nfs/dbraw/zinc/89/80/49/627898049.db2.gz ZGHYJSAVHMJSCC-LBPRGKRZSA-N 1 1 312.797 3.233 20 5 DGBDMO C[C@H](c1ccccc1[N+](=O)[O-])[N@@H+](C)C[C@@](C)(O)c1ccccc1 ZINC000823591743 628577593 /nfs/dbraw/zinc/57/75/93/628577593.db2.gz MZSZHURAWQWKLO-RDTXWAMCSA-N 1 1 314.385 3.495 20 5 DGBDMO COC[C@@H]1CCC[N@@H+](Cc2ccc([N+](=O)[O-])c(Cl)c2)CC1 ZINC000825322041 628749019 /nfs/dbraw/zinc/74/90/19/628749019.db2.gz VSTVEDUOOWEWTG-GFCCVEGCSA-N 1 1 312.797 3.497 20 5 DGBDMO COC[C@@H]1CCC[N@@H+](Cc2cc([N+](=O)[O-])ccc2Cl)CC1 ZINC000825322051 628749144 /nfs/dbraw/zinc/74/91/44/628749144.db2.gz WIDGUOVBAPBHBF-GFCCVEGCSA-N 1 1 312.797 3.497 20 5 DGBDMO CO[C@H]1C[C@@H]([N@@H+](C)Cc2ccc([N+](=O)[O-])c(F)c2)C12CCC2 ZINC000832209407 629450704 /nfs/dbraw/zinc/45/07/04/629450704.db2.gz HZXLDRCACPPYMF-CABCVRRESA-N 1 1 308.353 3.123 20 5 DGBDMO CC(C)(C)C[C@@H]1CC[N@@H+](C[C@@H](O)c2ccc([N+](=O)[O-])cc2)C1 ZINC000832727679 629508453 /nfs/dbraw/zinc/50/84/53/629508453.db2.gz WLGVTWNPVSWRDB-XJKSGUPXSA-N 1 1 306.406 3.386 20 5 DGBDMO O=[N+]([O-])c1ccc2cnn(C[N@H+]3CCC[C@@H]3C3CCC3)c2c1 ZINC000102885994 630302676 /nfs/dbraw/zinc/30/26/76/630302676.db2.gz KUVNSOCOBMVJEQ-OAHLLOKOSA-N 1 1 300.362 3.167 20 5 DGBDMO CN(CC[C@@H]1CCC[NH2+]C1)Cc1cc([N+](=O)[O-])ccc1Cl ZINC000842471779 630538804 /nfs/dbraw/zinc/53/88/04/630538804.db2.gz ZGUSGDGOXFURBA-LBPRGKRZSA-N 1 1 311.813 3.070 20 5 DGBDMO Cc1ccc(C(=O)OC[C@@H]2CCC[N@H+](C(C)C)C2)cc1[N+](=O)[O-] ZINC000842835715 630582707 /nfs/dbraw/zinc/58/27/07/630582707.db2.gz YUJZHIGJONWJSY-CQSZACIVSA-N 1 1 320.389 3.180 20 5 DGBDMO CC(C)c1ccc(C(=O)OCC[C@H]2CC[N@@H+](C)C2)cc1[N+](=O)[O-] ZINC000847822052 631548077 /nfs/dbraw/zinc/54/80/77/631548077.db2.gz SQLRLZMPTHDEFM-CYBMUJFWSA-N 1 1 320.389 3.217 20 5 DGBDMO C[C@@H]1C[C@H](C)C[N@@H+]1Cn1cc(-c2ccccc2[N+](=O)[O-])cn1 ZINC000848479433 631667297 /nfs/dbraw/zinc/66/72/97/631667297.db2.gz AFXAJJQLLNIETH-QWHCGFSZSA-N 1 1 300.362 3.146 20 5 DGBDMO CC1=C[C@H](C)C[N@@H+](Cn2cc(-c3ccccc3[N+](=O)[O-])cn2)C1 ZINC000848487227 631669758 /nfs/dbraw/zinc/66/97/58/631669758.db2.gz POJALUCNUXVWBO-ZDUSSCGKSA-N 1 1 312.373 3.314 20 5 DGBDMO CC(=O)c1cc([N+](=O)[O-])ccc1N[C@@H]1CCC[N@H+]2CCCC[C@H]12 ZINC000848787864 631748614 /nfs/dbraw/zinc/74/86/14/631748614.db2.gz XKRHXUOCVCYKAB-IAGOWNOFSA-N 1 1 317.389 3.226 20 5 DGBDMO CC1(C)OC[C@H](CC[N@@H+](Cc2ccc([N+](=O)[O-])cc2)C2CC2)O1 ZINC000851883968 632513567 /nfs/dbraw/zinc/51/35/67/632513567.db2.gz ZREPUUDGPOCWDM-INIZCTEOSA-N 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ZINC001621108427 1193804072 /nfs/dbraw/zinc/80/40/72/1193804072.db2.gz OUUBKJKDWAIGTH-BHYGNILZSA-N 1 1 317.433 3.148 20 5 DGBDMO CCC[N@@H+](Cc1cccnc1[N+](=O)[O-])[C@H]1C[C@H](OCC)C1(C)C ZINC001641817399 1194872902 /nfs/dbraw/zinc/87/29/02/1194872902.db2.gz UILYUTNDQZMFQJ-GJZGRUSLSA-N 1 1 321.421 3.405 20 5 DGBDMO CCCC[N@@H+](C)CCNc1cc(OC)c([N+](=O)[O-])cc1Cl ZINC001642244816 1194895464 /nfs/dbraw/zinc/89/54/64/1194895464.db2.gz WHZJCHDTIIWOEM-UHFFFAOYSA-N 1 1 315.801 3.401 20 5 DGBDMO CC(C)(C)[N@@H+](CC[N+](=O)[O-])Cc1ccc(Br)cc1 ZINC001643919663 1195064447 /nfs/dbraw/zinc/06/44/47/1195064447.db2.gz HLWXYXFUKNGXOS-UHFFFAOYSA-N 1 1 315.211 3.326 20 5 DGBDMO CC(C)[C@H]1CN(Cc2cc(Cl)ccc2[N+](=O)[O-])CC[N@H+]1C ZINC001644200952 1195088956 /nfs/dbraw/zinc/08/89/56/1195088956.db2.gz OBQRPRTYOKPGDB-OAHLLOKOSA-N 1 1 311.813 3.020 20 5 DGBDMO CO[C@]1(C)C[C@H]([N@@H+](C)CCOc2ccccc2[N+](=O)[O-])C1(C)C ZINC001644692141 1195127415 /nfs/dbraw/zinc/12/74/15/1195127415.db2.gz ZFEMVRAXJDTSDE-DOTOQJQBSA-N 1 1 322.405 3.109 20 5 DGBDMO O=[N+]([O-])c1ccc(OCCC[N@H+]2CCSC[C@@H]2C2CC2)cc1 ZINC001645756236 1195200277 /nfs/dbraw/zinc/20/02/77/1195200277.db2.gz NHGBLCYHNQPTMU-MRXNPFEDSA-N 1 1 322.430 3.191 20 5 DGBDMO C[N@@H+](CCOc1ccc([N+](=O)[O-])cc1)C1CC(OC(C)(C)C)C1 ZINC001646258577 1195218734 /nfs/dbraw/zinc/21/87/34/1195218734.db2.gz FMFHFGMTODYEAQ-UHFFFAOYSA-N 1 1 322.405 3.252 20 5 DGBDMO CC[C@@H]1CC[C@@H](C)[N@@H+](CCOc2ccc(OC)cc2[N+](=O)[O-])C1 ZINC001647780597 1195253648 /nfs/dbraw/zinc/25/36/48/1195253648.db2.gz HUOWPIAIYVNXBF-ZIAGYGMSSA-N 1 1 322.405 3.493 20 5 DGBDMO COc1ccc2c(c1)CC[N@@H+](Cc1ccc(C)c([N+](=O)[O-])c1)C2 ZINC001647780330 1195253660 /nfs/dbraw/zinc/25/36/60/1195253660.db2.gz BDUCOVQMKFHPQZ-UHFFFAOYSA-N 1 1 312.369 3.470 20 5 DGBDMO COc1ccc2c(c1)CC[N@H+](Cc1ccc(C)c([N+](=O)[O-])c1)C2 ZINC001647780330 1195253662 /nfs/dbraw/zinc/25/36/62/1195253662.db2.gz BDUCOVQMKFHPQZ-UHFFFAOYSA-N 1 1 312.369 3.470 20 5 DGBDMO O=[N+]([O-])c1ccc(C[N@@H+]2CC[C@H](O)[C@H]3CCCC[C@@H]32)c(Cl)c1 ZINC001648114089 1195277533 /nfs/dbraw/zinc/27/75/33/1195277533.db2.gz LXHZVKOKZJJNIJ-BPUTZDHNSA-N 1 1 324.808 3.374 20 5 DGBDMO Cc1ccc([N+](=O)[O-])cc1[C@@H](C)[N@H+]1CC[C@H](c2cnccn2)C1 ZINC001648442328 1195300931 /nfs/dbraw/zinc/30/09/31/1195300931.db2.gz GYZCFGVNLXOQRP-KGLIPLIRSA-N 1 1 312.373 3.244 20 5 DGBDMO COc1ccc(C[NH2+][C@H](C)c2ncccc2C)cc1[N+](=O)[O-] ZINC001648602071 1195312777 /nfs/dbraw/zinc/31/27/77/1195312777.db2.gz WAZKDXXGCTUDSI-GFCCVEGCSA-N 1 1 301.346 3.158 20 5 DGBDMO Nc1c(F)cccc1C[NH2+]Cc1cc([N+](=O)[O-])ccc1Cl ZINC001650767128 1195380436 /nfs/dbraw/zinc/38/04/36/1195380436.db2.gz RBCVAPFIGJYPHM-UHFFFAOYSA-N 1 1 309.728 3.259 20 5 DGBDMO C[N@H+]1CCN(c2c(F)cccc2[N+](=O)[O-])CC12CCCCC2 ZINC001651079126 1195411046 /nfs/dbraw/zinc/41/10/46/1195411046.db2.gz GYBGNRRBCWBNGS-UHFFFAOYSA-N 1 1 307.369 3.189 20 5 DGBDMO CCC[N@@H+](CC)C[C@@H](C)Nc1nc2c(cc1[N+](=O)[O-])CCCC2 ZINC001651111587 1195416331 /nfs/dbraw/zinc/41/63/31/1195416331.db2.gz QIYAZXCBWXOVPW-CYBMUJFWSA-N 1 1 320.437 3.401 20 5 DGBDMO C[C@@H]1[C@@H](Nc2cc(C(F)(F)F)ccc2[N+](=O)[O-])CC[N@H+]1C ZINC001651434765 1195460737 /nfs/dbraw/zinc/46/07/37/1195460737.db2.gz CPXDTYPHQIGOHH-SCZZXKLOSA-N 1 1 303.284 3.118 20 5 DGBDMO Cc1ccc(NCCNc2ccc3ncccc3c2[N+](=O)[O-])[nH+]c1 ZINC001651443849 1195462985 /nfs/dbraw/zinc/46/29/85/1195462985.db2.gz NUIRFDUTUZCQRX-UHFFFAOYSA-N 1 1 323.356 3.370 20 5 DGBDMO Cc1cc(N2C[C@]34C[N@H+](C)C[C@@]3(C2)CCCC4)ccc1[N+](=O)[O-] ZINC001652335959 1195584939 /nfs/dbraw/zinc/58/49/39/1195584939.db2.gz BQDXLMYBOSTKTG-HDICACEKSA-N 1 1 315.417 3.215 20 5 DGBDMO CC(C)c1ncc(CNC(=O)c2ccc([N+](=O)[O-])cc2Cl)[nH]1 ZINC001652740815 1195645103 /nfs/dbraw/zinc/64/51/03/1195645103.db2.gz PKFONGRGEFIAJP-UHFFFAOYSA-N 1 1 322.752 3.025 20 5 DGBDMO Cc1ncc([N+](=O)[O-])n1CC[N@@H+]1CCCC[C@@H]1CCC(C)C ZINC001652814520 1195655308 /nfs/dbraw/zinc/65/53/08/1195655308.db2.gz DXPBUDHYAZUVOD-OAHLLOKOSA-N 1 1 308.426 3.390 20 5 DGBDMO C[C@@H](C(=O)Nc1cccc([N+](=O)[O-])c1)[N@H+]1C[C@H](C)CC(C)(C)C1 ZINC001653868229 1195756154 /nfs/dbraw/zinc/75/61/54/1195756154.db2.gz LRKDXKYNCNUGKE-OLZOCXBDSA-N 1 1 319.405 3.290 20 5 DGBDMO COc1nscc1C[NH2+][C@H](C)c1ccc(C)c([N+](=O)[O-])c1 ZINC001653908073 1195759278 /nfs/dbraw/zinc/75/92/78/1195759278.db2.gz YVDLOFZWZXMHLP-SNVBAGLBSA-N 1 1 307.375 3.219 20 5 DGBDMO Cc1cccc2c1C[N@@H+](CCOc1cccc([N+](=O)[O-])c1)CC2 ZINC001654130585 1195776725 /nfs/dbraw/zinc/77/67/25/1195776725.db2.gz UHKGAMKXOZQUGG-UHFFFAOYSA-N 1 1 312.369 3.340 20 5 DGBDMO CC(C)[C@H](O)CC[N@H+]1CCC[C@@H](c2ccc([N+](=O)[O-])cc2)C1 ZINC001654498741 1195810265 /nfs/dbraw/zinc/81/02/65/1195810265.db2.gz HXFVNCFJSQZICD-NVXWUHKLSA-N 1 1 306.406 3.181 20 5 DGBDMO Cc1c(C[NH2+][C@H](C)CN2C[C@H](C)C[C@@H](C)C2)cccc1[N+](=O)[O-] ZINC001655404294 1195913340 /nfs/dbraw/zinc/91/33/40/1195913340.db2.gz UXNYBEAGGWBIPM-RBSFLKMASA-N 1 1 319.449 3.359 20 5 DGBDMO Cc1ccccc1[C@H](CO)[N@@H+](C)Cc1cccc([N+](=O)[O-])c1C ZINC001655599349 1195938546 /nfs/dbraw/zinc/93/85/46/1195938546.db2.gz RRLKTSBAGQMMLK-SFHVURJKSA-N 1 1 314.385 3.377 20 5 DGBDMO Cc1ccc(NCCNc2nc3ccccc3cc2[N+](=O)[O-])[nH+]c1 ZINC001655881165 1195973536 /nfs/dbraw/zinc/97/35/36/1195973536.db2.gz GRBOLIKLKGQOJV-UHFFFAOYSA-N 1 1 323.356 3.370 20 5 DGBDMO O=[N+]([O-])c1ccc(Cl)c(Cl)c1N[C@H]1C[NH+]2CCC1CC2 ZINC001655945031 1195981030 /nfs/dbraw/zinc/98/10/30/1195981030.db2.gz FRLWXBZMWAIEED-JTQLQIEISA-N 1 1 316.188 3.408 20 5 DGBDMO O=[N+]([O-])c1ccc(CC[N@H+]2CCCC[C@H]2[C@H]2CCCO2)cc1 ZINC001656506023 1196045337 /nfs/dbraw/zinc/04/53/37/1196045337.db2.gz GGYXDVXLDNHSIA-DLBZAZTESA-N 1 1 304.390 3.171 20 5 DGBDMO C[C@@H]([NH2+]Cc1cn2cccc(F)c2n1)c1ccc([N+](=O)[O-])cc1 ZINC001656956981 1196087233 /nfs/dbraw/zinc/08/72/33/1196087233.db2.gz YXGNQBFYUFBSTF-LLVKDONJSA-N 1 1 314.320 3.232 20 5 DGBDMO CO[C@](C)(C[N@@H+](Cc1cccc([N+](=O)[O-])c1)C1CC1)C1CC1 ZINC001658258772 1196230420 /nfs/dbraw/zinc/23/04/20/1196230420.db2.gz BQVUUHQWELYHIV-QGZVFWFLSA-N 1 1 304.390 3.374 20 5 DGBDMO C[N@H+]1CCN(Cc2ccc([N+](=O)[O-])cc2Cl)CCC1(C)C ZINC001658648711 1196284513 /nfs/dbraw/zinc/28/45/13/1196284513.db2.gz GEDTYUKDUXIIBD-UHFFFAOYSA-N 1 1 311.813 3.164 20 5 DGBDMO COc1ccc(C[N@@H+](C)CCc2cccc([N+](=O)[O-])c2)c(F)c1 ZINC001658976898 1196327428 /nfs/dbraw/zinc/32/74/28/1196327428.db2.gz RJLHIIQSNLTUMP-UHFFFAOYSA-N 1 1 318.348 3.417 20 5 DGBDMO Cc1ncc([N+](=O)[O-])n1CC[N@H+]1CCC[C@H](C2CCCCC2)C1 ZINC001659563642 1196396313 /nfs/dbraw/zinc/39/63/13/1196396313.db2.gz XRJXTJXYZYKBAS-INIZCTEOSA-N 1 1 320.437 3.392 20 5 DGBDMO C[C@@H]1CN(Cc2ccc(F)cc2[N+](=O)[O-])CC[N@H+]1C1CCCC1 ZINC001660165065 1196453517 /nfs/dbraw/zinc/45/35/17/1196453517.db2.gz DWVLQCXLWVXHKM-CYBMUJFWSA-N 1 1 321.396 3.183 20 5 DGBDMO O=[N+]([O-])c1cc(Cl)ccc1CNC[C@@H]1CC[N@H+]1C1CCCC1 ZINC001660449340 1196485276 /nfs/dbraw/zinc/48/52/76/1196485276.db2.gz JQGRNTFJQPBMHE-HNNXBMFYSA-N 1 1 323.824 3.355 20 5 DGBDMO O=[N+]([O-])c1cc(Cl)ccc1C[NH2+]C[C@@H]1CCN1C1CCCC1 ZINC001660449340 1196485278 /nfs/dbraw/zinc/48/52/78/1196485278.db2.gz JQGRNTFJQPBMHE-HNNXBMFYSA-N 1 1 323.824 3.355 20 5 DGBDMO COc1ccc([N+](=O)[O-])cc1C[NH2+]Cc1ccc(C)c(F)c1 ZINC001662034247 1196676353 /nfs/dbraw/zinc/67/63/53/1196676353.db2.gz ARBWYGICNSZXEQ-UHFFFAOYSA-N 1 1 304.321 3.341 20 5 DGBDMO C/C=C\C[C@H]1CCC[N@H+](Cc2ccc(O)c(OC)c2[N+](=O)[O-])C1 ZINC001665377778 1197130187 /nfs/dbraw/zinc/13/01/87/1197130187.db2.gz GNFRXENRCJSWGX-SCOBNMCVSA-N 1 1 320.389 3.487 20 5 DGBDMO C[N@H+]1CCC[C@H](Oc2ccc(C(F)(F)F)cc2[N+](=O)[O-])C1 ZINC000248101001 1203794727 /nfs/dbraw/zinc/79/47/27/1203794727.db2.gz DWGWZXGBJZUGAJ-JTQLQIEISA-N 1 1 304.268 3.087 20 5 DGBDMO CCO[C@@H]1C[C@@H]([N@@H+](C)Cc2ccc(F)cc2[N+](=O)[O-])C1(C)C ZINC001167473051 1082202575 /nfs/dbraw/zinc/20/25/75/1082202575.db2.gz FNKPFJLPGLXPEA-HUUCEWRRSA-N 1 1 310.369 3.369 20 5 DGBDMO CCO[C@H]1CCC[N@H+]([C@@H](C)Cc2ccc(OC)cc2[N+](=O)[O-])C1 ZINC001170344654 1082355988 /nfs/dbraw/zinc/35/59/88/1082355988.db2.gz DRVMAANMDPBYED-BBRMVZONSA-N 1 1 322.405 3.035 20 5 DGBDMO COc1ccc(C[C@@H](C)[N@H+]2CCC[C@H](CF)C2)c([N+](=O)[O-])c1 ZINC001170345231 1082356860 /nfs/dbraw/zinc/35/68/60/1082356860.db2.gz IJAWLKKEPAWVBQ-CHWSQXEVSA-N 1 1 310.369 3.216 20 5 DGBDMO COc1ccc(C[C@@H](C)[N@H+]2CCC[C@H](OC)CC2)c([N+](=O)[O-])c1 ZINC001170351002 1082357813 /nfs/dbraw/zinc/35/78/13/1082357813.db2.gz DGDVXFYSKUVXKW-HIFRSBDPSA-N 1 1 322.405 3.035 20 5 DGBDMO C[C@H]1CCCC[N@H+]1CCCNc1ccc2c([N+](=O)[O-])c[nH]c2n1 ZINC001167751641 1083624867 /nfs/dbraw/zinc/62/48/67/1083624867.db2.gz MUSDXXJBBAEJGY-LBPRGKRZSA-N 1 1 317.393 3.148 20 5 DGBDMO CCOc1cc(N2CC[N@@H+](C)[C@H](C(C)(C)C)C2)ccc1[N+](=O)[O-] ZINC001187446038 1084804653 /nfs/dbraw/zinc/80/46/53/1084804653.db2.gz UJTSKSVDCMHQTL-INIZCTEOSA-N 1 1 321.421 3.160 20 5 DGBDMO Cc1cc(Cl)nc(N[C@@H]2C[C@H]3CCC[C@@H](C2)[N@@H+]3C)c1[N+](=O)[O-] ZINC001160468929 1088822818 /nfs/dbraw/zinc/82/28/18/1088822818.db2.gz NJKJVLOSYSYJAQ-CNDDSTCGSA-N 1 1 324.812 3.379 20 5 DGBDMO Cc1cc([N+](=O)[O-])c(NCc2[nH+]cn3ccccc23)nc1Cl ZINC001161684555 1089345034 /nfs/dbraw/zinc/34/50/34/1089345034.db2.gz VSUMHLOXAXQBQO-UHFFFAOYSA-N 1 1 317.736 3.211 20 5 DGBDMO C[N@H+]1CCC[C@](C)(Nc2ccc3cccc([N+](=O)[O-])c3n2)C1 ZINC001162341327 1089684137 /nfs/dbraw/zinc/68/41/37/1089684137.db2.gz KPFFTUOUUJSGJF-INIZCTEOSA-N 1 1 300.362 3.039 20 5 DGBDMO CC(C)[N@H+]1CC[C@H](Nc2ccc3[nH]cc([N+](=O)[O-])c3n2)[C@H](C)C1 ZINC001163365446 1090165570 /nfs/dbraw/zinc/16/55/70/1090165570.db2.gz JBWDQPAOBAXTHG-NEPJUHHUSA-N 1 1 317.393 3.002 20 5 DGBDMO Cc1[nH+]ccn1CCNc1nccc2c1ccc(C)c2[N+](=O)[O-] ZINC001163919490 1090286967 /nfs/dbraw/zinc/28/69/67/1090286967.db2.gz FVFPATYIXMGRGJ-UHFFFAOYSA-N 1 1 311.345 3.068 20 5 DGBDMO C[N@H+]1CCC[C@@H](CCNc2cc([N+](=O)[O-])cc3cc[nH]c32)C1 ZINC001165278607 1090495111 /nfs/dbraw/zinc/49/51/11/1090495111.db2.gz IISMAJHCLSOBTE-LBPRGKRZSA-N 1 1 302.378 3.220 20 5 DGBDMO C[C@@H]1CCCN(c2cc(/C=C/[NH+](C)C)c([N+](=O)[O-])cn2)[C@H]1C ZINC001166612566 1090628991 /nfs/dbraw/zinc/62/89/91/1090628991.db2.gz OQHNKAIDTOOCBJ-PYISVCGKSA-N 1 1 304.394 3.147 20 5 DGBDMO COc1nc(C[NH2+][C@H](C)c2ccccc2[N+](=O)[O-])ccc1C ZINC001207432589 1091966363 /nfs/dbraw/zinc/96/63/63/1091966363.db2.gz AUAWFXKWFFNQEZ-GFCCVEGCSA-N 1 1 301.346 3.158 20 5 DGBDMO C[C@H]1C[N@@H+](Cc2c3ccccc3cc3ccccc32)CC(=O)N1 ZINC001141723527 1092324753 /nfs/dbraw/zinc/32/47/53/1092324753.db2.gz ZXGHUTZJVLQZSL-AWEZNQCLSA-N 1 1 304.393 3.313 20 5 DGBDMO O=[N+]([O-])C[C@@H]1CC[C@H]([N@H+]2CCC[C@@H](Cc3ccccc3)C2)C1 ZINC001169027891 1092493919 /nfs/dbraw/zinc/49/39/19/1092493919.db2.gz RMZOOGJVWFYKIW-KSZLIROESA-N 1 1 302.418 3.387 20 5 DGBDMO O=[N+]([O-])C[C@@H]1CC[C@@H]([N@@H+](Cc2ccccc2)C2CCOCC2)C1 ZINC001169037475 1092498842 /nfs/dbraw/zinc/49/88/42/1092498842.db2.gz RYEGCGQESFHRTB-SJLPKXTDSA-N 1 1 318.417 3.113 20 5 DGBDMO COc1ccccc1[C@@H]1CCC[N@H+]1[C@@H]1CC[C@@H](C[N+](=O)[O-])C1 ZINC001169038326 1092500454 /nfs/dbraw/zinc/50/04/54/1092500454.db2.gz YCZXWGJLALXMHQ-FMKPAKJESA-N 1 1 304.390 3.278 20 5 DGBDMO C[N@H+]([C@@H]1CC[C@H](C[N+](=O)[O-])C1)C1CCN(C2CCCCC2)CC1 ZINC001169054569 1092511917 /nfs/dbraw/zinc/51/19/17/1092511917.db2.gz MRINJYZXCNORNE-MAUKXSAKSA-N 1 1 323.481 3.161 20 5 DGBDMO C[N@@H+]([C@@H]1CC[C@H](C[N+](=O)[O-])C1)C1CCN(C2CCCCC2)CC1 ZINC001169054569 1092511930 /nfs/dbraw/zinc/51/19/30/1092511930.db2.gz MRINJYZXCNORNE-MAUKXSAKSA-N 1 1 323.481 3.161 20 5 DGBDMO C[N@H+]1CC[C@H]2[C@@H]1CCN2Cc1ccc2ccc3cccnc3c2n1 ZINC001276597128 1092568757 /nfs/dbraw/zinc/56/87/57/1092568757.db2.gz HMGYSQDNERPUNB-ROUUACIJSA-N 1 1 318.424 3.061 20 5 DGBDMO CN1CC[C@H]2[C@@H]1CC[N@@H+]2Cc1ccc2ccc3cccnc3c2n1 ZINC001276597128 1092568766 /nfs/dbraw/zinc/56/87/66/1092568766.db2.gz HMGYSQDNERPUNB-ROUUACIJSA-N 1 1 318.424 3.061 20 5 DGBDMO CN1CC[C@H]2[C@@H]1CC[N@H+]2Cc1ccc2ccc3cccnc3c2n1 ZINC001276597128 1092568775 /nfs/dbraw/zinc/56/87/75/1092568775.db2.gz HMGYSQDNERPUNB-ROUUACIJSA-N 1 1 318.424 3.061 20 5 DGBDMO Nc1cn[nH+]cc1Nc1c(Cl)ccc([N+](=O)[O-])c1Cl ZINC001215580790 1094007785 /nfs/dbraw/zinc/00/77/85/1094007785.db2.gz BBZPYFBQOLVPBQ-UHFFFAOYSA-N 1 1 300.105 3.017 20 5 DGBDMO O=[N+]([O-])c1cccc(N2CC[NH+](CCCC(F)(F)F)CC2)c1 ZINC001119928815 1094311062 /nfs/dbraw/zinc/31/10/62/1094311062.db2.gz DRIODADNFGANPY-UHFFFAOYSA-N 1 1 317.311 3.059 20 5 DGBDMO c1ccc2cc3cc(O[C@H]4C[C@H]5CNCC[N@H+]5C4)ccc3cc2c1 ZINC001218079083 1094589209 /nfs/dbraw/zinc/58/92/09/1094589209.db2.gz VFMRHTNWWMZBKD-FPOVZHCZSA-N 1 1 318.420 3.418 20 5 DGBDMO c1ccc2cc3cc(O[C@H]4C[C@H]5CNCC[N@@H+]5C4)ccc3cc2c1 ZINC001218079083 1094589219 /nfs/dbraw/zinc/58/92/19/1094589219.db2.gz VFMRHTNWWMZBKD-FPOVZHCZSA-N 1 1 318.420 3.418 20 5 DGBDMO O=C1C[NH2+]CC[C@@H](Oc2c3ccccc3c(O)c3ccccc32)C1 ZINC001218194440 1094651912 /nfs/dbraw/zinc/65/19/12/1094651912.db2.gz RGNRWKQXTIAQPP-CQSZACIVSA-N 1 1 321.376 3.399 20 5 DGBDMO Cc1ccc([N+](=O)[O-])c(C)c1C[N@H+]1CC[C@H]2OCCC[C@H]2C1 ZINC001336721650 1094710739 /nfs/dbraw/zinc/71/07/39/1094710739.db2.gz NIRFAYRULRBOEW-WMLDXEAASA-N 1 1 304.390 3.213 20 5 DGBDMO O=[N+]([O-])c1ccc(Cl)c(C[NH+]2CC(CC3CCOCC3)C2)c1 ZINC001338288688 1095251470 /nfs/dbraw/zinc/25/14/70/1095251470.db2.gz KXPQOGQLKZAYTN-UHFFFAOYSA-N 1 1 324.808 3.497 20 5 DGBDMO C/C(=C/c1cccc([N+](=O)[O-])c1)C[N@@H+]1CC[C@](CO)(C(C)C)C1 ZINC001117682170 1095798695 /nfs/dbraw/zinc/79/86/95/1095798695.db2.gz DAEKNQXIPVPURH-YHTSIIMFSA-N 1 1 318.417 3.339 20 5 DGBDMO C[N@H+]1CCC[C@@H](OCc2ccc([N+](=O)[O-])c3ccccc23)C1 ZINC001224205015 1096162891 /nfs/dbraw/zinc/16/28/91/1096162891.db2.gz XCQSUTIPYYPYGD-CQSZACIVSA-N 1 1 300.358 3.359 20 5 DGBDMO O=[N+]([O-])c1ccc(OCC[N@H+]2CC[C@H](C3CCCC3)C2)cc1 ZINC001171331097 1096363814 /nfs/dbraw/zinc/36/38/14/1096363814.db2.gz GJHGWQZFECJWFC-HNNXBMFYSA-N 1 1 304.390 3.486 20 5 DGBDMO C[NH+](C)CC[C@H](Oc1cc(O)ccc1[N+](=O)[O-])c1cccs1 ZINC001225489070 1096446813 /nfs/dbraw/zinc/44/68/13/1096446813.db2.gz QFDIOLVVOWAMQM-ZDUSSCGKSA-N 1 1 322.386 3.434 20 5 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Cc1c(NC(=O)CC[N@H+](C)CC2CCCC2)cccc1[N+](=O)[O-] ZINC000064020644 432007599 /nfs/dbraw/zinc/00/75/99/432007599.db2.gz OSBMVJMSYFVRDZ-UHFFFAOYSA-N 1 1 319.405 3.354 20 5 DGBDMO CO[C@H]1[C@H]2[C@H]3C[C@@H]1C[C@@H]3C[N@H+]2Cc1ccc([N+](=O)[O-])cc1Cl ZINC000286656497 219106857 /nfs/dbraw/zinc/10/68/57/219106857.db2.gz UKXDEVBSDSPWTM-BOOVAVIHSA-N 1 1 322.792 3.103 20 5 DGBDMO Cc1ncsc1C[N@@H+](C)CCCOc1ccc([N+](=O)[O-])cc1 ZINC000066562542 432018215 /nfs/dbraw/zinc/01/82/15/432018215.db2.gz ZRUSCJXDDKJFEA-UHFFFAOYSA-N 1 1 321.402 3.261 20 5 DGBDMO CC(C)C[C@H]1CCC[N@H+]1CC(=O)Nc1ccccc1[N+](=O)[O-] ZINC000130359529 432022313 /nfs/dbraw/zinc/02/23/13/432022313.db2.gz OVFWMWNXQRIHBB-CYBMUJFWSA-N 1 1 305.378 3.044 20 5 DGBDMO CC(C)Oc1ccc([N+](=O)[O-])cc1C[N@H+]1CCCC[C@H]1[C@@H](C)O ZINC000106865669 432022784 /nfs/dbraw/zinc/02/27/84/432022784.db2.gz DRJUORFXDKTCCP-CJNGLKHVSA-N 1 1 322.405 3.117 20 5 DGBDMO CC(C)Oc1ccc([N+](=O)[O-])cc1C[N@H+]1CCCC[C@@H]1[C@@H](C)O ZINC000106865668 432023051 /nfs/dbraw/zinc/02/30/51/432023051.db2.gz DRJUORFXDKTCCP-CZUORRHYSA-N 1 1 322.405 3.117 20 5 DGBDMO Cn1cc(C[NH2+]C(C)(C)c2ccccc2[N+](=O)[O-])c(C(F)F)n1 ZINC000291676241 282641761 /nfs/dbraw/zinc/64/17/61/282641761.db2.gz HDIUNZZIZJKLIM-UHFFFAOYSA-N 1 1 324.331 3.291 20 5 DGBDMO CC[C@@H](C)C[N@@H+](C)Cc1nc(-c2ccc([N+](=O)[O-])cc2)no1 ZINC000171948353 198013439 /nfs/dbraw/zinc/01/34/39/198013439.db2.gz MUKPKXGQSIJRRN-LLVKDONJSA-N 1 1 304.350 3.123 20 5 DGBDMO C[C@@H](c1nnc(-c2ccc([N+](=O)[O-])cc2)o1)[N@H+]1CCC[C@@H]1C ZINC000072875165 191247297 /nfs/dbraw/zinc/24/72/97/191247297.db2.gz JTWGGZOIRVTREN-QWRGUYRKSA-N 1 1 302.334 3.190 20 5 DGBDMO CCOC[C@H]1CCC[N@@H+](CCCOc2ccc([N+](=O)[O-])cc2)C1 ZINC000072975484 191260767 /nfs/dbraw/zinc/26/07/67/191260767.db2.gz WCNUTRRVMKQFSN-HNNXBMFYSA-N 1 1 322.405 3.112 20 5 DGBDMO Cn1cc([C@@H]2CCCC[N@@H+]2Cc2ccccc2[N+](=O)[O-])cn1 ZINC000331926298 234285827 /nfs/dbraw/zinc/28/58/27/234285827.db2.gz PBFNUGNPXKSAFP-HNNXBMFYSA-N 1 1 300.362 3.056 20 5 DGBDMO Cn1cc([C@@H]2CCCC[N@H+]2Cc2ccccc2[N+](=O)[O-])cn1 ZINC000331926298 234285832 /nfs/dbraw/zinc/28/58/32/234285832.db2.gz PBFNUGNPXKSAFP-HNNXBMFYSA-N 1 1 300.362 3.056 20 5 DGBDMO Cc1ccc([C@@H]2C[C@@H](C)CC[N@H+]2CCn2cc([N+](=O)[O-])cn2)o1 ZINC000174881986 198396844 /nfs/dbraw/zinc/39/68/44/198396844.db2.gz DDHWJIXXUJFYLQ-WFASDCNBSA-N 1 1 318.377 3.166 20 5 DGBDMO CCOc1ccc([N+](=O)[O-])cc1C[N@@H+](C)CCc1nccs1 ZINC000179067836 432037765 /nfs/dbraw/zinc/03/77/65/432037765.db2.gz MMJSHDVKTQHYKA-UHFFFAOYSA-N 1 1 321.402 3.125 20 5 DGBDMO Cc1ccc([C@H](C)[NH2+]C2CCN(C(C)C)CC2)cc1[N+](=O)[O-] ZINC000236820863 202024644 /nfs/dbraw/zinc/02/46/44/202024644.db2.gz XNBPJUBCXRMBBJ-AWEZNQCLSA-N 1 1 305.422 3.427 20 5 DGBDMO CCCC[N@@H+](CC)CCC(=O)Nc1ccc(OC)cc1[N+](=O)[O-] ZINC000132626074 432051920 /nfs/dbraw/zinc/05/19/20/432051920.db2.gz MSDOCOBWJSOACD-UHFFFAOYSA-N 1 1 323.393 3.054 20 5 DGBDMO CC[NH+](CC)[C@@H](CNCc1csc([N+](=O)[O-])c1)c1ccco1 ZINC000236853850 202038553 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/nfs/dbraw/zinc/07/16/69/238071669.db2.gz UCXLAEHGEUBLKP-UHFFFAOYSA-N 1 1 312.369 3.203 20 5 DGBDMO COc1cc([N+](=O)[O-])ccc1C[NH+]1CCC(OC(C)(C)C)CC1 ZINC000430221990 238071703 /nfs/dbraw/zinc/07/17/03/238071703.db2.gz SAAHSHKKPHYJCA-UHFFFAOYSA-N 1 1 322.405 3.383 20 5 DGBDMO Cc1cc([N+](=O)[O-])ccc1NC(=O)C[N@@H+]1CCC[C@H](C(C)C)C1 ZINC000444748422 239345533 /nfs/dbraw/zinc/34/55/33/239345533.db2.gz JMMUOCVSUJPGRU-AWEZNQCLSA-N 1 1 319.405 3.210 20 5 DGBDMO C[C@@H]1C[C@H]2CCCC[C@H]2[N@H+]1CC(=O)Nc1ccccc1[N+](=O)[O-] ZINC000246213795 202573248 /nfs/dbraw/zinc/57/32/48/202573248.db2.gz YFDGLQJLNRAPAO-UMVBOHGHSA-N 1 1 317.389 3.186 20 5 DGBDMO C[C@@H](Cc1ccccc1[N+](=O)[O-])[NH2+]CCc1ccc2cn[nH]c2c1 ZINC000449313230 240124901 /nfs/dbraw/zinc/12/49/01/240124901.db2.gz OGXOASLIUAVUMC-ZDUSSCGKSA-N 1 1 324.384 3.234 20 5 DGBDMO CCOc1ccc([N+](=O)[O-])cc1C[N@@H+]1CC[C@@H](OCC)[C@@H](C)C1 ZINC000449495974 240246185 /nfs/dbraw/zinc/24/61/85/240246185.db2.gz PDQOAIBGEHCSOV-XJKSGUPXSA-N 1 1 322.405 3.240 20 5 DGBDMO CC[N@H+](Cc1ccc(-c2ccc([N+](=O)[O-])cc2)o1)C1COC1 ZINC000449425536 240195248 /nfs/dbraw/zinc/19/52/48/240195248.db2.gz NFAGJSRPCPYIJY-UHFFFAOYSA-N 1 1 302.330 3.076 20 5 DGBDMO CC[N@@H+](Cc1ccc(-c2ccc([N+](=O)[O-])cc2)o1)C1COC1 ZINC000449425536 240195251 /nfs/dbraw/zinc/19/52/51/240195251.db2.gz NFAGJSRPCPYIJY-UHFFFAOYSA-N 1 1 302.330 3.076 20 5 DGBDMO O=[N+]([O-])c1ccccc1/C=C/C[N@@H+]1CCC[C@@H]1[C@@H]1CCC[C@@H]1O ZINC000449474010 240228697 /nfs/dbraw/zinc/22/86/97/240228697.db2.gz RHDOMGQRRTZGBH-SFCZWKTKSA-N 1 1 316.401 3.233 20 5 DGBDMO CC[C@@H]1C[C@H]1C[NH2+][C@@H](c1nccn1C)c1ccc([N+](=O)[O-])cc1 ZINC000449483551 240236622 /nfs/dbraw/zinc/23/66/22/240236622.db2.gz JKNXTCRFFXIVSB-IVMMDQJWSA-N 1 1 314.389 3.053 20 5 DGBDMO CCO[C@@H]1CC[N@@H+](C/C=C\c2ccccc2[N+](=O)[O-])C[C@@H]1C ZINC000449493521 240243206 /nfs/dbraw/zinc/24/32/06/240243206.db2.gz LOOXNOSRSGQVKM-HFNVYPAOSA-N 1 1 304.390 3.355 20 5 DGBDMO O=[N+]([O-])c1ccc([C@@H]2CCC[N@H+](Cc3cscn3)C2)cc1 ZINC000449506623 240255096 /nfs/dbraw/zinc/25/50/96/240255096.db2.gz ZFIRMIGEMUMWCH-CYBMUJFWSA-N 1 1 303.387 3.431 20 5 DGBDMO O=[N+]([O-])c1ccc([C@@H]2CCC[N@@H+](Cc3cscn3)C2)cc1 ZINC000449506623 240255099 /nfs/dbraw/zinc/25/50/99/240255099.db2.gz ZFIRMIGEMUMWCH-CYBMUJFWSA-N 1 1 303.387 3.431 20 5 DGBDMO CO[C@H]1C[C@H]([N@@H+](C)Cc2ccc([N+](=O)[O-])cc2F)C12CCC2 ZINC000449631312 240331410 /nfs/dbraw/zinc/33/14/10/240331410.db2.gz KHHGQSBKKVKSAN-GJZGRUSLSA-N 1 1 308.353 3.123 20 5 DGBDMO O=[N+]([O-])c1ccccc1/C=C/C[N@@H+]1CCO[C@H]2CCCC[C@@H]21 ZINC000091978769 193135300 /nfs/dbraw/zinc/13/53/00/193135300.db2.gz RAIVQXGSFKFTDO-DGDBIBOCSA-N 1 1 302.374 3.251 20 5 DGBDMO O=[N+]([O-])c1ccccc1/C=C/C[N@H+]1CCO[C@H]2CCCC[C@@H]21 ZINC000091978769 193135301 /nfs/dbraw/zinc/13/53/01/193135301.db2.gz RAIVQXGSFKFTDO-DGDBIBOCSA-N 1 1 302.374 3.251 20 5 DGBDMO CO[C@@H]1CC[N@@H+](Cc2cc([N+](=O)[O-])ccc2OC(C)C)C[C@H]1C ZINC000451551554 241170609 /nfs/dbraw/zinc/17/06/09/241170609.db2.gz WKTIDLSDQACJBT-CZUORRHYSA-N 1 1 322.405 3.239 20 5 DGBDMO CCn1cc([C@H](C)[NH2+]Cc2ccc(Cl)cc2[N+](=O)[O-])cn1 ZINC000451885760 241264344 /nfs/dbraw/zinc/26/43/44/241264344.db2.gz FQXWBJDUURTJDN-JTQLQIEISA-N 1 1 308.769 3.315 20 5 DGBDMO O=[N+]([O-])c1cccc(OCC[N@H+]2CCC[C@@]3(CCSC3)C2)c1 ZINC000451956895 241283273 /nfs/dbraw/zinc/28/32/73/241283273.db2.gz DMLZVQLOQRUODV-MRXNPFEDSA-N 1 1 322.430 3.193 20 5 DGBDMO O=[N+]([O-])c1ccc(OCC[N@H+]2CCC[C@@]3(CCSC3)C2)cc1 ZINC000451971209 241287710 /nfs/dbraw/zinc/28/77/10/241287710.db2.gz ZMUUFGQPUJDQIC-MRXNPFEDSA-N 1 1 322.430 3.193 20 5 DGBDMO CC[C@H](CNC/C(C)=C/c1cccc([N+](=O)[O-])c1)[NH+]1CCCC1 ZINC000468626691 244057457 /nfs/dbraw/zinc/05/74/57/244057457.db2.gz HYKPPCANZLLOGX-GSPCDJLXSA-N 1 1 317.433 3.462 20 5 DGBDMO C[N@@H+](CCOc1ccc([N+](=O)[O-])cc1F)Cc1ccc(F)cc1 ZINC000468507962 244047378 /nfs/dbraw/zinc/04/73/78/244047378.db2.gz QGRKIJKGLBOWRI-UHFFFAOYSA-N 1 1 322.311 3.384 20 5 DGBDMO Cc1ccc(C[N@H+]2CC[C@@H](Nc3ccc([N+](=O)[O-])cn3)C2)s1 ZINC000093534332 193266289 /nfs/dbraw/zinc/26/62/89/193266289.db2.gz RIKAHUHQXUQDRV-GFCCVEGCSA-N 1 1 318.402 3.046 20 5 DGBDMO CCC[C@H]1CCC[N@@H+](CC(=O)N(C)c2ccc([N+](=O)[O-])cc2)C1 ZINC000120946533 284182775 /nfs/dbraw/zinc/18/27/75/284182775.db2.gz BWMOETCEDKBOJG-AWEZNQCLSA-N 1 1 319.405 3.070 20 5 DGBDMO CC(C)[C@@H](C[NH2+][C@@H](C)c1ccc([N+](=O)[O-])cc1)N1CCCC1 ZINC000122146313 284214088 /nfs/dbraw/zinc/21/40/88/284214088.db2.gz RFAIQIICTUQSQE-WMLDXEAASA-N 1 1 305.422 3.366 20 5 DGBDMO Cc1cccc([N+](=O)[O-])c1N1CC[N@H+]([C@@H]2C[C@@H]2C)C[C@@H](C)C1 ZINC000488718917 245221746 /nfs/dbraw/zinc/22/17/46/245221746.db2.gz HNQQUWRRCIVKNQ-IVMMDQJWSA-N 1 1 303.406 3.070 20 5 DGBDMO CC[C@@H]1CCCC[N@H+]1CCC(=O)Nc1ccccc1[N+](=O)[O-] ZINC000282697739 217184215 /nfs/dbraw/zinc/18/42/15/217184215.db2.gz OPUCVPKDODXSKG-CYBMUJFWSA-N 1 1 305.378 3.188 20 5 DGBDMO COC[C@@H]1CCCC[N@@H+](Cc2c(Cl)cccc2[N+](=O)[O-])C1 ZINC000494634733 246174048 /nfs/dbraw/zinc/17/40/48/246174048.db2.gz IHHXELCZXNCZLW-GFCCVEGCSA-N 1 1 312.797 3.497 20 5 DGBDMO CC[C@@H]1CCCC[N@H+]1CC(=O)Nc1cc([N+](=O)[O-])ccc1C ZINC000023991314 182371291 /nfs/dbraw/zinc/37/12/91/182371291.db2.gz YJHTVKJUNUQFQE-CYBMUJFWSA-N 1 1 305.378 3.106 20 5 DGBDMO O=[N+]([O-])c1cccc(C[N@@H+]2CCC[C@@H]2C[C@@H](O)c2ccco2)c1 ZINC000268268889 206596387 /nfs/dbraw/zinc/59/63/87/206596387.db2.gz MNVJLUNIBFLBFD-GDBMZVCRSA-N 1 1 316.357 3.276 20 5 DGBDMO CC[N@@H+](Cc1cc([N+](=O)[O-])ccc1OC(C)C)C[C@H]1CCCO1 ZINC000104949508 194056194 /nfs/dbraw/zinc/05/61/94/194056194.db2.gz MKCQWWRDDDALJN-MRXNPFEDSA-N 1 1 322.405 3.383 20 5 DGBDMO CC[N@H+](Cc1cc([N+](=O)[O-])ccc1OC(C)C)C[C@H]1CCCO1 ZINC000104949508 194056195 /nfs/dbraw/zinc/05/61/95/194056195.db2.gz MKCQWWRDDDALJN-MRXNPFEDSA-N 1 1 322.405 3.383 20 5 DGBDMO C[N@@H+](CCc1ccccc1[N+](=O)[O-])Cc1ccnc(Cl)c1 ZINC000285197463 218329610 /nfs/dbraw/zinc/32/96/10/218329610.db2.gz CUCAOOWYBVYRNP-UHFFFAOYSA-N 1 1 305.765 3.318 20 5 DGBDMO C[C@@H](c1cccc(O)c1)[N@@H+](C)CCOc1ccc([N+](=O)[O-])cc1 ZINC000109781044 194285998 /nfs/dbraw/zinc/28/59/98/194285998.db2.gz XRLJZUQKVAXZBE-ZDUSSCGKSA-N 1 1 316.357 3.372 20 5 DGBDMO O=[N+]([O-])c1ccc(C[N@@H+](Cc2ccco2)C[C@H]2CCCO2)cc1 ZINC000060038872 184143362 /nfs/dbraw/zinc/14/33/62/184143362.db2.gz AZEMEKHKSZQCLV-QGZVFWFLSA-N 1 1 316.357 3.369 20 5 DGBDMO O=[N+]([O-])c1ccc(C[N@H+](Cc2ccco2)C[C@H]2CCCO2)cc1 ZINC000060038872 184143364 /nfs/dbraw/zinc/14/33/64/184143364.db2.gz AZEMEKHKSZQCLV-QGZVFWFLSA-N 1 1 316.357 3.369 20 5 DGBDMO O=[N+]([O-])c1cc(C[N@H+]2CCC3(C2)CCOCC3)ccc1Cl ZINC000269054692 207203826 /nfs/dbraw/zinc/20/38/26/207203826.db2.gz VXUVEIXASPEFPA-UHFFFAOYSA-N 1 1 310.781 3.251 20 5 DGBDMO CC[N@H+](Cc1ccccc1)C[C@@H](O)c1cccc([N+](=O)[O-])c1 ZINC000062351291 184231705 /nfs/dbraw/zinc/23/17/05/184231705.db2.gz IFDQKEAQOWLFIH-QGZVFWFLSA-N 1 1 300.358 3.150 20 5 DGBDMO CC(C)c1ccc(C[N@H+](C)Cc2cnn(C)c2)cc1[N+](=O)[O-] ZINC000119700676 195021067 /nfs/dbraw/zinc/02/10/67/195021067.db2.gz UTISUXAWBAYPGC-UHFFFAOYSA-N 1 1 302.378 3.084 20 5 DGBDMO CC(C)c1ccc(C[N@@H+](C)Cc2cnn(C)c2)cc1[N+](=O)[O-] ZINC000119700676 195021068 /nfs/dbraw/zinc/02/10/68/195021068.db2.gz UTISUXAWBAYPGC-UHFFFAOYSA-N 1 1 302.378 3.084 20 5 DGBDMO O=[N+]([O-])c1c2cccnc2ccc1N1CCC[C@H](c2[nH]cc[nH+]2)C1 ZINC000264822630 285079697 /nfs/dbraw/zinc/07/96/97/285079697.db2.gz GKGBGBVXXRIITD-LBPRGKRZSA-N 1 1 323.356 3.250 20 5 DGBDMO CC[C@@H]1CCC[N@@H+](CCC(=O)Nc2ccccc2[N+](=O)[O-])CC1 ZINC000337252779 253070367 /nfs/dbraw/zinc/07/03/67/253070367.db2.gz OZUHFQMYDHLLBI-CQSZACIVSA-N 1 1 319.405 3.436 20 5 DGBDMO O=[N+]([O-])c1cc(Cl)ccc1CN1CCC[C@H]([C@H]2CC[NH2+]C2)C1 ZINC000420322716 285089005 /nfs/dbraw/zinc/08/90/05/285089005.db2.gz FCYVHTWCIBPEDQ-STQMWFEESA-N 1 1 323.824 3.070 20 5 DGBDMO C[C@@H]1C[C@@]1([NH2+]Cc1c([N+](=O)[O-])ncn1C)c1ccc(Cl)cc1 ZINC000337499260 253127649 /nfs/dbraw/zinc/12/76/49/253127649.db2.gz ULUIGTAISZRLKW-BMIGLBTASA-N 1 1 320.780 3.007 20 5 DGBDMO COC(=O)C(C)(C)CC[N@@H+](Cc1ccc([N+](=O)[O-])cc1)C1CC1 ZINC000338567442 253311926 /nfs/dbraw/zinc/31/19/26/253311926.db2.gz KBIVZFSYNWEBRD-UHFFFAOYSA-N 1 1 320.389 3.149 20 5 DGBDMO O=[N+]([O-])c1cccc(Cl)c1C[N@@H+]1CC2(CCC2)[C@H]2COC[C@H]21 ZINC000459773537 285153242 /nfs/dbraw/zinc/15/32/42/285153242.db2.gz PRBOCWKHOWGSED-SWLSCSKDSA-N 1 1 322.792 3.249 20 5 DGBDMO O=[N+]([O-])c1cccc(Cl)c1C[N@H+]1CC2(CCC2)[C@H]2COC[C@H]21 ZINC000459773537 285153243 /nfs/dbraw/zinc/15/32/43/285153243.db2.gz PRBOCWKHOWGSED-SWLSCSKDSA-N 1 1 322.792 3.249 20 5 DGBDMO O=[N+]([O-])c1cccc(Cl)c1C[N@H+]1CCC2(C1)CCOCC2 ZINC000493004606 285153619 /nfs/dbraw/zinc/15/36/19/285153619.db2.gz POUMBUZVZMFTFS-UHFFFAOYSA-N 1 1 310.781 3.251 20 5 DGBDMO Cn1cnc2cc(C[N@@H+]3CCc4ccc([N+](=O)[O-])cc4C3)ccc21 ZINC000342943681 254079080 /nfs/dbraw/zinc/07/90/80/254079080.db2.gz QSBXADUNBXDCII-UHFFFAOYSA-N 1 1 322.368 3.040 20 5 DGBDMO Cn1cnc2cc(C[N@H+]3CCc4ccc([N+](=O)[O-])cc4C3)ccc21 ZINC000342943681 254079083 /nfs/dbraw/zinc/07/90/83/254079083.db2.gz QSBXADUNBXDCII-UHFFFAOYSA-N 1 1 322.368 3.040 20 5 DGBDMO C[C@@H]([NH2+]CCc1ccc2cn[nH]c2c1)c1ccc([N+](=O)[O-])cc1 ZINC000342820832 254059065 /nfs/dbraw/zinc/05/90/65/254059065.db2.gz APRBRHQQMIUWFE-GFCCVEGCSA-N 1 1 310.357 3.364 20 5 DGBDMO CC(=O)c1cc(NCC[N@H+]2CCCC(C)(C)C2)ccc1[N+](=O)[O-] ZINC000343090279 254098626 /nfs/dbraw/zinc/09/86/26/254098626.db2.gz DRYGSCPYANXMOO-UHFFFAOYSA-N 1 1 319.405 3.331 20 5 DGBDMO C[C@@H]1[C@@H](Nc2ccc([N+](=O)[O-])c3cccnc23)CCC[N@H+]1C ZINC000343476886 254149570 /nfs/dbraw/zinc/14/95/70/254149570.db2.gz OLJBYVQUZQMJRD-YPMHNXCESA-N 1 1 300.362 3.038 20 5 DGBDMO CCOc1cc(N(C)C2C[C@H]3CC[C@@H](C2)[N@@H+]3C)ccc1[N+](=O)[O-] ZINC000343368639 254132635 /nfs/dbraw/zinc/13/26/35/254132635.db2.gz JUAWQKPNPOLMSE-NNQSOWQGSA-N 1 1 319.405 3.055 20 5 DGBDMO CC(C)Oc1ccc([N+](=O)[O-])cc1CO[C@@H](C)Cc1[nH]cc[nH+]1 ZINC000343650262 254173123 /nfs/dbraw/zinc/17/31/23/254173123.db2.gz QJYADUKFNBEJHU-LBPRGKRZSA-N 1 1 319.361 3.253 20 5 DGBDMO COc1cc(C[N@H+]2CCC[C@H](C3CC3)C2)c([N+](=O)[O-])cc1F ZINC000343957220 254206016 /nfs/dbraw/zinc/20/60/16/254206016.db2.gz DSKMJTMKWWSDMZ-LBPRGKRZSA-N 1 1 308.353 3.365 20 5 DGBDMO CC[C@@]1(C)CC[N@H+]([C@H](C)C(=O)Nc2ccc([N+](=O)[O-])cc2)C1 ZINC000344230259 254242335 /nfs/dbraw/zinc/24/23/35/254242335.db2.gz JDEHVMSQEPIFQD-WBMJQRKESA-N 1 1 305.378 3.044 20 5 DGBDMO O=[N+]([O-])c1cnc2c(c1)C[N@H+](C[C@H]1CCCC(F)(F)C1)CC2 ZINC000338302862 285184802 /nfs/dbraw/zinc/18/48/02/285184802.db2.gz UVSMKUULTJVZLZ-NSHDSACASA-N 1 1 311.332 3.173 20 5 DGBDMO CC[N@H+](CCNC/C(C)=C/c1cccc([N+](=O)[O-])c1)C1CC1 ZINC000344838100 254309649 /nfs/dbraw/zinc/30/96/49/254309649.db2.gz BXVKTSMPBODTKU-SDNWHVSQSA-N 1 1 303.406 3.072 20 5 DGBDMO CC[N@@H+](CCNC/C(C)=C/c1cccc([N+](=O)[O-])c1)C1CC1 ZINC000344838100 254309651 /nfs/dbraw/zinc/30/96/51/254309651.db2.gz BXVKTSMPBODTKU-SDNWHVSQSA-N 1 1 303.406 3.072 20 5 DGBDMO CC[C@H]1CC[C@H](C)[N@H+]1Cc1nc(-c2cccc([N+](=O)[O-])c2)no1 ZINC000271562749 209014929 /nfs/dbraw/zinc/01/49/29/209014929.db2.gz PWIQAHYBEBHBBX-AAEUAGOBSA-N 1 1 316.361 3.408 20 5 DGBDMO COc1ccc([N+](=O)[O-])cc1C[N@H+]1CCCCC[C@@H]1C[C@H](C)O ZINC000323004216 533218781 /nfs/dbraw/zinc/21/87/81/533218781.db2.gz VFMKWMXMCSUYKE-DZGCQCFKSA-N 1 1 322.405 3.119 20 5 DGBDMO CCC[C@@]1(CO)CC[N@@H+](C/C=C/c2ccccc2[N+](=O)[O-])C1 ZINC000289991096 221366086 /nfs/dbraw/zinc/36/60/86/221366086.db2.gz CHTCKSXWWXSLDA-QQOXCAACSA-N 1 1 304.390 3.093 20 5 DGBDMO Cc1cnn([C@@H]2CC[N@H+]([C@H](C)c3cc([N+](=O)[O-])ccc3C)C2)c1 ZINC000290033925 221392283 /nfs/dbraw/zinc/39/22/83/221392283.db2.gz VZLVHGWRQSCZLK-GDBMZVCRSA-N 1 1 314.389 3.416 20 5 DGBDMO C[C@H]([NH2+]Cc1nnc(-c2ccc([N+](=O)[O-])cc2)o1)c1ccccc1 ZINC000123100483 195543796 /nfs/dbraw/zinc/54/37/96/195543796.db2.gz QKOIPBPTPGXNOZ-LBPRGKRZSA-N 1 1 324.340 3.496 20 5 DGBDMO O=[N+]([O-])c1cccc(OCC[N@@H+](Cc2ccncc2)C2CC2)c1 ZINC000124849447 195686738 /nfs/dbraw/zinc/68/67/38/195686738.db2.gz NHFYICPPUFYZHQ-UHFFFAOYSA-N 1 1 313.357 3.033 20 5 DGBDMO COc1ccc(C[N@H+]2CCSC(C)(C)CC2)cc1[N+](=O)[O-] ZINC000434673674 533565148 /nfs/dbraw/zinc/56/51/48/533565148.db2.gz FZVNJQCZGBCRJR-UHFFFAOYSA-N 1 1 310.419 3.321 20 5 DGBDMO CCn1cc([C@H](C)[NH2+][C@@H](C)c2ccc([N+](=O)[O-])cc2OC)cn1 ZINC000595051234 400090172 /nfs/dbraw/zinc/09/01/72/400090172.db2.gz LWOVMMPMJMUIDG-RYUDHWBXSA-N 1 1 318.377 3.232 20 5 DGBDMO COc1cc([N+](=O)[O-])ccc1[C@@H](C)[NH2+]Cc1cnc(C)cc1C ZINC000595054325 400091851 /nfs/dbraw/zinc/09/18/51/400091851.db2.gz ZTWWPHRFGGKBBI-CYBMUJFWSA-N 1 1 315.373 3.466 20 5 DGBDMO CC(C)(C)[N@@H+]1CC[C@H](N[C@@H]2CCc3c2cccc3[N+](=O)[O-])C1 ZINC000595056685 400093139 /nfs/dbraw/zinc/09/31/39/400093139.db2.gz QODUYMDZGOGSMQ-SWLSCSKDSA-N 1 1 303.406 3.045 20 5 DGBDMO CC(C)(C)[N@H+]1CC[C@H](N[C@@H]2CCc3c2cccc3[N+](=O)[O-])C1 ZINC000595056685 400093144 /nfs/dbraw/zinc/09/31/44/400093144.db2.gz QODUYMDZGOGSMQ-SWLSCSKDSA-N 1 1 303.406 3.045 20 5 DGBDMO Cn1c[nH+]cc1CCCSCCOc1ccc([N+](=O)[O-])cc1 ZINC000600572310 400096139 /nfs/dbraw/zinc/09/61/39/400096139.db2.gz XYJRHVPMDSLSPQ-UHFFFAOYSA-N 1 1 321.402 3.073 20 5 DGBDMO COCC[N@H+](Cc1ccccc1)Cc1ccc(F)cc1[N+](=O)[O-] ZINC000595293160 400118753 /nfs/dbraw/zinc/11/87/53/400118753.db2.gz ZLCJJGCBXCOEKN-UHFFFAOYSA-N 1 1 318.348 3.383 20 5 DGBDMO COCC[N@@H+](Cc1ccccc1)Cc1ccc(F)cc1[N+](=O)[O-] ZINC000595293160 400118758 /nfs/dbraw/zinc/11/87/58/400118758.db2.gz ZLCJJGCBXCOEKN-UHFFFAOYSA-N 1 1 318.348 3.383 20 5 DGBDMO Cc1noc(C[N@H+]2CCc3ccc(F)cc3[C@@H](C)C2)c1[N+](=O)[O-] ZINC000595564729 400189074 /nfs/dbraw/zinc/18/90/74/400189074.db2.gz VEAMFBSDORZOMP-JTQLQIEISA-N 1 1 319.336 3.192 20 5 DGBDMO COc1ccc(C[N@@H+](C)Cc2ccc([N+](=O)[O-])cc2)cc1OC ZINC000008531871 400126233 /nfs/dbraw/zinc/12/62/33/400126233.db2.gz AXYPUTNDODFGJJ-UHFFFAOYSA-N 1 1 316.357 3.244 20 5 DGBDMO CC[C@@H](Cc1ccccc1)[N@@H+](C)Cc1onc(C)c1[N+](=O)[O-] ZINC000595324833 400126399 /nfs/dbraw/zinc/12/63/99/400126399.db2.gz HPYYDBHQMFSZRU-AWEZNQCLSA-N 1 1 303.362 3.344 20 5 DGBDMO Cc1noc(C[N@@H+]2C[C@H](c3ccccc3)C[C@H]2C)c1[N+](=O)[O-] ZINC000595322149 400127174 /nfs/dbraw/zinc/12/71/74/400127174.db2.gz MGRLFWSXLHFJKT-BXUZGUMPSA-N 1 1 301.346 3.269 20 5 DGBDMO Cc1noc(C[N@H+]2CC[C@@](C)(c3ccccc3)C2)c1[N+](=O)[O-] ZINC000595339428 400129881 /nfs/dbraw/zinc/12/98/81/400129881.db2.gz OQODLODRUVVEOQ-MRXNPFEDSA-N 1 1 301.346 3.055 20 5 DGBDMO Cc1noc(C[N@@H+]2CC[C@H](Cc3ccccc3)[C@@H]2C)c1[N+](=O)[O-] ZINC000595338363 400130710 /nfs/dbraw/zinc/13/07/10/400130710.db2.gz RKQNOJXUFVQLIY-DZGCQCFKSA-N 1 1 315.373 3.344 20 5 DGBDMO C[N@H+](CCOCc1ccccc1)Cc1ccc(F)cc1[N+](=O)[O-] ZINC000595337941 400130856 /nfs/dbraw/zinc/13/08/56/400130856.db2.gz DNVCMEVTTYTMMG-UHFFFAOYSA-N 1 1 318.348 3.383 20 5 DGBDMO C[N@@H+](CCOCc1ccccc1)Cc1ccc(F)cc1[N+](=O)[O-] ZINC000595337941 400130864 /nfs/dbraw/zinc/13/08/64/400130864.db2.gz DNVCMEVTTYTMMG-UHFFFAOYSA-N 1 1 318.348 3.383 20 5 DGBDMO Cc1ccc(C[N@@H+](C)CCOc2ccc([N+](=O)[O-])cc2)s1 ZINC000609075398 400137312 /nfs/dbraw/zinc/13/73/12/400137312.db2.gz YJILITDJQATBOS-UHFFFAOYSA-N 1 1 306.387 3.476 20 5 DGBDMO C[C@@H]1CC[N@H+](Cc2ccc(F)cc2[N+](=O)[O-])C[C@@H]1n1ccnc1 ZINC000595396193 400139083 /nfs/dbraw/zinc/13/90/83/400139083.db2.gz YYPOWEAJPQFWKP-WBMJQRKESA-N 1 1 318.352 3.014 20 5 DGBDMO C[C@@H]1CC[N@@H+](Cc2ccc(F)cc2[N+](=O)[O-])C[C@@H]1n1ccnc1 ZINC000595396193 400139089 /nfs/dbraw/zinc/13/90/89/400139089.db2.gz YYPOWEAJPQFWKP-WBMJQRKESA-N 1 1 318.352 3.014 20 5 DGBDMO Cc1cccc([N+](=O)[O-])c1NC(=O)C[N@H+]1CCC[C@@H]1C1CCC1 ZINC000609120967 400140900 /nfs/dbraw/zinc/14/09/00/400140900.db2.gz PRESLIAROMPFQF-CQSZACIVSA-N 1 1 317.389 3.106 20 5 DGBDMO CC(C)[N@H+](C)CC1CCN(Cc2cccc([N+](=O)[O-])c2)CC1 ZINC000609133537 400142122 /nfs/dbraw/zinc/14/21/22/400142122.db2.gz SWONJBPGJXRXOW-UHFFFAOYSA-N 1 1 305.422 3.147 20 5 DGBDMO CC(C)[N@@H+](C)CC1CCN(Cc2cccc([N+](=O)[O-])c2)CC1 ZINC000609133537 400142129 /nfs/dbraw/zinc/14/21/29/400142129.db2.gz SWONJBPGJXRXOW-UHFFFAOYSA-N 1 1 305.422 3.147 20 5 DGBDMO COC[C@@H]([NH2+]Cc1ccc(F)cc1[N+](=O)[O-])c1ccccc1 ZINC000595414329 400142934 /nfs/dbraw/zinc/14/29/34/400142934.db2.gz HQPOSNMHPCZJMU-OAHLLOKOSA-N 1 1 304.321 3.211 20 5 DGBDMO O=[N+]([O-])c1cc(F)ccc1C[N@H+]1CCC[C@@H](C[C@@H]2CCOC2)C1 ZINC000595422058 400143941 /nfs/dbraw/zinc/14/39/41/400143941.db2.gz NLJSCOGOFDTDQN-KBPBESRZSA-N 1 1 322.380 3.373 20 5 DGBDMO O=[N+]([O-])c1cc(F)ccc1C[N@H+]1CC[C@@H](Cc2ccncc2)C1 ZINC000595425842 400145460 /nfs/dbraw/zinc/14/54/60/400145460.db2.gz MTQIBKWVZZPHLW-AWEZNQCLSA-N 1 1 315.348 3.194 20 5 DGBDMO COCC[C@H]([NH2+]Cc1ccc(F)cc1[N+](=O)[O-])c1ccco1 ZINC000595433526 400149919 /nfs/dbraw/zinc/14/99/19/400149919.db2.gz XGSASBKZERLJKF-ZDUSSCGKSA-N 1 1 308.309 3.194 20 5 DGBDMO COCC[N@H+](Cc1c(F)cc([N+](=O)[O-])cc1F)C1CCCC1 ZINC000586761190 400150633 /nfs/dbraw/zinc/15/06/33/400150633.db2.gz WDHFHFYXZVOILA-UHFFFAOYSA-N 1 1 314.332 3.264 20 5 DGBDMO COCC[N@@H+](Cc1c(F)cc([N+](=O)[O-])cc1F)C1CCCC1 ZINC000586761190 400150638 /nfs/dbraw/zinc/15/06/38/400150638.db2.gz WDHFHFYXZVOILA-UHFFFAOYSA-N 1 1 314.332 3.264 20 5 DGBDMO Cc1cc([C@H]2CCC[N@H+]2CCOc2ccc([N+](=O)[O-])cc2)on1 ZINC000067387184 400166662 /nfs/dbraw/zinc/16/66/62/400166662.db2.gz PTMNUSIXPQHSGW-OAHLLOKOSA-N 1 1 317.345 3.107 20 5 DGBDMO CCOC[C@H]1CCCN(c2cc[nH+]c3ccc([N+](=O)[O-])cc32)C1 ZINC000601115990 400238535 /nfs/dbraw/zinc/23/85/35/400238535.db2.gz GENWVLVELIPUQU-ZDUSSCGKSA-N 1 1 315.373 3.396 20 5 DGBDMO O=[N+]([O-])c1ccc2[nH+]ccc(N3CCC4(C3)CCOCC4)c2c1 ZINC000601125839 400241969 /nfs/dbraw/zinc/24/19/69/400241969.db2.gz VPJGSOKCZKANHT-UHFFFAOYSA-N 1 1 313.357 3.150 20 5 DGBDMO CC(C)Oc1ccc([N+](=O)[O-])cc1C[N@H+](C)CC1=CCCOC1 ZINC000595753679 400249641 /nfs/dbraw/zinc/24/96/41/400249641.db2.gz RDZOYBUTPCNTNB-UHFFFAOYSA-N 1 1 320.389 3.161 20 5 DGBDMO CC(C)Oc1ccc([N+](=O)[O-])cc1C[N@@H+](C)CC1=CCCOC1 ZINC000595753679 400249648 /nfs/dbraw/zinc/24/96/48/400249648.db2.gz RDZOYBUTPCNTNB-UHFFFAOYSA-N 1 1 320.389 3.161 20 5 DGBDMO C[C@H]1CN(c2cc[nH+]c3ccc([N+](=O)[O-])cc32)C[C@@H](C2CC2)O1 ZINC000601156430 400250587 /nfs/dbraw/zinc/25/05/87/400250587.db2.gz QLKFANFUXXPFBC-GTNSWQLSSA-N 1 1 313.357 3.147 20 5 DGBDMO C[C@H]1CSCCN(c2cc[nH+]c3ccc([N+](=O)[O-])cc32)C1 ZINC000601156276 400250700 /nfs/dbraw/zinc/25/07/00/400250700.db2.gz VNAHWZFBJSEHFM-LLVKDONJSA-N 1 1 303.387 3.332 20 5 DGBDMO Cc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@@H+]1C[C@H](C)C[C@H](C)C1 ZINC000026161218 400253197 /nfs/dbraw/zinc/25/31/97/400253197.db2.gz SVGYXQXSMCTIBY-BETUJISGSA-N 1 1 319.405 3.210 20 5 DGBDMO CC(C)C[N@@H+](C)[C@H](C)C(=O)Nc1ccc([N+](=O)[O-])cc1Cl ZINC000068334921 400253228 /nfs/dbraw/zinc/25/32/28/400253228.db2.gz ZIXGBKLNADPKSC-SNVBAGLBSA-N 1 1 313.785 3.163 20 5 DGBDMO C[C@@H](O)C[N@@H+](CCc1ccc([N+](=O)[O-])cc1)Cc1ccccc1 ZINC000610161388 400217317 /nfs/dbraw/zinc/21/73/17/400217317.db2.gz SAQYWFGAZUJCDY-OAHLLOKOSA-N 1 1 314.385 3.020 20 5 DGBDMO C[C@H](O)C[N@@H+](CCc1ccc([N+](=O)[O-])cc1)Cc1ccccc1 ZINC000610161387 400217357 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DGBDMO C[N@H+](CCOc1cccc(F)c1)Cc1ccccc1[N+](=O)[O-] ZINC000048056743 400641232 /nfs/dbraw/zinc/64/12/32/400641232.db2.gz WRVRYJBIZRFKNO-UHFFFAOYSA-N 1 1 304.321 3.245 20 5 DGBDMO C[N@@H+](CCOc1cccc(F)c1)Cc1ccccc1[N+](=O)[O-] ZINC000048056743 400641236 /nfs/dbraw/zinc/64/12/36/400641236.db2.gz WRVRYJBIZRFKNO-UHFFFAOYSA-N 1 1 304.321 3.245 20 5 DGBDMO CCOC(=O)CC[C@H]1CCC[N@@H+](Cc2ccccc2[N+](=O)[O-])C1 ZINC000161845996 400742699 /nfs/dbraw/zinc/74/26/99/400742699.db2.gz AAYMZXNWVMBLLX-CQSZACIVSA-N 1 1 320.389 3.150 20 5 DGBDMO C[N@@H+](CCOc1ccccc1[N+](=O)[O-])Cc1ccc(F)cc1 ZINC000051259044 400698221 /nfs/dbraw/zinc/69/82/21/400698221.db2.gz XXEGTUMHRXWHAY-UHFFFAOYSA-N 1 1 304.321 3.245 20 5 DGBDMO COc1ccc(C[N@H+](C)Cc2cccc(F)c2)cc1[N+](=O)[O-] ZINC000051377686 400701162 /nfs/dbraw/zinc/70/11/62/400701162.db2.gz CCOSOULDTCOQEJ-UHFFFAOYSA-N 1 1 304.321 3.375 20 5 DGBDMO COc1ccc(C[N@@H+](C)Cc2cccc(F)c2)cc1[N+](=O)[O-] ZINC000051377686 400701166 /nfs/dbraw/zinc/70/11/66/400701166.db2.gz CCOSOULDTCOQEJ-UHFFFAOYSA-N 1 1 304.321 3.375 20 5 DGBDMO CCC[N@@H+](C)C[C@@H]1CCN(c2ccc([N+](=O)[O-])cc2Cl)C1 ZINC000078562425 400809008 /nfs/dbraw/zinc/80/90/08/400809008.db2.gz QRCBONSWSAZJSK-LBPRGKRZSA-N 1 1 311.813 3.416 20 5 DGBDMO C[C@H](c1ccccc1)[N@H+]1CC[C@H](Nc2cccnc2[N+](=O)[O-])C1 ZINC000604304585 400762777 /nfs/dbraw/zinc/76/27/77/400762777.db2.gz QLICEQRMAMCUMR-HIFRSBDPSA-N 1 1 312.373 3.237 20 5 DGBDMO C[N@H+](CCOc1ccccc1F)Cc1ccccc1[N+](=O)[O-] ZINC000053421115 400783064 /nfs/dbraw/zinc/78/30/64/400783064.db2.gz KHHLLZNQEGYDMZ-UHFFFAOYSA-N 1 1 304.321 3.245 20 5 DGBDMO C[N@@H+](CCOc1ccccc1F)Cc1ccccc1[N+](=O)[O-] ZINC000053421115 400783067 /nfs/dbraw/zinc/78/30/67/400783067.db2.gz KHHLLZNQEGYDMZ-UHFFFAOYSA-N 1 1 304.321 3.245 20 5 DGBDMO C[N@@H+](Cc1cc2c(cc1[N+](=O)[O-])OCCO2)[C@@H]1CCC(C)(C)C1 ZINC000619433966 400848268 /nfs/dbraw/zinc/84/82/68/400848268.db2.gz CLOJXKPDOUKNPX-CYBMUJFWSA-N 1 1 320.389 3.377 20 5 DGBDMO CC[N@H+](CCC(F)(F)F)Cc1ccc([N+](=O)[O-])cc1OC ZINC000619531315 400862272 /nfs/dbraw/zinc/86/22/72/400862272.db2.gz HBKGMAUMIYHZBW-UHFFFAOYSA-N 1 1 306.284 3.378 20 5 DGBDMO CC[N@@H+](CCC(F)(F)F)Cc1ccc([N+](=O)[O-])cc1OC ZINC000619531315 400862276 /nfs/dbraw/zinc/86/22/76/400862276.db2.gz HBKGMAUMIYHZBW-UHFFFAOYSA-N 1 1 306.284 3.378 20 5 DGBDMO COc1cc([N+](=O)[O-])ccc1C[NH2+][C@H](C)c1cnccc1C ZINC000619532003 400863148 /nfs/dbraw/zinc/86/31/48/400863148.db2.gz UHGPBIUTJNSHAB-GFCCVEGCSA-N 1 1 301.346 3.158 20 5 DGBDMO Cc1[nH+]ccn1CCCNc1ccc2cnccc2c1[N+](=O)[O-] ZINC000599048992 400937753 /nfs/dbraw/zinc/93/77/53/400937753.db2.gz SBMHVBUUYQTAJS-UHFFFAOYSA-N 1 1 311.345 3.150 20 5 DGBDMO CCC[N@H+]1CC[C@@H](CNc2ccc3cnccc3c2[N+](=O)[O-])C1 ZINC000599025927 400930815 /nfs/dbraw/zinc/93/08/15/400930815.db2.gz FHFHQMNLUGKKHD-ZDUSSCGKSA-N 1 1 314.389 3.287 20 5 DGBDMO CC(=O)c1ccc(NC[C@@H]2CC[N@H+]2C2CCCC2)c([N+](=O)[O-])c1 ZINC000599165207 400981692 /nfs/dbraw/zinc/98/16/92/400981692.db2.gz NPNWTEQXGZXBMQ-HNNXBMFYSA-N 1 1 317.389 3.226 20 5 DGBDMO COc1ccc(C[N@H+]2CCCC(F)(F)CC2)cc1[N+](=O)[O-] ZINC000599551919 401075569 /nfs/dbraw/zinc/07/55/69/401075569.db2.gz ULHFHKVCXRQODC-UHFFFAOYSA-N 1 1 300.305 3.225 20 5 DGBDMO Cc1ccc([C@@H](C)[NH2+][C@H]2CCCn3ccnc32)cc1[N+](=O)[O-] ZINC000594498853 401081759 /nfs/dbraw/zinc/08/17/59/401081759.db2.gz LXZYSVCLJDOUTA-OCCSQVGLSA-N 1 1 300.362 3.285 20 5 DGBDMO CCOCCC[N@H+]1CC[C@@H](Nc2ccccc2[N+](=O)[O-])[C@@H](C)C1 ZINC000246911998 401040343 /nfs/dbraw/zinc/04/03/43/401040343.db2.gz VXTWQDKZJJFTKD-LSDHHAIUSA-N 1 1 321.421 3.144 20 5 DGBDMO C[N@H+]1CCC[C@@H]2CN(C/C=C\c3ccccc3[N+](=O)[O-])CC[C@@H]21 ZINC000255393964 401105051 /nfs/dbraw/zinc/10/50/51/401105051.db2.gz GJCKUFWFWRTEEF-DBZNTZSBSA-N 1 1 315.417 3.024 20 5 DGBDMO O=[N+]([O-])c1ccc(CC[N@@H+]2CCOc3cc(F)ccc3C2)cc1 ZINC000599688507 401116834 /nfs/dbraw/zinc/11/68/34/401116834.db2.gz ZNQMSRYDVDFNMC-UHFFFAOYSA-N 1 1 316.332 3.171 20 5 DGBDMO O=[N+]([O-])c1ccc(CC[N@H+]2CCOc3cc(F)ccc3C2)cc1 ZINC000599688507 401116840 /nfs/dbraw/zinc/11/68/40/401116840.db2.gz ZNQMSRYDVDFNMC-UHFFFAOYSA-N 1 1 316.332 3.171 20 5 DGBDMO CCOc1cc(N[C@@H]2CCC[N@H+]3CCCC[C@H]23)ccc1[N+](=O)[O-] ZINC000594600012 401125567 /nfs/dbraw/zinc/12/55/67/401125567.db2.gz LBNBCUGBBONJEM-HUUCEWRRSA-N 1 1 319.405 3.422 20 5 DGBDMO C/C(=C\c1cccc([N+](=O)[O-])c1)CN[C@@H]1CC[N@H+](CC2CC2)C1 ZINC000615724268 401144129 /nfs/dbraw/zinc/14/41/29/401144129.db2.gz WPKAIMXUDWBJEF-RKCSUWQLSA-N 1 1 315.417 3.072 20 5 DGBDMO C/C(=C\c1cccc([N+](=O)[O-])c1)CN[C@@H]1CC[N@@H+](CC2CC2)C1 ZINC000615724268 401144133 /nfs/dbraw/zinc/14/41/33/401144133.db2.gz WPKAIMXUDWBJEF-RKCSUWQLSA-N 1 1 315.417 3.072 20 5 DGBDMO C[C@H]1CC(F)(F)CC[N@H+]1CCOc1cccc([N+](=O)[O-])c1 ZINC000599624229 401093781 /nfs/dbraw/zinc/09/37/81/401093781.db2.gz UHLJACQMOUEVEJ-NSHDSACASA-N 1 1 300.305 3.093 20 5 DGBDMO Cc1ccc(C[N@H+]2CCC[C@@H]2[C@H]2CCCC[C@@H]2O)cc1[N+](=O)[O-] ZINC000281424387 401153648 /nfs/dbraw/zinc/15/36/48/401153648.db2.gz ZCIARNOGCKWANP-NUJGCVRESA-N 1 1 318.417 3.419 20 5 DGBDMO C/C(=C/c1cccc([N+](=O)[O-])c1)C[N@H+]1CCCOC(C)(C)C1 ZINC000615835655 401161303 /nfs/dbraw/zinc/16/13/03/401161303.db2.gz XWZVJCKZKLEURY-UVTDQMKNSA-N 1 1 304.390 3.499 20 5 DGBDMO COCC[N@H+](Cc1ccccc1)Cc1ccccc1[N+](=O)[O-] ZINC000061780297 401162792 /nfs/dbraw/zinc/16/27/92/401162792.db2.gz INBXHTADVITKAW-UHFFFAOYSA-N 1 1 300.358 3.243 20 5 DGBDMO COCC[N@@H+](Cc1ccccc1)Cc1ccccc1[N+](=O)[O-] ZINC000061780297 401162797 /nfs/dbraw/zinc/16/27/97/401162797.db2.gz INBXHTADVITKAW-UHFFFAOYSA-N 1 1 300.358 3.243 20 5 DGBDMO CC[N@@H+](CCC(=O)Nc1cc([N+](=O)[O-])ccc1C)C1CCCC1 ZINC000063505403 401197587 /nfs/dbraw/zinc/19/75/87/401197587.db2.gz XFFQBIPSYWZYDW-UHFFFAOYSA-N 1 1 319.405 3.496 20 5 DGBDMO COc1cc([N+](=O)[O-])ccc1[C@@H](C)[NH2+][C@H](C)c1cccnc1 ZINC000595003637 401225852 /nfs/dbraw/zinc/22/58/52/401225852.db2.gz IZLDIRKMBYRMRN-VXGBXAGGSA-N 1 1 301.346 3.410 20 5 DGBDMO O=[N+]([O-])c1ccc(C[NH2+][C@H]2CCc3ccc(O)cc32)c(F)c1 ZINC000594982027 401217961 /nfs/dbraw/zinc/21/79/61/401217961.db2.gz XZRCENYGXQTJOU-INIZCTEOSA-N 1 1 302.305 3.217 20 5 DGBDMO C[C@H](C(=O)Nc1ccc([N+](=O)[O-])cc1)[N@H+]1CCC[C@@H](C)CC1 ZINC000063309283 401188304 /nfs/dbraw/zinc/18/83/04/401188304.db2.gz AXJDZYJAPHLHGK-CHWSQXEVSA-N 1 1 305.378 3.044 20 5 DGBDMO C[N@H+](Cc1nc(-c2ccc([N+](=O)[O-])cc2)no1)CC1CCCC1 ZINC000064014400 401227466 /nfs/dbraw/zinc/22/74/66/401227466.db2.gz RRQIOIFTAANWSF-UHFFFAOYSA-N 1 1 316.361 3.267 20 5 DGBDMO COc1cc([N+](=O)[O-])ccc1[C@@H](C)[NH2+][C@H](C)c1cn(C)nc1C ZINC000595010812 401230932 /nfs/dbraw/zinc/23/09/32/401230932.db2.gz IPPXPBIOHHLHAR-GHMZBOCLSA-N 1 1 318.377 3.057 20 5 DGBDMO O=[N+]([O-])c1cc(C[N@@H+](C2CC2)C2CCCC2)c2c(c1)COCO2 ZINC000064808222 401251239 /nfs/dbraw/zinc/25/12/39/401251239.db2.gz WRRPHSFOOYAPEK-UHFFFAOYSA-N 1 1 318.373 3.368 20 5 DGBDMO O=[N+]([O-])c1cc(Cl)ccc1C[NH+]1CCC([C@@H]2CCOC2)CC1 ZINC000364941327 287077764 /nfs/dbraw/zinc/07/77/64/287077764.db2.gz GALFNGSPSNQXEL-CQSZACIVSA-N 1 1 324.808 3.497 20 5 DGBDMO CC[C@@H]1[C@H](C)CC[N@H+]1CCC(=O)Nc1ccc([N+](=O)[O-])cc1C ZINC000185667178 165012532 /nfs/dbraw/zinc/01/25/32/165012532.db2.gz DFMINPJCWVCBRA-MLGOLLRUSA-N 1 1 319.405 3.352 20 5 DGBDMO C[C@@H](c1ccccc1)[N@H+]1CC[C@@H](Nc2ccc([N+](=O)[O-])cn2)C1 ZINC000228184856 165389108 /nfs/dbraw/zinc/38/91/08/165389108.db2.gz PBCVDUJMMPKPIP-DZGCQCFKSA-N 1 1 312.373 3.237 20 5 DGBDMO C[C@@]1(O)CCC[N@@H+](Cc2ccc(-c3ccccc3[N+](=O)[O-])o2)C1 ZINC000129481503 196051779 /nfs/dbraw/zinc/05/17/79/196051779.db2.gz QVNSIMJIHBOKSE-QGZVFWFLSA-N 1 1 316.357 3.202 20 5 DGBDMO Cn1c[nH+]cc1CCNc1c(Cl)cc([N+](=O)[O-])cc1Cl ZINC000129517449 196054696 /nfs/dbraw/zinc/05/46/96/196054696.db2.gz QTGQTQCROYSHHY-UHFFFAOYSA-N 1 1 315.160 3.290 20 5 DGBDMO COc1c(C)c[nH+]c(CN(C)Cc2ccc([N+](=O)[O-])cc2)c1C ZINC000171792199 432171667 /nfs/dbraw/zinc/17/16/67/432171667.db2.gz QUIIEJVLTBJUNJ-UHFFFAOYSA-N 1 1 315.373 3.247 20 5 DGBDMO C[N@@H+](CCCc1ccccc1)C[C@@H](O)c1cccc([N+](=O)[O-])c1 ZINC000269648098 432191698 /nfs/dbraw/zinc/19/16/98/432191698.db2.gz FPKFQXDVQNJHMA-GOSISDBHSA-N 1 1 314.385 3.193 20 5 DGBDMO C[C@@H](C[N@@H+](C)C[C@H](O)c1cccc([N+](=O)[O-])c1)c1ccccc1 ZINC000269653264 432194085 /nfs/dbraw/zinc/19/40/85/432194085.db2.gz NJTBFQHLKUADJS-KSSFIOAISA-N 1 1 314.385 3.364 20 5 DGBDMO C[C@@H](NC[C@@H](C)[N@@H+]1CCC[C@@H](C)C1)c1ccc([N+](=O)[O-])cc1 ZINC000247195834 432211063 /nfs/dbraw/zinc/21/10/63/432211063.db2.gz VZJNBZBRPMORJD-RBSFLKMASA-N 1 1 305.422 3.366 20 5 DGBDMO C[C@@H](NC[C@@H](C)[N@H+]1CCC[C@@H](C)C1)c1ccc([N+](=O)[O-])cc1 ZINC000247195834 432211067 /nfs/dbraw/zinc/21/10/67/432211067.db2.gz VZJNBZBRPMORJD-RBSFLKMASA-N 1 1 305.422 3.366 20 5 DGBDMO Cc1c(C[N@@H+]2CC[C@@H](C)[C@@H](n3ccnc3)C2)cccc1[N+](=O)[O-] ZINC000247361138 432225265 /nfs/dbraw/zinc/22/52/65/432225265.db2.gz HIXWXGBXWYIPAP-DYVFJYSZSA-N 1 1 314.389 3.183 20 5 DGBDMO Cc1ccc(C)c([C@@H]2CCC[N@H+]2CCn2cc([N+](=O)[O-])cn2)c1 ZINC000133967567 196350248 /nfs/dbraw/zinc/35/02/48/196350248.db2.gz OSOYQARNVHXNTE-KRWDZBQOSA-N 1 1 314.389 3.245 20 5 DGBDMO CC[C@H](O)C[N@@H+](Cc1ccccc1)Cc1cccc([N+](=O)[O-])c1 ZINC000134498382 196397007 /nfs/dbraw/zinc/39/70/07/196397007.db2.gz AQNAZTPZRNCCTB-SFHVURJKSA-N 1 1 314.385 3.368 20 5 DGBDMO Cc1cc(NCC(C)(C)[NH+](C)C)c2cc([N+](=O)[O-])ccc2n1 ZINC000302102339 230095310 /nfs/dbraw/zinc/09/53/10/230095310.db2.gz VPOGVXARGSYYMG-UHFFFAOYSA-N 1 1 302.378 3.204 20 5 DGBDMO C[C@H]1CCC[N@@H+](CCCCNc2ncc([N+](=O)[O-])cc2F)C1 ZINC000413063800 230123832 /nfs/dbraw/zinc/12/38/32/230123832.db2.gz SQNNOMMRFKYFHF-LBPRGKRZSA-N 1 1 310.373 3.053 20 5 DGBDMO C[C@H]1C[C@@H](Nc2nccc3ccc([N+](=O)[O-])cc32)C[N@H+]1C1CC1 ZINC000413187547 230149280 /nfs/dbraw/zinc/14/92/80/230149280.db2.gz RNKICHPOAWDGQB-WCQYABFASA-N 1 1 312.373 3.180 20 5 DGBDMO Cc1cccc(NCC[N@H+]2CCc3sccc3C2)c1[N+](=O)[O-] ZINC000302480122 230262968 /nfs/dbraw/zinc/26/29/68/230262968.db2.gz GIYCZHKISHBQDW-UHFFFAOYSA-N 1 1 317.414 3.435 20 5 DGBDMO CCOC(=O)C[C@@H](C)[N@@H+](C)Cc1ccc(C(C)C)c([N+](=O)[O-])c1 ZINC000346347435 264015332 /nfs/dbraw/zinc/01/53/32/264015332.db2.gz XQJHBLFNSRPYFZ-CYBMUJFWSA-N 1 1 322.405 3.492 20 5 DGBDMO C[C@H]1[N@@H+](Cc2c(F)cccc2[N+](=O)[O-])CCC12CCOCC2 ZINC000349242184 264501379 /nfs/dbraw/zinc/50/13/79/264501379.db2.gz OHXADEMARIAQCV-GFCCVEGCSA-N 1 1 308.353 3.125 20 5 DGBDMO C[NH+](C)Cc1ccsc1C(=O)Nc1cc(F)cc([N+](=O)[O-])c1 ZINC000352189481 264960795 /nfs/dbraw/zinc/96/07/95/264960795.db2.gz GNPFPPWRKJAWBJ-UHFFFAOYSA-N 1 1 323.349 3.109 20 5 DGBDMO CO[C@]1(C)C[C@H]([N@@H+](C)Cc2ccc([N+](=O)[O-])cc2F)C1(C)C ZINC000352612684 265103962 /nfs/dbraw/zinc/10/39/62/265103962.db2.gz QPYQJWJTMCZLCL-GOEBONIOSA-N 1 1 310.369 3.369 20 5 DGBDMO COc1cc([N+](=O)[O-])ccc1C[N@H+]1CCCCC[C@@H]1C[C@H](C)O ZINC000352888911 265215709 /nfs/dbraw/zinc/21/57/09/265215709.db2.gz WHFLROHPPZGQIY-DZGCQCFKSA-N 1 1 322.405 3.119 20 5 DGBDMO C[C@H]1CC[N@@H+](Cc2ccc(-c3ccc([N+](=O)[O-])cc3)o2)[C@@H]1CO ZINC000191180573 432231381 /nfs/dbraw/zinc/23/13/81/432231381.db2.gz MWJZQEXLMWECNH-BLLLJJGKSA-N 1 1 316.357 3.058 20 5 DGBDMO CC[C@@H](C)[N@H+](Cc1c([N+](=O)[O-])ncn1C)Cc1ccccc1 ZINC000355562064 266115466 /nfs/dbraw/zinc/11/54/66/266115466.db2.gz ZBFWEUYZVXWGAY-CYBMUJFWSA-N 1 1 302.378 3.129 20 5 DGBDMO CC[C@@H](C)[N@@H+](Cc1c([N+](=O)[O-])ncn1C)Cc1ccccc1 ZINC000355562064 266115469 /nfs/dbraw/zinc/11/54/69/266115469.db2.gz ZBFWEUYZVXWGAY-CYBMUJFWSA-N 1 1 302.378 3.129 20 5 DGBDMO CCn1nc(C)c([N+](=O)[O-])c1NCCC[N@@H+](C)C1CCCCC1 ZINC000172823777 432238994 /nfs/dbraw/zinc/23/89/94/432238994.db2.gz OEEGFFWKBJVLCJ-UHFFFAOYSA-N 1 1 323.441 3.186 20 5 DGBDMO C[C@@H](CN[C@@H]1CC(C)(C)c2ccc([N+](=O)[O-])cc21)[N@H+](C)C1CC1 ZINC000433125505 274224907 /nfs/dbraw/zinc/22/49/07/274224907.db2.gz KRSPWXOKQOUQBQ-YVEFUNNKSA-N 1 1 317.433 3.390 20 5 DGBDMO C[C@@H](CN[C@@H]1CC(C)(C)c2ccc([N+](=O)[O-])cc21)[N@@H+](C)C1CC1 ZINC000433125505 274224910 /nfs/dbraw/zinc/22/49/10/274224910.db2.gz KRSPWXOKQOUQBQ-YVEFUNNKSA-N 1 1 317.433 3.390 20 5 DGBDMO C[C@@H]([N@@H+](C)Cc1cc([N+](=O)[O-])ccc1C(F)(F)F)C(C)(C)O ZINC000295190713 274234052 /nfs/dbraw/zinc/23/40/52/274234052.db2.gz QZRCEZAJZNNEJT-SECBINFHSA-N 1 1 320.311 3.205 20 5 DGBDMO C[C@H](CN[C@H]1CCCc2ccc([N+](=O)[O-])cc21)C[NH+]1CCCC1 ZINC000192698734 274491917 /nfs/dbraw/zinc/49/19/17/274491917.db2.gz MVIXSWZQSGJTNX-KDOFPFPSSA-N 1 1 317.433 3.294 20 5 DGBDMO CCOc1cccc(N2CCC(c3[nH]cc[nH+]3)CC2)c1[N+](=O)[O-] ZINC000273205402 276380628 /nfs/dbraw/zinc/38/06/28/276380628.db2.gz RZPBKLQGRCHURB-UHFFFAOYSA-N 1 1 316.361 3.101 20 5 DGBDMO CCCC[N@H+]1CCCC[C@@H]1CNc1cc(C)c([N+](=O)[O-])cn1 ZINC000470857439 429711355 /nfs/dbraw/zinc/71/13/55/429711355.db2.gz CRVBLLSIKJFWHM-CQSZACIVSA-N 1 1 306.410 3.365 20 5 DGBDMO C[N@H+]1CCC[C@@]2(CCN(c3ccc(Cl)cc3[N+](=O)[O-])C2)C1 ZINC000338749069 277072662 /nfs/dbraw/zinc/07/26/62/277072662.db2.gz MUQNTDUWYMQOEE-OAHLLOKOSA-N 1 1 309.797 3.170 20 5 DGBDMO C[N@H+]1CCN(Cc2ccc([N+](=O)[O-])cc2)[C@H](c2ccccc2)C1 ZINC000119097620 277109202 /nfs/dbraw/zinc/10/92/02/277109202.db2.gz GITJXBOQRUDAQV-SFHVURJKSA-N 1 1 311.385 3.084 20 5 DGBDMO COC(=O)[C@@]1(C)CCC[N@H+]([C@@H](C)c2cc([N+](=O)[O-])ccc2C)C1 ZINC000412058344 277376630 /nfs/dbraw/zinc/37/66/30/277376630.db2.gz AJYQUZGXXPGHJD-GUYCJALGSA-N 1 1 320.389 3.239 20 5 DGBDMO CC(C)c1ccc(CN2CC[C@H]3CC[C@@H](C2)[N@H+]3C)cc1[N+](=O)[O-] ZINC000093614827 278036408 /nfs/dbraw/zinc/03/64/08/278036408.db2.gz DINXJCCNHXWUJV-CVEARBPZSA-N 1 1 317.433 3.387 20 5 DGBDMO Cc1[nH+]cn(CCc2ncc(-c3cccc([N+](=O)[O-])c3)o2)c1C ZINC000112980722 431317798 /nfs/dbraw/zinc/31/77/98/431317798.db2.gz FSBUKKDDXXCXGF-UHFFFAOYSA-N 1 1 312.329 3.306 20 5 DGBDMO O=[N+]([O-])c1ccc(CC[N@H+]2CCOC3(CCCCC3)C2)cc1 ZINC000075832125 431500753 /nfs/dbraw/zinc/50/07/53/431500753.db2.gz GFWBSIWLEWAWTO-UHFFFAOYSA-N 1 1 304.390 3.172 20 5 DGBDMO C[N@@H+](CCOc1ccc([N+](=O)[O-])cc1)CCc1cccs1 ZINC000075965459 431507188 /nfs/dbraw/zinc/50/71/88/431507188.db2.gz AIXRSTFNXBDAMN-UHFFFAOYSA-N 1 1 306.387 3.210 20 5 DGBDMO COc1ccc(C[N@@H+]2CCC[C@H]2c2cccn2C)cc1[N+](=O)[O-] ZINC000076612882 431559589 /nfs/dbraw/zinc/55/95/89/431559589.db2.gz SMULXVGTMCYAIR-HNNXBMFYSA-N 1 1 315.373 3.279 20 5 DGBDMO COc1ccc(C[N@H+]2CCC[C@H]2c2cccn2C)cc1[N+](=O)[O-] ZINC000076612882 431559595 /nfs/dbraw/zinc/55/95/95/431559595.db2.gz SMULXVGTMCYAIR-HNNXBMFYSA-N 1 1 315.373 3.279 20 5 DGBDMO Cc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@@H+]1CC[C@@H](C)[C@H](C)C1 ZINC000123001017 431851858 /nfs/dbraw/zinc/85/18/58/431851858.db2.gz RYJMGQRRTGCIND-TZMCWYRMSA-N 1 1 319.405 3.210 20 5 DGBDMO C[C@@H]1CC[N@@H+](Cc2nnc(-c3ccc([N+](=O)[O-])cc3)o2)C[C@@H]1C ZINC000122452159 431833900 /nfs/dbraw/zinc/83/39/00/431833900.db2.gz RBJXYNHUSOMHDS-NEPJUHHUSA-N 1 1 316.361 3.123 20 5 DGBDMO C[C@H](O)C[C@@H]1CCCC[N@H+]1Cc1ccc([N+](=O)[O-])cc1Cl ZINC000123822837 431874843 /nfs/dbraw/zinc/87/48/43/431874843.db2.gz RCMANENCELSSPA-AAEUAGOBSA-N 1 1 312.797 3.374 20 5 DGBDMO CCC[C@H](NC[C@@H]1CC[N@H+](CC)C1)c1cccc([N+](=O)[O-])c1 ZINC000124165388 431885502 /nfs/dbraw/zinc/88/55/02/431885502.db2.gz DTUQAIBMLGUGGV-YOEHRIQHSA-N 1 1 305.422 3.367 20 5 DGBDMO CCC[C@H](NC[C@@H]1CC[N@@H+](CC)C1)c1cccc([N+](=O)[O-])c1 ZINC000124165388 431885505 /nfs/dbraw/zinc/88/55/05/431885505.db2.gz DTUQAIBMLGUGGV-YOEHRIQHSA-N 1 1 305.422 3.367 20 5 DGBDMO CCC[C@@H](NC[C@@H]1CC[N@H+](CC)C1)c1cccc([N+](=O)[O-])c1 ZINC000124165566 431885527 /nfs/dbraw/zinc/88/55/27/431885527.db2.gz DTUQAIBMLGUGGV-WMLDXEAASA-N 1 1 305.422 3.367 20 5 DGBDMO CCC[C@@H](NC[C@@H]1CC[N@@H+](CC)C1)c1cccc([N+](=O)[O-])c1 ZINC000124165566 431885530 /nfs/dbraw/zinc/88/55/30/431885530.db2.gz DTUQAIBMLGUGGV-WMLDXEAASA-N 1 1 305.422 3.367 20 5 DGBDMO C[C@@H](c1ccncc1)[N@@H+](C)CCOc1ccccc1[N+](=O)[O-] ZINC000127528757 431974723 /nfs/dbraw/zinc/97/47/23/431974723.db2.gz HCHDHERRFOJEAU-ZDUSSCGKSA-N 1 1 301.346 3.062 20 5 DGBDMO CC[C@@H]1CCCC[N@H+]1Cc1nc(-c2ccc([N+](=O)[O-])cc2)no1 ZINC000051124672 431949888 /nfs/dbraw/zinc/94/98/88/431949888.db2.gz YBSSASZVQUPOQZ-CYBMUJFWSA-N 1 1 316.361 3.409 20 5 DGBDMO CC(C)Oc1ccc([N+](=O)[O-])cc1C[N@@H+](C)CC1(O)CCCC1 ZINC000152040296 432299933 /nfs/dbraw/zinc/29/99/33/432299933.db2.gz HPEKMLRCTSKKFQ-UHFFFAOYSA-N 1 1 322.405 3.119 20 5 DGBDMO O=[N+]([O-])c1ccc(-c2ccc(C[N@@H+]3CC[C@H](O)C3)o2)c(Cl)c1 ZINC000271111814 432330954 /nfs/dbraw/zinc/33/09/54/432330954.db2.gz UPJYRRXZVJWIOW-NSHDSACASA-N 1 1 322.748 3.075 20 5 DGBDMO COc1cc(C[N@@H+](C)[C@H](C)CCSC)c([N+](=O)[O-])cc1F ZINC000184261215 432373592 /nfs/dbraw/zinc/37/35/92/432373592.db2.gz CLJKYZJHPFBCNI-SNVBAGLBSA-N 1 1 316.398 3.316 20 5 DGBDMO Cc1ccc(C(C)(C)C[N@@H+](C)CCn2cc([N+](=O)[O-])cn2)cc1 ZINC000174877373 432377715 /nfs/dbraw/zinc/37/77/15/432377715.db2.gz VEQFHIFLUBOJKL-UHFFFAOYSA-N 1 1 316.405 3.009 20 5 DGBDMO COc1ccc(C[N@H+](Cc2cccnc2)C2CC2)cc1[N+](=O)[O-] ZINC000271363654 432380915 /nfs/dbraw/zinc/38/09/15/432380915.db2.gz LNKWAHRDVIOLEG-UHFFFAOYSA-N 1 1 313.357 3.163 20 5 DGBDMO COc1ccc(C[N@@H+](Cc2cccnc2)C2CC2)cc1[N+](=O)[O-] ZINC000271363654 432380918 /nfs/dbraw/zinc/38/09/18/432380918.db2.gz LNKWAHRDVIOLEG-UHFFFAOYSA-N 1 1 313.357 3.163 20 5 DGBDMO C[C@H]1CCCC[C@H]1[N@@H+](C)CC(=O)Nc1ccccc1[N+](=O)[O-] ZINC000192623311 432394069 /nfs/dbraw/zinc/39/40/69/432394069.db2.gz LVIVOVSUQTXHAI-GXTWGEPZSA-N 1 1 305.378 3.044 20 5 DGBDMO CC(C)OC(=O)C[C@@H]1CCC[N@@H+](Cc2ccc([N+](=O)[O-])cc2)C1 ZINC000184478558 432396771 /nfs/dbraw/zinc/39/67/71/432396771.db2.gz PBUILWTVRCVMNS-HNNXBMFYSA-N 1 1 320.389 3.149 20 5 DGBDMO C[C@H](N[C@@H]1CC[N@H+](C2CCCC2)C1)c1ccc([N+](=O)[O-])cc1 ZINC000153783228 432443762 /nfs/dbraw/zinc/44/37/62/432443762.db2.gz ZBMBGYLRLWBHRN-DZGCQCFKSA-N 1 1 303.406 3.262 20 5 DGBDMO C[C@H]([NH2+][C@@H]1CCN(C2CCCC2)C1)c1ccc([N+](=O)[O-])cc1 ZINC000153783228 432443765 /nfs/dbraw/zinc/44/37/65/432443765.db2.gz ZBMBGYLRLWBHRN-DZGCQCFKSA-N 1 1 303.406 3.262 20 5 DGBDMO Cc1c(CN[C@@H]2CCC[C@@H]2[C@@H]2CCCC[NH2+]2)cccc1[N+](=O)[O-] ZINC000261812630 432452936 /nfs/dbraw/zinc/45/29/36/432452936.db2.gz GPGASGMXXKKPDE-IXDOHACOSA-N 1 1 317.433 3.304 20 5 DGBDMO O=[N+]([O-])c1cc(C[N@@H+]2CCC[C@H](c3cc[nH]n3)C2)ccc1Cl ZINC000153460601 432412374 /nfs/dbraw/zinc/41/23/74/432412374.db2.gz ZTKZWHNNPLOTIU-LBPRGKRZSA-N 1 1 320.780 3.351 20 5 DGBDMO O=[N+]([O-])c1cc(C[N@H+]2CCC[C@H](c3cc[nH]n3)C2)ccc1Cl ZINC000153460601 432412378 /nfs/dbraw/zinc/41/23/78/432412378.db2.gz ZTKZWHNNPLOTIU-LBPRGKRZSA-N 1 1 320.780 3.351 20 5 DGBDMO CCOc1ccc([C@H](C)NCC[N@H+](CC)C2CC2)cc1[N+](=O)[O-] ZINC000153493104 432414013 /nfs/dbraw/zinc/41/40/13/432414013.db2.gz XBEPZJHNUMXADQ-ZDUSSCGKSA-N 1 1 321.421 3.128 20 5 DGBDMO CCOc1ccc([C@H](C)NCC[N@@H+](CC)C2CC2)cc1[N+](=O)[O-] ZINC000153493104 432414016 /nfs/dbraw/zinc/41/40/16/432414016.db2.gz XBEPZJHNUMXADQ-ZDUSSCGKSA-N 1 1 321.421 3.128 20 5 DGBDMO CC[C@@H](NC1CC[NH+](C2CC2)CC1)c1cccc([N+](=O)[O-])c1 ZINC000192838322 432420833 /nfs/dbraw/zinc/42/08/33/432420833.db2.gz NZKLHJHNNYKJJO-QGZVFWFLSA-N 1 1 303.406 3.262 20 5 DGBDMO O=[N+]([O-])c1ccn(CC[N@H+]2CCC[C@@H]2c2ccc(Cl)cc2)n1 ZINC000176204339 432499800 /nfs/dbraw/zinc/49/98/00/432499800.db2.gz OABQWOMMHOQEGX-CQSZACIVSA-N 1 1 320.780 3.282 20 5 DGBDMO C[C@H](c1ccccc1Cl)[N@@H+](C)CCn1ccc([N+](=O)[O-])n1 ZINC000176212780 432501014 /nfs/dbraw/zinc/50/10/14/432501014.db2.gz YNKVQZQUPFVHGN-LLVKDONJSA-N 1 1 308.769 3.138 20 5 DGBDMO CC(C)[C@H](c1ccccc1)[N@@H+](C)CCn1ccc([N+](=O)[O-])n1 ZINC000176242805 432502866 /nfs/dbraw/zinc/50/28/66/432502866.db2.gz YXJRCNXULBKWGO-MRXNPFEDSA-N 1 1 302.378 3.120 20 5 DGBDMO C[C@H](Cc1ccc(Cl)cc1)[N@@H+](C)CCn1ccc([N+](=O)[O-])n1 ZINC000176249496 432504828 /nfs/dbraw/zinc/50/48/28/432504828.db2.gz ACPJEHNUZWFXMC-GFCCVEGCSA-N 1 1 322.796 3.008 20 5 DGBDMO CC[C@@H]1[C@H](C)CC[N@H+]1Cc1cc([N+](=O)[O-])cc2c1OCOC2 ZINC000185611009 432514378 /nfs/dbraw/zinc/51/43/78/432514378.db2.gz JKTHOIUMUNZHNB-IAQYHMDHSA-N 1 1 306.362 3.082 20 5 DGBDMO C[N@H+](Cc1ccc([N+](=O)[O-])cc1)C[C@@H]1OCCc2ccccc21 ZINC000263748946 432573347 /nfs/dbraw/zinc/57/33/47/432573347.db2.gz SDOQTQKTVGAYCW-SFHVURJKSA-N 1 1 312.369 3.341 20 5 DGBDMO CC(C)(C)OC(=O)C1CC[NH+](Cc2cccc([N+](=O)[O-])c2)CC1 ZINC000263884583 432588341 /nfs/dbraw/zinc/58/83/41/432588341.db2.gz OKTJDCHLIMBBPP-UHFFFAOYSA-N 1 1 320.389 3.149 20 5 DGBDMO C[C@H](C(=O)Nc1ccc([N+](=O)[O-])cc1)[N@@H+]1C[C@@H]2CCCC[C@@H]2C1 ZINC000177561270 432638368 /nfs/dbraw/zinc/63/83/68/432638368.db2.gz VTHJVRATPABGFD-MCIONIFRSA-N 1 1 317.389 3.044 20 5 DGBDMO CCC(CC)[N@H+](Cc1ccc(C(N)=O)cc1[N+](=O)[O-])CC(C)C ZINC000177863289 432669490 /nfs/dbraw/zinc/66/94/90/432669490.db2.gz CZDAGLAEEIIKLT-UHFFFAOYSA-N 1 1 321.421 3.340 20 5 DGBDMO O=[N+]([O-])c1ccc(C[N@H+](C[C@@H](O)c2ccccc2)C2CC2)cc1 ZINC000265453066 432700889 /nfs/dbraw/zinc/70/08/89/432700889.db2.gz XAHFTFAGWFWYIQ-GOSISDBHSA-N 1 1 312.369 3.293 20 5 DGBDMO O=[N+]([O-])c1cccc(F)c1C[NH+]1CCC([C@@H]2CCCO2)CC1 ZINC000189121394 432765446 /nfs/dbraw/zinc/76/54/46/432765446.db2.gz SPRLFZPSPKMVCK-INIZCTEOSA-N 1 1 308.353 3.125 20 5 DGBDMO CC[N@@H+](C)C[C@H]1CCN([C@H](C)c2cc([N+](=O)[O-])ccc2C)C1 ZINC000245521597 432839193 /nfs/dbraw/zinc/83/91/93/432839193.db2.gz KYSJMJIAVXXARN-HUUCEWRRSA-N 1 1 305.422 3.238 20 5 DGBDMO Cc1ccc([N+](=O)[O-])cc1NC(=O)C[N@H+]1CCC[C@@H]2CCC[C@H]21 ZINC000245466764 432834918 /nfs/dbraw/zinc/83/49/18/432834918.db2.gz ZFKKPMXIHJJQLI-XJKSGUPXSA-N 1 1 317.389 3.106 20 5 DGBDMO C[C@H]1C[N@@H+](Cc2cc([N+](=O)[O-])cc3c2OCOC3)C(C)(C)C1 ZINC000266903342 432796391 /nfs/dbraw/zinc/79/63/91/432796391.db2.gz AHBRXMFTBVJWDI-LLVKDONJSA-N 1 1 306.362 3.082 20 5 DGBDMO CC[C@@H](C)C[N@@H+](CC)[C@H](C)C(=O)Nc1ccccc1[N+](=O)[O-] ZINC000245755596 432861244 /nfs/dbraw/zinc/86/12/44/432861244.db2.gz HOHQRLJCUQOEKL-CHWSQXEVSA-N 1 1 307.394 3.290 20 5 DGBDMO Cc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@@H+]1CC[C@@H](C)[C@@H](C)C1 ZINC000245947281 432872880 /nfs/dbraw/zinc/87/28/80/432872880.db2.gz RYJMGQRRTGCIND-OCCSQVGLSA-N 1 1 319.405 3.210 20 5 DGBDMO CC[NH+]1CCC(N[C@@H]2CCCc3ccc([N+](=O)[O-])cc32)CC1 ZINC000278295827 432890804 /nfs/dbraw/zinc/89/08/04/432890804.db2.gz RIYIBVTZLXOZPW-QGZVFWFLSA-N 1 1 303.406 3.046 20 5 DGBDMO C[C@H](O)[C@H]1C[C@H](C)CC[N@H+]1Cc1ccc([N+](=O)[O-])cc1Cl ZINC000331292507 432938392 /nfs/dbraw/zinc/93/83/92/432938392.db2.gz QJKDCMMQJAXRPX-JRPNMDOOSA-N 1 1 312.797 3.230 20 5 DGBDMO C[C@@H]1C[C@H](c2ccccc2)[C@@H](C)[N@H+]1CCn1ccc([N+](=O)[O-])n1 ZINC000296912041 432938714 /nfs/dbraw/zinc/93/87/14/432938714.db2.gz WIWKIBLGAMDRLF-FMKPAKJESA-N 1 1 314.389 3.058 20 5 DGBDMO Cc1ccc([N+](=O)[O-])cc1NC(=O)C[N@H+]1CCC[C@@H]1C(C)(C)C ZINC000330624510 432920166 /nfs/dbraw/zinc/92/01/66/432920166.db2.gz RLJSJVVXKSCPTM-OAHLLOKOSA-N 1 1 319.405 3.352 20 5 DGBDMO Cc1cnn([C@H]2CC[N@H+]([C@@H](C)c3cc([N+](=O)[O-])ccc3C)C2)c1 ZINC000290033935 432983059 /nfs/dbraw/zinc/98/30/59/432983059.db2.gz VZLVHGWRQSCZLK-HOCLYGCPSA-N 1 1 314.389 3.416 20 5 DGBDMO C[C@@H]1CC[N@@H+](Cc2cc([N+](=O)[O-])cc3c2OCOC3)CC1(C)C ZINC000332230624 432988175 /nfs/dbraw/zinc/98/81/75/432988175.db2.gz QDHPFNUFGIDZBN-GFCCVEGCSA-N 1 1 320.389 3.329 20 5 DGBDMO C[C@H](c1ccccc1[N+](=O)[O-])[N@H+]1CCC[C@@H](c2ccnn2C)C1 ZINC000332368597 433001368 /nfs/dbraw/zinc/00/13/68/433001368.db2.gz WJRGMENQKXGUAA-ZIAGYGMSSA-N 1 1 314.389 3.269 20 5 DGBDMO Cc1nccn1CCC[N@H+](C)C/C=C/c1ccccc1[N+](=O)[O-] ZINC000290363452 433037972 /nfs/dbraw/zinc/03/79/72/433037972.db2.gz GYUNMADOAPENQW-VMPITWQZSA-N 1 1 314.389 3.135 20 5 DGBDMO Cc1cc(-c2noc(C[N@@H+]3[C@H](C)CC[C@@H]3C)n2)cc([N+](=O)[O-])c1 ZINC000453293152 433070919 /nfs/dbraw/zinc/07/09/19/433070919.db2.gz PMQRDCDKXAQOOB-TXEJJXNPSA-N 1 1 316.361 3.326 20 5 DGBDMO C[N@@H+](Cc1nc2cc([N+](=O)[O-])ccc2[nH]1)C(C1CC1)C1CC1 ZINC000361256838 433065046 /nfs/dbraw/zinc/06/50/46/433065046.db2.gz DLAFYFWFHIKQAG-UHFFFAOYSA-N 1 1 300.362 3.092 20 5 DGBDMO Cc1ccc(N2CCC[C@H](c3[nH+]ccn3C)C2)c([N+](=O)[O-])c1 ZINC000373059488 433083964 /nfs/dbraw/zinc/08/39/64/433083964.db2.gz QPOXADJEAVWLJF-ZDUSSCGKSA-N 1 1 300.362 3.021 20 5 DGBDMO CCCCn1cc(C[NH2+]Cc2ccc([N+](=O)[O-])cc2F)c(C)n1 ZINC000350257717 433121976 /nfs/dbraw/zinc/12/19/76/433121976.db2.gz VYTAOGHUKQQPJP-UHFFFAOYSA-N 1 1 320.368 3.329 20 5 DGBDMO CCC[C@H](C)[N@@H+](C)Cc1nc(-c2cccc([N+](=O)[O-])c2)no1 ZINC000298430561 433137200 /nfs/dbraw/zinc/13/72/00/433137200.db2.gz NQIVVVQCTUDWQI-NSHDSACASA-N 1 1 304.350 3.265 20 5 DGBDMO CC(C)CC[C@H](O)C[N@@H+](Cc1ccccc1[N+](=O)[O-])C1CC1 ZINC000361320163 433104420 /nfs/dbraw/zinc/10/44/20/433104420.db2.gz GKMNALCGPIUMHU-INIZCTEOSA-N 1 1 306.406 3.356 20 5 DGBDMO CC(C)[C@H](C)[N@@H+](C)Cc1nnc(-c2ccc([N+](=O)[O-])cc2)o1 ZINC000298382001 433114274 /nfs/dbraw/zinc/11/42/74/433114274.db2.gz AJJYLLKINDUDNY-NSHDSACASA-N 1 1 304.350 3.121 20 5 DGBDMO C[C@@H]1[C@@H](Nc2ccc([N+](=O)[O-])cn2)CC[N@H+]1Cc1ccccc1 ZINC000336719408 433184013 /nfs/dbraw/zinc/18/40/13/433184013.db2.gz SDUDYZMHQXEYCZ-CJNGLKHVSA-N 1 1 312.373 3.065 20 5 DGBDMO CCC[C@@H]([NH2+][C@@H]1CCc2cn[nH]c2C1)c1cccc([N+](=O)[O-])c1 ZINC000374445201 433192663 /nfs/dbraw/zinc/19/26/63/433192663.db2.gz XVZDOTIBQPZWRK-GDBMZVCRSA-N 1 1 314.389 3.306 20 5 DGBDMO Cc1ccc([C@H](C)[N@@H+](C)CCn2cc([N+](=O)[O-])cn2)c(C)c1 ZINC000350724569 433264450 /nfs/dbraw/zinc/26/44/50/433264450.db2.gz LWWPPVARUCSXTJ-AWEZNQCLSA-N 1 1 302.378 3.101 20 5 DGBDMO COc1cccc(NC[C@@H]2[N@@H+](C)CCCC2(C)C)c1[N+](=O)[O-] ZINC000447805498 433284775 /nfs/dbraw/zinc/28/47/75/433284775.db2.gz IUDHTWCEVDFQRS-AWEZNQCLSA-N 1 1 307.394 3.136 20 5 DGBDMO CC[N@H+](CCC(=O)Nc1cccc([N+](=O)[O-])c1C)CCC1CC1 ZINC000355033333 433426642 /nfs/dbraw/zinc/42/66/42/433426642.db2.gz DINCSFCGZIUGSX-UHFFFAOYSA-N 1 1 319.405 3.354 20 5 DGBDMO Cn1cnc([N+](=O)[O-])c1C[N@H+]1CC[C@H](c2ccccc2)C1(C)C ZINC000421029191 433399101 /nfs/dbraw/zinc/39/91/01/433399101.db2.gz XGPCFTIVYWTBFA-CQSZACIVSA-N 1 1 314.389 3.096 20 5 DGBDMO CO[C@@H]1CC[N@@H+](Cc2cc([N+](=O)[O-])ccc2OC(C)C)[C@H](C)C1 ZINC000281860777 433411410 /nfs/dbraw/zinc/41/14/10/433411410.db2.gz ALUZVHARBLHNQK-CZUORRHYSA-N 1 1 322.405 3.381 20 5 DGBDMO CC[C@H](C)[N@@H+](C)CCNc1ccc([N+](=O)[O-])c2cnccc12 ZINC000301149958 433433871 /nfs/dbraw/zinc/43/38/71/433433871.db2.gz MGTWZYWNTVYFRY-LBPRGKRZSA-N 1 1 302.378 3.285 20 5 DGBDMO CC(=O)c1ccc(N[C@H]2CC[N@H+](C3CCCC3)C2)c([N+](=O)[O-])c1 ZINC000301212568 433457074 /nfs/dbraw/zinc/45/70/74/433457074.db2.gz XPZYMFXZOFZAFR-AWEZNQCLSA-N 1 1 317.389 3.226 20 5 DGBDMO COc1cc(C[N@H+]2CC[C@@H](C)C[C@H](C)C2)c([N+](=O)[O-])cc1OC ZINC000355105476 433464032 /nfs/dbraw/zinc/46/40/32/433464032.db2.gz HYWPTTSWAOHYSW-OLZOCXBDSA-N 1 1 322.405 3.480 20 5 DGBDMO C[C@H]1CC[N@@H+](CCC(=O)Nc2ccccc2[N+](=O)[O-])[C@@H](C)C1 ZINC000282148670 433512678 /nfs/dbraw/zinc/51/26/78/433512678.db2.gz SORDXVIWNVECEB-STQMWFEESA-N 1 1 305.378 3.044 20 5 DGBDMO C[C@@H]1C[N@@H+](C)[C@@H](C)CN1c1ccc([N+](=O)[O-])c(C(F)(F)F)c1 ZINC000351499955 433535543 /nfs/dbraw/zinc/53/55/43/433535543.db2.gz DSTHIKNFVLCTHS-VHSXEESVSA-N 1 1 317.311 3.142 20 5 DGBDMO Cc1cc([C@@H](C)[NH2+][C@@H](C)c2ccc(C)c([N+](=O)[O-])c2)nn1C ZINC000282238067 433539865 /nfs/dbraw/zinc/53/98/65/433539865.db2.gz PSINEMFINDEMPF-QWHCGFSZSA-N 1 1 302.378 3.357 20 5 DGBDMO Cc1ccnc(N[C@H](C)C[N@@H+]2C[C@H](C)C[C@H](C)C2)c1[N+](=O)[O-] ZINC000301276682 433485791 /nfs/dbraw/zinc/48/57/91/433485791.db2.gz IZHSCYZIGCUSRY-MBNYWOFBSA-N 1 1 306.410 3.077 20 5 DGBDMO Cc1cc([N+](=O)[O-])cnc1NC[C@@H](C)[N@@H+](C)Cc1ccccc1 ZINC000301298665 433494976 /nfs/dbraw/zinc/49/49/76/433494976.db2.gz YZOCRRAFVGVUGO-CQSZACIVSA-N 1 1 314.389 3.231 20 5 DGBDMO O=C(C[N@H+]1CC[C@H]2CCC[C@H]21)Nc1ccc(Cl)cc1[N+](=O)[O-] ZINC000426454559 433503610 /nfs/dbraw/zinc/50/36/10/433503610.db2.gz QNKOUTOIWOWSTF-ZWNOBZJWSA-N 1 1 323.780 3.061 20 5 DGBDMO Cc1ccc([N+](=O)[O-])c(NCC[N@H+]2CCc3sccc3C2)c1 ZINC000301582262 433622770 /nfs/dbraw/zinc/62/27/70/433622770.db2.gz UFTLHVKIILGAQU-UHFFFAOYSA-N 1 1 317.414 3.435 20 5 DGBDMO Cc1ccc(C[N@H+]2C[C@H](O)C[C@H]2c2ccccc2)cc1[N+](=O)[O-] ZINC000414491056 433662506 /nfs/dbraw/zinc/66/25/06/433662506.db2.gz WPAJSZKRBUZXBH-AEFFLSMTSA-N 1 1 312.369 3.211 20 5 DGBDMO C[C@H](C[N@H+](C)Cc1ccccc1)NCc1cccc([N+](=O)[O-])c1 ZINC000342414743 433674905 /nfs/dbraw/zinc/67/49/05/433674905.db2.gz CSUYNBAYXMWAOS-OAHLLOKOSA-N 1 1 313.401 3.205 20 5 DGBDMO C[C@H](C[N@@H+](C)Cc1ccccc1)NCc1cccc([N+](=O)[O-])c1 ZINC000342414743 433674915 /nfs/dbraw/zinc/67/49/15/433674915.db2.gz CSUYNBAYXMWAOS-OAHLLOKOSA-N 1 1 313.401 3.205 20 5 DGBDMO CC[C@@]1(C)CCC[N@@H+]([C@@H](C)C(=O)Nc2ccccc2[N+](=O)[O-])C1 ZINC000362384444 433679346 /nfs/dbraw/zinc/67/93/46/433679346.db2.gz FRYMOGRQGOOXFN-GUYCJALGSA-N 1 1 319.405 3.434 20 5 DGBDMO CC[C@@]1(C)CCC[N@H+]([C@@H](C)C(=O)Nc2ccccc2[N+](=O)[O-])C1 ZINC000362384444 433679352 /nfs/dbraw/zinc/67/93/52/433679352.db2.gz FRYMOGRQGOOXFN-GUYCJALGSA-N 1 1 319.405 3.434 20 5 DGBDMO Cc1ccc(C[N@@H+](CCO)Cc2ccc([N+](=O)[O-])c(F)c2)cc1 ZINC000283183483 433683942 /nfs/dbraw/zinc/68/39/42/433683942.db2.gz QFNVUNKSHYJIMF-UHFFFAOYSA-N 1 1 318.348 3.037 20 5 DGBDMO O=[N+]([O-])c1ccc(C[N@H+]2CCC[C@@H](C[C@@H]3CCOC3)C2)cc1F ZINC000366996979 293011793 /nfs/dbraw/zinc/01/17/93/293011793.db2.gz POLAUIWFHKEMLY-ZFWWWQNUSA-N 1 1 322.380 3.373 20 5 DGBDMO CC[C@@H]1CCCC[N@H+]1CCNc1ncc(Cl)cc1[N+](=O)[O-] ZINC000301747574 433707901 /nfs/dbraw/zinc/70/79/01/433707901.db2.gz RDGRZRFHZGJCSJ-GFCCVEGCSA-N 1 1 312.801 3.320 20 5 DGBDMO CCSCC[C@H](C)[N@@H+](C)CCOc1ccc([N+](=O)[O-])cc1 ZINC000362447691 433722970 /nfs/dbraw/zinc/72/29/70/433722970.db2.gz CWPFYETUKXVKCT-ZDUSSCGKSA-N 1 1 312.435 3.437 20 5 DGBDMO CC(C)CN1CCC([NH2+][C@H](C)Cc2ccccc2[N+](=O)[O-])CC1 ZINC000449072418 433723386 /nfs/dbraw/zinc/72/33/86/433723386.db2.gz KDBRLDLRDJRAAU-OAHLLOKOSA-N 1 1 319.449 3.236 20 5 DGBDMO C[C@H]1CC[C@H]([N@@H+](C)Cc2cc([N+](=O)[O-])cc3c2OCOC3)C1 ZINC000429573256 433779869 /nfs/dbraw/zinc/77/98/69/433779869.db2.gz YSYISLOUCSKUQQ-FZMZJTMJSA-N 1 1 306.362 3.082 20 5 DGBDMO CCOc1ccc([N+](=O)[O-])cc1C[N@H+]1CCC[C@H]1[C@H]1CCCO1 ZINC000283942911 433803614 /nfs/dbraw/zinc/80/36/14/433803614.db2.gz AFQYUUPECLWHIZ-DOTOQJQBSA-N 1 1 320.389 3.137 20 5 DGBDMO Cc1cc(N[C@H](C)C[N@@H+](C)Cc2ccccc2)ncc1[N+](=O)[O-] ZINC000302041036 433814314 /nfs/dbraw/zinc/81/43/14/433814314.db2.gz WJVDUYNAJYGYRX-CQSZACIVSA-N 1 1 314.389 3.231 20 5 DGBDMO CCc1noc(CC)c1C[NH2+][C@H](C)c1ccc(N)c([N+](=O)[O-])c1 ZINC000284151598 433846573 /nfs/dbraw/zinc/84/65/73/433846573.db2.gz PIGXLYRZKVVEPI-SNVBAGLBSA-N 1 1 318.377 3.141 20 5 DGBDMO O=[N+]([O-])c1ccc(CN2CCC([C@H]3CC[NH2+]C3)CC2)c(Cl)c1 ZINC000357058617 433848113 /nfs/dbraw/zinc/84/81/13/433848113.db2.gz VWXNJIAOBTYJMD-ZDUSSCGKSA-N 1 1 323.824 3.070 20 5 DGBDMO O=[N+]([O-])c1cccc(-c2ccc(C[N@@H+]3CCC[C@@H](O)CC3)o2)c1 ZINC000293870474 433900646 /nfs/dbraw/zinc/90/06/46/433900646.db2.gz CMEOUDXUFYGULT-OAHLLOKOSA-N 1 1 316.357 3.202 20 5 DGBDMO C[C@H](N[C@@H]1CC[N@H+](C2CCCC2)C1)c1cccc([N+](=O)[O-])c1 ZINC000362895444 433901502 /nfs/dbraw/zinc/90/15/02/433901502.db2.gz BLVWHPFMOOTGJO-DZGCQCFKSA-N 1 1 303.406 3.262 20 5 DGBDMO C[C@H]([NH2+][C@@H]1CCN(C2CCCC2)C1)c1cccc([N+](=O)[O-])c1 ZINC000362895444 433901510 /nfs/dbraw/zinc/90/15/10/433901510.db2.gz BLVWHPFMOOTGJO-DZGCQCFKSA-N 1 1 303.406 3.262 20 5 DGBDMO CC[N@H+]1C[C@H](C)N(c2ccc([N+](=O)[O-])c3cnccc32)C[C@@H]1C ZINC000345173135 433902010 /nfs/dbraw/zinc/90/20/10/433902010.db2.gz MJSVPYVKCRDPQL-STQMWFEESA-N 1 1 314.389 3.062 20 5 DGBDMO [NH3+][C@@H]1CCC[C@H](NCc2ccc(-c3ccc([N+](=O)[O-])cc3)o2)C1 ZINC000414909911 433914418 /nfs/dbraw/zinc/91/44/18/433914418.db2.gz CQRNGXFRQRSFAT-KGLIPLIRSA-N 1 1 315.373 3.214 20 5 DGBDMO CC[N@@H+](CCNc1ccc([N+](=O)[O-])cc1OC(F)F)C(C)C ZINC000357238889 433924582 /nfs/dbraw/zinc/92/45/82/433924582.db2.gz YRGOPQTTYIHZSH-UHFFFAOYSA-N 1 1 317.336 3.338 20 5 DGBDMO O=[N+]([O-])c1cnn(CC[N@H+]2CCC[C@@H]2CCC2CCCC2)c1 ZINC000362954008 433926069 /nfs/dbraw/zinc/92/60/69/433926069.db2.gz FQOHYXIWDQEDOP-OAHLLOKOSA-N 1 1 306.410 3.226 20 5 DGBDMO C[NH2+]C[C@@H](C)CNCc1ccc(-c2ccccc2[N+](=O)[O-])s1 ZINC000414841379 433879280 /nfs/dbraw/zinc/87/92/80/433879280.db2.gz NUDMKBGDCLPALT-GFCCVEGCSA-N 1 1 319.430 3.268 20 5 DGBDMO C[C@H](C(=O)Nc1ccccc1[N+](=O)[O-])[N@H+]1CCCC(C)(C)CC1 ZINC000303893924 433971791 /nfs/dbraw/zinc/97/17/91/433971791.db2.gz KNSQEFAXYHFDPB-CYBMUJFWSA-N 1 1 319.405 3.434 20 5 DGBDMO CO[C@@H](Cc1ccccc1)C[N@@H+](C)Cc1ccccc1[N+](=O)[O-] ZINC000450225825 434038035 /nfs/dbraw/zinc/03/80/35/434038035.db2.gz HMYNUMPIOIZRGC-KRWDZBQOSA-N 1 1 314.385 3.284 20 5 DGBDMO Cn1cnc([N+](=O)[O-])c1C[N@H+]1CCCC2(C1)CCCCCC2 ZINC000377959213 434044475 /nfs/dbraw/zinc/04/44/75/434044475.db2.gz UVDQXPZDQVKQAF-UHFFFAOYSA-N 1 1 306.410 3.265 20 5 DGBDMO O=[N+]([O-])c1cccc2c1ccnc2N[C@@H]1CC[N@H+]2CCCC[C@H]12 ZINC000450257966 434063073 /nfs/dbraw/zinc/06/30/73/434063073.db2.gz YJOCRMYECBBMGR-GDBMZVCRSA-N 1 1 312.373 3.182 20 5 DGBDMO C[C@H]1[C@@H](Nc2cccnc2[N+](=O)[O-])CC[N@H+]1Cc1ccccc1 ZINC000309878562 434102817 /nfs/dbraw/zinc/10/28/17/434102817.db2.gz IVUKESPJGQNSIB-ZFWWWQNUSA-N 1 1 312.373 3.065 20 5 DGBDMO COc1ccc([N+](=O)[O-])cc1C[N@H+](Cc1cccnc1)C(C)C ZINC000357616709 434104237 /nfs/dbraw/zinc/10/42/37/434104237.db2.gz ZJOHPBATEBVAMC-UHFFFAOYSA-N 1 1 315.373 3.409 20 5 DGBDMO COc1ccc([N+](=O)[O-])cc1C[N@@H+](Cc1cccnc1)C(C)C ZINC000357616709 434104248 /nfs/dbraw/zinc/10/42/48/434104248.db2.gz ZJOHPBATEBVAMC-UHFFFAOYSA-N 1 1 315.373 3.409 20 5 DGBDMO Cc1nc(C[NH3+])ccc1[C@@H](C)N[C@H](C)c1cccc([N+](=O)[O-])c1 ZINC000422937387 434124098 /nfs/dbraw/zinc/12/40/98/434124098.db2.gz GINJJSNLFGEZFC-VXGBXAGGSA-N 1 1 314.389 3.169 20 5 DGBDMO O=[N+]([O-])c1ccccc1C[N@H+]1CC[C@@H](COc2ccccc2)C1 ZINC000505841552 294255971 /nfs/dbraw/zinc/25/59/71/294255971.db2.gz WWUJFNINWSXAGM-OAHLLOKOSA-N 1 1 312.369 3.496 20 5 DGBDMO COCC[N@@H+](Cc1ccc(-c2ccc([N+](=O)[O-])cc2)o1)C1CC1 ZINC000507151940 294284798 /nfs/dbraw/zinc/28/47/98/294284798.db2.gz MQCOBJLEKRXGNA-UHFFFAOYSA-N 1 1 316.357 3.466 20 5 DGBDMO CC[N@H+]1C[C@@H](C)N(Cc2ccc(Cl)cc2[N+](=O)[O-])C[C@@H]1C ZINC000346172635 434170508 /nfs/dbraw/zinc/17/05/08/434170508.db2.gz GCULEHSXYRPXEC-NWDGAFQWSA-N 1 1 311.813 3.163 20 5 DGBDMO CCO[C@@H]1C[C@@H]([N@@H+](C)CCc2ccc([N+](=O)[O-])cc2)C12CCC2 ZINC000357814920 434196313 /nfs/dbraw/zinc/19/63/13/434196313.db2.gz UXPLTLICFBVODW-IAGOWNOFSA-N 1 1 318.417 3.417 20 5 DGBDMO CC(C)[N@H+]1CCCC[C@H]1CN1CCc2ccc([N+](=O)[O-])cc2C1 ZINC000450485373 434220881 /nfs/dbraw/zinc/22/08/81/434220881.db2.gz NGNOLWXFZPRVJD-SFHVURJKSA-N 1 1 317.433 3.216 20 5 DGBDMO Cc1cc(N[C@H]2CC[N@H+](C)[C@@H](C)C2)c2cc([N+](=O)[O-])ccc2n1 ZINC000322737229 434263294 /nfs/dbraw/zinc/26/32/94/434263294.db2.gz XKBMCBZBYZBBSM-STQMWFEESA-N 1 1 314.389 3.346 20 5 DGBDMO Cc1cc(N[C@H]2CC[N@@H+](C)[C@@H](C)C2)c2cc([N+](=O)[O-])ccc2n1 ZINC000322737229 434263301 /nfs/dbraw/zinc/26/33/01/434263301.db2.gz XKBMCBZBYZBBSM-STQMWFEESA-N 1 1 314.389 3.346 20 5 DGBDMO O=[N+]([O-])c1ccc(N[C@H]2CC[N@@H+](CCC3=CCCCC3)C2)nc1 ZINC000450567047 434269981 /nfs/dbraw/zinc/26/99/81/434269981.db2.gz LHJBIDMRGDUCCD-HNNXBMFYSA-N 1 1 316.405 3.367 20 5 DGBDMO COc1ccc([N+](=O)[O-])cc1Cn1c[nH+]c2c1C[C@@H](C)[C@@H](C)C2 ZINC000323944336 434271537 /nfs/dbraw/zinc/27/15/37/434271537.db2.gz BFRCGAWLCWPEHN-NWDGAFQWSA-N 1 1 315.373 3.219 20 5 DGBDMO O=[N+]([O-])c1ccccc1C[N@H+]1CC[C@@H](n2ncc3ccccc32)C1 ZINC000378562488 434222519 /nfs/dbraw/zinc/22/25/19/434222519.db2.gz FJGCONSDMXQNJR-MRXNPFEDSA-N 1 1 322.368 3.392 20 5 DGBDMO C[N@@H+](Cc1cc([N+](=O)[O-])ccc1C(F)(F)F)CC(C)(C)CO ZINC000295272516 434283403 /nfs/dbraw/zinc/28/34/03/434283403.db2.gz SCOPUBRVBZSJEQ-UHFFFAOYSA-N 1 1 320.311 3.064 20 5 DGBDMO O=[N+]([O-])c1ccccc1OCC[N@H+]1CCS[C@@H]2CCCC[C@H]21 ZINC000437544409 434287072 /nfs/dbraw/zinc/28/70/72/434287072.db2.gz ZLHNGSUKHBJZOF-GDBMZVCRSA-N 1 1 322.430 3.334 20 5 DGBDMO C[N@@H+](CCNc1ncc(Cl)cc1[N+](=O)[O-])Cc1ccccc1 ZINC000387327240 434321000 /nfs/dbraw/zinc/32/10/00/434321000.db2.gz CXIWPBBCVSJPRJ-UHFFFAOYSA-N 1 1 320.780 3.187 20 5 DGBDMO O=[N+]([O-])c1ccc(NC[C@@H]2CC[N@H+](C3CC3)C2)c2cccnc21 ZINC000390312222 434355068 /nfs/dbraw/zinc/35/50/68/434355068.db2.gz GGUDTKFPWHEUSP-LBPRGKRZSA-N 1 1 312.373 3.039 20 5 DGBDMO C[N@@H+](Cc1ccc(-c2ccccc2[N+](=O)[O-])o1)[C@H]1CCC[C@H]1O ZINC000348556393 434397891 /nfs/dbraw/zinc/39/78/91/434397891.db2.gz OYPWAXYIYCJHCW-JKSUJKDBSA-N 1 1 316.357 3.200 20 5 DGBDMO C[C@@H](NC[C@H]1[NH2+]CCc2ccccc21)c1cccc([N+](=O)[O-])c1 ZINC000423421093 434414737 /nfs/dbraw/zinc/41/47/37/434414737.db2.gz JRTNHSPRGZFPHP-FZKQIMNGSA-N 1 1 311.385 3.132 20 5 DGBDMO C[C@@H]([NH2+]Cc1c([N+](=O)[O-])ncn1C)c1ccc2c(c1)CCCC2 ZINC000341018473 434490717 /nfs/dbraw/zinc/49/07/17/434490717.db2.gz REYKFJJFDKXEAD-GFCCVEGCSA-N 1 1 314.389 3.058 20 5 DGBDMO COC(=O)c1cc(C[NH2+][C@@H](C)c2ccc([N+](=O)[O-])cc2)oc1C ZINC000296069456 434497721 /nfs/dbraw/zinc/49/77/21/434497721.db2.gz PSZSYGJDBDAQKG-JTQLQIEISA-N 1 1 318.329 3.134 20 5 DGBDMO O=[N+]([O-])c1ccc(-c2ccc(C[N@H+]3CCCOCC3)o2)cc1 ZINC000360072472 434502718 /nfs/dbraw/zinc/50/27/18/434502718.db2.gz CHTNJZJVMLEAGB-UHFFFAOYSA-N 1 1 302.330 3.077 20 5 DGBDMO C[N@H+]1Cc2ccccc2[C@H](Nc2cccc(F)c2[N+](=O)[O-])C1 ZINC000366758400 434502871 /nfs/dbraw/zinc/50/28/71/434502871.db2.gz KFPDQIZDWPSVBF-OAHLLOKOSA-N 1 1 301.321 3.333 20 5 DGBDMO C[N@@H+]1Cc2ccccc2[C@H](Nc2cccc(F)c2[N+](=O)[O-])C1 ZINC000366758400 434502879 /nfs/dbraw/zinc/50/28/79/434502879.db2.gz KFPDQIZDWPSVBF-OAHLLOKOSA-N 1 1 301.321 3.333 20 5 DGBDMO Cc1cc(N2CCC3(CCC[N@@H+]3C)CC2)c(F)cc1[N+](=O)[O-] ZINC000360065467 434503069 /nfs/dbraw/zinc/50/30/69/434503069.db2.gz ILHBPZNCRHCFCG-UHFFFAOYSA-N 1 1 307.369 3.107 20 5 DGBDMO CC[N@H+]1C[C@H](C)N(C/C=C\c2ccccc2[N+](=O)[O-])C[C@@H]1C ZINC000353817042 434455420 /nfs/dbraw/zinc/45/54/20/434455420.db2.gz GBRUIBYOUVSINY-SKJVMOOOSA-N 1 1 303.406 3.023 20 5 DGBDMO C[C@H]1Cc2[nH+]cn(CCOc3cccc([N+](=O)[O-])c3)c2C[C@@H]1C ZINC000451005787 434527929 /nfs/dbraw/zinc/52/79/29/434527929.db2.gz YXOIFAXAPFQUPR-STQMWFEESA-N 1 1 315.373 3.241 20 5 DGBDMO Cc1cc([N+](=O)[O-])cnc1N1CCC[C@@H]([N@@H+]2[C@H](C)CC[C@@H]2C)C1 ZINC000408086285 434540089 /nfs/dbraw/zinc/54/00/89/434540089.db2.gz HSSWDHDBHMRQCH-QLFBSQMISA-N 1 1 318.421 3.140 20 5 DGBDMO Cc1ccnc(N2CCC[C@@H]([N@@H+]3[C@H](C)CC[C@@H]3C)C2)c1[N+](=O)[O-] ZINC000408174051 434547281 /nfs/dbraw/zinc/54/72/81/434547281.db2.gz FZNAEFYELVQXGL-QLFBSQMISA-N 1 1 318.421 3.140 20 5 DGBDMO C[C@H]1CN(Cc2ccc(Cl)cc2[N+](=O)[O-])CC[N@H+](C2CC2)C1 ZINC000451090753 434558145 /nfs/dbraw/zinc/55/81/45/434558145.db2.gz UOUJWOYCWDWZPN-LBPRGKRZSA-N 1 1 323.824 3.164 20 5 DGBDMO C[C@H](C(=O)Nc1ccc([N+](=O)[O-])cc1)[N@H+]1CCCC[C@@H](C)C1 ZINC000360621601 434652808 /nfs/dbraw/zinc/65/28/08/434652808.db2.gz TZHYWJRXHNABSG-CHWSQXEVSA-N 1 1 305.378 3.044 20 5 DGBDMO C[N@H+]1CCC[C@]2(CCN(C/C=C\c3ccccc3[N+](=O)[O-])C2)C1 ZINC000354167924 434653633 /nfs/dbraw/zinc/65/36/33/434653633.db2.gz USJZSQOAKXUMLW-GINYUPMKSA-N 1 1 315.417 3.026 20 5 DGBDMO CCOC[C@@H]1CCCC[N@H+]1C/C=C\c1ccccc1[N+](=O)[O-] ZINC000459676280 434660634 /nfs/dbraw/zinc/66/06/34/434660634.db2.gz NKYGWDQEKGUXPJ-GQSKFBFOSA-N 1 1 304.390 3.499 20 5 DGBDMO Cc1ccc([N+](=O)[O-])c(N[C@H](C)C[N@@H+]2C[C@H](C)C[C@H](C)C2)n1 ZINC000360668658 434665227 /nfs/dbraw/zinc/66/52/27/434665227.db2.gz IUHJKTWSSFNIMM-MBNYWOFBSA-N 1 1 306.410 3.077 20 5 DGBDMO C[C@H]1CC[N@@H+](Cc2ccc(-c3ccc([N+](=O)[O-])cc3)o2)C[C@@H]1O ZINC000349356658 434689853 /nfs/dbraw/zinc/68/98/53/434689853.db2.gz VYVANRNULMLDSQ-LRDDRELGSA-N 1 1 316.357 3.058 20 5 DGBDMO O=[N+]([O-])c1ccc(N[C@@H]2CC[N@@H+](CCCC3CCCC3)C2)nc1 ZINC000440485071 434704767 /nfs/dbraw/zinc/70/47/67/434704767.db2.gz HPPIFJZZUMEOPE-OAHLLOKOSA-N 1 1 318.421 3.446 20 5 DGBDMO CC(C)c1ncc(C[N@@H+](C)CCc2ccc([N+](=O)[O-])cc2)cn1 ZINC000440485802 434706273 /nfs/dbraw/zinc/70/62/73/434706273.db2.gz NHJNSUFHSPPUAR-UHFFFAOYSA-N 1 1 314.389 3.183 20 5 DGBDMO C[C@@H](C1CC1)[N@@H+](CCC(=O)Nc1ccc([N+](=O)[O-])cc1)C1CC1 ZINC000411173267 434738542 /nfs/dbraw/zinc/73/85/42/434738542.db2.gz LQRKRIZHHHYZNX-LBPRGKRZSA-N 1 1 317.389 3.186 20 5 DGBDMO CCn1c(C)nc([N+](=O)[O-])c1NCCCC[N@H+]1CCCC[C@@H]1C ZINC000360961758 434744540 /nfs/dbraw/zinc/74/45/40/434744540.db2.gz UBTUMNSBGDAJRE-ZDUSSCGKSA-N 1 1 323.441 3.186 20 5 DGBDMO O=[N+]([O-])c1cc(Cl)ccc1C[N@@H+]1CCC[C@@H](c2ncc[nH]2)C1 ZINC000371880749 434765944 /nfs/dbraw/zinc/76/59/44/434765944.db2.gz ZZTHORWKOIUIKL-GFCCVEGCSA-N 1 1 320.780 3.351 20 5 DGBDMO O=[N+]([O-])c1cc(Cl)ccc1C[N@H+]1CCC[C@@H](c2ncc[nH]2)C1 ZINC000371880749 434765949 /nfs/dbraw/zinc/76/59/49/434765949.db2.gz ZZTHORWKOIUIKL-GFCCVEGCSA-N 1 1 320.780 3.351 20 5 DGBDMO Cc1ccc([C@@H]2CCC[N@H+]2Cc2c([N+](=O)[O-])ncn2C)cc1C ZINC000371827526 434756735 /nfs/dbraw/zinc/75/67/35/434756735.db2.gz WSPYLQWOHHDHAQ-HNNXBMFYSA-N 1 1 314.389 3.282 20 5 DGBDMO Cc1ccc([C@@H]2CCC[N@@H+]2Cc2c([N+](=O)[O-])ncn2C)cc1C ZINC000371827526 434756739 /nfs/dbraw/zinc/75/67/39/434756739.db2.gz WSPYLQWOHHDHAQ-HNNXBMFYSA-N 1 1 314.389 3.282 20 5 DGBDMO O=[N+]([O-])c1cccc(C[N@@H+](CCOCC2CCC2)C2CC2)c1 ZINC000419248698 434756846 /nfs/dbraw/zinc/75/68/46/434756846.db2.gz YEDHOQFQOIKJJY-UHFFFAOYSA-N 1 1 304.390 3.376 20 5 DGBDMO C[C@H]([N@@H+](C)CCC(=O)Nc1ccc([N+](=O)[O-])cc1)C1(C)CC1 ZINC000411321844 434760459 /nfs/dbraw/zinc/76/04/59/434760459.db2.gz CUHMUMRMPSVJEM-LBPRGKRZSA-N 1 1 305.378 3.044 20 5 DGBDMO C[C@@H]1[C@H](C)C[N@@H+](Cc2nc(-c3cccc([N+](=O)[O-])c3)no2)[C@H]1C ZINC000419390811 434783288 /nfs/dbraw/zinc/78/32/88/434783288.db2.gz JHYDWFCQQLVOAI-UTUOFQBUSA-N 1 1 316.361 3.121 20 5 DGBDMO C[C@@H]1C[N@@H+](Cc2nnc(-c3ccc([N+](=O)[O-])cc3)o2)[C@@H](C)[C@H]1C ZINC000419394179 434786324 /nfs/dbraw/zinc/78/63/24/434786324.db2.gz ONKACMUQNJFEIM-WOPDTQHZSA-N 1 1 316.361 3.121 20 5 DGBDMO Cc1ccn2cc(C[NH2+][C@@H](C)c3ccc([N+](=O)[O-])cc3)nc2c1 ZINC000361152648 434814202 /nfs/dbraw/zinc/81/42/02/434814202.db2.gz KBAKTRSKAJJCJW-ZDUSSCGKSA-N 1 1 310.357 3.402 20 5 DGBDMO O=[N+]([O-])c1ccc(C[N@@H+]2C[C@@H](O)C[C@H]2c2ccccc2)c(F)c1 ZINC000411959560 434847997 /nfs/dbraw/zinc/84/79/97/434847997.db2.gz YHRYZHOHAMPRTB-RDJZCZTQSA-N 1 1 316.332 3.042 20 5 DGBDMO O=[N+]([O-])c1ccc(C[N@H+]2C[C@@H](O)C[C@H]2c2ccccc2)c(F)c1 ZINC000411959560 434848000 /nfs/dbraw/zinc/84/80/00/434848000.db2.gz YHRYZHOHAMPRTB-RDJZCZTQSA-N 1 1 316.332 3.042 20 5 DGBDMO C[C@H](C(=O)Nc1cccc([N+](=O)[O-])c1)[N@H+]1CC(C)(C)C[C@@H]1C ZINC000412042011 434859650 /nfs/dbraw/zinc/85/96/50/434859650.db2.gz MARULWYTVBMSLS-NWDGAFQWSA-N 1 1 305.378 3.042 20 5 DGBDMO CCn1ccnc1[C@H](C)[NH2+][C@@H]1CCc2c1cccc2[N+](=O)[O-] ZINC000521370517 434881956 /nfs/dbraw/zinc/88/19/56/434881956.db2.gz WEQWYIUBUOCKDR-SMDDNHRTSA-N 1 1 300.362 3.149 20 5 DGBDMO CC[N@H+]1C[C@H](C)N(Cc2c(Cl)cccc2[N+](=O)[O-])C[C@H]1C ZINC000491975635 434893973 /nfs/dbraw/zinc/89/39/73/434893973.db2.gz DTNCNZQZELBEPJ-NEPJUHHUSA-N 1 1 311.813 3.163 20 5 DGBDMO O=[N+]([O-])c1cccc(Cl)c1C[N@H+]1CCC[C@@H]([C@H]2CCOC2)C1 ZINC000492175882 434930481 /nfs/dbraw/zinc/93/04/81/434930481.db2.gz NVTVMZGGXZXJJK-OLZOCXBDSA-N 1 1 324.808 3.497 20 5 DGBDMO COc1ccc(OCC[N@H+]2CC[C@H](CC3CC3)C2)c([N+](=O)[O-])c1 ZINC000555696631 434984236 /nfs/dbraw/zinc/98/42/36/434984236.db2.gz JHIAWNXFHKRBID-CQSZACIVSA-N 1 1 320.389 3.104 20 5 DGBDMO COc1ccc(OCC[N@H+]2CC[C@@H](CC3CC3)C2)c([N+](=O)[O-])c1 ZINC000555696627 434985369 /nfs/dbraw/zinc/98/53/69/434985369.db2.gz JHIAWNXFHKRBID-AWEZNQCLSA-N 1 1 320.389 3.104 20 5 DGBDMO CCO[C@@H]1C[C@H]([N@@H+](C)CCOc2ccccc2[N+](=O)[O-])C1(C)C ZINC000524893399 434995377 /nfs/dbraw/zinc/99/53/77/434995377.db2.gz QOZIWFMBITZPTO-JKSUJKDBSA-N 1 1 322.405 3.109 20 5 DGBDMO CCC[C@H]1[C@@H](C)CCC[N@H+]1CC(=O)Nc1ccccc1[N+](=O)[O-] ZINC000464740279 434995973 /nfs/dbraw/zinc/99/59/73/434995973.db2.gz QATHSECNPFJSMA-ZFWWWQNUSA-N 1 1 319.405 3.434 20 5 DGBDMO C[C@H]([N@@H+](C)CCC(=O)Nc1ccccc1[N+](=O)[O-])C(C)(C)C ZINC000558573429 435097376 /nfs/dbraw/zinc/09/73/76/435097376.db2.gz IYWAUUPTNKYOEM-LBPRGKRZSA-N 1 1 307.394 3.290 20 5 DGBDMO Cc1ccc([N+](=O)[O-])cc1[C@@H](C)NCC[N@H+]1CCC[C@@H](C)C1 ZINC000532458803 435167512 /nfs/dbraw/zinc/16/75/12/435167512.db2.gz LRMHAZFBNIBATN-UKRRQHHQSA-N 1 1 305.422 3.286 20 5 DGBDMO Cc1cccc([N+](=O)[O-])c1NC(=O)C[N@H+]1C[C@H](C)CCC[C@H]1C ZINC000532582155 435177892 /nfs/dbraw/zinc/17/78/92/435177892.db2.gz KOBUKJONWPENAK-TZMCWYRMSA-N 1 1 319.405 3.352 20 5 DGBDMO Cc1ccc([N+](=O)[O-])cc1NC(=O)C[N@H+]1C[C@H](C)CCC[C@H]1C ZINC000532572245 435177926 /nfs/dbraw/zinc/17/79/26/435177926.db2.gz NQEDELXTXBOZFA-TZMCWYRMSA-N 1 1 319.405 3.352 20 5 DGBDMO Cc1ccc([N+](=O)[O-])cc1NC(=O)C[N@H+]1C[C@@H](C)CCC[C@@H]1C ZINC000532572232 435179392 /nfs/dbraw/zinc/17/93/92/435179392.db2.gz NQEDELXTXBOZFA-JSGCOSHPSA-N 1 1 319.405 3.352 20 5 DGBDMO O=C1NCC2(C[NH+](Cc3c4ccccc4cc4ccccc43)C2)O1 ZINC000496098284 435210115 /nfs/dbraw/zinc/21/01/15/435210115.db2.gz BZRPPBYXEXKXCL-UHFFFAOYSA-N 1 1 318.376 3.287 20 5 DGBDMO Cc1cccc([N+](=O)[O-])c1NC(=O)C[N@H+]1CC[C@H](C)C(C)(C)C1 ZINC000562122777 435255289 /nfs/dbraw/zinc/25/52/89/435255289.db2.gz DGCHNMXLNPZSRT-ZDUSSCGKSA-N 1 1 319.405 3.210 20 5 DGBDMO Cc1cccc([N+](=O)[O-])c1NC(=O)C[N@@H+]1CC[C@H](C)C(C)(C)C1 ZINC000562122777 435255294 /nfs/dbraw/zinc/25/52/94/435255294.db2.gz DGCHNMXLNPZSRT-ZDUSSCGKSA-N 1 1 319.405 3.210 20 5 DGBDMO CCOc1ccc([C@@H](C)[NH2+]Cc2cc(CC)no2)cc1[N+](=O)[O-] ZINC000534329019 435279259 /nfs/dbraw/zinc/27/92/59/435279259.db2.gz GCLOKLWUUMYPPG-LLVKDONJSA-N 1 1 319.361 3.395 20 5 DGBDMO CCC(=O)c1ccc(N[C@H](C)C[N@@H+](C)C(C)C)c([N+](=O)[O-])c1 ZINC000567156409 435292475 /nfs/dbraw/zinc/29/24/75/435292475.db2.gz MPZNMUFCFRMMLS-GFCCVEGCSA-N 1 1 307.394 3.328 20 5 DGBDMO C[C@H](CCN(C)C)[NH2+][C@H]1CCC[C@@H]1Cc1ccccc1[N+](=O)[O-] ZINC000513789841 435401154 /nfs/dbraw/zinc/40/11/54/435401154.db2.gz ODJUVBBCKAAJHC-INMHGKMJSA-N 1 1 319.449 3.236 20 5 DGBDMO CC[C@@H]1CC[N@@H+](Cc2cc([N+](=O)[O-])ccc2OC(F)F)C1 ZINC000537687204 435464034 /nfs/dbraw/zinc/46/40/34/435464034.db2.gz DYGCNSIORZFBST-SNVBAGLBSA-N 1 1 300.305 3.428 20 5 DGBDMO C[C@H](C[NH+]1CCC(C)CC1)N[C@@H](C)c1cccc([N+](=O)[O-])c1 ZINC000514616141 435424987 /nfs/dbraw/zinc/42/49/87/435424987.db2.gz KNQWYAYFQKKGAG-CABCVRRESA-N 1 1 305.422 3.366 20 5 DGBDMO CCCC[C@@H](C)[N@@H+](C)CC(=O)Nc1ccc([N+](=O)[O-])cc1OC ZINC000568450304 435437814 /nfs/dbraw/zinc/43/78/14/435437814.db2.gz SEPRMAWJBFZALI-GFCCVEGCSA-N 1 1 323.393 3.052 20 5 DGBDMO Cc1cccc([N+](=O)[O-])c1NC(=O)C[N@H+](C)[C@H]1CCC(C)(C)C1 ZINC000483102040 435494546 /nfs/dbraw/zinc/49/45/46/435494546.db2.gz VWNCYACGRPWGNO-ZDUSSCGKSA-N 1 1 319.405 3.352 20 5 DGBDMO CCN1CC[C@H]([NH2+]CCCCc2ccc([N+](=O)[O-])cc2)[C@H](C)C1 ZINC000539089489 435538182 /nfs/dbraw/zinc/53/81/82/435538182.db2.gz SLRUGJHDBHQZEF-QAPCUYQASA-N 1 1 319.449 3.237 20 5 DGBDMO CC(C)[C@H]1CN(Cc2c(Cl)cccc2[N+](=O)[O-])CC[N@H+]1C ZINC000488023260 435633371 /nfs/dbraw/zinc/63/33/71/435633371.db2.gz HTSLTUXOXHCEKW-OAHLLOKOSA-N 1 1 311.813 3.020 20 5 DGBDMO Cc1ccc([N+](=O)[O-])c(N2CC[N@H+]([C@@H]3C[C@@H]3C)C[C@H](C)C2)c1 ZINC000488727930 435643878 /nfs/dbraw/zinc/64/38/78/435643878.db2.gz DYJFLSXIJFPDEZ-OFQRWUPVSA-N 1 1 303.406 3.070 20 5 DGBDMO O=[N+]([O-])c1cccc2c1CC[C@@H]2[NH2+]Cc1cn2ccsc2n1 ZINC000518398093 435638567 /nfs/dbraw/zinc/63/85/67/435638567.db2.gz UWRQZXOUJMLSFF-ZDUSSCGKSA-N 1 1 314.370 3.081 20 5 DGBDMO C[N@@H+](C/C=C\c1ccccc1[N+](=O)[O-])C1CCC(CO)CC1 ZINC000572888854 435878827 /nfs/dbraw/zinc/87/88/27/435878827.db2.gz MWIWLUPNYGAFKY-XQRVVYSFSA-N 1 1 304.390 3.091 20 5 DGBDMO O=[N+]([O-])c1ccc2c(c1)C[N@@H+](CCc1cccc(F)c1F)CC2 ZINC000544141602 314176950 /nfs/dbraw/zinc/17/69/50/314176950.db2.gz DFKSONZIMRXOGF-UHFFFAOYSA-N 1 1 318.323 3.474 20 5 DGBDMO O=[N+]([O-])c1ccc2c(c1)C[N@H+](CCc1cccc(F)c1F)CC2 ZINC000544141602 314176953 /nfs/dbraw/zinc/17/69/53/314176953.db2.gz DFKSONZIMRXOGF-UHFFFAOYSA-N 1 1 318.323 3.474 20 5 DGBDMO Cc1ccc([N+](=O)[O-])cc1[C@@H](C)[NH2+][C@H](c1nccn1C)C1CC1 ZINC000552086810 314595432 /nfs/dbraw/zinc/59/54/32/314595432.db2.gz QYSWCXRYWAHTAC-WBMJQRKESA-N 1 1 314.389 3.439 20 5 DGBDMO Cc1c(C[N@H+]2CCC[C@H]2[C@H]2CCCOC2)cccc1[N+](=O)[O-] ZINC000564326547 315169813 /nfs/dbraw/zinc/16/98/13/315169813.db2.gz JMASEQRFEIPSSS-RDJZCZTQSA-N 1 1 304.390 3.294 20 5 DGBDMO C[C@H]([NH3+])C[C@H](C)NCc1ccc(-c2ccccc2[N+](=O)[O-])o1 ZINC000564973731 315216555 /nfs/dbraw/zinc/21/65/55/315216555.db2.gz PUBLCMIQVWXOIN-RYUDHWBXSA-N 1 1 303.362 3.070 20 5 DGBDMO C[N@@H+](CCc1cccc([N+](=O)[O-])c1)Cc1ccc2c(c1)CCO2 ZINC000565848083 315292041 /nfs/dbraw/zinc/29/20/41/315292041.db2.gz OSLQIJCWZRURFN-UHFFFAOYSA-N 1 1 312.369 3.204 20 5 DGBDMO CCCC[C@H](C)[N@@H+](C)CC(=O)Nc1ccc(OC)cc1[N+](=O)[O-] ZINC000576151771 316099902 /nfs/dbraw/zinc/09/99/02/316099902.db2.gz LVTSTKXTCPHKMQ-LBPRGKRZSA-N 1 1 323.393 3.052 20 5 DGBDMO CCC[C@@H]1CCCC[N@H+]1CC(=O)N(C)c1ccc([N+](=O)[O-])cc1 ZINC000185879297 323397968 /nfs/dbraw/zinc/39/79/68/323397968.db2.gz QVTJOQNXMVIPSC-OAHLLOKOSA-N 1 1 319.405 3.212 20 5 DGBDMO CC(C)[N@H+](Cc1ccc([N+](=O)[O-])cc1)C[C@H]1CCCC[C@@H]1O ZINC000582065804 324186060 /nfs/dbraw/zinc/18/60/60/324186060.db2.gz FTMBAHFLFQXEED-WBVHZDCISA-N 1 1 306.406 3.356 20 5 DGBDMO C[C@@H]1C[C@H](C)CC[N@@H+](Cc2nc3cc([N+](=O)[O-])ccc3[nH]2)C1 ZINC000444659904 533780727 /nfs/dbraw/zinc/78/07/27/533780727.db2.gz FJVUWXMWVJPVIJ-VXGBXAGGSA-N 1 1 302.378 3.339 20 5 DGBDMO C[C@H]([NH2+]Cc1nc2cc([N+](=O)[O-])ccc2[nH]1)c1cccc(O)c1 ZINC000444690010 533945038 /nfs/dbraw/zinc/94/50/38/533945038.db2.gz QOFLAMOWWPDLKZ-JTQLQIEISA-N 1 1 312.329 3.028 20 5 DGBDMO Cc1cc[nH+]c(N[C@@H]2CCCC[C@@H]2n2ccc([N+](=O)[O-])n2)c1 ZINC000331891222 534405949 /nfs/dbraw/zinc/40/59/49/534405949.db2.gz KAYQTQVGLVXNCV-OLZOCXBDSA-N 1 1 301.350 3.091 20 5 DGBDMO CC(C)c1ccc(C[N@H+]2CCC[C@H]2C(C)(C)O)cc1[N+](=O)[O-] ZINC000154414669 519835975 /nfs/dbraw/zinc/83/59/75/519835975.db2.gz PDCSEWZKXMMYDR-INIZCTEOSA-N 1 1 306.406 3.454 20 5 DGBDMO CC1(C)C[C@H](O)CC[N@@H+](Cc2ccc([N+](=O)[O-])cc2Cl)C1 ZINC000294697245 527752094 /nfs/dbraw/zinc/75/20/94/527752094.db2.gz AOEUGQMXCCBYEB-CYBMUJFWSA-N 1 1 312.797 3.231 20 5 DGBDMO CC(C)OC(=O)CC[N@@H+](Cc1ccc([N+](=O)[O-])cc1)C(C)C ZINC000173564975 527779574 /nfs/dbraw/zinc/77/95/74/527779574.db2.gz KZANWKKKXBEEMW-UHFFFAOYSA-N 1 1 308.378 3.147 20 5 DGBDMO CC[N@@H+](C)C[C@@H]1CCN(c2c(C)cc([N+](=O)[O-])cc2Cl)C1 ZINC000302622188 527821366 /nfs/dbraw/zinc/82/13/66/527821366.db2.gz ACJROPLWHZPKTD-LBPRGKRZSA-N 1 1 311.813 3.335 20 5 DGBDMO CCC[C@@]1(C(=O)OCC)CCC[N@@H+]1Cc1ccc([N+](=O)[O-])cc1 ZINC000444779475 527917282 /nfs/dbraw/zinc/91/72/82/527917282.db2.gz YPWRZMIXDXCYSM-KRWDZBQOSA-N 1 1 320.389 3.293 20 5 DGBDMO CCC[C@@]1(C(=O)OCC)CCC[N@H+]1Cc1ccc([N+](=O)[O-])cc1 ZINC000444779475 527917284 /nfs/dbraw/zinc/91/72/84/527917284.db2.gz YPWRZMIXDXCYSM-KRWDZBQOSA-N 1 1 320.389 3.293 20 5 DGBDMO CC(C)c1ccc(C[NH2+][C@H](CN)C2CCCC2)cc1[N+](=O)[O-] ZINC000415064476 528102705 /nfs/dbraw/zinc/10/27/05/528102705.db2.gz KTAFHBJXPSPQIK-MRXNPFEDSA-N 1 1 305.422 3.325 20 5 DGBDMO CCC[N@H+]1CC[C@H](CNc2nccc3ccc([N+](=O)[O-])cc32)C1 ZINC000413077043 528261433 /nfs/dbraw/zinc/26/14/33/528261433.db2.gz URWAROJCZIHRQR-CYBMUJFWSA-N 1 1 314.389 3.287 20 5 DGBDMO CC(C)[C@@H](c1ccc(F)cc1)[N@@H+](C)CCn1cc([N+](=O)[O-])cn1 ZINC000434618839 528642032 /nfs/dbraw/zinc/64/20/32/528642032.db2.gz ZZHVVUULDADRCV-INIZCTEOSA-N 1 1 320.368 3.260 20 5 DGBDMO CC1(C)CCCC[N@@H+](Cc2nc3cc([N+](=O)[O-])ccc3[nH]2)C1 ZINC000444672475 528914017 /nfs/dbraw/zinc/91/40/17/528914017.db2.gz JZBQJNFKTYNRCK-UHFFFAOYSA-N 1 1 302.378 3.483 20 5 DGBDMO CC1(C)CCC[N@@H+](CCNc2ncc(Cl)cc2[N+](=O)[O-])C1 ZINC000443945397 528938251 /nfs/dbraw/zinc/93/82/51/528938251.db2.gz JRTCRHAGYQVKMU-UHFFFAOYSA-N 1 1 312.801 3.177 20 5 DGBDMO CC1(C)C[C@@H](NCCC[NH+]2CCCC2)c2cc([N+](=O)[O-])ccc21 ZINC000433158853 529139217 /nfs/dbraw/zinc/13/92/17/529139217.db2.gz CBQNWJQIXBKXTR-QGZVFWFLSA-N 1 1 317.433 3.393 20 5 DGBDMO CC[C@@H]1CC[N@H+]1CCc1ncc(-c2cccc([N+](=O)[O-])c2)o1 ZINC000292566286 529333094 /nfs/dbraw/zinc/33/30/94/529333094.db2.gz ZQNCDJAESREEOK-CYBMUJFWSA-N 1 1 301.346 3.277 20 5 DGBDMO CCC[N@@H+]1CC[C@H](CNC/C(C)=C\c2cccc([N+](=O)[O-])c2)C1 ZINC000468627737 534955090 /nfs/dbraw/zinc/95/50/90/534955090.db2.gz ODYUWUDGEZMBSS-XBNGYDHASA-N 1 1 317.433 3.320 20 5 DGBDMO CCC[N@H+]1CC[C@H](CNC/C(C)=C\c2cccc([N+](=O)[O-])c2)C1 ZINC000468627737 534955094 /nfs/dbraw/zinc/95/50/94/534955094.db2.gz ODYUWUDGEZMBSS-XBNGYDHASA-N 1 1 317.433 3.320 20 5 DGBDMO O=[N+]([O-])c1ccc2nc(N[C@H]3CC[N@H+]4CCCC[C@@H]34)sc2c1 ZINC000731206707 574545348 /nfs/dbraw/zinc/54/53/48/574545348.db2.gz POMVKBXTSJJCRY-AAEUAGOBSA-N 1 1 318.402 3.243 20 5 DGBDMO C[C@H]1Cc2ccccc2C[N@@H+]1Cn1ncc2cc([N+](=O)[O-])ccc21 ZINC000742159339 574983542 /nfs/dbraw/zinc/98/35/42/574983542.db2.gz NYMNULAPUNCZNP-ZDUSSCGKSA-N 1 1 322.368 3.349 20 5 DGBDMO C[C@H]1Cc2ccccc2C[N@H+]1Cn1ncc2cc([N+](=O)[O-])ccc21 ZINC000742159339 574983544 /nfs/dbraw/zinc/98/35/44/574983544.db2.gz NYMNULAPUNCZNP-ZDUSSCGKSA-N 1 1 322.368 3.349 20 5 DGBDMO CC(C)C[C@@H]1CC[N@@H+](Cn2ncc3ccc([N+](=O)[O-])cc32)C1 ZINC000744436933 575342319 /nfs/dbraw/zinc/34/23/19/575342319.db2.gz BXUPEBZPHOJHBS-ZDUSSCGKSA-N 1 1 302.378 3.270 20 5 DGBDMO C[C@H](C(=O)OCc1ccc([N+](=O)[O-])cc1F)[N@@H+]1[C@H](C)CC[C@@H]1C ZINC000746985947 575488406 /nfs/dbraw/zinc/48/84/06/575488406.db2.gz TZXOQAVMAIJJRM-GRYCIOLGSA-N 1 1 324.352 3.038 20 5 DGBDMO CC[C@H](C)C[N@@H+](CC)Cn1cnc(-c2cccc([N+](=O)[O-])c2)n1 ZINC000748261646 575576307 /nfs/dbraw/zinc/57/63/07/575576307.db2.gz IFMQYBXCXGUXJD-ZDUSSCGKSA-N 1 1 317.393 3.179 20 5 DGBDMO O=[N+]([O-])c1ccc(Cl)cc1C[N@H+]1CC[C@@H]([C@@H]2CCOC2)C1 ZINC000750252420 575714596 /nfs/dbraw/zinc/71/45/96/575714596.db2.gz KGRJHUDSAZXKKK-VXGBXAGGSA-N 1 1 310.781 3.107 20 5 DGBDMO C[C@]1(CCc2ccccc2)CC[N@H+](Cn2nccc2[N+](=O)[O-])C1 ZINC000751605202 575793225 /nfs/dbraw/zinc/79/32/25/575793225.db2.gz RHAAGTWENLGBBU-KRWDZBQOSA-N 1 1 314.389 3.094 20 5 DGBDMO C[C@]1(CCc2ccccc2)CC[N@@H+](Cn2nccc2[N+](=O)[O-])C1 ZINC000751605202 575793227 /nfs/dbraw/zinc/79/32/27/575793227.db2.gz RHAAGTWENLGBBU-KRWDZBQOSA-N 1 1 314.389 3.094 20 5 DGBDMO Cc1nn(C[N@H+]2CC[C@H](c3ccccc3C)C2)c(C)c1[N+](=O)[O-] ZINC000725777816 575911658 /nfs/dbraw/zinc/91/16/58/575911658.db2.gz HCQXMMMPYBBSQD-HNNXBMFYSA-N 1 1 314.389 3.164 20 5 DGBDMO C[N@H+](CCOc1ccc(F)cc1)Cc1cc(F)ccc1[N+](=O)[O-] ZINC000916970286 620650967 /nfs/dbraw/zinc/65/09/67/620650967.db2.gz NYUCDKKSCVTNIT-UHFFFAOYSA-N 1 1 322.311 3.384 20 5 DGBDMO C[N@@H+](CCOc1ccc(F)cc1)Cc1cc(F)ccc1[N+](=O)[O-] ZINC000916970286 620650969 /nfs/dbraw/zinc/65/09/69/620650969.db2.gz NYUCDKKSCVTNIT-UHFFFAOYSA-N 1 1 322.311 3.384 20 5 DGBDMO CCS[C@@H]1CC[C@H]([N@@H+](C)C[C@H](O)c2cccc([N+](=O)[O-])c2)C1 ZINC000154383392 620666841 /nfs/dbraw/zinc/66/68/41/620666841.db2.gz SOIMZBJMLPFLBQ-IMJJTQAJSA-N 1 1 324.446 3.234 20 5 DGBDMO Cc1[nH+]cn(Cc2cc([N+](=O)[O-])ccc2Br)c1C ZINC000917347280 620665589 /nfs/dbraw/zinc/66/55/89/620665589.db2.gz QLQAYNJVVZKLHS-UHFFFAOYSA-N 1 1 310.151 3.219 20 5 DGBDMO C[C@@H]1CCCCC[N@H+]1Cn1cc([N+](=O)[O-])c(-c2ccccn2)n1 ZINC000853499760 620702465 /nfs/dbraw/zinc/70/24/65/620702465.db2.gz UGAKBWONWLSXNL-CYBMUJFWSA-N 1 1 315.377 3.075 20 5 DGBDMO O=[N+]([O-])c1ccc2oc(=S)n(C[N@@H+]3CC[C@H]4C[C@H]4C3)c2c1 ZINC000853575989 620711323 /nfs/dbraw/zinc/71/13/23/620711323.db2.gz BRDIXNOSZHEZOM-UWVGGRQHSA-N 1 1 305.359 3.171 20 5 DGBDMO O=[N+]([O-])c1ccc2oc(=S)n(C[N@H+]3CC[C@H]4C[C@H]4C3)c2c1 ZINC000853575989 620711325 /nfs/dbraw/zinc/71/13/25/620711325.db2.gz BRDIXNOSZHEZOM-UWVGGRQHSA-N 1 1 305.359 3.171 20 5 DGBDMO CC(C)[N@H+]1CCCC[C@@H]1COc1ccc([N+](=O)[O-])cc1C=O ZINC000853643630 620719152 /nfs/dbraw/zinc/71/91/52/620719152.db2.gz KXALPLDBCHXEIO-OAHLLOKOSA-N 1 1 306.362 3.049 20 5 DGBDMO CC(C)(C)[N@H+]1CC[C@H](Nc2nc3ccc([N+](=O)[O-])cc3s2)C1 ZINC000853764316 620735591 /nfs/dbraw/zinc/73/55/91/620735591.db2.gz SWGXKKHYJCAPKN-JTQLQIEISA-N 1 1 320.418 3.489 20 5 DGBDMO C[N@@H+](Cc1ccccc1)C1CN(c2ccc([N+](=O)[O-])cc2F)C1 ZINC000804813103 617674953 /nfs/dbraw/zinc/67/49/53/617674953.db2.gz WQQPFXRWVFAFQC-UHFFFAOYSA-N 1 1 315.348 3.055 20 5 DGBDMO C[N@@H+](Cc1ccccc1[N+](=O)[O-])C[C@@H]1C[C@]1(C)Br ZINC000891620468 617854004 /nfs/dbraw/zinc/85/40/04/617854004.db2.gz APJHENUBDJAWLQ-AAEUAGOBSA-N 1 1 313.195 3.200 20 5 DGBDMO C[N@H+](Cc1ccccc1[N+](=O)[O-])C[C@@H]1C[C@]1(C)Br ZINC000891620468 617854005 /nfs/dbraw/zinc/85/40/05/617854005.db2.gz APJHENUBDJAWLQ-AAEUAGOBSA-N 1 1 313.195 3.200 20 5 DGBDMO CCn1cc(C[N@H+](Cc2ccc([N+](=O)[O-])cc2)C2CC2)c(C)n1 ZINC000891623450 617855224 /nfs/dbraw/zinc/85/52/24/617855224.db2.gz NUBAIEALHVGSBX-UHFFFAOYSA-N 1 1 314.389 3.284 20 5 DGBDMO CCn1cc(C[N@@H+](Cc2ccc([N+](=O)[O-])cc2)C2CC2)c(C)n1 ZINC000891623450 617855228 /nfs/dbraw/zinc/85/52/28/617855228.db2.gz NUBAIEALHVGSBX-UHFFFAOYSA-N 1 1 314.389 3.284 20 5 DGBDMO COc1c(O)ccc(C[N@@H+]([C@H](C)C2CC2)C2CC2)c1[N+](=O)[O-] ZINC000891669170 617863547 /nfs/dbraw/zinc/86/35/47/617863547.db2.gz WISJKAUQVJEGMY-SNVBAGLBSA-N 1 1 306.362 3.072 20 5 DGBDMO Cc1ncoc1C[N@H+]1CCC[C@H](c2ccc([N+](=O)[O-])cc2)C1 ZINC000894906224 618496806 /nfs/dbraw/zinc/49/68/06/618496806.db2.gz ZZQMZWHPORMFRS-AWEZNQCLSA-N 1 1 301.346 3.271 20 5 DGBDMO C/C(=C/c1cccc([N+](=O)[O-])c1)C[N@H+]1CC[C@H]([C@@H]2CCCO2)C1 ZINC000895843287 618837768 /nfs/dbraw/zinc/83/77/68/618837768.db2.gz ATIXFEQVTUIWQK-FHYOKYKPSA-N 1 1 316.401 3.499 20 5 DGBDMO O=[N+]([O-])c1ccccc1/C=C\C[N@@H+]1CCn2nc(C3CC3)cc2C1 ZINC000896939682 618990463 /nfs/dbraw/zinc/99/04/63/618990463.db2.gz MQEBNUXKDCRBEO-HYXAFXHYSA-N 1 1 324.384 3.198 20 5 DGBDMO O=[N+]([O-])c1ccccc1/C=C\C[N@H+]1CCn2nc(C3CC3)cc2C1 ZINC000896939682 618990465 /nfs/dbraw/zinc/99/04/65/618990465.db2.gz MQEBNUXKDCRBEO-HYXAFXHYSA-N 1 1 324.384 3.198 20 5 DGBDMO O=[N+]([O-])c1ccc(C[NH+]2CCC(O)(C3CCC3)CC2)cc1Cl ZINC000897036806 619005071 /nfs/dbraw/zinc/00/50/71/619005071.db2.gz MMBYNORJTULBQJ-UHFFFAOYSA-N 1 1 324.808 3.375 20 5 DGBDMO Cc1ccc(-c2noc([C@H]3CCC[N@@H+]3C(C)C)n2)cc1[N+](=O)[O-] ZINC000923821701 619149562 /nfs/dbraw/zinc/14/95/62/619149562.db2.gz RBKAJYMIRIKNIX-CYBMUJFWSA-N 1 1 316.361 3.499 20 5 DGBDMO CC(C)[N@@H+]1CCC[C@@H]1C(=O)O[C@H](C)c1cccc([N+](=O)[O-])c1 ZINC000923891701 619259482 /nfs/dbraw/zinc/25/94/82/619259482.db2.gz AUUIERWOYXNHPW-IUODEOHRSA-N 1 1 306.362 3.072 20 5 DGBDMO CC(C)[N@H+]1CCC[C@@H]1C(=O)O[C@H](C)c1cccc([N+](=O)[O-])c1 ZINC000923891701 619259483 /nfs/dbraw/zinc/25/94/83/619259483.db2.gz AUUIERWOYXNHPW-IUODEOHRSA-N 1 1 306.362 3.072 20 5 DGBDMO C[C@@H](NC(=O)CC[C@@H]1CCCC[N@H+]1C)c1ccc([N+](=O)[O-])cc1 ZINC000900653754 619442813 /nfs/dbraw/zinc/44/28/13/619442813.db2.gz MFTYJKJJMSWSAC-HIFRSBDPSA-N 1 1 319.405 3.037 20 5 DGBDMO CC[C@H]([NH2+][C@H](c1nncn1C)C(C)C)c1cccc([N+](=O)[O-])c1 ZINC000903061593 619708352 /nfs/dbraw/zinc/70/83/52/619708352.db2.gz ORJRCLLZDAAZMW-GJZGRUSLSA-N 1 1 317.393 3.161 20 5 DGBDMO COc1cc([C@H](C)[NH2+]Cc2c(C)noc2C)cc([N+](=O)[O-])c1 ZINC000903080563 619712685 /nfs/dbraw/zinc/71/26/85/619712685.db2.gz PXMUTBQQPMVWFI-VIFPVBQESA-N 1 1 305.334 3.059 20 5 DGBDMO COc1cc([C@@H](C)[NH2+][C@@H](C)c2cncs2)cc([N+](=O)[O-])c1 ZINC000903305746 619756454 /nfs/dbraw/zinc/75/64/54/619756454.db2.gz OXLISYZQVQLJLZ-ZJUUUORDSA-N 1 1 307.375 3.472 20 5 DGBDMO COc1cc([N+](=O)[O-])ccc1[C@@H](C)[NH2+][C@H](C)c1cncs1 ZINC000903312131 619758043 /nfs/dbraw/zinc/75/80/43/619758043.db2.gz SOFMMOGVWNNMRH-NXEZZACHSA-N 1 1 307.375 3.472 20 5 DGBDMO C[C@H]1Cc2cc(C[NH2+]Cc3ccc([N+](=O)[O-])cc3F)ccc2O1 ZINC000922701091 621085348 /nfs/dbraw/zinc/08/53/48/621085348.db2.gz BCSQJKFUBBWPOA-NSHDSACASA-N 1 1 316.332 3.347 20 5 DGBDMO O=[N+]([O-])c1cccc(C[N@H+](Cc2ccnc(F)c2)C2CC2)c1 ZINC000859166563 621256515 /nfs/dbraw/zinc/25/65/15/621256515.db2.gz FAQMUZBKRVHYDO-UHFFFAOYSA-N 1 1 301.321 3.294 20 5 DGBDMO O=[N+]([O-])c1cccc(C[N@@H+](Cc2ccnc(F)c2)C2CC2)c1 ZINC000859166563 621256519 /nfs/dbraw/zinc/25/65/19/621256519.db2.gz FAQMUZBKRVHYDO-UHFFFAOYSA-N 1 1 301.321 3.294 20 5 DGBDMO C/C=C\C[C@@H]1CCC[N@@H+](C[C@H](O)c2ccc([N+](=O)[O-])cc2)C1 ZINC000860183109 621378596 /nfs/dbraw/zinc/37/85/96/621378596.db2.gz GHIRGEAQJGUFEA-MKXCZPOJSA-N 1 1 304.390 3.306 20 5 DGBDMO C[C@H]1C[C@@H](Nc2nc3ccc([N+](=O)[O-])cc3s2)C[N@H+]1C1CC1 ZINC000754024414 621480409 /nfs/dbraw/zinc/48/04/09/621480409.db2.gz KPAARNOSZPUOPY-VHSXEESVSA-N 1 1 318.402 3.242 20 5 DGBDMO Cc1nn(C[N@H+]2CCS[C@H](C)CC2)c2ccc([N+](=O)[O-])cc12 ZINC000754872592 621538602 /nfs/dbraw/zinc/53/86/02/621538602.db2.gz NHEBABVELWYCAG-LLVKDONJSA-N 1 1 320.418 3.038 20 5 DGBDMO CC(C)CC[C@H]([NH3+])c1nc(Cc2ccccc2[N+](=O)[O-])no1 ZINC000863657265 621695209 /nfs/dbraw/zinc/69/52/09/621695209.db2.gz BLKCTQYOHZIJRG-LBPRGKRZSA-N 1 1 304.350 3.005 20 5 DGBDMO O=[N+]([O-])c1cccc([C@H](O)C[N@H+]2CCCC23CCCCC3)c1 ZINC000759394226 621852926 /nfs/dbraw/zinc/85/29/26/621852926.db2.gz BBRYGMQXDQXGQO-MRXNPFEDSA-N 1 1 304.390 3.427 20 5 DGBDMO Cc1ccc(C(C)(C)[NH2+]Cc2cc(F)ccc2[N+](=O)[O-])cn1 ZINC000759909726 621901271 /nfs/dbraw/zinc/90/12/71/621901271.db2.gz DKKOSNAHNACORU-UHFFFAOYSA-N 1 1 303.337 3.462 20 5 DGBDMO CC(C)[C@@H]1C[N@@H+](C)CCN1Cc1cc([N+](=O)[O-])ccc1Cl ZINC000761217566 621995133 /nfs/dbraw/zinc/99/51/33/621995133.db2.gz WGBHVPHXCIWQST-HNNXBMFYSA-N 1 1 311.813 3.020 20 5 DGBDMO Cc1nn(C[N@H+]2CCC3(CCCC3)C2)c2cc([N+](=O)[O-])ccc12 ZINC000761294003 621999457 /nfs/dbraw/zinc/99/94/57/621999457.db2.gz XIGHZSDZIVTINT-UHFFFAOYSA-N 1 1 314.389 3.477 20 5 DGBDMO CC[C@H]1C[N@@H+](C)CCCN1c1nc2ccc([N+](=O)[O-])cc2s1 ZINC000865925634 622021437 /nfs/dbraw/zinc/02/14/37/622021437.db2.gz KKVKBZDIODOEPO-NSHDSACASA-N 1 1 320.418 3.125 20 5 DGBDMO Cc1nn(C[N@H+](C)C(C2CC2)C2CC2)c2ccc([N+](=O)[O-])cc12 ZINC000764952830 622235652 /nfs/dbraw/zinc/23/56/52/622235652.db2.gz AVFSNIYKGYQOMY-UHFFFAOYSA-N 1 1 314.389 3.331 20 5 DGBDMO CC[N@H+]1C[C@@H](C)N(Cc2cc(Cl)ccc2[N+](=O)[O-])C[C@@H]1C ZINC000766248911 622314872 /nfs/dbraw/zinc/31/48/72/622314872.db2.gz JGTHFGNDGBEZHM-NWDGAFQWSA-N 1 1 311.813 3.163 20 5 DGBDMO CC[N@H+]1C[C@@H](C)N(Cc2ccc(Cl)c([N+](=O)[O-])c2)C[C@@H]1C ZINC000766253196 622315239 /nfs/dbraw/zinc/31/52/39/622315239.db2.gz JRWHNLRSKJTUES-NWDGAFQWSA-N 1 1 311.813 3.163 20 5 DGBDMO CC[N@H+]1C[C@H](C)N(Cc2cc([N+](=O)[O-])ccc2Cl)C[C@H]1C ZINC000766255808 622315688 /nfs/dbraw/zinc/31/56/88/622315688.db2.gz XSVMRWSGZGPXAH-NEPJUHHUSA-N 1 1 311.813 3.163 20 5 DGBDMO Cc1nn(C[N@@H+]2CC[C@@H](C)[C@@H](C)C2)c2cc([N+](=O)[O-])ccc12 ZINC000766376338 622325219 /nfs/dbraw/zinc/32/52/19/622325219.db2.gz ZMOAVYCHUGYWKX-NEPJUHHUSA-N 1 1 302.378 3.188 20 5 DGBDMO Cc1[nH+]ccn1CCCOC(=O)c1c(Cl)cccc1[N+](=O)[O-] ZINC000767627483 622409067 /nfs/dbraw/zinc/40/90/67/622409067.db2.gz HDSZPNPPGSAMKK-UHFFFAOYSA-N 1 1 323.736 3.000 20 5 DGBDMO C[C@H]1CCC[N@H+]1CCNc1ccc([N+](=O)[O-])c2cccnc12 ZINC000771229137 622729687 /nfs/dbraw/zinc/72/96/87/622729687.db2.gz HILQKVLCRJVXAE-LBPRGKRZSA-N 1 1 300.362 3.039 20 5 DGBDMO CCN1CCC([NH2+][C@H](C)c2cc([N+](=O)[O-])ccc2SC)CC1 ZINC000872017635 622753778 /nfs/dbraw/zinc/75/37/78/622753778.db2.gz DEJGVOZJWSWVSW-GFCCVEGCSA-N 1 1 323.462 3.452 20 5 DGBDMO CCN1CCC([NH2+][C@@H](C)c2cc([N+](=O)[O-])ccc2SC)CC1 ZINC000872017636 622753803 /nfs/dbraw/zinc/75/38/03/622753803.db2.gz DEJGVOZJWSWVSW-LBPRGKRZSA-N 1 1 323.462 3.452 20 5 DGBDMO C[C@H](NCC[N@@H+](C)C1CCCC1)c1c(F)cccc1[N+](=O)[O-] ZINC000872034983 622765771 /nfs/dbraw/zinc/76/57/71/622765771.db2.gz SYLDOVGNGXPSJM-LBPRGKRZSA-N 1 1 309.385 3.259 20 5 DGBDMO C[C@H]([NH2+]C[C@H](O)c1ccsc1)c1c(F)cccc1[N+](=O)[O-] ZINC000872038012 622767883 /nfs/dbraw/zinc/76/78/83/622767883.db2.gz JSESKZIUGOTGGX-ZANVPECISA-N 1 1 310.350 3.180 20 5 DGBDMO COCCc1cc[nH+]c(N[C@@H](C)c2c(F)cccc2[N+](=O)[O-])c1 ZINC000872069940 622788253 /nfs/dbraw/zinc/78/82/53/622788253.db2.gz AGPJCEGRXFZPMM-NSHDSACASA-N 1 1 319.336 3.491 20 5 DGBDMO C[C@H]([NH2+]Cc1nc2c(s1)CCC2)c1cccc([N+](=O)[O-])c1 ZINC000771818324 622799815 /nfs/dbraw/zinc/79/98/15/622799815.db2.gz JVCJXFHDYZTPRU-JTQLQIEISA-N 1 1 303.387 3.391 20 5 DGBDMO Cc1ccc([N+](=O)[O-])cc1[C@@H](C)[NH2+][C@H](C)c1nccnc1C ZINC000872135871 622827243 /nfs/dbraw/zinc/82/72/43/622827243.db2.gz YLWZLHZTALBQGA-DGCLKSJQSA-N 1 1 300.362 3.413 20 5 DGBDMO C[C@H](c1cccc([N+](=O)[O-])c1)[N@@H+]1CCN(C)c2ncccc2C1 ZINC000872317503 622889228 /nfs/dbraw/zinc/88/92/28/622889228.db2.gz UPZQTNCDANOBSB-CYBMUJFWSA-N 1 1 312.373 3.003 20 5 DGBDMO C[C@H](c1cccc([N+](=O)[O-])c1)[N@H+]1CCN(C)c2ncccc2C1 ZINC000872317503 622889235 /nfs/dbraw/zinc/88/92/35/622889235.db2.gz UPZQTNCDANOBSB-CYBMUJFWSA-N 1 1 312.373 3.003 20 5 DGBDMO Cc1ccc([N+](=O)[O-])c(C)c1CNC[C@H]1CC[N@H+](C(C)C)C1 ZINC000873029750 623020969 /nfs/dbraw/zinc/02/09/69/623020969.db2.gz PUYDYAJAVVGCNG-OAHLLOKOSA-N 1 1 305.422 3.032 20 5 DGBDMO C[C@H]1C[N@@H+](Cc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])CC(C)(C)C1 ZINC000775060054 623223882 /nfs/dbraw/zinc/22/38/82/623223882.db2.gz GDFZRCXJRALKQD-LLVKDONJSA-N 1 1 307.350 3.371 20 5 DGBDMO O=[N+]([O-])c1ccc(CNC[C@@H]2CCCC[N@@H+]2C2CC2)cc1Cl ZINC000775157902 623237096 /nfs/dbraw/zinc/23/70/96/623237096.db2.gz LRUQIEYVOYYPRA-AWEZNQCLSA-N 1 1 323.824 3.355 20 5 DGBDMO O=[N+]([O-])c1ccc(CNC[C@@H]2CCCC[N@H+]2C2CC2)cc1Cl ZINC000775157902 623237100 /nfs/dbraw/zinc/23/71/00/623237100.db2.gz LRUQIEYVOYYPRA-AWEZNQCLSA-N 1 1 323.824 3.355 20 5 DGBDMO CCS[C@@H]1CC[C@@H]([N@@H+](C)C[C@H](O)c2ccc([N+](=O)[O-])cc2)C1 ZINC000776588098 623444090 /nfs/dbraw/zinc/44/40/90/623444090.db2.gz KQMDSLLSTAVINM-OAGGEKHMSA-N 1 1 324.446 3.234 20 5 DGBDMO CC[C@@H](c1ccncc1)[N@@H+](C)C[C@@H](O)c1ccc([N+](=O)[O-])cc1 ZINC000776602125 623445663 /nfs/dbraw/zinc/44/56/63/623445663.db2.gz SLIUXZWGYMLVDN-DLBZAZTESA-N 1 1 315.373 3.106 20 5 DGBDMO CC1(C)CC[N@@H+](Cn2cc(-c3cccc([N+](=O)[O-])c3)cn2)C1 ZINC000777956113 623589805 /nfs/dbraw/zinc/58/98/05/623589805.db2.gz BMBGTIDNWWZKPX-UHFFFAOYSA-N 1 1 300.362 3.148 20 5 DGBDMO C[C@@H]1CC[N@@H+](Cn2cc(-c3cccc([N+](=O)[O-])c3)cn2)C[C@H]1C ZINC000777958568 623590940 /nfs/dbraw/zinc/59/09/40/623590940.db2.gz RHWWVMHJMDIKPN-ZIAGYGMSSA-N 1 1 314.389 3.394 20 5 DGBDMO C[C@H]1CC[N@@H+](Cn2cc(-c3cccc([N+](=O)[O-])c3)cn2)[C@H]1C ZINC000777963392 623591659 /nfs/dbraw/zinc/59/16/59/623591659.db2.gz KSPLVZXZYBQQEW-STQMWFEESA-N 1 1 300.362 3.146 20 5 DGBDMO Cc1ccc([N+](=O)[O-])cc1[C@H](C)OC(=O)C(C)(C)[NH+]1CCCC1 ZINC000805613709 623692887 /nfs/dbraw/zinc/69/28/87/623692887.db2.gz UOVRUKOUBHOZLW-ZDUSSCGKSA-N 1 1 320.389 3.382 20 5 DGBDMO CSC(C)(C)CC[N@H+]1CC[C@H](Nc2ccc([N+](=O)[O-])cn2)C1 ZINC000876753746 623698077 /nfs/dbraw/zinc/69/80/77/623698077.db2.gz NSVPKHDOCPCRFF-LBPRGKRZSA-N 1 1 324.450 3.008 20 5 DGBDMO Cc1ccc([N+](=O)[O-])c(C)c1CN(C)[C@@H]1CC[N@@H+](C)[C@@H](C)C1 ZINC000876765946 623701150 /nfs/dbraw/zinc/70/11/50/623701150.db2.gz XMRDOEWFIAXMQF-DZGCQCFKSA-N 1 1 305.422 3.126 20 5 DGBDMO Cc1ccc([N+](=O)[O-])c(C)c1C[N@@H+](C)[C@@H]1CCN(C)[C@@H](C)C1 ZINC000876765946 623701152 /nfs/dbraw/zinc/70/11/52/623701152.db2.gz XMRDOEWFIAXMQF-DZGCQCFKSA-N 1 1 305.422 3.126 20 5 DGBDMO Cc1ccc([N+](=O)[O-])c(C)c1C[N@H+](C)[C@@H]1CCN(C)[C@@H](C)C1 ZINC000876765946 623701157 /nfs/dbraw/zinc/70/11/57/623701157.db2.gz XMRDOEWFIAXMQF-DZGCQCFKSA-N 1 1 305.422 3.126 20 5 DGBDMO Cc1ccc([N+](=O)[O-])c(C)c1CN(C)[C@@H]1CC[N@@H+](C)[C@H](C)C1 ZINC000876765948 623701493 /nfs/dbraw/zinc/70/14/93/623701493.db2.gz XMRDOEWFIAXMQF-UKRRQHHQSA-N 1 1 305.422 3.126 20 5 DGBDMO Cc1ccc([N+](=O)[O-])c(C)c1C[N@@H+](C)[C@@H]1CCN(C)[C@H](C)C1 ZINC000876765948 623701495 /nfs/dbraw/zinc/70/14/95/623701495.db2.gz XMRDOEWFIAXMQF-UKRRQHHQSA-N 1 1 305.422 3.126 20 5 DGBDMO Cc1ccc([N+](=O)[O-])c(C)c1C[N@H+](C)[C@@H]1CCN(C)[C@H](C)C1 ZINC000876765948 623701501 /nfs/dbraw/zinc/70/15/01/623701501.db2.gz XMRDOEWFIAXMQF-UKRRQHHQSA-N 1 1 305.422 3.126 20 5 DGBDMO Cc1ccc([N+](=O)[O-])c(C)c1C[N@H+]1CC[C@@]2(C1)CCCOC2 ZINC000877508233 623917214 /nfs/dbraw/zinc/91/72/14/623917214.db2.gz UEUWLLLYIJBYKH-QGZVFWFLSA-N 1 1 304.390 3.214 20 5 DGBDMO Cc1c(C[N@H+]2CC3(CCOCC3)[C@@H]2C2CC2)cccc1[N+](=O)[O-] ZINC000877553488 623939287 /nfs/dbraw/zinc/93/92/87/623939287.db2.gz TZCPHJIHBISIIV-KRWDZBQOSA-N 1 1 316.401 3.294 20 5 DGBDMO C[N@@H+](Cc1nnc(-c2ccccc2[N+](=O)[O-])o1)C1CCCC1 ZINC000877925093 624095840 /nfs/dbraw/zinc/09/58/40/624095840.db2.gz QAUHJIJDABVSGZ-UHFFFAOYSA-N 1 1 302.334 3.019 20 5 DGBDMO C[C@H]1CCCC[N@H+]1Cc1nnc(-c2ccccc2[N+](=O)[O-])o1 ZINC000877935031 624100616 /nfs/dbraw/zinc/10/06/16/624100616.db2.gz GMVAZROWUXNHSF-NSHDSACASA-N 1 1 302.334 3.019 20 5 DGBDMO C[C@@H]1CCC[N@@H+](Cc2nnc(-c3ccccc3[N+](=O)[O-])o2)[C@@H]1C ZINC000878128585 624181158 /nfs/dbraw/zinc/18/11/58/624181158.db2.gz ANNXMTAESKLHBL-VXGBXAGGSA-N 1 1 316.361 3.265 20 5 DGBDMO C[C@H]1CCC[N@H+]1Cc1nnc(-c2ccc(Cl)cc2[N+](=O)[O-])o1 ZINC000878150728 624190431 /nfs/dbraw/zinc/19/04/31/624190431.db2.gz NOBXCRWLMDDJOJ-VIFPVBQESA-N 1 1 322.752 3.283 20 5 DGBDMO C[C@@H]1CCC[N@H+]1Cc1nnc(-c2ccc(Cl)cc2[N+](=O)[O-])o1 ZINC000878150727 624190623 /nfs/dbraw/zinc/19/06/23/624190623.db2.gz NOBXCRWLMDDJOJ-SECBINFHSA-N 1 1 322.752 3.283 20 5 DGBDMO CC[C@@H]1CC[C@@H](C)[N@H+]1Cc1nnc(-c2ccccc2[N+](=O)[O-])o1 ZINC000878341029 624249911 /nfs/dbraw/zinc/24/99/11/624249911.db2.gz RGUSUMGFFTXKHZ-VXGBXAGGSA-N 1 1 316.361 3.408 20 5 DGBDMO C[C@@H]1C[N@@H+](C[C@H](O)c2ccc([N+](=O)[O-])cc2)[C@@H]2CCCC[C@@H]21 ZINC000782502859 624257278 /nfs/dbraw/zinc/25/72/78/624257278.db2.gz HVIGJJOYUIZSAZ-YYQUZTFQSA-N 1 1 304.390 3.139 20 5 DGBDMO C[C@@H]1C[N@@H+](C[C@H](O)c2ccc([N+](=O)[O-])cc2)[C@H]2CCCC[C@@H]12 ZINC000782502860 624257333 /nfs/dbraw/zinc/25/73/33/624257333.db2.gz HVIGJJOYUIZSAZ-ZCPGHIKRSA-N 1 1 304.390 3.139 20 5 DGBDMO C[C@@H]1CC(C)(C)C[N@H+]1Cc1nnc(-c2ccccc2[N+](=O)[O-])o1 ZINC000878710157 624345575 /nfs/dbraw/zinc/34/55/75/624345575.db2.gz AEWOLGHUHTXZDB-LLVKDONJSA-N 1 1 316.361 3.265 20 5 DGBDMO C[C@@H]1CC[N@@H+](Cc2nnc(-c3ccccc3[N+](=O)[O-])o2)[C@H](C)C1 ZINC000878728014 624349690 /nfs/dbraw/zinc/34/96/90/624349690.db2.gz ICJMLDYCVCMIJA-VXGBXAGGSA-N 1 1 316.361 3.265 20 5 DGBDMO O=[N+]([O-])c1ccc(C[NH+]2CCC(c3cn[nH]c3)CC2)cc1Cl ZINC000783543424 624364048 /nfs/dbraw/zinc/36/40/48/624364048.db2.gz PEZNUHPFPSDDMT-UHFFFAOYSA-N 1 1 320.780 3.351 20 5 DGBDMO C[N@@H+](CCOC(C)(C)C)Cc1ccc([N+](=O)[O-])c(Cl)c1 ZINC000783573380 624368456 /nfs/dbraw/zinc/36/84/56/624368456.db2.gz WFUXIOVXJVKGJU-UHFFFAOYSA-N 1 1 300.786 3.495 20 5 DGBDMO C[C@H](c1ccccc1[N+](=O)[O-])[N@H+]1CCC[C@H](C2(C)OCCO2)C1 ZINC000784579613 624551671 /nfs/dbraw/zinc/55/16/71/624551671.db2.gz WQWRLAARNBPYSL-KGLIPLIRSA-N 1 1 320.389 3.131 20 5 DGBDMO Cc1ccc([N+](=O)[O-])cc1[C@@H](C)OC(=O)C[N@H+]1[C@H](C)CC[C@@H]1C ZINC000785736907 624721853 /nfs/dbraw/zinc/72/18/53/624721853.db2.gz ZIBLELHCERUUHO-HZSPNIEDSA-N 1 1 320.389 3.380 20 5 DGBDMO Cc1ccc([N+](=O)[O-])cc1[C@@H](C)OC(=O)C[N@@H+]1[C@H](C)CC[C@@H]1C ZINC000785736907 624721882 /nfs/dbraw/zinc/72/18/82/624721882.db2.gz ZIBLELHCERUUHO-HZSPNIEDSA-N 1 1 320.389 3.380 20 5 DGBDMO Cc1ccc([N+](=O)[O-])cc1[C@@H](C)[N@H+]1CCC[C@@H](C(C)(C)O)C1 ZINC000879963479 624738318 /nfs/dbraw/zinc/73/83/18/624738318.db2.gz KGQDPCJMVQRXEC-ZIAGYGMSSA-N 1 1 306.406 3.447 20 5 DGBDMO C[C@H]1c2sccc2CC[N@@H+]1C[C@H](O)c1ccc([N+](=O)[O-])cc1 ZINC000880377073 624943580 /nfs/dbraw/zinc/94/35/80/624943580.db2.gz NCKOTICJXLEKTN-NHYWBVRUSA-N 1 1 318.398 3.309 20 5 DGBDMO O=C(OCc1ccccc1[N+](=O)[O-])[C@@H]1CCC[N@H+]1C1CCCC1 ZINC000786877312 624960887 /nfs/dbraw/zinc/96/08/87/624960887.db2.gz CWJYFKCXGOSZEO-INIZCTEOSA-N 1 1 318.373 3.045 20 5 DGBDMO C[C@H](NC[C@H](C)[N@@H+]1CCCC[C@@H]1C)c1ccc(N)c([N+](=O)[O-])c1 ZINC000788527741 625206836 /nfs/dbraw/zinc/20/68/36/625206836.db2.gz OZHUWYYUJBXQPR-IHRRRGAJSA-N 1 1 320.437 3.091 20 5 DGBDMO C[C@H](NC[C@H](C)[N@H+]1CCCC[C@@H]1C)c1ccc(N)c([N+](=O)[O-])c1 ZINC000788527741 625206844 /nfs/dbraw/zinc/20/68/44/625206844.db2.gz OZHUWYYUJBXQPR-IHRRRGAJSA-N 1 1 320.437 3.091 20 5 DGBDMO C[C@@H]1CCC[N@@H+]1CCN[C@H]1CC(C)(C)c2ccc([N+](=O)[O-])cc21 ZINC000788584244 625219706 /nfs/dbraw/zinc/21/97/06/625219706.db2.gz IGFKWCBHFVYCMG-DYVFJYSZSA-N 1 1 317.433 3.391 20 5 DGBDMO C[C@@H]1CCC[N@H+]1CCN[C@H]1CC(C)(C)c2ccc([N+](=O)[O-])cc21 ZINC000788584244 625219715 /nfs/dbraw/zinc/21/97/15/625219715.db2.gz IGFKWCBHFVYCMG-DYVFJYSZSA-N 1 1 317.433 3.391 20 5 DGBDMO Cc1ccccc1OCC[N@H+](C)CCc1ccccc1[N+](=O)[O-] ZINC000796111520 626022966 /nfs/dbraw/zinc/02/29/66/626022966.db2.gz GMDXWAHVOFZNFX-UHFFFAOYSA-N 1 1 314.385 3.457 20 5 DGBDMO O=[N+]([O-])c1cccc(F)c1C[N@H+]1CC[C@H](c2ccccn2)C1 ZINC000799190117 626279195 /nfs/dbraw/zinc/27/91/95/626279195.db2.gz KKGAJYVEUGYRBN-LBPRGKRZSA-N 1 1 301.321 3.118 20 5 DGBDMO Nc1ccc([N+](=O)[O-])c(NC[C@@H]2CCC[N@H+]2C2CCCCC2)c1 ZINC000800871421 626381090 /nfs/dbraw/zinc/38/10/90/626381090.db2.gz UYNMJZQAOCQJSU-HNNXBMFYSA-N 1 1 318.421 3.386 20 5 DGBDMO CCO[C@H]1C[C@@H]([N@@H+](C)Cc2ccc([N+](=O)[O-])c(F)c2)C1(C)C ZINC000801517176 626406896 /nfs/dbraw/zinc/40/68/96/626406896.db2.gz AMIUDCFUOILNHD-CABCVRRESA-N 1 1 310.369 3.369 20 5 DGBDMO O=[N+]([O-])c1ccc(C[N@@H+](CCO)CC2CCCCC2)cc1F ZINC000801544348 626408980 /nfs/dbraw/zinc/40/89/80/626408980.db2.gz HMRGDYFCNNBJLN-UHFFFAOYSA-N 1 1 310.369 3.109 20 5 DGBDMO O=[N+]([O-])c1ccc(C[N@H+]2CC[C@@H](c3ccccn3)C2)cc1F ZINC000801555317 626409565 /nfs/dbraw/zinc/40/95/65/626409565.db2.gz KJXDKECNUHVZMV-CYBMUJFWSA-N 1 1 301.321 3.118 20 5 DGBDMO C[N@H+]1CCCC[C@@H]1CCC(=O)OCc1c(F)cccc1[N+](=O)[O-] ZINC000803856198 626644453 /nfs/dbraw/zinc/64/44/53/626644453.db2.gz MPJDAVOGJFFTHE-GFCCVEGCSA-N 1 1 324.352 3.042 20 5 DGBDMO C[C@@H](OC(=O)CC[C@H]1CCCC[N@H+]1C)c1ccccc1[N+](=O)[O-] ZINC000803854849 626644533 /nfs/dbraw/zinc/64/45/33/626644533.db2.gz BITLOWCSQNNXIY-ZIAGYGMSSA-N 1 1 320.389 3.464 20 5 DGBDMO CC[C@@H]1CCCC[N@H+]1CCNc1c([N+](=O)[O-])cccc1[N+](=O)[O-] ZINC000804454931 626681715 /nfs/dbraw/zinc/68/17/15/626681715.db2.gz USXXZDUAYTZXKU-GFCCVEGCSA-N 1 1 322.365 3.179 20 5 DGBDMO CCCC[N@@H+](C)C[C@H](C)Nc1ccc([N+](=O)[O-])cc1C(C)=O ZINC000808176000 626802856 /nfs/dbraw/zinc/80/28/56/626802856.db2.gz APJJMEDDWKDJGP-LBPRGKRZSA-N 1 1 307.394 3.330 20 5 DGBDMO C[N@H+]1CCN(c2ncc([N+](=O)[O-])c3ccccc32)CCC1(C)C ZINC000884572591 626906892 /nfs/dbraw/zinc/90/68/92/626906892.db2.gz QYHHFUXWCURPCS-UHFFFAOYSA-N 1 1 314.389 3.064 20 5 DGBDMO C[N@H+]1CC[C@H]2[C@H](CCCN2Cc2cc([N+](=O)[O-])ccc2Cl)C1 ZINC000809767799 626949882 /nfs/dbraw/zinc/94/98/82/626949882.db2.gz UMRWEURBJLKJFY-WBMJQRKESA-N 1 1 323.824 3.164 20 5 DGBDMO O=[N+]([O-])c1ncccc1C[N@H+]1CC[C@@H](Cc2ccc(F)cc2)C1 ZINC000886014488 627083640 /nfs/dbraw/zinc/08/36/40/627083640.db2.gz IMKRQMUPKXZXSF-AWEZNQCLSA-N 1 1 315.348 3.194 20 5 DGBDMO C[N@H+](Cc1cc([N+](=O)[O-])ccc1Cl)C[C@H]1C[C@]12CCOC2 ZINC000886046856 627092886 /nfs/dbraw/zinc/09/28/86/627092886.db2.gz RAEBBOHEVJPEPE-DOMZBBRYSA-N 1 1 310.781 3.107 20 5 DGBDMO O=[N+]([O-])c1ccc([C@@H]2CCC[N@@H+](C[C@@H]3C[C@@]34CCOC4)C2)cc1 ZINC000886231993 627124858 /nfs/dbraw/zinc/12/48/58/627124858.db2.gz NZWZSWFYPIXVPJ-SOLBZPMBSA-N 1 1 316.401 3.201 20 5 DGBDMO O=[N+]([O-])c1ccc([C@@H]2CCC[N@@H+](C[C@H]3C[C@@]34CCOC4)C2)cc1 ZINC000886231990 627125052 /nfs/dbraw/zinc/12/50/52/627125052.db2.gz NZWZSWFYPIXVPJ-JFIYKMOQSA-N 1 1 316.401 3.201 20 5 DGBDMO COc1ccc(C(C)(C)[NH2+]Cc2cccnc2[N+](=O)[O-])cc1F ZINC000886298560 627133290 /nfs/dbraw/zinc/13/32/90/627133290.db2.gz CYPQCZLOYQIDSO-UHFFFAOYSA-N 1 1 319.336 3.162 20 5 DGBDMO O=[N+]([O-])c1ccc(Cl)cc1C[N@H+]1CC[C@@H]([C@H]2CCCO2)C1 ZINC000886830682 627209621 /nfs/dbraw/zinc/20/96/21/627209621.db2.gz WBSWWPXOEMLYPQ-IAQYHMDHSA-N 1 1 310.781 3.249 20 5 DGBDMO O=[N+]([O-])c1cc(F)c(Cl)cc1N[C@@H]1CC[N@H+]2CCC[C@H]2C1 ZINC000300531171 627273022 /nfs/dbraw/zinc/27/30/22/627273022.db2.gz VPOIVBCMPLRCGS-ZJUUUORDSA-N 1 1 313.760 3.426 20 5 DGBDMO Cc1nn(C[N@@H+]2CCC(F)(F)[C@H](C)C2)c2cc([N+](=O)[O-])ccc12 ZINC000811779079 627320814 /nfs/dbraw/zinc/32/08/14/627320814.db2.gz FJXOEEIZTKVFHL-SNVBAGLBSA-N 1 1 324.331 3.188 20 5 DGBDMO Cc1nn(C[N@H+]2CCC(F)(F)[C@H](C)C2)c2cc([N+](=O)[O-])ccc12 ZINC000811779079 627320816 /nfs/dbraw/zinc/32/08/16/627320816.db2.gz FJXOEEIZTKVFHL-SNVBAGLBSA-N 1 1 324.331 3.188 20 5 DGBDMO C/C=C(/CC)C(=O)O[C@H]1CC[N@H+](Cc2cccc([N+](=O)[O-])c2)C1 ZINC000813174588 627462330 /nfs/dbraw/zinc/46/23/30/627462330.db2.gz YWUAKOBJGZNPEU-FUYANPBUSA-N 1 1 318.373 3.069 20 5 DGBDMO C/C=C(/CC)C(=O)O[C@H]1CC[N@@H+](Cc2cccc([N+](=O)[O-])c2)C1 ZINC000813174588 627462331 /nfs/dbraw/zinc/46/23/31/627462331.db2.gz YWUAKOBJGZNPEU-FUYANPBUSA-N 1 1 318.373 3.069 20 5 DGBDMO COc1cc(F)c([N+](=O)[O-])c(NCCCC[N@@H+](C)C2CC2)c1 ZINC000840316379 627554821 /nfs/dbraw/zinc/55/48/21/627554821.db2.gz OGERBTYAYILXNE-UHFFFAOYSA-N 1 1 311.357 3.029 20 5 DGBDMO C[C@H]([NH2+]Cc1ccccc1[N+](=O)[O-])c1cnn(C2CCC2)c1 ZINC000925312138 627729217 /nfs/dbraw/zinc/72/92/17/627729217.db2.gz XGOUMNLSGPRVFZ-LBPRGKRZSA-N 1 1 300.362 3.367 20 5 DGBDMO CC(C)[C@@H]1C[N@H+](Cc2ccc([N+](=O)[O-])c(Cl)c2)CCCO1 ZINC000816676032 627823472 /nfs/dbraw/zinc/82/34/72/627823472.db2.gz QUEUNVAPTQUFHB-HNNXBMFYSA-N 1 1 312.797 3.495 20 5 DGBDMO CC(C)[C@@H]1C[N@@H+](Cc2ccc([N+](=O)[O-])c(Cl)c2)CCCO1 ZINC000816676032 627823477 /nfs/dbraw/zinc/82/34/77/627823477.db2.gz QUEUNVAPTQUFHB-HNNXBMFYSA-N 1 1 312.797 3.495 20 5 DGBDMO O=[N+]([O-])c1cccc([C@@H](O)C[N@H+]2CC[C@@H](C3CCCC3)C2)c1 ZINC000817282441 627877288 /nfs/dbraw/zinc/87/72/88/627877288.db2.gz FDEPHYYNUFPUJC-WBVHZDCISA-N 1 1 304.390 3.140 20 5 DGBDMO Cc1ccc(C[NH2+][C@@H](C)c2cn3c(n2)CCCC3)cc1[N+](=O)[O-] ZINC000926795437 627956877 /nfs/dbraw/zinc/95/68/77/627956877.db2.gz KIMFMOLHJNLEQW-ZDUSSCGKSA-N 1 1 314.389 3.287 20 5 DGBDMO C[N@@H+](Cc1ccc([N+](=O)[O-])c(F)c1)C[C@](C)(O)c1ccccc1 ZINC000823606001 628579214 /nfs/dbraw/zinc/57/92/14/628579214.db2.gz PCYOGSBXBBJNNQ-KRWDZBQOSA-N 1 1 318.348 3.073 20 5 DGBDMO CCc1nc(C[NH2+]C/C(C)=C\c2cccc([N+](=O)[O-])c2)co1 ZINC000825062526 628723997 /nfs/dbraw/zinc/72/39/97/628723997.db2.gz ZLNXWXSYZZUPKO-GHXNOFRVSA-N 1 1 301.346 3.338 20 5 DGBDMO O=[N+]([O-])c1cc(C[N@@H+]2CCC[C@@]3(CCOC3)C2)ccc1Cl ZINC000825133255 628731125 /nfs/dbraw/zinc/73/11/25/628731125.db2.gz AQYBCPCCVATOMC-OAHLLOKOSA-N 1 1 310.781 3.251 20 5 DGBDMO O=[N+]([O-])c1cc(C[N@H+]2CCC[C@@]3(CCOC3)C2)ccc1Cl ZINC000825133255 628731126 /nfs/dbraw/zinc/73/11/26/628731126.db2.gz AQYBCPCCVATOMC-OAHLLOKOSA-N 1 1 310.781 3.251 20 5 DGBDMO COC[C@H]1CCC[N@@H+](Cc2cc(Cl)ccc2[N+](=O)[O-])CC1 ZINC000825321990 628749277 /nfs/dbraw/zinc/74/92/77/628749277.db2.gz UHXBIMADTQRUHU-LBPRGKRZSA-N 1 1 312.797 3.497 20 5 DGBDMO C[C@@H]1CCC[N@H+]1CCNc1nccc2c1cccc2[N+](=O)[O-] ZINC000827695911 628983567 /nfs/dbraw/zinc/98/35/67/628983567.db2.gz FHXWNOZVBNBXFU-GFCCVEGCSA-N 1 1 300.362 3.039 20 5 DGBDMO O=C(CC[N@@H+]1CCC[C@@H](c2ccc([N+](=O)[O-])cc2)C1)C1CC1 ZINC000831539354 629388299 /nfs/dbraw/zinc/38/82/99/629388299.db2.gz QFXXFZQSNGINRI-OAHLLOKOSA-N 1 1 302.374 3.143 20 5 DGBDMO CC1(C)C[C@H]([NH2+][C@H]2CCn3ccnc32)c2cc([N+](=O)[O-])ccc21 ZINC000834831148 629785840 /nfs/dbraw/zinc/78/58/40/629785840.db2.gz IHEAPSNZWIZEQK-GJZGRUSLSA-N 1 1 312.373 3.248 20 5 DGBDMO C[N@@H+](CCC(C)(C)C)Cn1cnc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000842632679 630555778 /nfs/dbraw/zinc/55/57/78/630555778.db2.gz ZBCNAUIFOLEWJB-UHFFFAOYSA-N 1 1 317.393 3.179 20 5 DGBDMO Cc1ccc([N+](=O)[O-])cc1C(=O)OC[C@H]1CCC[N@H+](C(C)C)C1 ZINC000842833346 630582427 /nfs/dbraw/zinc/58/24/27/630582427.db2.gz LDESZWMTGNPMGE-AWEZNQCLSA-N 1 1 320.389 3.180 20 5 DGBDMO CC(C)[C@H]1[N@@H+](C[C@@H](O)c2ccc([N+](=O)[O-])cc2)CC12CC=CC2 ZINC000843297878 630643478 /nfs/dbraw/zinc/64/34/78/630643478.db2.gz WERIOEWXELYNNF-IAGOWNOFSA-N 1 1 316.401 3.305 20 5 DGBDMO C[C@H]1C[C@H](C)[N@@H+](Cn2cc(-c3ccccc3[N+](=O)[O-])cn2)C1 ZINC000848479434 631668354 /nfs/dbraw/zinc/66/83/54/631668354.db2.gz AFXAJJQLLNIETH-STQMWFEESA-N 1 1 300.362 3.146 20 5 DGBDMO O=[N+]([O-])c1ccccc1-c1cnn(C[N@H+]2CCCC3(CC3)C2)c1 ZINC000848484761 631669121 /nfs/dbraw/zinc/66/91/21/631669121.db2.gz QALIPCPTBHGWOP-UHFFFAOYSA-N 1 1 312.373 3.292 20 5 DGBDMO C[C@H](C(=O)OCc1ccc(F)cc1[N+](=O)[O-])[N@@H+]1[C@H](C)CC[C@@H]1C ZINC000849731318 631952811 /nfs/dbraw/zinc/95/28/11/631952811.db2.gz AXNPSFSNKNSZHV-GRYCIOLGSA-N 1 1 324.352 3.038 20 5 DGBDMO COc1cc([N+](=O)[O-])ccc1[C@@H](C)[NH2+]C[C@H](C)N1CCCCC1 ZINC000850423702 632148321 /nfs/dbraw/zinc/14/83/21/632148321.db2.gz AGSALUCDLSPASD-UONOGXRCSA-N 1 1 321.421 3.128 20 5 DGBDMO COc1cc([N+](=O)[O-])ccc1[C@H](C)[NH2+]C[C@H](C)N1CCCCC1 ZINC000850423699 632148499 /nfs/dbraw/zinc/14/84/99/632148499.db2.gz AGSALUCDLSPASD-KBPBESRZSA-N 1 1 321.421 3.128 20 5 DGBDMO Cc1noc(C[N@H+]2C[C@@H](C)C[C@@H]2c2ccccc2)c1[N+](=O)[O-] ZINC000852047328 632544411 /nfs/dbraw/zinc/54/44/11/632544411.db2.gz ZQLAVZZCVCLBTK-SMDDNHRTSA-N 1 1 301.346 3.474 20 5 DGBDMO O=[N+]([O-])c1ccc(C[N@H+]2CCC[C@@H](CCF)C2)c([N+](=O)[O-])c1 ZINC000852531939 632618139 /nfs/dbraw/zinc/61/81/39/632618139.db2.gz ZULKLJVRNRATIP-NSHDSACASA-N 1 1 311.313 3.075 20 5 DGBDMO O=[N+]([O-])c1cccc(C[N@@H+]2CC[C@@H](CF)C2)c1Br ZINC000711475151 660954230 /nfs/dbraw/zinc/95/42/30/660954230.db2.gz ILOAHFOCHKRXQM-VIFPVBQESA-N 1 1 317.158 3.149 20 5 DGBDMO O=[N+]([O-])c1cccc(C[N@H+]2CC[C@@H](CF)C2)c1Br ZINC000711475151 660954231 /nfs/dbraw/zinc/95/42/31/660954231.db2.gz ILOAHFOCHKRXQM-VIFPVBQESA-N 1 1 317.158 3.149 20 5 DGBDMO C[N@@H+](C[C@@H](O)c1cccc([N+](=O)[O-])c1)C(C)(C)c1ccccc1 ZINC000792925829 660994121 /nfs/dbraw/zinc/99/41/21/660994121.db2.gz LCEKFCPRVAZXKE-QGZVFWFLSA-N 1 1 314.385 3.495 20 5 DGBDMO O=[N+]([O-])c1ccc(Cl)cc1C[N@H+]1CC[C@]2(C1)CCCOC2 ZINC000792945014 660996090 /nfs/dbraw/zinc/99/60/90/660996090.db2.gz ZZXZTRMCFVZAEE-HNNXBMFYSA-N 1 1 310.781 3.251 20 5 DGBDMO O=[N+]([O-])c1ccc(C[N@H+]2CC[C@]3(C2)CCCOC3)cc1Cl ZINC000793619046 661050592 /nfs/dbraw/zinc/05/05/92/661050592.db2.gz CGIGIYLMKRAHTK-HNNXBMFYSA-N 1 1 310.781 3.251 20 5 DGBDMO Cc1nn(C[N@H+]2CCC(C)=C(C)C2)c2ccc([N+](=O)[O-])cc12 ZINC000794878417 661111265 /nfs/dbraw/zinc/11/12/65/661111265.db2.gz DCDFIAUMDXXNDK-UHFFFAOYSA-N 1 1 300.362 3.253 20 5 DGBDMO CCC(=O)c1ccc(N2C[C@H](C)[N@H+](CC)C[C@H]2C)c([N+](=O)[O-])c1 ZINC000795120455 661127609 /nfs/dbraw/zinc/12/76/09/661127609.db2.gz QPGQRSRJDGYNQF-QWHCGFSZSA-N 1 1 319.405 3.106 20 5 DGBDMO CCC(=O)c1ccc(N2C[C@H](C)[N@@H+](CC)C[C@H]2C)c([N+](=O)[O-])c1 ZINC000795120455 661127611 /nfs/dbraw/zinc/12/76/11/661127611.db2.gz QPGQRSRJDGYNQF-QWHCGFSZSA-N 1 1 319.405 3.106 20 5 DGBDMO O=[N+]([O-])c1ccc(CN2CCC([C@H]3CCC[NH2+]3)CC2)c(Cl)c1 ZINC000261947886 657237506 /nfs/dbraw/zinc/23/75/06/657237506.db2.gz MOROEGJTLDIWQL-MRXNPFEDSA-N 1 1 323.824 3.212 20 5 DGBDMO CC(C)C[N@H+](C)Cc1cccc([N+](=O)[O-])c1Br ZINC000232594885 657334538 /nfs/dbraw/zinc/33/45/38/657334538.db2.gz XULLKLNBAJPWRI-UHFFFAOYSA-N 1 1 301.184 3.445 20 5 DGBDMO CC(C)C[N@@H+](C)Cc1cccc([N+](=O)[O-])c1Br ZINC000232594885 657334545 /nfs/dbraw/zinc/33/45/45/657334545.db2.gz XULLKLNBAJPWRI-UHFFFAOYSA-N 1 1 301.184 3.445 20 5 DGBDMO C[N@@H+](Cc1cc([N+](=O)[O-])ccc1Cl)[C@@H](CO)C(C)(C)C ZINC000179083275 657691836 /nfs/dbraw/zinc/69/18/36/657691836.db2.gz WOVLNXVZIIJDFA-ZDUSSCGKSA-N 1 1 300.786 3.087 20 5 DGBDMO O=[N+]([O-])c1c(F)cccc1N[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000057127604 659004180 /nfs/dbraw/zinc/00/41/80/659004180.db2.gz YSFKOTPBTHMSNV-CQSZACIVSA-N 1 1 315.348 3.420 20 5 DGBDMO Cc1cccc([C@H]2CCC[N@@H+]2Cn2nccc2[N+](=O)[O-])c1C ZINC000172912950 659363602 /nfs/dbraw/zinc/36/36/02/659363602.db2.gz YVWNUANJVUYIOS-OAHLLOKOSA-N 1 1 300.362 3.203 20 5 DGBDMO Cc1cccc([C@H]2CCC[N@H+]2Cn2nccc2[N+](=O)[O-])c1C ZINC000172912950 659363610 /nfs/dbraw/zinc/36/36/10/659363610.db2.gz YVWNUANJVUYIOS-OAHLLOKOSA-N 1 1 300.362 3.203 20 5 DGBDMO CC[C@@H]1C[N@@H+](Cn2nccc2[N+](=O)[O-])CC[C@@H]1c1ccccc1 ZINC000173900884 659404646 /nfs/dbraw/zinc/40/46/46/659404646.db2.gz VJVCTLDKRUYDQR-ZBFHGGJFSA-N 1 1 314.389 3.265 20 5 DGBDMO Cc1nn(C[N@@H+]2CC[C@H](c3ccccc3)[C@@H]2C)c(C)c1[N+](=O)[O-] ZINC000175264981 659918196 /nfs/dbraw/zinc/91/81/96/659918196.db2.gz AWZMGEZSJOTCDN-BBRMVZONSA-N 1 1 314.389 3.244 20 5 DGBDMO Cc1[nH]c(CN(Cc2cccc([N+](=O)[O-])c2)C2CC2)c(C)[nH+]1 ZINC000929852220 661344672 /nfs/dbraw/zinc/34/46/72/661344672.db2.gz HUFOTQWBLJCHQP-UHFFFAOYSA-N 1 1 300.362 3.099 20 5 DGBDMO CC(C)(C)OC[C@H]1CCCN1Cc1cc([O-])ccc1[N+](=O)[O-] ZINC000932167113 661543581 /nfs/dbraw/zinc/54/35/81/661543581.db2.gz HSHPVQKHAFYBLS-CYBMUJFWSA-N 1 1 308.378 3.080 20 5 DGBDMO CCOC(=O)c1ccc(C[NH2+][C@H](C)c2ccc([N+](=O)[O-])cc2)o1 ZINC000932177105 661544653 /nfs/dbraw/zinc/54/46/53/661544653.db2.gz HVALNQZMOAPCOA-LLVKDONJSA-N 1 1 318.329 3.215 20 5 DGBDMO COC(=O)c1ccc([C@@H](C)[NH2+][C@H](C)c2ccc([N+](=O)[O-])cc2)o1 ZINC000932181347 661545218 /nfs/dbraw/zinc/54/52/18/661545218.db2.gz PDIRNTXNWAGSBH-GHMZBOCLSA-N 1 1 318.329 3.386 20 5 DGBDMO CO[C@H]1CC[C@@H]1[N@@H+](C)Cc1cc([N+](=O)[O-])ccc1C(F)(F)F ZINC000934112067 661680966 /nfs/dbraw/zinc/68/09/66/661680966.db2.gz QKZSVJBBYULFOP-STQMWFEESA-N 1 1 318.295 3.223 20 5 DGBDMO O=[N+]([O-])c1ccc(C[N@H+]2CCCC[C@H]([C@@H]3CCOC3)C2)cc1F ZINC000934838240 661739911 /nfs/dbraw/zinc/73/99/11/661739911.db2.gz NXSAFSQYEXJNDO-LSDHHAIUSA-N 1 1 322.380 3.373 20 5 DGBDMO C[N@H+](CCOc1ccccc1F)Cc1cc(F)ccc1[N+](=O)[O-] ZINC000047540663 661878200 /nfs/dbraw/zinc/87/82/00/661878200.db2.gz WZKQSHUFVNEYNP-UHFFFAOYSA-N 1 1 322.311 3.384 20 5 DGBDMO C[N@@H+](CCOc1ccccc1F)Cc1cc(F)ccc1[N+](=O)[O-] ZINC000047540663 661878202 /nfs/dbraw/zinc/87/82/02/661878202.db2.gz WZKQSHUFVNEYNP-UHFFFAOYSA-N 1 1 322.311 3.384 20 5 DGBDMO C[C@H]([NH2+]Cc1ccccc1[N+](=O)[O-])c1ccc([N+](=O)[O-])cc1 ZINC000194619815 662170096 /nfs/dbraw/zinc/17/00/96/662170096.db2.gz ARNLNGDJPOTYNC-NSHDSACASA-N 1 1 301.302 3.354 20 5 DGBDMO Cc1ccc([N+](=O)[O-])c(C)c1CNC[C@H]1CCC[N@H+](C(C)C)C1 ZINC001620780088 1191862789 /nfs/dbraw/zinc/86/27/89/1191862789.db2.gz YWCJQABUBIJCIJ-MRXNPFEDSA-N 1 1 319.449 3.422 20 5 DGBDMO O=[N+]([O-])c1cccc(OCC[N@H+]2CCCC[C@]23CCCOC3)c1 ZINC001620684401 1192066108 /nfs/dbraw/zinc/06/61/08/1192066108.db2.gz IXWRLQRAZVPUCJ-QGZVFWFLSA-N 1 1 320.389 3.009 20 5 DGBDMO COc1cc([N+](=O)[O-])ccc1[C@H](C)[NH2+][C@@H](C)c1cnn(C)c1C ZINC001333320607 1178587954 /nfs/dbraw/zinc/58/79/54/1178587954.db2.gz DRSYMMJHTWQJLG-QWRGUYRKSA-N 1 1 318.377 3.057 20 5 DGBDMO COC(=O)CC(C)(C)[N@@H+](C)Cc1ccc([N+](=O)[O-])cc1Cl ZINC001342326387 1179130301 /nfs/dbraw/zinc/13/03/01/1179130301.db2.gz QGLGQBPGHYNWFW-UHFFFAOYSA-N 1 1 314.769 3.022 20 5 DGBDMO CO[C@H](C[N@H+]1CCc2ccc([N+](=O)[O-])cc2C1)C1CCCC1 ZINC001347105654 1179778141 /nfs/dbraw/zinc/77/81/41/1179778141.db2.gz YLLQZZMFYVGJDB-QGZVFWFLSA-N 1 1 304.390 3.158 20 5 DGBDMO O=[N+]([O-])c1ncccc1C[NH+]1CCC(Nc2ccccc2)CC1 ZINC001350084348 1180012114 /nfs/dbraw/zinc/01/21/14/1180012114.db2.gz AKJACRDLCZKNFO-UHFFFAOYSA-N 1 1 312.373 3.066 20 5 DGBDMO COc1cccc([C@@H]2CCC[N@@H+]2Cc2cccnc2[N+](=O)[O-])c1 ZINC001350087157 1180012841 /nfs/dbraw/zinc/01/28/41/1180012841.db2.gz YUBMDDNRPPDUER-INIZCTEOSA-N 1 1 313.357 3.336 20 5 DGBDMO COc1cccc([C@@H]2CCC[N@H+]2Cc2cccnc2[N+](=O)[O-])c1 ZINC001350087157 1180012848 /nfs/dbraw/zinc/01/28/48/1180012848.db2.gz YUBMDDNRPPDUER-INIZCTEOSA-N 1 1 313.357 3.336 20 5 DGBDMO Cc1cc(C[NH2+]Cc2ccc(-c3cccc([N+](=O)[O-])c3)o2)[nH]n1 ZINC001461230107 1182783807 /nfs/dbraw/zinc/78/38/07/1182783807.db2.gz HTNSWHXOFXVPOT-UHFFFAOYSA-N 1 1 312.329 3.176 20 5 DGBDMO Cc1ccc([N+](=O)[O-])c(C)c1C[N@H+]1CCOC[C@@H]1CC(C)C ZINC001461975623 1182890570 /nfs/dbraw/zinc/89/05/70/1182890570.db2.gz JDHOVVPFWNJKRE-HNNXBMFYSA-N 1 1 306.406 3.459 20 5 DGBDMO Cc1ccc([N+](=O)[O-])c(C)c1C[N@@H+]1CCOC[C@@H]1CC(C)C ZINC001461975623 1182890576 /nfs/dbraw/zinc/89/05/76/1182890576.db2.gz JDHOVVPFWNJKRE-HNNXBMFYSA-N 1 1 306.406 3.459 20 5 DGBDMO Cc1ccc([N+](=O)[O-])c(C)c1C[N@@H+]1C[C@]2(CCCO2)[C@@H]1C1CC1 ZINC001462283064 1182933909 /nfs/dbraw/zinc/93/39/09/1182933909.db2.gz YGNWBMKBTXXXGB-ZWKOTPCHSA-N 1 1 316.401 3.355 20 5 DGBDMO Cc1ccc([N+](=O)[O-])c(C)c1C[N@H+]1C[C@]2(CCCO2)[C@@H]1C1CC1 ZINC001462283064 1182933912 /nfs/dbraw/zinc/93/39/12/1182933912.db2.gz YGNWBMKBTXXXGB-ZWKOTPCHSA-N 1 1 316.401 3.355 20 5 DGBDMO C[C@@H]([NH2+]Cc1cnc2ccccc2n1)c1ccc([N+](=O)[O-])cc1 ZINC001462576332 1182971776 /nfs/dbraw/zinc/97/17/76/1182971776.db2.gz KCKXUDVZMGBSRL-GFCCVEGCSA-N 1 1 308.341 3.389 20 5 DGBDMO O=[N+]([O-])c1c(N[C@H]2CC[N@H+](C3CC3)C2)cccc1C(F)(F)F ZINC001472671012 1183663979 /nfs/dbraw/zinc/66/39/79/1183663979.db2.gz XSKJMORSFWNWLM-VIFPVBQESA-N 1 1 315.295 3.262 20 5 DGBDMO Cc1cc(N2CC[N@@H+](C3CCCC3)[C@H](C)C2)c(F)cc1[N+](=O)[O-] ZINC001472879031 1183695247 /nfs/dbraw/zinc/69/52/47/1183695247.db2.gz WHSHFTDPCIQEGL-CYBMUJFWSA-N 1 1 321.396 3.495 20 5 DGBDMO Cc1ccc(NCCNc2ncc([N+](=O)[O-])c3ccccc32)[nH+]c1 ZINC001472885502 1183696015 /nfs/dbraw/zinc/69/60/15/1183696015.db2.gz YADFKBCQGMOYRY-UHFFFAOYSA-N 1 1 323.356 3.370 20 5 DGBDMO CC[NH+](CC)CCN(Cc1cc(O)ccc1[N+](=O)[O-])CC(C)C ZINC001473211404 1183730467 /nfs/dbraw/zinc/73/04/67/1183730467.db2.gz LZIRNSJAMUAWLD-UHFFFAOYSA-N 1 1 323.437 3.100 20 5 DGBDMO C[C@H]1CN(Cc2cccc([N+](=O)[O-])c2)CC[N@H+]1C1CCCC1 ZINC001473797356 1183805049 /nfs/dbraw/zinc/80/50/49/1183805049.db2.gz LRXSUFSDNSRQKL-AWEZNQCLSA-N 1 1 303.406 3.044 20 5 DGBDMO COc1ccc(OCC[N@H+]2CC[C@@H](C)C[C@@H](C)C2)c([N+](=O)[O-])c1 ZINC001473806440 1183805923 /nfs/dbraw/zinc/80/59/23/1183805923.db2.gz CEAULVKZKRJMHE-ZIAGYGMSSA-N 1 1 322.405 3.350 20 5 DGBDMO O=[N+]([O-])c1ccc(CC[N@H+]2CCCSC[C@H]2C2CC2)cc1 ZINC001473843808 1183811454 /nfs/dbraw/zinc/81/14/54/1183811454.db2.gz MADQMPLFZGIDQT-INIZCTEOSA-N 1 1 306.431 3.355 20 5 DGBDMO O=[N+]([O-])c1cccc(OCC[N@H+]2CCCC[C@H]2[C@H]2CCCO2)c1 ZINC001473884440 1183818997 /nfs/dbraw/zinc/81/89/97/1183818997.db2.gz IUQBFGJLVIRFDU-DLBZAZTESA-N 1 1 320.389 3.007 20 5 DGBDMO CC(C)C1(O)CC[NH+](Cc2ccc(Cl)c([N+](=O)[O-])c2)CC1 ZINC001473883239 1183819116 /nfs/dbraw/zinc/81/91/16/1183819116.db2.gz CVLJVHWNYVAVKT-UHFFFAOYSA-N 1 1 312.797 3.231 20 5 DGBDMO O=[N+]([O-])c1cc(F)ccc1C[N@@H+]1CCCC[C@]12CCCOC2 ZINC001473901532 1183822823 /nfs/dbraw/zinc/82/28/23/1183822823.db2.gz LRNMZDDPGRQEIL-MRXNPFEDSA-N 1 1 308.353 3.269 20 5 DGBDMO O=[N+]([O-])c1cc(F)ccc1C[N@H+]1CCCC[C@]12CCCOC2 ZINC001473901532 1183822824 /nfs/dbraw/zinc/82/28/24/1183822824.db2.gz LRNMZDDPGRQEIL-MRXNPFEDSA-N 1 1 308.353 3.269 20 5 DGBDMO CC[N@H+]1CC[C@H]1CNc1cccc(C(F)(F)F)c1[N+](=O)[O-] ZINC001612809724 1193461518 /nfs/dbraw/zinc/46/15/18/1193461518.db2.gz CIEWVCAAFFNSGN-VIFPVBQESA-N 1 1 303.284 3.120 20 5 DGBDMO C[C@@H]1CC[N@@H+](CCOc2ccc([N+](=O)[O-])cc2)CC12CCC2 ZINC001616631077 1193543743 /nfs/dbraw/zinc/54/37/43/1193543743.db2.gz YTGNFKSTSBCSHJ-CQSZACIVSA-N 1 1 304.390 3.486 20 5 DGBDMO COc1ccc(Cl)cc1[C@H](CC(C)C)[NH2+]CC[N+](=O)[O-] ZINC001616713974 1193545767 /nfs/dbraw/zinc/54/57/67/1193545767.db2.gz GJCKRBNCSNGHRW-ZDUSSCGKSA-N 1 1 300.786 3.302 20 5 DGBDMO CC(C)[N@H+]1CCCC[C@H]1CN(C)CCc1cccc([N+](=O)[O-])c1 ZINC001617464584 1193570455 /nfs/dbraw/zinc/57/04/55/1193570455.db2.gz GOKMWIWYBUZWDR-SFHVURJKSA-N 1 1 319.449 3.332 20 5 DGBDMO C[N@@H+](CCOCC1CCCC1)CCc1ccccc1[N+](=O)[O-] ZINC001617859519 1193583525 /nfs/dbraw/zinc/58/35/25/1193583525.db2.gz CSQPDKNQVSREPG-UHFFFAOYSA-N 1 1 306.406 3.276 20 5 DGBDMO O=[N+]([O-])c1cccc(C[N@@H+](CCCOC(F)(F)F)C2CC2)c1 ZINC001559607479 1189223002 /nfs/dbraw/zinc/22/30/02/1189223002.db2.gz NKFNGOPGOKSOAO-UHFFFAOYSA-N 1 1 318.295 3.486 20 5 DGBDMO C[N@@H+](CCc1cccc([N+](=O)[O-])c1)C[C@H]1CCC2(CCC2)CO1 ZINC001559782704 1189241235 /nfs/dbraw/zinc/24/12/35/1189241235.db2.gz WTLCAJPQAZCOFQ-QGZVFWFLSA-N 1 1 318.417 3.418 20 5 DGBDMO O=[N+]([O-])c1cc(C[N@@H+]2CC[C@@H](c3ncccn3)C2)ccc1Cl ZINC001560177948 1189287736 /nfs/dbraw/zinc/28/77/36/1189287736.db2.gz JORCYVWLNCFZTD-GFCCVEGCSA-N 1 1 318.764 3.028 20 5 DGBDMO O=[N+]([O-])c1cc(C[N@H+]2CC[C@@H](c3ncccn3)C2)ccc1Cl ZINC001560177948 1189287740 /nfs/dbraw/zinc/28/77/40/1189287740.db2.gz JORCYVWLNCFZTD-GFCCVEGCSA-N 1 1 318.764 3.028 20 5 DGBDMO O=[N+]([O-])c1ccc(C[N@@H+]2CC[C@H](c3ncccn3)C2)c(Cl)c1 ZINC001560176971 1189288059 /nfs/dbraw/zinc/28/80/59/1189288059.db2.gz KSMWGQUYSBMZKJ-LBPRGKRZSA-N 1 1 318.764 3.028 20 5 DGBDMO O=[N+]([O-])c1ccc(C[N@H+]2CC[C@H](c3ncccn3)C2)c(Cl)c1 ZINC001560176971 1189288061 /nfs/dbraw/zinc/28/80/61/1189288061.db2.gz KSMWGQUYSBMZKJ-LBPRGKRZSA-N 1 1 318.764 3.028 20 5 DGBDMO Cc1c(C[NH2+]C[C@H](C(C)C)N2CCCC2)cccc1[N+](=O)[O-] ZINC001560260745 1189301540 /nfs/dbraw/zinc/30/15/40/1189301540.db2.gz UEALZUOZTKOPAX-QGZVFWFLSA-N 1 1 305.422 3.113 20 5 DGBDMO C[C@@H]([NH2+]Cc1cc2c(cc[nH]c2=O)o1)c1ccc([N+](=O)[O-])cc1 ZINC001560587658 1189344732 /nfs/dbraw/zinc/34/47/32/1189344732.db2.gz WVGCWWLZOSZFBA-SNVBAGLBSA-N 1 1 313.313 3.292 20 5 DGBDMO CC(C)C[N@@H+](C)CCCNCc1ccc(Cl)cc1[N+](=O)[O-] ZINC001560915920 1189405127 /nfs/dbraw/zinc/40/51/27/1189405127.db2.gz ADDUJGGBKSAIGK-UHFFFAOYSA-N 1 1 313.829 3.316 20 5 DGBDMO C[C@H](CCc1ccccc1[N+](=O)[O-])[NH2+]C[C@H]1CCC(C)(C)CN1 ZINC001575967103 1191520707 /nfs/dbraw/zinc/52/07/07/1191520707.db2.gz VAWZUILTZOWFLR-GDBMZVCRSA-N 1 1 319.449 3.284 20 5 DGBDMO C[C@H](c1ccccc1[N+](=O)[O-])N1C[C@H]2CCCC[C@]2(C[NH3+])C1 ZINC001576315827 1191560811 /nfs/dbraw/zinc/56/08/11/1191560811.db2.gz MWJCPQVUPAKYSK-CPUCHLNUSA-N 1 1 303.406 3.107 20 5 DGBDMO Cn1cc(C[N@H+]2CC[C@@H](CC(C)(C)C)C2(C)C)c([N+](=O)[O-])n1 ZINC001618478933 1193740514 /nfs/dbraw/zinc/74/05/14/1193740514.db2.gz XNLYLCOXRNTVJQ-ZDUSSCGKSA-N 1 1 308.426 3.365 20 5 DGBDMO CC[N@@H+](CCOc1cccc([N+](=O)[O-])c1)Cc1occc1C ZINC001618606015 1193745000 /nfs/dbraw/zinc/74/50/00/1193745000.db2.gz BRCAARBMWXGXJV-UHFFFAOYSA-N 1 1 304.346 3.397 20 5 DGBDMO COc1ccc(C[NH2+]Cc2noc3ccccc23)cc1[N+](=O)[O-] ZINC001621065434 1193798350 /nfs/dbraw/zinc/79/83/50/1193798350.db2.gz ZBZUINPHRZTGRX-UHFFFAOYSA-N 1 1 313.313 3.034 20 5 DGBDMO COc1c(O)ccc(C[N@H+]2CC3(CCC3)[C@H]2C(C)C)c1[N+](=O)[O-] ZINC001621361851 1193832910 /nfs/dbraw/zinc/83/29/10/1193832910.db2.gz RCXPFAYGPFCALM-MRXNPFEDSA-N 1 1 320.389 3.320 20 5 DGBDMO Cc1ccc([N+](=O)[O-])c(C)c1NC(=O)c1ccc(C[NH+](C)C)o1 ZINC001625615350 1194061502 /nfs/dbraw/zinc/06/15/02/1194061502.db2.gz GDJTYNDGULVSEQ-UHFFFAOYSA-N 1 1 317.345 3.119 20 5 DGBDMO CC[N@H+]1CCN(c2cc(C(F)(F)F)ccc2[N+](=O)[O-])C[C@@H]1C ZINC001639655671 1194775718 /nfs/dbraw/zinc/77/57/18/1194775718.db2.gz MWICXMSSJQSOEU-JTQLQIEISA-N 1 1 317.311 3.144 20 5 DGBDMO O=[N+]([O-])c1sccc1N1C[C@@H]2C[C@H]1C[N@@H+]2Cc1ccccc1 ZINC001640221302 1194802743 /nfs/dbraw/zinc/80/27/43/1194802743.db2.gz TVDGEPCXDXVZBH-KBPBESRZSA-N 1 1 315.398 3.119 20 5 DGBDMO O=[N+]([O-])c1sccc1N1C[C@@H]2C[C@H]1C[N@H+]2Cc1ccccc1 ZINC001640221302 1194802744 /nfs/dbraw/zinc/80/27/44/1194802744.db2.gz TVDGEPCXDXVZBH-KBPBESRZSA-N 1 1 315.398 3.119 20 5 DGBDMO COCC[N@@H+](CCOc1ccc([N+](=O)[O-])cc1)[C@@H]1CC[C@@H](C)C1 ZINC001642938577 1194955334 /nfs/dbraw/zinc/95/53/34/1194955334.db2.gz YTPLIFGKZAYQLT-GDBMZVCRSA-N 1 1 322.405 3.111 20 5 DGBDMO CC[C@H](C)[N@@H+](CC)CC(=O)Nc1ccc(Cl)c([N+](=O)[O-])c1 ZINC001643799390 1195055376 /nfs/dbraw/zinc/05/53/76/1195055376.db2.gz MYWORTUTTVPVJS-JTQLQIEISA-N 1 1 313.785 3.307 20 5 DGBDMO O=[N+]([O-])c1ccccc1C[NH2+][C@@H](Cn1ccnc1)c1ccccc1 ZINC001644291435 1195096166 /nfs/dbraw/zinc/09/61/66/1195096166.db2.gz GVGQBHRXUUKNIG-KRWDZBQOSA-N 1 1 322.368 3.322 20 5 DGBDMO CC[C@H]([NH2+]Cc1cn(C)nc1[N+](=O)[O-])c1ccc(C)c(F)c1 ZINC001645142327 1195160739 /nfs/dbraw/zinc/16/07/39/1195160739.db2.gz ZPSGHGBLUHUREK-AWEZNQCLSA-N 1 1 306.341 3.017 20 5 DGBDMO Cc1ccccc1[C@H](CO)[NH2+]Cc1cc([N+](=O)[O-])ccc1Cl ZINC001645260330 1195170368 /nfs/dbraw/zinc/17/03/68/1195170368.db2.gz FYJXBZKVVJJOQS-INIZCTEOSA-N 1 1 320.776 3.380 20 5 DGBDMO CC[C@@H]1CCC[C@H](C)[N@H+]1CC(=O)Nc1cc([N+](=O)[O-])ccc1C ZINC001647831741 1195256490 /nfs/dbraw/zinc/25/64/90/1195256490.db2.gz XIYYCUCLWXTWSY-UONOGXRCSA-N 1 1 319.405 3.495 20 5 DGBDMO Cc1ccc([N+](=O)[O-])cc1[C@H](C)[N@H+]1CC[C@@H](c2cnccn2)C1 ZINC001648442329 1195301399 /nfs/dbraw/zinc/30/13/99/1195301399.db2.gz GYZCFGVNLXOQRP-UONOGXRCSA-N 1 1 312.373 3.244 20 5 DGBDMO Cc1cc(C)c(Cn2cnc(-c3cccc([N+](=O)[O-])c3)n2)c(C)[nH+]1 ZINC001651797173 1195510612 /nfs/dbraw/zinc/51/06/12/1195510612.db2.gz RXZCKTVFOUGHJS-UHFFFAOYSA-N 1 1 323.356 3.222 20 5 DGBDMO CC[N@H+]1CC[C@H]1CNc1ccc([N+](=O)[O-])c(-c2ccccc2)n1 ZINC001652157065 1195555715 /nfs/dbraw/zinc/55/57/15/1195555715.db2.gz DNVAMYPMKJLRQG-AWEZNQCLSA-N 1 1 312.373 3.163 20 5 DGBDMO Cc1ccc([N+](=O)[O-])c(N2CC[N@@H+](C3CCCC3)[C@H](C)C2)c1 ZINC001652234062 1195566891 /nfs/dbraw/zinc/56/68/91/1195566891.db2.gz MXOQNKVTZXTTSX-CQSZACIVSA-N 1 1 303.406 3.356 20 5 DGBDMO CC[C@@H]1CC[N@@H+](CCC(=O)Nc2ccc([N+](=O)[O-])cc2C)[C@H]1C ZINC001654218876 1195785308 /nfs/dbraw/zinc/78/53/08/1195785308.db2.gz PZGNFZBCTDPKRJ-UONOGXRCSA-N 1 1 319.405 3.352 20 5 DGBDMO CC[C@@H]1CC[N@@H+](CCC(=O)Nc2ccc([N+](=O)[O-])cc2C)[C@@H]1C ZINC001654218877 1195785583 /nfs/dbraw/zinc/78/55/83/1195785583.db2.gz PZGNFZBCTDPKRJ-ZIAGYGMSSA-N 1 1 319.405 3.352 20 5 DGBDMO O=[N+]([O-])c1ccc(OCCC[N@H+]2CCC[C@H](CCF)C2)cc1 ZINC001654235190 1195787377 /nfs/dbraw/zinc/78/73/77/1195787377.db2.gz CWYPIJRCFKQLFC-CQSZACIVSA-N 1 1 310.369 3.435 20 5 DGBDMO CC[N@@H+](Cc1cccc([N+](=O)[O-])c1C)[C@@H](CO)c1ccccc1 ZINC001654616853 1195823098 /nfs/dbraw/zinc/82/30/98/1195823098.db2.gz PQRYUIKTYMJKCQ-SFHVURJKSA-N 1 1 314.385 3.459 20 5 DGBDMO O=[N+]([O-])c1cccc(F)c1NCC[N@@H+]1CCc2ccccc2C1 ZINC001654952842 1195857948 /nfs/dbraw/zinc/85/79/48/1195857948.db2.gz RMAQFHNOUGCQLP-UHFFFAOYSA-N 1 1 315.348 3.204 20 5 DGBDMO O=[N+]([O-])c1cccc(F)c1NCC[N@H+]1CCc2ccccc2C1 ZINC001654952842 1195857952 /nfs/dbraw/zinc/85/79/52/1195857952.db2.gz RMAQFHNOUGCQLP-UHFFFAOYSA-N 1 1 315.348 3.204 20 5 DGBDMO C[N@H+]1CCC[C@H]1CNc1c(Cl)c(Cl)ccc1[N+](=O)[O-] ZINC001655731078 1195957559 /nfs/dbraw/zinc/95/75/59/1195957559.db2.gz XBPXSMORBFIWRL-QMMMGPOBSA-N 1 1 304.177 3.408 20 5 DGBDMO Cc1n[nH]cc1C[NH2+]Cc1ccc(-c2cccc([N+](=O)[O-])c2)o1 ZINC001656031251 1195989837 /nfs/dbraw/zinc/98/98/37/1195989837.db2.gz BXTOGMXLAWVPCF-UHFFFAOYSA-N 1 1 312.329 3.176 20 5 DGBDMO Cc1c(CNC[C@@H](C)[N@@H+]2CCCC[C@@H]2C)cccc1[N+](=O)[O-] ZINC001656774067 1196070158 /nfs/dbraw/zinc/07/01/58/1196070158.db2.gz IWLLLWYAGWZCOJ-UONOGXRCSA-N 1 1 305.422 3.256 20 5 DGBDMO Cc1c(CNC[C@@H](C)[N@H+]2CCCC[C@@H]2C)cccc1[N+](=O)[O-] ZINC001656774067 1196070160 /nfs/dbraw/zinc/07/01/60/1196070160.db2.gz IWLLLWYAGWZCOJ-UONOGXRCSA-N 1 1 305.422 3.256 20 5 DGBDMO Cc1ccc([N+](=O)[O-])c(C)c1CN[C@@H](C)C[N@@H+]1CCC[C@@H](C)C1 ZINC001656947321 1196085446 /nfs/dbraw/zinc/08/54/46/1196085446.db2.gz UCSIVRNSMNXZLU-HIFRSBDPSA-N 1 1 319.449 3.422 20 5 DGBDMO Cc1ccc([N+](=O)[O-])c(C)c1CN[C@@H](C)C[N@H+]1CCC[C@@H](C)C1 ZINC001656947321 1196085448 /nfs/dbraw/zinc/08/54/48/1196085448.db2.gz UCSIVRNSMNXZLU-HIFRSBDPSA-N 1 1 319.449 3.422 20 5 DGBDMO CC[N@@H+](CCn1c(C)ncc1[N+](=O)[O-])Cc1ccc(Cl)cc1 ZINC001657110936 1196107325 /nfs/dbraw/zinc/10/73/25/1196107325.db2.gz CCJHOPXCWZOMBZ-UHFFFAOYSA-N 1 1 322.796 3.275 20 5 DGBDMO CC1CCC([N@@H+](CC[N+](=O)[O-])Cc2ccc3c(c2)OCO3)CC1 ZINC001657178375 1196115844 /nfs/dbraw/zinc/11/58/44/1196115844.db2.gz KKJGHJZQZOPFHI-UHFFFAOYSA-N 1 1 320.389 3.073 20 5 DGBDMO O=[N+]([O-])c1ccccc1CC[NH2+]Cc1c[nH]c(-c2ccccc2)n1 ZINC001657887959 1196190637 /nfs/dbraw/zinc/19/06/37/1196190637.db2.gz ZPAOLYOKSKDCNB-UHFFFAOYSA-N 1 1 322.368 3.317 20 5 DGBDMO Cc1ccc([N+](=O)[O-])c(C)c1C[N@H+]1CCOC[C@H](C2CCC2)C1 ZINC001658186470 1196222364 /nfs/dbraw/zinc/22/23/64/1196222364.db2.gz QTBPYRYRBIYALN-MRXNPFEDSA-N 1 1 318.417 3.460 20 5 DGBDMO CC1(C)CC[C@@H](CO)[N@H+](Cc2cc([N+](=O)[O-])ccc2Cl)C1 ZINC001659544165 1196393777 /nfs/dbraw/zinc/39/37/77/1196393777.db2.gz JQDUUJOSDLNUMY-ZDUSSCGKSA-N 1 1 312.797 3.231 20 5 DGBDMO CC1(C)CC[C@@H](CO)[N@@H+](Cc2cc([N+](=O)[O-])ccc2Cl)C1 ZINC001659544165 1196393784 /nfs/dbraw/zinc/39/37/84/1196393784.db2.gz JQDUUJOSDLNUMY-ZDUSSCGKSA-N 1 1 312.797 3.231 20 5 DGBDMO CC[C@@H](CNCc1c(C)ccc([N+](=O)[O-])c1C)[NH+]1CCCC1 ZINC001660880214 1196537713 /nfs/dbraw/zinc/53/77/13/1196537713.db2.gz UZEADAOIGYIZIX-HNNXBMFYSA-N 1 1 305.422 3.176 20 5 DGBDMO COc1ccc(C[C@@H](C)[N@@H+]2CC[C@@H](OC)C[C@H]2C)c([N+](=O)[O-])c1 ZINC001170355879 1082351145 /nfs/dbraw/zinc/35/11/45/1082351145.db2.gz RYTUIIASEWTMCG-XJKCOSOUSA-N 1 1 322.405 3.034 20 5 DGBDMO CCO[C@H]1CCC[N@H+]([C@H](C)Cc2ccc(OC)cc2[N+](=O)[O-])C1 ZINC001170344655 1082355296 /nfs/dbraw/zinc/35/52/96/1082355296.db2.gz DRVMAANMDPBYED-CJNGLKHVSA-N 1 1 322.405 3.035 20 5 DGBDMO CCCO[C@H]1CC[N@H+]([C@H](C)Cc2ccc(OC)cc2[N+](=O)[O-])C1 ZINC001170344357 1082355307 /nfs/dbraw/zinc/35/53/07/1082355307.db2.gz BBSJLFAUZDHMAQ-CJNGLKHVSA-N 1 1 322.405 3.035 20 5 DGBDMO COc1c(O)ccc(C[N@H+]2CCCC[C@@H]2C2CCC2)c1[N+](=O)[O-] ZINC001182734264 1083792809 /nfs/dbraw/zinc/79/28/09/1083792809.db2.gz SQBIVMJEWZMIKP-CQSZACIVSA-N 1 1 320.389 3.464 20 5 DGBDMO C[C@@H]1CCCC[C@H]1C[N@H+]1CC[C@@H](Nc2ccc([N+](=O)[O-])cn2)C1 ZINC001167778215 1083797055 /nfs/dbraw/zinc/79/70/55/1083797055.db2.gz BZBCGHINUJCAHV-QLFBSQMISA-N 1 1 318.421 3.302 20 5 DGBDMO Cc1[nH+]c(N)ccc1CNc1ccc2ncccc2c1[N+](=O)[O-] ZINC001167785994 1083929461 /nfs/dbraw/zinc/92/94/61/1083929461.db2.gz JZGBPNOXVPBUPW-UHFFFAOYSA-N 1 1 309.329 3.041 20 5 DGBDMO Cc1cc(C)c([N+](=O)[O-])c(C)c1NCc1ccc(N)[nH+]c1C ZINC001167786914 1083948658 /nfs/dbraw/zinc/94/86/58/1083948658.db2.gz YXMSEZXNRJLBKU-UHFFFAOYSA-N 1 1 300.362 3.418 20 5 DGBDMO C[N@H+]1CCCC(C)(C)[C@H]1CNc1ncc(Cl)cc1[N+](=O)[O-] ZINC001186368652 1084635965 /nfs/dbraw/zinc/63/59/65/1084635965.db2.gz VCGMAALJOULTRC-GFCCVEGCSA-N 1 1 312.801 3.176 20 5 DGBDMO CCC[N@@H+](Cc1cc(Cl)ccc1[N+](=O)[O-])CC(C)(C)O ZINC000691036091 1087574624 /nfs/dbraw/zinc/57/46/24/1087574624.db2.gz HXJAEPIKCKUTOZ-UHFFFAOYSA-N 1 1 300.786 3.231 20 5 DGBDMO C[N@@H+]1[C@@H]2CCC[C@H]1C[C@H](Nc1nccc(Cl)c1[N+](=O)[O-])C2 ZINC001160464892 1088817806 /nfs/dbraw/zinc/81/78/06/1088817806.db2.gz APVOYTYSVSNRIA-RTCCRHLQSA-N 1 1 310.785 3.070 20 5 DGBDMO Cc1cc(Cl)c([N+](=O)[O-])c(N[C@@H]2C[C@H]3CCC[C@@H](C2)[N@@H+]3C)n1 ZINC001160468826 1088822657 /nfs/dbraw/zinc/82/26/57/1088822657.db2.gz HXVAGQJOEJQEJK-CNDDSTCGSA-N 1 1 324.812 3.379 20 5 DGBDMO C[N@H+]1CCC[C@@H]1CCNc1ccc2c(cccc2[N+](=O)[O-])n1 ZINC001160963899 1089048767 /nfs/dbraw/zinc/04/87/67/1089048767.db2.gz JVECNMXQGMBSLI-GFCCVEGCSA-N 1 1 300.362 3.039 20 5 DGBDMO C[N@@H+]1CCc2c(NC3Cc4ccccc4C3)ccc([N+](=O)[O-])c2C1 ZINC001161762561 1089388535 /nfs/dbraw/zinc/38/85/35/1089388535.db2.gz ILXFJARKGSFHLU-UHFFFAOYSA-N 1 1 323.396 3.162 20 5 DGBDMO C[N@H+]1CCc2c(NC3Cc4ccccc4C3)ccc([N+](=O)[O-])c2C1 ZINC001161762561 1089388547 /nfs/dbraw/zinc/38/85/47/1089388547.db2.gz ILXFJARKGSFHLU-UHFFFAOYSA-N 1 1 323.396 3.162 20 5 DGBDMO Cc1[nH+]c(N)ccc1CNc1nccc2ccc([N+](=O)[O-])cc21 ZINC001156980829 1089776539 /nfs/dbraw/zinc/77/65/39/1089776539.db2.gz LVDINOJLOMTKBB-UHFFFAOYSA-N 1 1 309.329 3.041 20 5 DGBDMO C[C@@H]([NH3+])c1ccc2c(ccn2-c2ccc3[nH]cnc3c2[N+](=O)[O-])c1 ZINC001162908938 1090019566 /nfs/dbraw/zinc/01/95/66/1090019566.db2.gz STFDJYGNAHEIMU-SNVBAGLBSA-N 1 1 321.340 3.435 20 5 DGBDMO CC(C)[N@H+]1CC[C@H](Nc2ncc([N+](=O)[O-])cc2Cl)[C@@H](C)C1 ZINC001163358621 1090161928 /nfs/dbraw/zinc/16/19/28/1090161928.db2.gz WHFBFYXVJKCGMH-GWCFXTLKSA-N 1 1 312.801 3.174 20 5 DGBDMO CCC[N@@H+](CC)C[C@H](C)Nc1nc2c(cc1[N+](=O)[O-])CCCC2 ZINC001163437476 1090186804 /nfs/dbraw/zinc/18/68/04/1090186804.db2.gz QIYAZXCBWXOVPW-ZDUSSCGKSA-N 1 1 320.437 3.401 20 5 DGBDMO Cc1cc(N2C[C@@H]3C[C@H]2C[N@H+]3Cc2ccccc2)ccc1[N+](=O)[O-] ZINC001163826422 1090267044 /nfs/dbraw/zinc/26/70/44/1090267044.db2.gz WBVDLAOBWLTKLM-ROUUACIJSA-N 1 1 323.396 3.366 20 5 DGBDMO C[C@@H]1CCCN(c2cc(/C=C/[NH+](C)C)c([N+](=O)[O-])cn2)[C@@H]1C ZINC001166612567 1090629101 /nfs/dbraw/zinc/62/91/01/1090629101.db2.gz OQHNKAIDTOOCBJ-SKFMMRCFSA-N 1 1 304.394 3.147 20 5 DGBDMO CC[N@@H+]([C@H](C)Cc1ccc(OC)cc1)[C@H]1CC[C@@H](C[N+](=O)[O-])C1 ZINC001169005918 1092482949 /nfs/dbraw/zinc/48/29/49/1092482949.db2.gz DHVRFRFHCTWKBR-OIISXLGYSA-N 1 1 320.433 3.394 20 5 DGBDMO COc1cccc([C@@H]2CCC[N@H+]2[C@H]2CC[C@@H](C[N+](=O)[O-])C2)c1 ZINC001169036598 1092498458 /nfs/dbraw/zinc/49/84/58/1092498458.db2.gz GZEQPSGABLKABH-KMFMINBZSA-N 1 1 304.390 3.278 20 5 DGBDMO COc1ccc(C2=CC[N@H+]([C@@H]3CC[C@H](C[N+](=O)[O-])C3)CC2)cc1 ZINC001169042430 1092501270 /nfs/dbraw/zinc/50/12/70/1092501270.db2.gz DHKDGHSAGQGHSF-WMLDXEAASA-N 1 1 316.401 3.230 20 5 DGBDMO CC(=O)C(=O)Nc1cc2[nH+]c3cc(N(C)C)ccc3cc2cc1C ZINC001142699772 1092534547 /nfs/dbraw/zinc/53/45/47/1092534547.db2.gz QLJQQBIIRAUCSR-UHFFFAOYSA-N 1 1 321.380 3.290 20 5 DGBDMO Cc1[nH+]ccn1-c1ccc(Nc2ccc(N)c([N+](=O)[O-])c2)cc1 ZINC001209936624 1092989537 /nfs/dbraw/zinc/98/95/37/1092989537.db2.gz VAMMYHISNLRISH-UHFFFAOYSA-N 1 1 309.329 3.415 20 5 DGBDMO O=[N+]([O-])c1ccccc1N1CC[NH+](CCCC(F)(F)F)CC1 ZINC001120007350 1094345079 /nfs/dbraw/zinc/34/50/79/1094345079.db2.gz QKIIPUBPIJKJGF-UHFFFAOYSA-N 1 1 317.311 3.059 20 5 DGBDMO Cc1cc(C)c([N+](=O)[O-])cc1NC(=O)[C@H]1CCC[N@H+](C(C)C)C1 ZINC001135494946 1094554414 /nfs/dbraw/zinc/55/44/14/1094554414.db2.gz OMDNOEWASOZRCV-AWEZNQCLSA-N 1 1 319.405 3.271 20 5 DGBDMO Cc1ccc([N+](=O)[O-])c(C)c1C[N@H+]1CC[C@@H]2OCCC[C@@H]2C1 ZINC001336721648 1094710385 /nfs/dbraw/zinc/71/03/85/1094710385.db2.gz NIRFAYRULRBOEW-PBHICJAKSA-N 1 1 304.390 3.213 20 5 DGBDMO O=[N+]([O-])c1ncccc1C[N@@H+]1Cc2ccccc2C2(CCC2)C1 ZINC001337586723 1095028234 /nfs/dbraw/zinc/02/82/34/1095028234.db2.gz UYFZKPYHQWQBHY-UHFFFAOYSA-N 1 1 309.369 3.427 20 5 DGBDMO O=[N+]([O-])c1ncccc1C[N@H+]1Cc2ccccc2C2(CCC2)C1 ZINC001337586723 1095028247 /nfs/dbraw/zinc/02/82/47/1095028247.db2.gz UYFZKPYHQWQBHY-UHFFFAOYSA-N 1 1 309.369 3.427 20 5 DGBDMO O=[N+]([O-])c1ccc2c(c1)nccc2N[C@H]1CC[N@H+]2CCCC[C@@H]12 ZINC001337733491 1095074914 /nfs/dbraw/zinc/07/49/14/1095074914.db2.gz MQXUFNFORCIFSU-RDJZCZTQSA-N 1 1 312.373 3.182 20 5 DGBDMO O=[N+]([O-])c1ccc2c(ccnc2N[C@H]2CC[N@H+]3CCCC[C@@H]23)c1 ZINC001337735100 1095076767 /nfs/dbraw/zinc/07/67/67/1095076767.db2.gz SHLWTIYNKWNKQW-HOTGVXAUSA-N 1 1 312.373 3.182 20 5 DGBDMO C[N@@H+]1[C@@H]2CCC[C@H]1C[C@H](Nc1cc(Cl)ncc1[N+](=O)[O-])C2 ZINC001160468473 1095450978 /nfs/dbraw/zinc/45/09/78/1095450978.db2.gz AEERLPMWSAAAFC-RTCCRHLQSA-N 1 1 310.785 3.070 20 5 DGBDMO O=[N+]([O-])c1cccc(CO[C@H]2CC[N@@H+](Cc3ccccc3)C2)c1 ZINC001222769498 1095748720 /nfs/dbraw/zinc/74/87/20/1095748720.db2.gz UUEKBYPCSGTQOO-SFHVURJKSA-N 1 1 312.369 3.386 20 5 DGBDMO O=[N+]([O-])c1cc(Cl)ccc1CN1CCCC2(CC[NH2+]CC2)C1 ZINC001118264139 1095969759 /nfs/dbraw/zinc/96/97/59/1095969759.db2.gz UFZQEHSFKZTEBK-UHFFFAOYSA-N 1 1 323.824 3.214 20 5 DGBDMO C[N@@H+]1C[C@H]2CCC[C@@H](C1)[C@@H]2Oc1cc(Cl)ccc1[N+](=O)[O-] ZINC001225712298 1096512072 /nfs/dbraw/zinc/51/20/72/1096512072.db2.gz FBGGCODPMNBIQN-QHBPRCKVSA-N 1 1 310.781 3.357 20 5 DGBDMO CC[N@H+]1CC[C@H](Oc2ccc([N+](=O)[O-])c(C(F)(F)F)c2)C1 ZINC001225918726 1096564518 /nfs/dbraw/zinc/56/45/18/1096564518.db2.gz LQEAJKKAFPIMRP-JTQLQIEISA-N 1 1 304.268 3.087 20 5 DGBDMO CC(=O)c1ccc(O[C@H]2CCC[N@H+](C(C)C)C2)c([N+](=O)[O-])c1 ZINC001226291506 1096654601 /nfs/dbraw/zinc/65/46/01/1096654601.db2.gz DRDPXZAXXAPABM-AWEZNQCLSA-N 1 1 306.362 3.049 20 5 DGBDMO C[N@H+]1CCC[C@H](Oc2cc(C(F)(F)F)ccc2[N+](=O)[O-])C1 ZINC001226301650 1096656371 /nfs/dbraw/zinc/65/63/71/1096656371.db2.gz NIWSTUPJXZXDGV-JTQLQIEISA-N 1 1 304.268 3.087 20 5 DGBDMO C[N@H+]1CCC[C@H](Oc2ccc([N+](=O)[O-])cc2C(F)(F)F)CC1 ZINC001226311759 1096659618 /nfs/dbraw/zinc/65/96/18/1096659618.db2.gz VNXNVZMCENACTM-NSHDSACASA-N 1 1 318.295 3.477 20 5 DGBDMO CC(C)[N@H+]1CC[C@@H](Oc2ccc([N+](=O)[O-])cc2C(F)(F)F)C1 ZINC001226311769 1096659707 /nfs/dbraw/zinc/65/97/07/1096659707.db2.gz WEEWKOLILBHDIK-LLVKDONJSA-N 1 1 318.295 3.475 20 5 DGBDMO C[N@@H+]1C[C@H]2CCC[C@@H](C1)[C@@H]2Oc1ccc([N+](=O)[O-])cc1Cl ZINC001226761566 1096770117 /nfs/dbraw/zinc/77/01/17/1096770117.db2.gz WZWKKPNAKQMIRA-QHBPRCKVSA-N 1 1 310.781 3.357 20 5 DGBDMO Cc1ccc(N2CCC[C@@H](Oc3ccc([N+](=O)[O-])cc3)C2)[nH+]c1 ZINC001227523981 1096943989 /nfs/dbraw/zinc/94/39/89/1096943989.db2.gz VDSRTDVILITSIS-MRXNPFEDSA-N 1 1 313.357 3.346 20 5 DGBDMO CC(=O)c1cc(C)cc([N+](=O)[O-])c1O[C@H]1CCC[N@H+](C(C)C)C1 ZINC001228450170 1097123584 /nfs/dbraw/zinc/12/35/84/1097123584.db2.gz IBONWFFNGVMSOC-AWEZNQCLSA-N 1 1 320.389 3.357 20 5 DGBDMO CC(=O)c1cccc([N+](=O)[O-])c1O[C@H]1CCC[N@H+](C(C)C)C1 ZINC001228969839 1097228990 /nfs/dbraw/zinc/22/89/90/1097228990.db2.gz BQIQGGODYNACIW-ZDUSSCGKSA-N 1 1 306.362 3.049 20 5 DGBDMO 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ZINC001173226468 1097374540 /nfs/dbraw/zinc/37/45/40/1097374540.db2.gz LXEREXDFRBEDBG-OAHLLOKOSA-N 1 1 314.385 3.020 20 5 DGBDMO C[C@H](Cc1ccc([N+](=O)[O-])cc1)[N@H+]1CC[C@@H]2OCCC[C@@H]2C1 ZINC001173228966 1097376187 /nfs/dbraw/zinc/37/61/87/1097376187.db2.gz OQRAQDGRXOXIIW-UNEWFSDZSA-N 1 1 304.390 3.027 20 5 DGBDMO CC[N@@H+](CCN1CCCCC1)[C@H](C)Cc1ccc([N+](=O)[O-])cc1 ZINC001173231348 1097377619 /nfs/dbraw/zinc/37/76/19/1097377619.db2.gz BQGGQFRNLOPQBD-MRXNPFEDSA-N 1 1 319.449 3.334 20 5 DGBDMO CCN(CC[NH+]1CCCCC1)[C@H](C)Cc1ccc([N+](=O)[O-])cc1 ZINC001173231348 1097377624 /nfs/dbraw/zinc/37/76/24/1097377624.db2.gz BQGGQFRNLOPQBD-MRXNPFEDSA-N 1 1 319.449 3.334 20 5 DGBDMO CC(C)(C)[NH+]1CC(Oc2cc([N+](=O)[O-])cc(C(F)(F)F)c2)C1 ZINC001229831037 1097394794 /nfs/dbraw/zinc/39/47/94/1097394794.db2.gz KDMXSVFVZCCBIW-UHFFFAOYSA-N 1 1 318.295 3.475 20 5 DGBDMO CC[N@H+]1CC[C@H](Oc2ccc([N+](=O)[O-])c(Cl)c2Cl)C1 ZINC001230041749 1097434916 /nfs/dbraw/zinc/43/49/16/1097434916.db2.gz RNWBTDLVYJRJNG-QMMMGPOBSA-N 1 1 305.161 3.375 20 5 DGBDMO CC[C@@H]1COCC[N@@H+]1Cc1ccc2ccc3cccnc3c2n1 ZINC001232223952 1097973459 /nfs/dbraw/zinc/97/34/59/1097973459.db2.gz WOZIOWYMFLEUGM-QGZVFWFLSA-N 1 1 307.397 3.394 20 5 DGBDMO CC[C@@H]1COCC[N@H+]1Cc1ccc2ccc3cccnc3c2n1 ZINC001232223952 1097973464 /nfs/dbraw/zinc/97/34/64/1097973464.db2.gz WOZIOWYMFLEUGM-QGZVFWFLSA-N 1 1 307.397 3.394 20 5 DGBDMO CC(C)[N@H+]1CCC[C@@H](Oc2ccc([N+](=O)[O-])c(F)c2F)C1 ZINC001233770866 1098428383 /nfs/dbraw/zinc/42/83/83/1098428383.db2.gz RJKKVAQAXCJXGO-SNVBAGLBSA-N 1 1 300.305 3.125 20 5 DGBDMO Cc1c(CNCC[N@H+]2CCCC(C)(C)C2)cccc1[N+](=O)[O-] ZINC001178581070 1098865460 /nfs/dbraw/zinc/86/54/60/1098865460.db2.gz DCPVHNGBTWMTJX-UHFFFAOYSA-N 1 1 305.422 3.115 20 5 DGBDMO Cc1c(CNCC[N@@H+]2CCCC(C)(C)C2)cccc1[N+](=O)[O-] ZINC001178581070 1098865454 /nfs/dbraw/zinc/86/54/54/1098865454.db2.gz DCPVHNGBTWMTJX-UHFFFAOYSA-N 1 1 305.422 3.115 20 5 DGBDMO CCC1(CC)CC[N@H+]([C@@H](C)C(=O)Nc2cccc([N+](=O)[O-])c2)C1 ZINC001191539169 1100480836 /nfs/dbraw/zinc/48/08/36/1100480836.db2.gz DRSHEBIPZRGLKP-ZDUSSCGKSA-N 1 1 319.405 3.434 20 5 DGBDMO C[C@@H](NCc1cccc([N+](=O)[O-])c1)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC001193251016 1100721651 /nfs/dbraw/zinc/72/16/51/1100721651.db2.gz SYXPGMGODIFBBJ-ZBFHGGJFSA-N 1 1 317.433 3.337 20 5 DGBDMO CCC[C@]1(COC)CCC[N@H+]1CCOc1ccc([N+](=O)[O-])cc1 ZINC001193871960 1100832954 /nfs/dbraw/zinc/83/29/54/1100832954.db2.gz LYLBJYXRYLONLT-QGZVFWFLSA-N 1 1 322.405 3.255 20 5 DGBDMO COc1cc([N+](=O)[O-])ccc1C[N@H+]1CCSC[C@H]1C1CCC1 ZINC001195316304 1101121699 /nfs/dbraw/zinc/12/16/99/1101121699.db2.gz ZPRHLJRTVXSYCJ-HNNXBMFYSA-N 1 1 322.430 3.321 20 5 DGBDMO C[C@@H]1COC2(CCCC2)C[N@H+]1CCOc1cccc([N+](=O)[O-])c1 ZINC001196403702 1101299593 /nfs/dbraw/zinc/29/95/93/1101299593.db2.gz ZPZMIPAYCGHUOU-CQSZACIVSA-N 1 1 320.389 3.007 20 5 DGBDMO O=[N+]([O-])c1ccc(C[N@H+]2CCCSC[C@@H]2C2CC2)c(F)c1 ZINC001198271107 1101813928 /nfs/dbraw/zinc/81/39/28/1101813928.db2.gz UFBOJUSPSWRROW-OAHLLOKOSA-N 1 1 310.394 3.451 20 5 DGBDMO O=[N+]([O-])c1ccc(Cl)cc1CN1CCCC2(CC[NH2+]CC2)C1 ZINC001326202324 1103232485 /nfs/dbraw/zinc/23/24/85/1103232485.db2.gz NZEHSFCTQKJFCQ-UHFFFAOYSA-N 1 1 323.824 3.214 20 5 DGBDMO O=[N+]([O-])c1ccc(CN2CCCC3(CC[NH2+]CC3)C2)cc1Cl ZINC001326236822 1103242171 /nfs/dbraw/zinc/24/21/71/1103242171.db2.gz QHDFKPIEJLZLTR-UHFFFAOYSA-N 1 1 323.824 3.214 20 5 DGBDMO CC(C)[C@]1(CO)CC[N@@H+](Cc2ccc([N+](=O)[O-])c(Cl)c2)C1 ZINC001327572112 1103684606 /nfs/dbraw/zinc/68/46/06/1103684606.db2.gz GVWHAOQOTNVGDZ-OAHLLOKOSA-N 1 1 312.797 3.089 20 5 DGBDMO Cc1nn(C[N@H+]2CCC[C@@H](CCF)C2)c2cc([N+](=O)[O-])ccc12 ZINC001330665897 1104611217 /nfs/dbraw/zinc/61/12/17/1104611217.db2.gz OINOZBAMMSFPJM-ZDUSSCGKSA-N 1 1 320.368 3.282 20 5 DGBDMO C[N@@H+](Cc1c2ccccc2cc2ccccc21)[C@@H]1CNC(=O)C1 ZINC001246856661 1104710140 /nfs/dbraw/zinc/71/01/40/1104710140.db2.gz CSARTZBRKREQHZ-INIZCTEOSA-N 1 1 304.393 3.313 20 5 DGBDMO CCC[C@@H](C[N@H+](C)Cc1cc([N+](=O)[O-])ccc1Cl)OC ZINC001308577475 1104807170 /nfs/dbraw/zinc/80/71/70/1104807170.db2.gz NSSKSVRNVLXKBQ-ZDUSSCGKSA-N 1 1 300.786 3.495 20 5 DGBDMO CCC[C@@H](C[N@@H+](C)Cc1cc([N+](=O)[O-])ccc1Cl)OC ZINC001308577475 1104807176 /nfs/dbraw/zinc/80/71/76/1104807176.db2.gz NSSKSVRNVLXKBQ-ZDUSSCGKSA-N 1 1 300.786 3.495 20 5 DGBDMO [NH3+][C@H](c1nc(-c2ccc3ccc4cccnc4c3n2)no1)C1CC1 ZINC001249229364 1105251229 /nfs/dbraw/zinc/25/12/29/1105251229.db2.gz GQTVBWGMAPTRFU-AWEZNQCLSA-N 1 1 317.352 3.243 20 5 DGBDMO C[NH+](C)Cc1ccc2nc(-c3cccc([N+](=O)[O-])c3F)[nH]c2c1 ZINC001250852613 1105594097 /nfs/dbraw/zinc/59/40/97/1105594097.db2.gz CTRZFAIWFXGIFS-UHFFFAOYSA-N 1 1 314.320 3.339 20 5 DGBDMO CS[C@@H]1CC[C@H]([N@@H+](C)CCOc2ccccc2[N+](=O)[O-])C1 ZINC001252286085 1105762441 /nfs/dbraw/zinc/76/24/41/1105762441.db2.gz BYIBKMSXFNKEEK-QWHCGFSZSA-N 1 1 310.419 3.190 20 5 DGBDMO C[C@H](Cc1ccccc1[N+](=O)[O-])[N@H+]1CC[C@@H](c2cccnc2)C1 ZINC001254562617 1106104127 /nfs/dbraw/zinc/10/41/27/1106104127.db2.gz ODXAFRCICYBSHR-RHSMWYFYSA-N 1 1 311.385 3.410 20 5 DGBDMO CCCC[N@H+](CC(=O)OCC)[C@@H](C)Cc1ccccc1[N+](=O)[O-] ZINC001254563871 1106104504 /nfs/dbraw/zinc/10/45/04/1106104504.db2.gz FOPOJPNAEMTLQI-AWEZNQCLSA-N 1 1 322.405 3.191 20 5 DGBDMO CCCC[N@@H+](CC(=O)OCC)[C@@H](C)Cc1ccccc1[N+](=O)[O-] ZINC001254563871 1106104505 /nfs/dbraw/zinc/10/45/05/1106104505.db2.gz FOPOJPNAEMTLQI-AWEZNQCLSA-N 1 1 322.405 3.191 20 5 DGBDMO O=[N+]([O-])c1ccc2c(c1)C[C@H]([N@@H+]1C[C@@H]3CC(F)(F)C[C@@H]3C1)C2 ZINC001254593968 1106110001 /nfs/dbraw/zinc/11/00/01/1106110001.db2.gz OLIZCBKGDXXTHZ-VNHYZAJKSA-N 1 1 308.328 3.039 20 5 DGBDMO O=[N+]([O-])c1ccc2c(c1)C[C@@H]([N@@H+]1CCO[C@H](c3ccccc3)C1)C2 ZINC001254600502 1106110551 /nfs/dbraw/zinc/11/05/51/1106110551.db2.gz QEYDPQCCPXGARO-OALUTQOASA-N 1 1 324.380 3.136 20 5 DGBDMO O=[N+]([O-])c1ccc2c(c1)C[C@@H]([N@H+]1CCO[C@H](c3ccccc3)C1)C2 ZINC001254600502 1106110555 /nfs/dbraw/zinc/11/05/55/1106110555.db2.gz QEYDPQCCPXGARO-OALUTQOASA-N 1 1 324.380 3.136 20 5 DGBDMO C[N@@H+](Cc1ccccc1F)[C@H]1Cc2ccc([N+](=O)[O-])cc2C1 ZINC001254598643 1106110581 /nfs/dbraw/zinc/11/05/81/1106110581.db2.gz IUVGYRCHDMBKIZ-INIZCTEOSA-N 1 1 300.333 3.333 20 5 DGBDMO O=[N+]([O-])c1ccc2c(c1)C[C@H]([N@H+]1CC[C@@H](Oc3ccccc3)C1)C2 ZINC001254600352 1106110627 /nfs/dbraw/zinc/11/06/27/1106110627.db2.gz PCRDERPFPFLKNI-IEBWSBKVSA-N 1 1 324.380 3.215 20 5 DGBDMO O=[N+]([O-])c1ccc2c(c1)C[C@@H]([N@H+]1CC[C@H](Oc3ccccc3)C1)C2 ZINC001254600351 1106110746 /nfs/dbraw/zinc/11/07/46/1106110746.db2.gz PCRDERPFPFLKNI-HKUYNNGSSA-N 1 1 324.380 3.215 20 5 DGBDMO O=[N+]([O-])c1ccc2c(c1)C[C@H]([N@@H+]1CCO[C@H](c3ccccc3)C1)C2 ZINC001254600500 1106110895 /nfs/dbraw/zinc/11/08/95/1106110895.db2.gz QEYDPQCCPXGARO-MOPGFXCFSA-N 1 1 324.380 3.136 20 5 DGBDMO O=[N+]([O-])c1ccc2c(c1)C[C@H]([N@H+]1CCO[C@H](c3ccccc3)C1)C2 ZINC001254600500 1106110897 /nfs/dbraw/zinc/11/08/97/1106110897.db2.gz QEYDPQCCPXGARO-MOPGFXCFSA-N 1 1 324.380 3.136 20 5 DGBDMO Cc1cccc2c1CC[N@H+]([C@H]1Cc3ccc([N+](=O)[O-])cc3C1)C2 ZINC001254599674 1106110912 /nfs/dbraw/zinc/11/09/12/1106110912.db2.gz OHNSFOAMOXYKIN-SFHVURJKSA-N 1 1 308.381 3.429 20 5 DGBDMO COc1ccc2c(c1)C[N@@H+]([C@@H]1Cc3ccc([N+](=O)[O-])cc3C1)C2 ZINC001254602283 1106111646 /nfs/dbraw/zinc/11/16/46/1106111646.db2.gz CMJBNJYVMMGFOX-QGZVFWFLSA-N 1 1 310.353 3.086 20 5 DGBDMO O=[N+]([O-])c1ccc2c(c1)C[C@@H]([N@H+]1CCC[C@@H](C(F)(F)F)C1)C2 ZINC001254600934 1106111756 /nfs/dbraw/zinc/11/17/56/1106111756.db2.gz SLYKOYBLSGMRIW-OCCSQVGLSA-N 1 1 314.307 3.336 20 5 DGBDMO CC[N@@H+]1CCC[C@@H](CN[C@@H]2CCCc3ccc([N+](=O)[O-])cc32)C1 ZINC001320881460 1107175257 /nfs/dbraw/zinc/17/52/57/1107175257.db2.gz WJXJSWDHYMZTAP-KBXCAEBGSA-N 1 1 317.433 3.294 20 5 DGBDMO CC[N@H+]1CCC[C@@H](CN[C@@H]2CCCc3ccc([N+](=O)[O-])cc32)C1 ZINC001320881460 1107175263 /nfs/dbraw/zinc/17/52/63/1107175263.db2.gz WJXJSWDHYMZTAP-KBXCAEBGSA-N 1 1 317.433 3.294 20 5 DGBDMO CCCC[N@@H+](C)CCNc1ccc2cnccc2c1[N+](=O)[O-] ZINC001306962423 1111255477 /nfs/dbraw/zinc/25/54/77/1111255477.db2.gz FBMBNAYEGABYCN-UHFFFAOYSA-N 1 1 302.378 3.287 20 5 DGBDMO O=[N+]([O-])c1cccc(F)c1N[C@@H]1CC[N@@H+](CC2CCCC2)C1 ZINC001306981802 1111257552 /nfs/dbraw/zinc/25/75/52/1111257552.db2.gz JJAKUUGVAMSROH-CYBMUJFWSA-N 1 1 307.369 3.410 20 5 DGBDMO CCC[C@@H]1CCC[N@H+]([C@@H](C)C(=O)Nc2cccc([N+](=O)[O-])c2)C1 ZINC001307562893 1111314690 /nfs/dbraw/zinc/31/46/90/1111314690.db2.gz HZOCECXLTPJLTO-UONOGXRCSA-N 1 1 319.405 3.434 20 5 DGBDMO C[C@@H]1C[N@@H+](CCOc2ccc([N+](=O)[O-])cc2)[C@H]2CCCC[C@H]12 ZINC001307603816 1111318935 /nfs/dbraw/zinc/31/89/35/1111318935.db2.gz PXCLJRLTXGGVJM-XYPHTWIQSA-N 1 1 304.390 3.484 20 5 DGBDMO Cc1ncc([N+](=O)[O-])n1CC[N@H+](C)[C@H]1CCC[C@@H]1C(C)(C)C ZINC001307854822 1111347176 /nfs/dbraw/zinc/34/71/76/1111347176.db2.gz XAQWWPVRLQWGDZ-KBPBESRZSA-N 1 1 308.426 3.246 20 5 DGBDMO CC[C@@H]1CO[C@@H](CC)C[N@H+]1CCCOc1ccc([N+](=O)[O-])cc1 ZINC001307908523 1111354287 /nfs/dbraw/zinc/35/42/87/1111354287.db2.gz QMQFDEWZDDLTRF-ZBFHGGJFSA-N 1 1 322.405 3.253 20 5 DGBDMO CC[C@@H]1CC[C@@H](C)[N@@H+](Cc2cc(C(=O)OC)ccc2[N+](=O)[O-])C1 ZINC001307937070 1111358381 /nfs/dbraw/zinc/35/83/81/1111358381.db2.gz IXZKGYHRAAVRGO-CHWSQXEVSA-N 1 1 320.389 3.392 20 5 DGBDMO Cc1ccc([N+](=O)[O-])c(C)c1CNC[C@@H](C)[N@@H+]1CCC[C@H](C)C1 ZINC001308200031 1111396164 /nfs/dbraw/zinc/39/61/64/1111396164.db2.gz RVKGOXVXXMWGKL-DZGCQCFKSA-N 1 1 319.449 3.422 20 5 DGBDMO Cc1ccc([N+](=O)[O-])c(C)c1CNC[C@@H](C)[N@H+]1CCC[C@H](C)C1 ZINC001308200031 1111396167 /nfs/dbraw/zinc/39/61/67/1111396167.db2.gz RVKGOXVXXMWGKL-DZGCQCFKSA-N 1 1 319.449 3.422 20 5 DGBDMO Cc1ccc([N+](=O)[O-])c(C)c1CNC[C@H](C)[N@@H+]1CCC[C@@H](C)C1 ZINC001308200033 1111396607 /nfs/dbraw/zinc/39/66/07/1111396607.db2.gz RVKGOXVXXMWGKL-HIFRSBDPSA-N 1 1 319.449 3.422 20 5 DGBDMO Cc1ccc([N+](=O)[O-])c(C)c1CNC[C@H](C)[N@H+]1CCC[C@@H](C)C1 ZINC001308200033 1111396610 /nfs/dbraw/zinc/39/66/10/1111396610.db2.gz RVKGOXVXXMWGKL-HIFRSBDPSA-N 1 1 319.449 3.422 20 5 DGBDMO CCC(CC)[N@@H+](Cc1ccc(O)c(OC)c1[N+](=O)[O-])C1CC1 ZINC001308611448 1111451187 /nfs/dbraw/zinc/45/11/87/1111451187.db2.gz IDTBDHVPDDJPPY-UHFFFAOYSA-N 1 1 308.378 3.462 20 5 DGBDMO C[C@@H]1[C@@H](Nc2ncccc2[N+](=O)[O-])CC[N@H+]1Cc1ccccc1 ZINC000309927018 231108425 /nfs/dbraw/zinc/10/84/25/231108425.db2.gz XQALUTNZAQIOQO-HIFRSBDPSA-N 1 1 312.373 3.065 20 5 DGBDMO C[C@H]1C[C@H](Nc2ccnc3c2cccc3[N+](=O)[O-])CC[N@H+]1C ZINC000317733366 231164429 /nfs/dbraw/zinc/16/44/29/231164429.db2.gz ROOXVVUISKUKLG-NWDGAFQWSA-N 1 1 300.362 3.038 20 5 DGBDMO O=[N+]([O-])c1cc(Cl)ccc1C[N@@H+]1CCC[C@@H]1[C@@H]1CCC[C@@H]1O ZINC000318512326 231171621 /nfs/dbraw/zinc/17/16/21/231171621.db2.gz YHJZKVSZDFBIDP-LZWOXQAQSA-N 1 1 324.808 3.374 20 5 DGBDMO Cc1cc(C[C@H](C)[NH2+][C@@H](C)c2ccc(C)c([N+](=O)[O-])c2)n[nH]1 ZINC000090528882 185300773 /nfs/dbraw/zinc/30/07/73/185300773.db2.gz GXUGIYIDQANVAK-AAEUAGOBSA-N 1 1 302.378 3.217 20 5 DGBDMO COc1ccc(C[N@H+](C)Cc2ccc(C)c([N+](=O)[O-])c2)cc1O ZINC000092404921 185316410 /nfs/dbraw/zinc/31/64/10/185316410.db2.gz FPDVMVIMDOGVSC-UHFFFAOYSA-N 1 1 316.357 3.249 20 5 DGBDMO COc1ccc(C[N@@H+](C)Cc2ccc(C)c([N+](=O)[O-])c2)cc1O ZINC000092404921 185316411 /nfs/dbraw/zinc/31/64/11/185316411.db2.gz FPDVMVIMDOGVSC-UHFFFAOYSA-N 1 1 316.357 3.249 20 5 DGBDMO COCC[N@H+](Cc1ccco1)Cc1ccc(C)c([N+](=O)[O-])c1 ZINC000092561879 185325889 /nfs/dbraw/zinc/32/58/89/185325889.db2.gz OEVBHCPOKFLQQO-UHFFFAOYSA-N 1 1 304.346 3.145 20 5 DGBDMO COCC[N@@H+](Cc1ccco1)Cc1ccc(C)c([N+](=O)[O-])c1 ZINC000092561879 185325890 /nfs/dbraw/zinc/32/58/90/185325890.db2.gz OEVBHCPOKFLQQO-UHFFFAOYSA-N 1 1 304.346 3.145 20 5 DGBDMO CC[C@@H]([NH2+][C@@H](C)Cc1cc(C)[nH]n1)c1cccc([N+](=O)[O-])c1 ZINC000181427846 199295439 /nfs/dbraw/zinc/29/54/39/199295439.db2.gz LSGGKXQQZHEXIV-MEDUHNTESA-N 1 1 302.378 3.298 20 5 DGBDMO CC[C@H]([NH2+][C@H](C)Cc1cc(C)[nH]n1)c1cccc([N+](=O)[O-])c1 ZINC000181427864 199295899 /nfs/dbraw/zinc/29/58/99/199295899.db2.gz LSGGKXQQZHEXIV-BZNIZROVSA-N 1 1 302.378 3.298 20 5 DGBDMO CCc1nc(C)c(C[N@@H+](C)CCc2cccc([N+](=O)[O-])c2)o1 ZINC000428939622 529721646 /nfs/dbraw/zinc/72/16/46/529721646.db2.gz NFRRPQGGPFRNEJ-UHFFFAOYSA-N 1 1 303.362 3.128 20 5 DGBDMO CCc1ccc([C@H]([NH2+]C[C@H](C)OC)c2ccc([N+](=O)[O-])cc2)o1 ZINC000443194978 529726398 /nfs/dbraw/zinc/72/63/98/529726398.db2.gz QFMAOOUGLYBZLX-YVEFUNNKSA-N 1 1 318.373 3.464 20 5 DGBDMO CN(Cc1ccc([N+](=O)[O-])cc1Cl)CC1CC[NH+](C)CC1 ZINC000272793194 210197082 /nfs/dbraw/zinc/19/70/82/210197082.db2.gz JRLQHCVYYZXNJE-UHFFFAOYSA-N 1 1 311.813 3.022 20 5 DGBDMO C[N@@H+](CCNc1ccc2ncccc2c1[N+](=O)[O-])C1CCCC1 ZINC000321395073 529918253 /nfs/dbraw/zinc/91/82/53/529918253.db2.gz PCMSOBYZXSNIAH-UHFFFAOYSA-N 1 1 314.389 3.429 20 5 DGBDMO C[N@@H+](CCNc1ccc([N+](=O)[O-])c2cccnc12)C1CCCC1 ZINC000301191653 529918291 /nfs/dbraw/zinc/91/82/91/529918291.db2.gz LZFQIHBNLZNBAG-UHFFFAOYSA-N 1 1 314.389 3.429 20 5 DGBDMO CC1(C)C[N@H+](Cc2nc3cc([N+](=O)[O-])ccc3o2)CCS1 ZINC000083418452 192370931 /nfs/dbraw/zinc/37/09/31/192370931.db2.gz RFTWHQJPJCVPCP-UHFFFAOYSA-N 1 1 307.375 3.063 20 5 DGBDMO CC1(C)C[N@@H+](Cc2nc3cc([N+](=O)[O-])ccc3o2)CCS1 ZINC000083418452 192370933 /nfs/dbraw/zinc/37/09/33/192370933.db2.gz RFTWHQJPJCVPCP-UHFFFAOYSA-N 1 1 307.375 3.063 20 5 DGBDMO C[N@H+]1CCC[C@@H]1CCN(Cc1ccccc1[N+](=O)[O-])C1CC1 ZINC000130307492 432020616 /nfs/dbraw/zinc/02/06/16/432020616.db2.gz QGJXYQFLICQJAN-OAHLLOKOSA-N 1 1 303.406 3.044 20 5 DGBDMO C[C@@H](O)C[C@@H]1CCCC[N@H+]1Cc1ccc(Cl)c([N+](=O)[O-])c1 ZINC000279818884 215172100 /nfs/dbraw/zinc/17/21/00/215172100.db2.gz QIZAQWPDDDJZOW-YPMHNXCESA-N 1 1 312.797 3.374 20 5 DGBDMO Cc1c(NC(=O)CC[N@H+](C)C2CCCC2)cccc1[N+](=O)[O-] ZINC000150322618 186056519 /nfs/dbraw/zinc/05/65/19/186056519.db2.gz VLTFOUYHYNWVJM-UHFFFAOYSA-N 1 1 305.378 3.106 20 5 DGBDMO Cc1c([C@@H](C)NC[C@H]2CC[N@@H+](C3CC3)C2)cccc1[N+](=O)[O-] ZINC000152427953 186071921 /nfs/dbraw/zinc/07/19/21/186071921.db2.gz CRBMGMQMYRQPCZ-ZIAGYGMSSA-N 1 1 303.406 3.038 20 5 DGBDMO Cc1c([C@@H](C)NC[C@H]2CC[N@H+](C3CC3)C2)cccc1[N+](=O)[O-] ZINC000152427953 186071923 /nfs/dbraw/zinc/07/19/23/186071923.db2.gz CRBMGMQMYRQPCZ-ZIAGYGMSSA-N 1 1 303.406 3.038 20 5 DGBDMO Cc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@@H+]1[C@H](C)CCC[C@@H]1C ZINC000072697450 191215330 /nfs/dbraw/zinc/21/53/30/191215330.db2.gz JDZYKEDQMQIWOV-OKILXGFUSA-N 1 1 319.405 3.495 20 5 DGBDMO C[C@@H]1CCC[N@H+]1CCc1ncc(-c2cccc([N+](=O)[O-])c2)o1 ZINC000072875543 191247067 /nfs/dbraw/zinc/24/70/67/191247067.db2.gz VRDWPPJOETVPFS-GFCCVEGCSA-N 1 1 301.346 3.277 20 5 DGBDMO C[C@H]1C[C@H](c2cccc(F)c2)[N@@H+](CCn2cc([N+](=O)[O-])cn2)C1 ZINC000174877109 198396170 /nfs/dbraw/zinc/39/61/70/198396170.db2.gz XNMXXSRCNWWPPL-BLLLJJGKSA-N 1 1 318.352 3.014 20 5 DGBDMO CCCC[N@@H+](CC)[C@@H](C)C(=O)Nc1ccc(OC)cc1[N+](=O)[O-] ZINC000131882162 432041170 /nfs/dbraw/zinc/04/11/70/432041170.db2.gz GRJYBOOIRCZTHN-LBPRGKRZSA-N 1 1 323.393 3.052 20 5 DGBDMO O=[N+]([O-])c1cccc(OCC[N@H+]2CCc3ccsc3C2)c1 ZINC000132912779 432055253 /nfs/dbraw/zinc/05/52/53/432055253.db2.gz PCCMZPNFOWBUJI-UHFFFAOYSA-N 1 1 304.371 3.093 20 5 DGBDMO Cc1c([C@H](C)NCC[N@@H+](C)C2CCCC2)cccc1[N+](=O)[O-] ZINC000133252971 432058966 /nfs/dbraw/zinc/05/89/66/432058966.db2.gz YVRDYOJYBWKXFO-AWEZNQCLSA-N 1 1 305.422 3.428 20 5 DGBDMO Cc1c([C@H](C)[NH2+]CCN(C)C2CCCC2)cccc1[N+](=O)[O-] ZINC000133252971 432058968 /nfs/dbraw/zinc/05/89/68/432058968.db2.gz YVRDYOJYBWKXFO-AWEZNQCLSA-N 1 1 305.422 3.428 20 5 DGBDMO Cc1c(NC(=O)CC[N@@H+]2CCCC[C@@H](C)C2)cccc1[N+](=O)[O-] ZINC000187970924 200184754 /nfs/dbraw/zinc/18/47/54/200184754.db2.gz JWSGAIQGGJDRIG-CYBMUJFWSA-N 1 1 319.405 3.354 20 5 DGBDMO COc1ncccc1C[NH2+]C(C)(C)c1ccccc1[N+](=O)[O-] ZINC000429234019 238044519 /nfs/dbraw/zinc/04/45/19/238044519.db2.gz FZLYDEFZSRJXEG-UHFFFAOYSA-N 1 1 301.346 3.023 20 5 DGBDMO C[C@H]1CC[C@@H]([N@@H+](C)Cc2nc(-c3ccc([N+](=O)[O-])cc3)no2)C1 ZINC000429566447 238055133 /nfs/dbraw/zinc/05/51/33/238055133.db2.gz KBARANWAAIHXLO-SMDDNHRTSA-N 1 1 316.361 3.265 20 5 DGBDMO O=[N+]([O-])c1cnc(NC[C@@H]2CCCC[N@H+]2C2CC2)c(Cl)c1 ZINC000433809930 238169225 /nfs/dbraw/zinc/16/92/25/238169225.db2.gz XJJQEFGBUZVQHZ-NSHDSACASA-N 1 1 310.785 3.072 20 5 DGBDMO CCOc1ccc([C@@H](C)NCC2([NH+](C)C)CCC2)cc1[N+](=O)[O-] ZINC000275789276 212536949 /nfs/dbraw/zinc/53/69/49/212536949.db2.gz WWTKGZUMZXGSMY-CYBMUJFWSA-N 1 1 321.421 3.128 20 5 DGBDMO Cc1nn(C)cc1C[N@H+]1CCC[C@H](c2ccc([N+](=O)[O-])cc2)C1 ZINC000449498486 240248855 /nfs/dbraw/zinc/24/88/55/240248855.db2.gz KSQWWMGSDAYKLY-HNNXBMFYSA-N 1 1 314.389 3.016 20 5 DGBDMO CCn1ccnc1C[N@@H+]1CCC[C@@H](c2ccc([N+](=O)[O-])cc2)C1 ZINC000449502646 240249738 /nfs/dbraw/zinc/24/97/38/240249738.db2.gz RRPXVZCLVXXORV-OAHLLOKOSA-N 1 1 314.389 3.191 20 5 DGBDMO CCn1ccnc1C[N@H+]1CCC[C@@H](c2ccc([N+](=O)[O-])cc2)C1 ZINC000449502646 240249744 /nfs/dbraw/zinc/24/97/44/240249744.db2.gz RRPXVZCLVXXORV-OAHLLOKOSA-N 1 1 314.389 3.191 20 5 DGBDMO Cc1ccncc1C[NH2+]Cc1cc([N+](=O)[O-])ccc1OC(F)F ZINC000449524541 240265328 /nfs/dbraw/zinc/26/53/28/240265328.db2.gz ONQCADLAJNFKRR-UHFFFAOYSA-N 1 1 323.299 3.189 20 5 DGBDMO COc1ccc(C[N@H+]2C[C@H](C3CC3)[C@H]2C2CC2)cc1[N+](=O)[O-] ZINC000449534211 240271274 /nfs/dbraw/zinc/27/12/74/240271274.db2.gz GIFOKSZJRLONCI-RHSMWYFYSA-N 1 1 302.374 3.224 20 5 DGBDMO COc1ccc(C[N@H+]2C[C@H](C3CC3)[C@@H]2C2CC2)cc1[N+](=O)[O-] ZINC000449534202 240272186 /nfs/dbraw/zinc/27/21/86/240272186.db2.gz GIFOKSZJRLONCI-PBHICJAKSA-N 1 1 302.374 3.224 20 5 DGBDMO CC[C@H]1CC[N@H+]([C@H](C)c2nnc(-c3ccc([N+](=O)[O-])cc3)o2)C1 ZINC000246195345 432105391 /nfs/dbraw/zinc/10/53/91/432105391.db2.gz IJGKRKSWKLOIMW-NEPJUHHUSA-N 1 1 316.361 3.438 20 5 DGBDMO CC(C)[N@@H+](C)CCNC(=O)c1cc2ccccc2c2cccnc12 ZINC000171138175 432106900 /nfs/dbraw/zinc/10/69/00/432106900.db2.gz VDHPJTZKYFHFRF-UHFFFAOYSA-N 1 1 321.424 3.458 20 5 DGBDMO C[C@H](c1ccncc1)[N@@H+](C)CCOc1ccc([N+](=O)[O-])cc1 ZINC000091989040 193138649 /nfs/dbraw/zinc/13/86/49/193138649.db2.gz SDNZFEHKURQMGE-CYBMUJFWSA-N 1 1 301.346 3.062 20 5 DGBDMO CCO[C@@H]1CC[N@H+](Cc2c(Cl)cccc2[N+](=O)[O-])C[C@@H]1C ZINC000451536780 241162279 /nfs/dbraw/zinc/16/22/79/241162279.db2.gz IALDEXFSWUDLAX-XHDPSFHLSA-N 1 1 312.797 3.495 20 5 DGBDMO CCO[C@@H]1CC[N@@H+](Cc2c(Cl)cccc2[N+](=O)[O-])C[C@@H]1C ZINC000451536780 241162286 /nfs/dbraw/zinc/16/22/86/241162286.db2.gz IALDEXFSWUDLAX-XHDPSFHLSA-N 1 1 312.797 3.495 20 5 DGBDMO O=[N+]([O-])c1ccc([C@@H]2CCC[N@@H+](CCCn3ccnc3)C2)cc1 ZINC000451545538 241167221 /nfs/dbraw/zinc/16/72/21/241167221.db2.gz HPXKXLADJFFLNP-MRXNPFEDSA-N 1 1 314.389 3.061 20 5 DGBDMO CCOc1cc(C[N@@H+]2CC[C@@H](OCC)[C@@H](C)C2)ccc1[N+](=O)[O-] ZINC000451548637 241169290 /nfs/dbraw/zinc/16/92/90/241169290.db2.gz VFTKKXPMJLOOCL-XJKSGUPXSA-N 1 1 322.405 3.240 20 5 DGBDMO CCOc1cc(C[N@@H+](C)[C@@H](CO)CC(C)(C)C)ccc1[N+](=O)[O-] ZINC000451789600 241236316 /nfs/dbraw/zinc/23/63/16/241236316.db2.gz MNTFCVIHIYKXMK-CQSZACIVSA-N 1 1 324.421 3.222 20 5 DGBDMO Cc1cccc([N+](=O)[O-])c1NC(=O)C[N@H+]1[C@H](C)CCC1(C)C ZINC000452020455 241299355 /nfs/dbraw/zinc/29/93/55/241299355.db2.gz ZUXSOQSOZBUOEW-GFCCVEGCSA-N 1 1 305.378 3.105 20 5 DGBDMO CC[C@H](c1ccncc1)[N@@H+](C)C[C@H](O)c1cccc([N+](=O)[O-])c1 ZINC000092224475 193176580 /nfs/dbraw/zinc/17/65/80/193176580.db2.gz ZVRZUDIPJMNDNN-SJORKVTESA-N 1 1 315.373 3.106 20 5 DGBDMO Cc1ccc([N+](=O)[O-])cc1NC(=O)C[N@H+](C(C)C)C1CCCC1 ZINC000108365386 284060122 /nfs/dbraw/zinc/06/01/22/284060122.db2.gz IYKVDPNEOKVKEY-UHFFFAOYSA-N 1 1 319.405 3.495 20 5 DGBDMO CC[N@H+](CC(=O)Nc1ccc(Cl)cc1[N+](=O)[O-])CC(C)C ZINC000114725354 284110600 /nfs/dbraw/zinc/11/06/00/284110600.db2.gz LXWAQUAPEFJQNO-UHFFFAOYSA-N 1 1 313.785 3.165 20 5 DGBDMO CC[C@@H]1CO[C@@H](C)C[N@@H+]1C/C(C)=C\c1cccc([N+](=O)[O-])c1 ZINC000470174827 244152660 /nfs/dbraw/zinc/15/26/60/244152660.db2.gz WHJCAXIEPWUWJZ-AFYSSFTJSA-N 1 1 304.390 3.497 20 5 DGBDMO CC[C@@H]1CO[C@@H](C)C[N@H+]1C/C(C)=C\c1cccc([N+](=O)[O-])c1 ZINC000470174827 244152667 /nfs/dbraw/zinc/15/26/67/244152667.db2.gz WHJCAXIEPWUWJZ-AFYSSFTJSA-N 1 1 304.390 3.497 20 5 DGBDMO CN(CC[N@@H+](C)C1CC1)c1ccc([N+](=O)[O-])c(OC(C)(C)C)c1 ZINC000472679903 244312654 /nfs/dbraw/zinc/31/26/54/244312654.db2.gz WMDIVNAPTOODNZ-UHFFFAOYSA-N 1 1 321.421 3.303 20 5 DGBDMO CC(C)c1ccc(C[N@@H+](CCCCO)C2CC2)cc1[N+](=O)[O-] ZINC000093383197 193240636 /nfs/dbraw/zinc/24/06/36/193240636.db2.gz KDQSKBBLPGTNCA-UHFFFAOYSA-N 1 1 306.406 3.455 20 5 DGBDMO CC(C)[C@@H](C[NH2+][C@H](C)c1ccc([N+](=O)[O-])cc1)N1CCCC1 ZINC000122146750 284214014 /nfs/dbraw/zinc/21/40/14/284214014.db2.gz RFAIQIICTUQSQE-RHSMWYFYSA-N 1 1 305.422 3.366 20 5 DGBDMO CCC(C)(C)[N@@H+](C)CCC(=O)Nc1ccc([N+](=O)[O-])cc1C ZINC000265038031 204357976 /nfs/dbraw/zinc/35/79/76/204357976.db2.gz MIWXNTMGWPDRKM-UHFFFAOYSA-N 1 1 307.394 3.352 20 5 DGBDMO Cc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@H+](C)[C@@H](C)C1(C)CC1 ZINC000267698051 206225759 /nfs/dbraw/zinc/22/57/59/206225759.db2.gz INEDNKZWEJWPTL-ZDUSSCGKSA-N 1 1 319.405 3.352 20 5 DGBDMO Cc1c(NC(=O)CC[N@H+](C)[C@H](C)C2(C)CC2)cccc1[N+](=O)[O-] ZINC000267798263 206288581 /nfs/dbraw/zinc/28/85/81/206288581.db2.gz XOQLLPKVZWHUDU-CYBMUJFWSA-N 1 1 319.405 3.352 20 5 DGBDMO C[C@@H](c1ccccc1[N+](=O)[O-])N1CC[N@H+](C2CCC2)C[C@H](C)C1 ZINC000429363333 296240513 /nfs/dbraw/zinc/24/05/13/296240513.db2.gz COZDRVQJQRWBAE-CABCVRRESA-N 1 1 317.433 3.462 20 5 DGBDMO CC[N@@H+](Cc1cc([N+](=O)[O-])ccc1OC(C)C)C[C@@H]1CCCO1 ZINC000104949505 194056934 /nfs/dbraw/zinc/05/69/34/194056934.db2.gz MKCQWWRDDDALJN-INIZCTEOSA-N 1 1 322.405 3.383 20 5 DGBDMO CC[N@H+](Cc1cc([N+](=O)[O-])ccc1OC(C)C)C[C@@H]1CCCO1 ZINC000104949505 194056936 /nfs/dbraw/zinc/05/69/36/194056936.db2.gz MKCQWWRDDDALJN-INIZCTEOSA-N 1 1 322.405 3.383 20 5 DGBDMO Cc1cc(C)n(CC[N@@H+](Cc2cccc([N+](=O)[O-])c2)C2CC2)n1 ZINC000269072159 207219788 /nfs/dbraw/zinc/21/97/88/207219788.db2.gz AQHKBNRFPFZXHL-UHFFFAOYSA-N 1 1 314.389 3.073 20 5 DGBDMO COc1ccc(C[N@@H+](C)CCOc2ccc([N+](=O)[O-])cc2)cc1 ZINC000065208549 184314523 /nfs/dbraw/zinc/31/45/23/184314523.db2.gz MCQZDXUTMWLSJW-UHFFFAOYSA-N 1 1 316.357 3.114 20 5 DGBDMO Cc1cc([N+](=O)[O-])cnc1N[C@H](C)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC000272656206 252834322 /nfs/dbraw/zinc/83/43/22/252834322.db2.gz BFZYOTDAKKKGET-ZIAGYGMSSA-N 1 1 318.421 3.363 20 5 DGBDMO C[C@@H]1CC[N@@H+](CCC(=O)Nc2ccccc2[N+](=O)[O-])C[C@@H](C)C1 ZINC000337318904 253086072 /nfs/dbraw/zinc/08/60/72/253086072.db2.gz NFVPUDKIDQTHEK-KGLIPLIRSA-N 1 1 319.405 3.291 20 5 DGBDMO CC[C@H]1C[C@]1([NH2+]Cc1c([N+](=O)[O-])ncn1C)c1cccc(C)c1 ZINC000337425964 253114128 /nfs/dbraw/zinc/11/41/28/253114128.db2.gz SLPDIAQJIAZWGS-SUMWQHHRSA-N 1 1 314.389 3.052 20 5 DGBDMO CC1(C)CCCC[N@@H+](CCC(=O)Nc2ccccc2[N+](=O)[O-])C1 ZINC000337456267 253118941 /nfs/dbraw/zinc/11/89/41/253118941.db2.gz HXYYTEAKIUMKGT-UHFFFAOYSA-N 1 1 319.405 3.436 20 5 DGBDMO C[C@@H]1CC[C@H]([N@@H+](C)CCC(=O)Nc2ccccc2[N+](=O)[O-])C1 ZINC000337456829 253118997 /nfs/dbraw/zinc/11/89/97/253118997.db2.gz ICXKFMBXCKOGMI-OLZOCXBDSA-N 1 1 305.378 3.044 20 5 DGBDMO C[C@H]1CC[C@H]([N@@H+](C)CCC(=O)Nc2ccccc2[N+](=O)[O-])C1 ZINC000337456833 253119404 /nfs/dbraw/zinc/11/94/04/253119404.db2.gz ICXKFMBXCKOGMI-STQMWFEESA-N 1 1 305.378 3.044 20 5 DGBDMO O=[N+]([O-])c1ccc(C[N@H+]2CC3(CCC3)[C@@H]2[C@@H]2CCCO2)cc1 ZINC000289636290 285111834 /nfs/dbraw/zinc/11/18/34/285111834.db2.gz SFXWVVUXBBZFKH-HOTGVXAUSA-N 1 1 302.374 3.128 20 5 DGBDMO C[C@]1(CCCO)CCC[N@H+]1Cc1ccc([N+](=O)[O-])cc1Cl ZINC000272963848 210349924 /nfs/dbraw/zinc/34/99/24/210349924.db2.gz NYQWHVIBXLIJRA-OAHLLOKOSA-N 1 1 312.797 3.375 20 5 DGBDMO CSCC[N@@H+](C)Cc1cc([N+](=O)[O-])ccc1C(F)(F)F ZINC000339026203 253392273 /nfs/dbraw/zinc/39/22/73/253392273.db2.gz XFGYHBVLNBGXRM-UHFFFAOYSA-N 1 1 308.325 3.408 20 5 DGBDMO O=[N+]([O-])c1ccc2c(c1)C[N@@H+](C[C@@H]1CCC(F)(F)C1)CCO2 ZINC000451048116 285142160 /nfs/dbraw/zinc/14/21/60/285142160.db2.gz JQCQNTIEKQRDQX-LLVKDONJSA-N 1 1 312.316 3.225 20 5 DGBDMO O=[N+]([O-])c1ccc2c(c1)C[N@H+](C[C@@H]1CCC(F)(F)C1)CCO2 ZINC000451048116 285142162 /nfs/dbraw/zinc/14/21/62/285142162.db2.gz JQCQNTIEKQRDQX-LLVKDONJSA-N 1 1 312.316 3.225 20 5 DGBDMO CC[C@H]1CCC[N@H+]1CCC(=O)Nc1ccc([N+](=O)[O-])cc1C ZINC000340683831 253669269 /nfs/dbraw/zinc/66/92/69/253669269.db2.gz WJVJQXYRJNCLFX-ZDUSSCGKSA-N 1 1 305.378 3.106 20 5 DGBDMO C[N@@H+](CCc1nccs1)Cc1ccc(Cl)c([N+](=O)[O-])c1 ZINC000158013296 197234620 /nfs/dbraw/zinc/23/46/20/197234620.db2.gz AZOMGNQKTJSFKJ-UHFFFAOYSA-N 1 1 311.794 3.379 20 5 DGBDMO CC[N@@H+](CC1CC1)[C@H](C)c1nnc(-c2ccc([N+](=O)[O-])cc2)o1 ZINC000157895421 197224249 /nfs/dbraw/zinc/22/42/49/197224249.db2.gz UVGOIHWDUFTSDW-LLVKDONJSA-N 1 1 316.361 3.438 20 5 DGBDMO CC[C@H](C)C[N@@H+](CC)CCC(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000343711428 254180443 /nfs/dbraw/zinc/18/04/43/254180443.db2.gz NRVYHCHRTLTAFL-ZDUSSCGKSA-N 1 1 307.394 3.291 20 5 DGBDMO O=[N+]([O-])c1ccccc1CC[NH2+][C@H](c1ncc[nH]1)c1ccccc1 ZINC000344077613 254222067 /nfs/dbraw/zinc/22/20/67/254222067.db2.gz PABBYFRGPCUIRH-KRWDZBQOSA-N 1 1 322.368 3.240 20 5 DGBDMO C[C@@H](C(=O)Nc1ccccc1[N+](=O)[O-])[N@@H+](C)CC1CCCC1 ZINC000344186930 254237181 /nfs/dbraw/zinc/23/71/81/254237181.db2.gz GCHVDWNWZSRHSW-LBPRGKRZSA-N 1 1 305.378 3.044 20 5 DGBDMO CC[C@]1(C)CC[N@H+]([C@H](C)C(=O)Nc2cccc([N+](=O)[O-])c2)C1 ZINC000344214666 254240676 /nfs/dbraw/zinc/24/06/76/254240676.db2.gz CCNRKXOSPKTDGW-MLGOLLRUSA-N 1 1 305.378 3.044 20 5 DGBDMO COc1ccc([N+](=O)[O-])cc1C[NH2+][C@H](C)c1cnccc1C ZINC000271583474 209034316 /nfs/dbraw/zinc/03/43/16/209034316.db2.gz RVCJKTOJWKPNRL-GFCCVEGCSA-N 1 1 301.346 3.158 20 5 DGBDMO COc1ccc([N+](=O)[O-])cc1C[N@H+]1CCCCC[C@H]1C[C@@H](C)O ZINC000323004217 533218119 /nfs/dbraw/zinc/21/81/19/533218119.db2.gz VFMKWMXMCSUYKE-HIFRSBDPSA-N 1 1 322.405 3.119 20 5 DGBDMO CC1(C)C[N@@H+](CCc2ccc([N+](=O)[O-])cc2)[C@H]1[C@@H]1CCCO1 ZINC000289803765 221237346 /nfs/dbraw/zinc/23/73/46/221237346.db2.gz NWTBPSOBVDRTCC-HOTGVXAUSA-N 1 1 304.390 3.027 20 5 DGBDMO CCc1cnc(C[N@H+](C)CCc2ccccc2[N+](=O)[O-])s1 ZINC000348676092 285342055 /nfs/dbraw/zinc/34/20/55/285342055.db2.gz RETLOSATZIYRBK-UHFFFAOYSA-N 1 1 305.403 3.288 20 5 DGBDMO CCc1cnc(C[N@@H+](C)CCc2ccccc2[N+](=O)[O-])s1 ZINC000348676092 285342056 /nfs/dbraw/zinc/34/20/56/285342056.db2.gz RETLOSATZIYRBK-UHFFFAOYSA-N 1 1 305.403 3.288 20 5 DGBDMO C/C(=C\c1cccc([N+](=O)[O-])c1)CN(C)C[C@@H]1CCC[N@H+](C)C1 ZINC000470169719 533407320 /nfs/dbraw/zinc/40/73/20/533407320.db2.gz IFJGDWHLZYVMCZ-IUYQLWOBSA-N 1 1 317.433 3.272 20 5 DGBDMO C/C(=C\c1cccc([N+](=O)[O-])c1)CN(C)C[C@@H]1CCC[N@@H+](C)C1 ZINC000470169719 533407326 /nfs/dbraw/zinc/40/73/26/533407326.db2.gz IFJGDWHLZYVMCZ-IUYQLWOBSA-N 1 1 317.433 3.272 20 5 DGBDMO C/C(=C\c1cccc([N+](=O)[O-])c1)C[N@@H+](C)C[C@@H]1CCCN(C)C1 ZINC000470169719 533407331 /nfs/dbraw/zinc/40/73/31/533407331.db2.gz IFJGDWHLZYVMCZ-IUYQLWOBSA-N 1 1 317.433 3.272 20 5 DGBDMO C/C(=C\c1cccc([N+](=O)[O-])c1)C[N@H+](C)C[C@@H]1CCCN(C)C1 ZINC000470169719 533407335 /nfs/dbraw/zinc/40/73/35/533407335.db2.gz IFJGDWHLZYVMCZ-IUYQLWOBSA-N 1 1 317.433 3.272 20 5 DGBDMO C[C@@H](Nc1ncc([N+](=O)[O-])cc1F)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC000413244944 533565951 /nfs/dbraw/zinc/56/59/51/533565951.db2.gz NQNHMYDMROGJNZ-VXGBXAGGSA-N 1 1 322.384 3.194 20 5 DGBDMO CC[C@H](C)CC[NH2+][C@H](c1nccn1C)c1cccc([N+](=O)[O-])c1 ZINC000595072599 400098976 /nfs/dbraw/zinc/09/89/76/400098976.db2.gz HZESGSGTRHTWDG-BBRMVZONSA-N 1 1 316.405 3.444 20 5 DGBDMO CC[C@H](C)CC[NH2+][C@@H](c1nccn1C)c1ccc([N+](=O)[O-])cc1 ZINC000595071194 400099009 /nfs/dbraw/zinc/09/90/09/400099009.db2.gz ASBKSXKWUSYVBS-XJKSGUPXSA-N 1 1 316.405 3.444 20 5 DGBDMO Cn1ccnc1[C@H]([NH2+]CCC(C)(C)F)c1cccc([N+](=O)[O-])c1 ZINC000595088438 400101790 /nfs/dbraw/zinc/10/17/90/400101790.db2.gz QUAGRRAIKLGDQZ-CQSZACIVSA-N 1 1 320.368 3.146 20 5 DGBDMO CCC[N@@H+]1CC[C@H](N[C@@H](C)c2ccc(OCC)c([N+](=O)[O-])c2)C1 ZINC000595097374 400104935 /nfs/dbraw/zinc/10/49/35/400104935.db2.gz URCQAKOKIRALKK-ZFWWWQNUSA-N 1 1 321.421 3.128 20 5 DGBDMO CCC[N@H+]1CC[C@H](N[C@@H](C)c2ccc(OCC)c([N+](=O)[O-])c2)C1 ZINC000595097374 400104940 /nfs/dbraw/zinc/10/49/40/400104940.db2.gz URCQAKOKIRALKK-ZFWWWQNUSA-N 1 1 321.421 3.128 20 5 DGBDMO COc1cc([N+](=O)[O-])ccc1[C@@H](C)[NH2+]Cc1cncc(C)c1 ZINC000595036317 400084591 /nfs/dbraw/zinc/08/45/91/400084591.db2.gz QXVCRNRFAIYTKG-GFCCVEGCSA-N 1 1 301.346 3.158 20 5 DGBDMO C[C@@H](c1cccc([N+](=O)[O-])c1)N1CCC[C@]2(CC[N@@H+](C)C2)C1 ZINC000595507950 400172008 /nfs/dbraw/zinc/17/20/08/400172008.db2.gz SCCLGTRPRVHGQY-WMLDXEAASA-N 1 1 303.406 3.074 20 5 DGBDMO O=[N+]([O-])c1cc(F)ccc1C[N@H+]1CCC[C@H]1[C@@H]1CCCOC1 ZINC000595563825 400189179 /nfs/dbraw/zinc/18/91/79/400189179.db2.gz ULDJDTRIAYGANQ-HIFRSBDPSA-N 1 1 308.353 3.125 20 5 DGBDMO O=[N+]([O-])c1cc(F)ccc1C[N@@H+]1CCSC[C@@H]1C1CCC1 ZINC000595549339 400184580 /nfs/dbraw/zinc/18/45/80/400184580.db2.gz CUWGALRGWOJCTG-OAHLLOKOSA-N 1 1 310.394 3.451 20 5 DGBDMO O=[N+]([O-])c1cc(F)ccc1C[N@H+]1CCSC[C@@H]1C1CCC1 ZINC000595549339 400184583 /nfs/dbraw/zinc/18/45/83/400184583.db2.gz CUWGALRGWOJCTG-OAHLLOKOSA-N 1 1 310.394 3.451 20 5 DGBDMO Cc1noc(C[N@@H+]2CC[C@@H](c3cccc(F)c3)C2)c1[N+](=O)[O-] ZINC000595301179 400121601 /nfs/dbraw/zinc/12/16/01/400121601.db2.gz YAAYNATZWSGPDW-GFCCVEGCSA-N 1 1 305.309 3.020 20 5 DGBDMO Cc1noc(C[N@H+]2CC[C@@H](c3cccc(F)c3)C2)c1[N+](=O)[O-] ZINC000595301179 400121607 /nfs/dbraw/zinc/12/16/07/400121607.db2.gz YAAYNATZWSGPDW-GFCCVEGCSA-N 1 1 305.309 3.020 20 5 DGBDMO O=[N+]([O-])c1ccc2nc(N3CCC[C@H](c4[nH]cc[nH+]4)C3)ccc2c1 ZINC000091480024 400122869 /nfs/dbraw/zinc/12/28/69/400122869.db2.gz NTFLKTVSOXINTR-ZDUSSCGKSA-N 1 1 323.356 3.250 20 5 DGBDMO C[C@H](O)C[N@@H+](Cc1ccc(F)cc1[N+](=O)[O-])C1CCCCC1 ZINC000595303255 400123163 /nfs/dbraw/zinc/12/31/63/400123163.db2.gz OCQWFTMRPHSNHV-LBPRGKRZSA-N 1 1 310.369 3.249 20 5 DGBDMO Cc1noc(C[N@@H+]2CC[C@@H](c3ccccc3F)C2)c1[N+](=O)[O-] ZINC000595310771 400124966 /nfs/dbraw/zinc/12/49/66/400124966.db2.gz FKCQSELMOGSNNB-LLVKDONJSA-N 1 1 305.309 3.020 20 5 DGBDMO Cc1noc(C[N@H+]2CC[C@@H](c3ccccc3F)C2)c1[N+](=O)[O-] ZINC000595310771 400124968 /nfs/dbraw/zinc/12/49/68/400124968.db2.gz FKCQSELMOGSNNB-LLVKDONJSA-N 1 1 305.309 3.020 20 5 DGBDMO Cc1noc(C[N@@H+]2CC[C@@H](Cc3ccccc3)[C@@H]2C)c1[N+](=O)[O-] ZINC000595338366 400130170 /nfs/dbraw/zinc/13/01/70/400130170.db2.gz RKQNOJXUFVQLIY-ZFWWWQNUSA-N 1 1 315.373 3.344 20 5 DGBDMO COc1ccc([C@H]([NH2+]Cc2onc(C)c2[N+](=O)[O-])C2CC2)cc1 ZINC000595421423 400144381 /nfs/dbraw/zinc/14/43/81/400144381.db2.gz IUAKHXYEQVEJLH-OAHLLOKOSA-N 1 1 317.345 3.141 20 5 DGBDMO CC[N@H+](Cc1cc([N+](=O)[O-])ccc1OC(C)C)C[C@@H]1CCOC1 ZINC000609203704 400150013 /nfs/dbraw/zinc/15/00/13/400150013.db2.gz OCPYNRVGNFNJFW-AWEZNQCLSA-N 1 1 322.405 3.240 20 5 DGBDMO C[N@@H+](Cc1ccc(F)cc1[N+](=O)[O-])CC1(O)CCCCCC1 ZINC000595444597 400152384 /nfs/dbraw/zinc/15/23/84/400152384.db2.gz BYAGIVGXTPPPRN-UHFFFAOYSA-N 1 1 310.369 3.251 20 5 DGBDMO Cc1ccc([N+](=O)[O-])cc1NC(=O)C[NH+]1CCC2(CCC2)CC1 ZINC000586783027 400154665 /nfs/dbraw/zinc/15/46/65/400154665.db2.gz KUSLVZJYQSPKCG-UHFFFAOYSA-N 1 1 317.389 3.108 20 5 DGBDMO Cc1noc(C[N@@H+]2CC[C@H](C(F)(F)F)C2(C)C)c1[N+](=O)[O-] ZINC000595457067 400156137 /nfs/dbraw/zinc/15/61/37/400156137.db2.gz WFTUKYVFARUSHR-VIFPVBQESA-N 1 1 307.272 3.054 20 5 DGBDMO Cc1noc(C[N@H+]2CC[C@H](C(F)(F)F)C2(C)C)c1[N+](=O)[O-] ZINC000595457067 400156145 /nfs/dbraw/zinc/15/61/45/400156145.db2.gz WFTUKYVFARUSHR-VIFPVBQESA-N 1 1 307.272 3.054 20 5 DGBDMO C[C@@H]1CC2(C[N@H+]1Cc1ccc(F)cc1[N+](=O)[O-])CCOCC2 ZINC000595558035 400187830 /nfs/dbraw/zinc/18/78/30/400187830.db2.gz NELVYJHERAVLEU-GFCCVEGCSA-N 1 1 308.353 3.125 20 5 DGBDMO O=[N+]([O-])c1cc(F)ccc1C[N@@H+]1CCC[C@H](OC2CCC2)C1 ZINC000595561631 400188094 /nfs/dbraw/zinc/18/80/94/400188094.db2.gz ONJNXDVHYCXZKW-HNNXBMFYSA-N 1 1 308.353 3.267 20 5 DGBDMO O=[N+]([O-])c1cc(F)ccc1C[N@H+]1CCC[C@H](OC2CCC2)C1 ZINC000595561631 400188100 /nfs/dbraw/zinc/18/81/00/400188100.db2.gz ONJNXDVHYCXZKW-HNNXBMFYSA-N 1 1 308.353 3.267 20 5 DGBDMO O=[N+]([O-])c1cc(C[N@@H+]2CCC[C@H](c3ccccn3)C2)cs1 ZINC000595499316 400168781 /nfs/dbraw/zinc/16/87/81/400168781.db2.gz FKVHLJVHOICIML-ZDUSSCGKSA-N 1 1 303.387 3.431 20 5 DGBDMO O=[N+]([O-])c1cc(C[N@H+]2CCC[C@H](c3ccccn3)C2)cs1 ZINC000595499316 400168785 /nfs/dbraw/zinc/16/87/85/400168785.db2.gz FKVHLJVHOICIML-ZDUSSCGKSA-N 1 1 303.387 3.431 20 5 DGBDMO CCC[C@@H](C)[N@@H+](C)CCC(=O)Nc1ccc([N+](=O)[O-])cc1C ZINC000067965194 400220017 /nfs/dbraw/zinc/22/00/17/400220017.db2.gz QVEOAJDMXDLAIZ-CYBMUJFWSA-N 1 1 307.394 3.352 20 5 DGBDMO C[C@H](c1ccccc1[N+](=O)[O-])[N@H+]1CCC[C@@H](c2cc[nH]n2)C1 ZINC000610247998 400229208 /nfs/dbraw/zinc/22/92/08/400229208.db2.gz BSOASNNCLPUSGK-CHWSQXEVSA-N 1 1 300.362 3.259 20 5 DGBDMO COc1ccc([N+](=O)[O-])c(NCC[NH+]2Cc3ccccc3C2)c1 ZINC000610274564 400230415 /nfs/dbraw/zinc/23/04/15/400230415.db2.gz FRBPZYUFPFNVQP-UHFFFAOYSA-N 1 1 313.357 3.031 20 5 DGBDMO C[C@@H](NCC[N@@H+]1C[C@H](C)C[C@H](C)C1)c1cccc([N+](=O)[O-])c1 ZINC000610420407 400255869 /nfs/dbraw/zinc/25/58/69/400255869.db2.gz QZONDXQQMWDUIU-QLFBSQMISA-N 1 1 305.422 3.223 20 5 DGBDMO C[C@@H]([NH2+]CCN1C[C@H](C)C[C@H](C)C1)c1cccc([N+](=O)[O-])c1 ZINC000610420407 400255873 /nfs/dbraw/zinc/25/58/73/400255873.db2.gz QZONDXQQMWDUIU-QLFBSQMISA-N 1 1 305.422 3.223 20 5 DGBDMO COc1cc(F)cc(OC)c1C[NH2+]Cc1ccc([N+](=O)[O-])cc1 ZINC000601101864 400232085 /nfs/dbraw/zinc/23/20/85/400232085.db2.gz ZGVCRYQPCOEILT-UHFFFAOYSA-N 1 1 320.320 3.041 20 5 DGBDMO C[C@H]1CCC[N@@H+](Cc2ccc(Cl)cc2[N+](=O)[O-])[C@@H]1CCO ZINC000595706029 400237956 /nfs/dbraw/zinc/23/79/56/400237956.db2.gz WRGKYURGEMBWAT-SMDDNHRTSA-N 1 1 312.797 3.231 20 5 DGBDMO CO[C@H]1CCN(c2cc[nH+]c3ccc([N+](=O)[O-])cc32)C[C@@H]1C ZINC000601171860 400256316 /nfs/dbraw/zinc/25/63/16/400256316.db2.gz RRWJAZZFZLBGBY-ZBEGNZNMSA-N 1 1 301.346 3.004 20 5 DGBDMO O=[N+]([O-])c1ccc2[nH+]ccc(N3CC[C@H]([C@@H]4CCOC4)C3)c2c1 ZINC000601132538 400244325 /nfs/dbraw/zinc/24/43/25/400244325.db2.gz JBYVYMZKHHHAKU-QWHCGFSZSA-N 1 1 313.357 3.006 20 5 DGBDMO CC(C)[N@@H+](Cc1nc(-c2cccc([N+](=O)[O-])c2)no1)C1CC1 ZINC000025952638 400248575 /nfs/dbraw/zinc/24/85/75/400248575.db2.gz XSRRRYJUAFTDBK-UHFFFAOYSA-N 1 1 302.334 3.018 20 5 DGBDMO C[C@H]1C[C@@H](Nc2ccc([N+](=O)[O-])c3cccnc23)C[N@H+]1C1CC1 ZINC000092672342 400192726 /nfs/dbraw/zinc/19/27/26/400192726.db2.gz UUWOJZJFADDQJB-NWDGAFQWSA-N 1 1 312.373 3.180 20 5 DGBDMO CC[C@@H](C)[N@@H+](CC)CCC(=O)Nc1ccc(OC)cc1[N+](=O)[O-] ZINC000595599453 400198853 /nfs/dbraw/zinc/19/88/53/400198853.db2.gz LWHNDKZOMWQFFR-GFCCVEGCSA-N 1 1 323.393 3.052 20 5 DGBDMO CC[C@@H](C)[N@@H+](CC)Cc1nc(-c2ccc([N+](=O)[O-])cc2)no1 ZINC000595598997 400198970 /nfs/dbraw/zinc/19/89/70/400198970.db2.gz JFDPEBKOGOJIKU-LLVKDONJSA-N 1 1 304.350 3.265 20 5 DGBDMO CC[C@H](C)[N@@H+](CC)Cc1nc(-c2ccc([N+](=O)[O-])cc2)no1 ZINC000595598998 400199125 /nfs/dbraw/zinc/19/91/25/400199125.db2.gz JFDPEBKOGOJIKU-NSHDSACASA-N 1 1 304.350 3.265 20 5 DGBDMO CCC[C@]1(CO)CCN(c2cc[nH+]c3ccc([N+](=O)[O-])cc32)C1 ZINC000601167100 400255014 /nfs/dbraw/zinc/25/50/14/400255014.db2.gz XLHOTVWXRGSLSW-KRWDZBQOSA-N 1 1 315.373 3.132 20 5 DGBDMO CC(C)[N@@H+](CCOC[C@@H]1CCCO1)Cc1ccc([N+](=O)[O-])cc1 ZINC000610161081 400217127 /nfs/dbraw/zinc/21/71/27/400217127.db2.gz SEFLWLKEGHLCRR-KRWDZBQOSA-N 1 1 322.405 3.001 20 5 DGBDMO Cc1c(C[N@H+]2CC3(CCCC3)OC[C@@H]2C)cccc1[N+](=O)[O-] ZINC000595815790 400268416 /nfs/dbraw/zinc/26/84/16/400268416.db2.gz SLUSCPBCBLRQDC-ZDUSSCGKSA-N 1 1 304.390 3.437 20 5 DGBDMO Cc1c(C[N@@H+]2CC3(CCCC3)OC[C@@H]2C)cccc1[N+](=O)[O-] ZINC000595815790 400268422 /nfs/dbraw/zinc/26/84/22/400268422.db2.gz SLUSCPBCBLRQDC-ZDUSSCGKSA-N 1 1 304.390 3.437 20 5 DGBDMO C[N@H+](Cc1ccc(-c2ccccc2[N+](=O)[O-])o1)C[C@H](O)C1CC1 ZINC000589196450 400273211 /nfs/dbraw/zinc/27/32/11/400273211.db2.gz BQLSCRRTWZMSKI-INIZCTEOSA-N 1 1 316.357 3.058 20 5 DGBDMO C[C@@H](c1cccs1)[N@H+](C)CC(=O)Nc1ccccc1[N+](=O)[O-] ZINC000027554442 400275104 /nfs/dbraw/zinc/27/51/04/400275104.db2.gz OSGKYHZHCIHWOL-NSHDSACASA-N 1 1 319.386 3.288 20 5 DGBDMO C[C@@H](c1cccs1)[N@@H+](C)CC(=O)Nc1ccccc1[N+](=O)[O-] ZINC000027554442 400275107 /nfs/dbraw/zinc/27/51/07/400275107.db2.gz OSGKYHZHCIHWOL-NSHDSACASA-N 1 1 319.386 3.288 20 5 DGBDMO C[N@H+]1CCC[C@@H](CNc2ccc(C(F)(F)F)cc2[N+](=O)[O-])C1 ZINC000068722744 400281602 /nfs/dbraw/zinc/28/16/02/400281602.db2.gz NVEROZOGIVIFIV-JTQLQIEISA-N 1 1 317.311 3.367 20 5 DGBDMO CCC[C@@H](C)[N@@H+](C)CC(=O)Nc1ccc(Cl)cc1[N+](=O)[O-] ZINC000030269487 400322909 /nfs/dbraw/zinc/32/29/09/400322909.db2.gz LXKXCPRHDWBRGL-SNVBAGLBSA-N 1 1 313.785 3.307 20 5 DGBDMO COc1cc([N+](=O)[O-])ccc1[C@@H](C)[NH2+][C@@H]1C[C@H]1C(F)(F)F ZINC000601306117 400287537 /nfs/dbraw/zinc/28/75/37/400287537.db2.gz AQUGGNSVTDVTLZ-AVPPRXQKSA-N 1 1 304.268 3.205 20 5 DGBDMO C[C@@H](CNc1ccc([N+](=O)[O-])c2cnccc12)[N@@H+](C)C1CC1 ZINC000068913611 400299758 /nfs/dbraw/zinc/29/97/58/400299758.db2.gz YZHDQAQBZGUYPY-NSHDSACASA-N 1 1 300.362 3.038 20 5 DGBDMO Cc1cc(NCCc2cn3c([nH+]2)CCCC3)c([N+](=O)[O-])s1 ZINC000596073309 400309544 /nfs/dbraw/zinc/30/95/44/400309544.db2.gz LJZNKZRATVBAHS-UHFFFAOYSA-N 1 1 306.391 3.152 20 5 DGBDMO COc1cc(NCCC[N@@H+](C)C(C)C)c(Cl)cc1[N+](=O)[O-] ZINC000596075509 400310052 /nfs/dbraw/zinc/31/00/52/400310052.db2.gz FIPQSVYTCMBKEX-UHFFFAOYSA-N 1 1 315.801 3.399 20 5 DGBDMO Cc1cccc([N+](=O)[O-])c1NC(=O)C[N@@H+]1CC[C@H](CC(C)C)C1 ZINC000072491990 400382261 /nfs/dbraw/zinc/38/22/61/400382261.db2.gz OBYFQPWATRFLLP-CQSZACIVSA-N 1 1 319.405 3.210 20 5 DGBDMO CC(C)(C)[N@H+]1CC[C@@H](Nc2ccc3ncccc3c2[N+](=O)[O-])C1 ZINC000596335171 400384381 /nfs/dbraw/zinc/38/43/81/400384381.db2.gz GJEUPWMSGJQYSI-GFCCVEGCSA-N 1 1 314.389 3.428 20 5 DGBDMO CCOc1cc(C[NH2+][C@H](C)c2c(C)noc2C)ccc1[N+](=O)[O-] ZINC000617217487 400331896 /nfs/dbraw/zinc/33/18/96/400331896.db2.gz QNPJKAOHHDBTLE-SNVBAGLBSA-N 1 1 319.361 3.449 20 5 DGBDMO O=[N+]([O-])c1cc(Cl)ccc1C[N@@H+]1CC[C@@H](O)C12CCCC2 ZINC000590123485 400358672 /nfs/dbraw/zinc/35/86/72/400358672.db2.gz YQAPMNLCPBTLNG-CQSZACIVSA-N 1 1 310.781 3.128 20 5 DGBDMO C[C@H]1CCC[C@@H]([N@@H+](C)Cc2cc3c(cc2[N+](=O)[O-])OCCO3)C1 ZINC000611254214 400365351 /nfs/dbraw/zinc/36/53/51/400365351.db2.gz UDAJLSHOURVWII-GXTWGEPZSA-N 1 1 320.389 3.377 20 5 DGBDMO CC[N@@H+](Cc1cc2c(cc1[N+](=O)[O-])OCCO2)C1CCCC1 ZINC000611254717 400365456 /nfs/dbraw/zinc/36/54/56/400365456.db2.gz POSSGGNFLKTACF-UHFFFAOYSA-N 1 1 306.362 3.131 20 5 DGBDMO CC1(C)C[N@H+](C/C=C/c2ccccc2[N+](=O)[O-])C(C)(C)CO1 ZINC000611272339 400371700 /nfs/dbraw/zinc/37/17/00/400371700.db2.gz YNYCSEBBLRCNHK-VQHVLOKHSA-N 1 1 304.390 3.497 20 5 DGBDMO CC1(C)C[N@@H+](C/C=C/c2ccccc2[N+](=O)[O-])C(C)(C)CO1 ZINC000611272339 400371702 /nfs/dbraw/zinc/37/17/02/400371702.db2.gz YNYCSEBBLRCNHK-VQHVLOKHSA-N 1 1 304.390 3.497 20 5 DGBDMO CC[C@@H](C)C[N@@H+](CC)Cc1cc2c(cc1[N+](=O)[O-])OCCO2 ZINC000611276014 400372764 /nfs/dbraw/zinc/37/27/64/400372764.db2.gz UJRZTMMLUMEJDJ-GFCCVEGCSA-N 1 1 308.378 3.234 20 5 DGBDMO CC(C)(C)[N@H+]1CC[C@H]1CNc1nccc2c1cccc2[N+](=O)[O-] ZINC000596309263 400376719 /nfs/dbraw/zinc/37/67/19/400376719.db2.gz RDQBPOFLLSRVIU-LBPRGKRZSA-N 1 1 314.389 3.428 20 5 DGBDMO CC(C)(C)[N@H+]1CC[C@H]1CNc1nccc2ccc([N+](=O)[O-])cc21 ZINC000596309565 400376889 /nfs/dbraw/zinc/37/68/89/400376889.db2.gz VQSHNSLMDLRRGB-AWEZNQCLSA-N 1 1 314.389 3.428 20 5 DGBDMO CC(C)(C)[N@H+]1CC[C@@H]1CNc1ccnc2c1cccc2[N+](=O)[O-] ZINC000596308763 400377058 /nfs/dbraw/zinc/37/70/58/400377058.db2.gz NMXVBJQNARAYDJ-GFCCVEGCSA-N 1 1 314.389 3.428 20 5 DGBDMO O=[N+]([O-])c1ccsc1N1CC[NH+](CCc2cccs2)CC1 ZINC000611411577 400395535 /nfs/dbraw/zinc/39/55/35/400395535.db2.gz CVNGIYHYORGODI-UHFFFAOYSA-N 1 1 323.443 3.083 20 5 DGBDMO CCC[N@H+]1CC[C@@H](CNc2cc(OC)c(C)cc2[N+](=O)[O-])C1 ZINC000590573590 400397798 /nfs/dbraw/zinc/39/77/98/400397798.db2.gz DDNOKMJFCBFAJX-ZDUSSCGKSA-N 1 1 307.394 3.056 20 5 DGBDMO Cc1cccc([N+](=O)[O-])c1NC(=O)C[N@@H+]1CCC[C@H]2CCC[C@@H]21 ZINC000072693728 400398534 /nfs/dbraw/zinc/39/85/34/400398534.db2.gz OQOIBWBRKRWTDK-KGLIPLIRSA-N 1 1 317.389 3.106 20 5 DGBDMO Cc1cccc([N+](=O)[O-])c1NC(=O)C[N@H+]1CCC[C@H]2CCC[C@@H]21 ZINC000072693728 400398536 /nfs/dbraw/zinc/39/85/36/400398536.db2.gz OQOIBWBRKRWTDK-KGLIPLIRSA-N 1 1 317.389 3.106 20 5 DGBDMO Cc1nc(N[C@H]2CC[N@H+](C3CCCCC3)C2)ccc1[N+](=O)[O-] ZINC000596479185 400424399 /nfs/dbraw/zinc/42/43/99/400424399.db2.gz LXIMZBHQGLGAQX-ZDUSSCGKSA-N 1 1 304.394 3.117 20 5 DGBDMO CCC[N@H+]1CC[C@@H](Nc2cc(OC)c([N+](=O)[O-])cc2Cl)C1 ZINC000596518841 400436530 /nfs/dbraw/zinc/43/65/30/400436530.db2.gz XJDLHELHMFQWKR-SNVBAGLBSA-N 1 1 313.785 3.153 20 5 DGBDMO Cc1cc(C)c([N+](=O)[O-])c(NC[C@@H]2CCC[N@@H+](CC3CC3)C2)n1 ZINC000596571528 400447129 /nfs/dbraw/zinc/44/71/29/400447129.db2.gz UTWQUVNYYMCYQJ-HNNXBMFYSA-N 1 1 318.421 3.141 20 5 DGBDMO C[C@H](CC(F)(F)F)[NH2+]Cc1nc2cc([N+](=O)[O-])ccc2o1 ZINC000602611289 400512050 /nfs/dbraw/zinc/51/20/50/400512050.db2.gz LWUSGRBFMKNFPX-SSDOTTSWSA-N 1 1 303.240 3.167 20 5 DGBDMO O=[N+]([O-])c1ccc2oc(C[N@H+]3CC[C@@H](C4CCC4)C3)nc2c1 ZINC000591062120 400480458 /nfs/dbraw/zinc/48/04/58/400480458.db2.gz WJHKZDSRGOYOQP-GFCCVEGCSA-N 1 1 301.346 3.358 20 5 DGBDMO C[C@H](C(=O)Nc1ccc([N+](=O)[O-])cc1)[N@H+]1CC[C@@H](C2CCC2)C1 ZINC000591061692 400480786 /nfs/dbraw/zinc/48/07/86/400480786.db2.gz DDHZTALIVFTBST-TZMCWYRMSA-N 1 1 317.389 3.044 20 5 DGBDMO C[C@H](C(=O)Nc1ccccc1[N+](=O)[O-])[N@H+]1CC[C@H](C2CCC2)C1 ZINC000591061701 400481066 /nfs/dbraw/zinc/48/10/66/400481066.db2.gz DOVVIQZEFDSAJL-OCCSQVGLSA-N 1 1 317.389 3.044 20 5 DGBDMO O=[N+]([O-])c1ccc2oc(C[N@H+]3C[C@H](C4CC4)[C@@H]3C3CC3)nc2c1 ZINC000602683656 400538098 /nfs/dbraw/zinc/53/80/98/400538098.db2.gz QWTZGYNBAAYRFP-DYVFJYSZSA-N 1 1 313.357 3.356 20 5 DGBDMO CC[C@H](CSc1ccccc1[N+](=O)[O-])[NH2+]C[C@H]1CCCCN1 ZINC000591578082 400541358 /nfs/dbraw/zinc/54/13/58/400541358.db2.gz WFMMNBHJMVUHAO-ZIAGYGMSSA-N 1 1 323.462 3.197 20 5 DGBDMO CC[C@H]1C[C@@H](C)C[N@H+]1Cc1cc([N+](=O)[O-])cc2c1OCOC2 ZINC000075021533 400553045 /nfs/dbraw/zinc/55/30/45/400553045.db2.gz PBQUWSFPUFVTFX-RISCZKNCSA-N 1 1 306.362 3.082 20 5 DGBDMO Cc1ncc([N+](=O)[O-])n1CC[N@H+](C)[C@@H](C)c1ccc(F)c(F)c1 ZINC000602758002 400564824 /nfs/dbraw/zinc/56/48/24/400564824.db2.gz DOIGHNUDTVXCOU-JTQLQIEISA-N 1 1 324.331 3.071 20 5 DGBDMO Cc1c(NC(=O)[C@@H](C)[NH+]2CCC(C)(F)CC2)cccc1[N+](=O)[O-] ZINC000602993202 400623147 /nfs/dbraw/zinc/62/31/47/400623147.db2.gz UFHWVTTYQRQAAB-GFCCVEGCSA-N 1 1 323.368 3.054 20 5 DGBDMO O=[N+]([O-])c1cccc(C[N@@H+](Cc2ccco2)C[C@@H]2CCCO2)c1 ZINC000141816265 400627077 /nfs/dbraw/zinc/62/70/77/400627077.db2.gz XTPMLLDDYJIMLQ-KRWDZBQOSA-N 1 1 316.357 3.369 20 5 DGBDMO O=[N+]([O-])c1cccc(C[N@H+](Cc2ccco2)C[C@@H]2CCCO2)c1 ZINC000141816265 400627084 /nfs/dbraw/zinc/62/70/84/400627084.db2.gz XTPMLLDDYJIMLQ-KRWDZBQOSA-N 1 1 316.357 3.369 20 5 DGBDMO COCC1(C2CCC2)C[NH+](Cc2ccc([N+](=O)[O-])cc2Cl)C1 ZINC000597195797 400582815 /nfs/dbraw/zinc/58/28/15/400582815.db2.gz OURPXJKKNWXNNG-UHFFFAOYSA-N 1 1 324.808 3.497 20 5 DGBDMO C/C(=C\c1cccc([N+](=O)[O-])c1)C[N@H+]1CCC[C@](O)(C2CC2)C1 ZINC000597203961 400587702 /nfs/dbraw/zinc/58/77/02/400587702.db2.gz AZIBEFYUSFTBLO-PMXLPMHFSA-N 1 1 316.401 3.235 20 5 DGBDMO O=[N+]([O-])c1cccc(F)c1C[N@H+]1CCC[C@H]1[C@@H]1CCCOC1 ZINC000592134924 400611252 /nfs/dbraw/zinc/61/12/52/400611252.db2.gz UELVXMMDUBUTKT-DOMZBBRYSA-N 1 1 308.353 3.125 20 5 DGBDMO CCC[N@@H+](C/C=C\c1ccccc1[N+](=O)[O-])[C@@H]1CCN(C)C1 ZINC000592521247 400662431 /nfs/dbraw/zinc/66/24/31/400662431.db2.gz YEZSRMNEVTUWJN-QKIRZYONSA-N 1 1 303.406 3.024 20 5 DGBDMO CCCN(C/C=C\c1ccccc1[N+](=O)[O-])[C@@H]1CC[N@H+](C)C1 ZINC000592521247 400662434 /nfs/dbraw/zinc/66/24/34/400662434.db2.gz YEZSRMNEVTUWJN-QKIRZYONSA-N 1 1 303.406 3.024 20 5 DGBDMO CCCN(C/C=C\c1ccccc1[N+](=O)[O-])[C@@H]1CC[N@@H+](C)C1 ZINC000592521247 400662437 /nfs/dbraw/zinc/66/24/37/400662437.db2.gz YEZSRMNEVTUWJN-QKIRZYONSA-N 1 1 303.406 3.024 20 5 DGBDMO Cc1ccc([N+](=O)[O-])cc1[C@@H](C)N[C@@H]1CC[N@H+](CC2CC2)C1 ZINC000157710484 400719819 /nfs/dbraw/zinc/71/98/19/400719819.db2.gz OBHDCGWKDVWICS-UKRRQHHQSA-N 1 1 303.406 3.038 20 5 DGBDMO Cc1ccc([N+](=O)[O-])cc1[C@@H](C)N[C@@H]1CC[N@@H+](CC2CC2)C1 ZINC000157710484 400719822 /nfs/dbraw/zinc/71/98/22/400719822.db2.gz OBHDCGWKDVWICS-UKRRQHHQSA-N 1 1 303.406 3.038 20 5 DGBDMO Cc1ccccc1C[N@@H+](C)CCOc1ccccc1[N+](=O)[O-] ZINC000603838209 400720892 /nfs/dbraw/zinc/72/08/92/400720892.db2.gz IQFSVQQQFFPIAQ-UHFFFAOYSA-N 1 1 300.358 3.414 20 5 DGBDMO CCOC(=O)CC[C@@H]1CCC[N@@H+](Cc2cccc([N+](=O)[O-])c2)C1 ZINC000162224200 400744000 /nfs/dbraw/zinc/74/40/00/400744000.db2.gz SBHBAMNGLVWOCI-AWEZNQCLSA-N 1 1 320.389 3.150 20 5 DGBDMO CCn1cc(C[N@@H+](CCc2ccc([N+](=O)[O-])cc2)C(C)C)cn1 ZINC000593078992 400755750 /nfs/dbraw/zinc/75/57/50/400755750.db2.gz BNPPYCHJXRBICI-UHFFFAOYSA-N 1 1 316.405 3.264 20 5 DGBDMO Cc1c([C@H](C)NCc2ccc(C[NH3+])cc2F)cccc1[N+](=O)[O-] ZINC000593319781 400818184 /nfs/dbraw/zinc/81/81/84/400818184.db2.gz PJYWPAOZIBUPOD-LBPRGKRZSA-N 1 1 317.364 3.352 20 5 DGBDMO CCC[N@@H+](C)CC(C)(C)NC(=O)c1cc([N+](=O)[O-])c(C)cc1C ZINC000598466442 400818247 /nfs/dbraw/zinc/81/82/47/400818247.db2.gz UIJKJEBPNLNALU-UHFFFAOYSA-N 1 1 321.421 3.062 20 5 DGBDMO CCC(=O)c1ccc(N[C@H]2CC[N@@H+](CC3CC3)C2)c([N+](=O)[O-])c1 ZINC000619480620 400854922 /nfs/dbraw/zinc/85/49/22/400854922.db2.gz FBUAOBLRWCALQK-AWEZNQCLSA-N 1 1 317.389 3.084 20 5 DGBDMO O=[N+]([O-])c1cccc(F)c1C[N@@H+]1CCOCC2(CCCC2)C1 ZINC000614222893 400856554 /nfs/dbraw/zinc/85/65/54/400856554.db2.gz OFBGNWFKGJQZJI-UHFFFAOYSA-N 1 1 308.353 3.127 20 5 DGBDMO O=[N+]([O-])c1cccc(F)c1C[N@H+]1CCOCC2(CCCC2)C1 ZINC000614222893 400856560 /nfs/dbraw/zinc/85/65/60/400856560.db2.gz OFBGNWFKGJQZJI-UHFFFAOYSA-N 1 1 308.353 3.127 20 5 DGBDMO C[C@H](NC[C@H]1CC[N@@H+]1C1CCCC1)c1cccc([N+](=O)[O-])c1 ZINC000599073958 400952304 /nfs/dbraw/zinc/95/23/04/400952304.db2.gz ODQQIYYFMPAQIX-SUMWQHHRSA-N 1 1 303.406 3.262 20 5 DGBDMO CN(C)c1cccc(C[N@@H+](C)CCc2cccc([N+](=O)[O-])c2)c1 ZINC000619785402 400907152 /nfs/dbraw/zinc/90/71/52/400907152.db2.gz CFUFHPJHRSELKP-UHFFFAOYSA-N 1 1 313.401 3.335 20 5 DGBDMO Cc1ccc([C@@H](C)N[C@@H]2CC[N@@H+](C)C(C)(C)C2)cc1[N+](=O)[O-] ZINC000598965667 400914976 /nfs/dbraw/zinc/91/49/76/400914976.db2.gz OIMKDHOYCBBUOU-UKRRQHHQSA-N 1 1 305.422 3.427 20 5 DGBDMO Cc1ccc([C@@H](C)[NH2+][C@@H]2CCN(C)C(C)(C)C2)cc1[N+](=O)[O-] ZINC000598965667 400914984 /nfs/dbraw/zinc/91/49/84/400914984.db2.gz OIMKDHOYCBBUOU-UKRRQHHQSA-N 1 1 305.422 3.427 20 5 DGBDMO O=[N+]([O-])c1c(N[C@H]2CC[N@H+]3CCC[C@H]3C2)ccc2cnccc21 ZINC000599023282 400929788 /nfs/dbraw/zinc/92/97/88/400929788.db2.gz DNQBOUDNYDFZDT-KBPBESRZSA-N 1 1 312.373 3.182 20 5 DGBDMO O=[N+]([O-])c1c(N[C@H]2CC[N@H+]3CCC[C@@H]3C2)ccc2cnccc21 ZINC000599023285 400929992 /nfs/dbraw/zinc/92/99/92/400929992.db2.gz DNQBOUDNYDFZDT-UONOGXRCSA-N 1 1 312.373 3.182 20 5 DGBDMO COc1cc(NC[C@@H]2CC[N@H+]2C2CCCC2)c([N+](=O)[O-])cc1F ZINC000599163132 400982757 /nfs/dbraw/zinc/98/27/57/400982757.db2.gz BOUMVQRXQIPEQS-LBPRGKRZSA-N 1 1 323.368 3.171 20 5 DGBDMO C[N@H+]1CCCC[C@H](CNc2ccc([N+](=O)[O-])c3cnccc23)C1 ZINC000599140327 400972810 /nfs/dbraw/zinc/97/28/10/400972810.db2.gz UUNHGOBWKNAFRG-CYBMUJFWSA-N 1 1 314.389 3.287 20 5 DGBDMO COc1ccc([N+](=O)[O-])cc1C[NH+]1C[C@H](C)C(F)(F)[C@@H](C)C1 ZINC000599513774 401063985 /nfs/dbraw/zinc/06/39/85/401063985.db2.gz UFRCABGCGWJIBX-QWRGUYRKSA-N 1 1 314.332 3.327 20 5 DGBDMO CC[C@H](CN[C@H]1CCc2c1cccc2[N+](=O)[O-])[NH+]1CCCC1 ZINC000594493840 401077828 /nfs/dbraw/zinc/07/78/28/401077828.db2.gz NJXFDILRPXPGAQ-CJNGLKHVSA-N 1 1 303.406 3.046 20 5 DGBDMO CN(C/C=C\c1ccccc1[N+](=O)[O-])CC[C@@H]1CCCC[N@H+]1C ZINC000255020091 401102072 /nfs/dbraw/zinc/10/20/72/401102072.db2.gz GVFJOUPLDPHVNB-KMDWOBIYSA-N 1 1 317.433 3.414 20 5 DGBDMO C[C@]12CCCC[C@H]1C[N@H+]2CCC(=O)Nc1ccccc1[N+](=O)[O-] ZINC000599669102 401108348 /nfs/dbraw/zinc/10/83/48/401108348.db2.gz BCYHYPFPZGAUJB-GUYCJALGSA-N 1 1 317.389 3.188 20 5 DGBDMO C[C@H]1SCC[N@H+](Cc2nc3cc([N+](=O)[O-])ccc3o2)[C@H]1C ZINC000083199067 401114705 /nfs/dbraw/zinc/11/47/05/401114705.db2.gz BBIVWTMZYNGVEN-VHSXEESVSA-N 1 1 307.375 3.062 20 5 DGBDMO C[C@H]1SCC[N@@H+](Cc2nc3cc([N+](=O)[O-])ccc3o2)[C@H]1C ZINC000083199067 401114708 /nfs/dbraw/zinc/11/47/08/401114708.db2.gz BBIVWTMZYNGVEN-VHSXEESVSA-N 1 1 307.375 3.062 20 5 DGBDMO C/C(=C\c1cccc([N+](=O)[O-])c1)C[N@@H+](CCO)CC(C)(C)C ZINC000615835581 401161566 /nfs/dbraw/zinc/16/15/66/401161566.db2.gz STJLXKMXEBRYRS-GXDHUFHOSA-N 1 1 306.406 3.339 20 5 DGBDMO Cc1ccc([N+](=O)[O-])c(N2CCC(C[N@H+](C)C(C)C)CC2)c1 ZINC000088701937 401205709 /nfs/dbraw/zinc/20/57/09/401205709.db2.gz AAYUBUKSWUUHEX-UHFFFAOYSA-N 1 1 305.422 3.460 20 5 DGBDMO COc1cc([N+](=O)[O-])ccc1[C@@H](C)[NH2+][C@H](C)CN1CCCCC1 ZINC000595008964 401229682 /nfs/dbraw/zinc/22/96/82/401229682.db2.gz WTPQWMILVKVRIT-ZIAGYGMSSA-N 1 1 321.421 3.128 20 5 DGBDMO CC[N@H+]1CCCC[C@H]1CN[C@@H](C)c1ccc([N+](=O)[O-])cc1OC ZINC000595020080 401235815 /nfs/dbraw/zinc/23/58/15/401235815.db2.gz TVNIQOFMWAXOJI-ZFWWWQNUSA-N 1 1 321.421 3.128 20 5 DGBDMO CCN1CCCC[C@H]1C[NH2+][C@@H](C)c1ccc([N+](=O)[O-])cc1OC ZINC000595020080 401235819 /nfs/dbraw/zinc/23/58/19/401235819.db2.gz TVNIQOFMWAXOJI-ZFWWWQNUSA-N 1 1 321.421 3.128 20 5 DGBDMO C[N@@H+](CCNc1ccc([N+](=O)[O-])cc1F)Cc1ccccc1 ZINC000064916248 401254408 /nfs/dbraw/zinc/25/44/08/401254408.db2.gz WPRVAMNRMUTWOE-UHFFFAOYSA-N 1 1 303.337 3.278 20 5 DGBDMO C[C@@H](c1ccccc1)[N@H+]1CC[C@@H](Nc2ncccc2[N+](=O)[O-])C1 ZINC000064915939 401254754 /nfs/dbraw/zinc/25/47/54/401254754.db2.gz QUGDLNITFXWOCS-DZGCQCFKSA-N 1 1 312.373 3.237 20 5 DGBDMO COc1ccc2c(c1)C[N@H+](CCc1ccc([N+](=O)[O-])cc1)CC2 ZINC000065164728 401258736 /nfs/dbraw/zinc/25/87/36/401258736.db2.gz YCHNFTVHOOBFEN-UHFFFAOYSA-N 1 1 312.369 3.204 20 5 DGBDMO Cc1c(C[NH2+]Cc2nccn2-c2ccccc2)cccc1[N+](=O)[O-] ZINC000359809367 286384370 /nfs/dbraw/zinc/38/43/70/286384370.db2.gz ZLRSFZIYZHDZSZ-UHFFFAOYSA-N 1 1 322.368 3.379 20 5 DGBDMO Cc1ccc([C@@H]2CCCC[N@H+]2CCn2ccc([N+](=O)[O-])n2)cc1 ZINC000176262241 164776741 /nfs/dbraw/zinc/77/67/41/164776741.db2.gz NLDNRZNUDCMFQS-INIZCTEOSA-N 1 1 314.389 3.327 20 5 DGBDMO O=[N+]([O-])c1cc(Cl)ccc1C[NH+]1CCC([C@H]2CCOC2)CC1 ZINC000364941326 287077762 /nfs/dbraw/zinc/07/77/62/287077762.db2.gz GALFNGSPSNQXEL-AWEZNQCLSA-N 1 1 324.808 3.497 20 5 DGBDMO CC[C@H]1[C@H](C)CC[N@H+]1CCC(=O)Nc1cccc([N+](=O)[O-])c1C ZINC000185653068 165011114 /nfs/dbraw/zinc/01/11/14/165011114.db2.gz SLLBQBYFTLBIMZ-DOMZBBRYSA-N 1 1 319.405 3.352 20 5 DGBDMO C[C@@H]1CSCC[N@@H+](CCCOc2ccc([N+](=O)[O-])cc2)C1 ZINC000190468303 432161132 /nfs/dbraw/zinc/16/11/32/432161132.db2.gz JRWYPLQUFRCDCK-ZDUSSCGKSA-N 1 1 310.419 3.049 20 5 DGBDMO C[C@@H]1CSCC[N@@H+](Cc2ccc([N+](=O)[O-])cc2Cl)C1 ZINC000190425493 432155346 /nfs/dbraw/zinc/15/53/46/432155346.db2.gz SDXWDKXMZHDUNC-JTQLQIEISA-N 1 1 300.811 3.433 20 5 DGBDMO C[C@]1(O)CCC[N@@H+](Cc2ccc(-c3cccc([N+](=O)[O-])c3)o2)C1 ZINC000129509654 196053863 /nfs/dbraw/zinc/05/38/63/196053863.db2.gz MFOUCYHRECWNAF-KRWDZBQOSA-N 1 1 316.357 3.202 20 5 DGBDMO CCOc1ccc([N+](=O)[O-])cc1C[N@H+]1CCSC[C@@H](C)C1 ZINC000190452125 432159030 /nfs/dbraw/zinc/15/90/30/432159030.db2.gz LTKQXFFHQQBJCG-LBPRGKRZSA-N 1 1 310.419 3.178 20 5 DGBDMO C[N@@H+](Cc1ccccc1[N+](=O)[O-])Cc1cc2ccccc2[nH]c1=O ZINC000171916584 432182242 /nfs/dbraw/zinc/18/22/42/432182242.db2.gz UUJHSEZWCBPHBM-UHFFFAOYSA-N 1 1 323.352 3.481 20 5 DGBDMO C[N@H+](Cc1ccccc1[N+](=O)[O-])Cc1cc2ccccc2[nH]c1=O ZINC000171916584 432182246 /nfs/dbraw/zinc/18/22/46/432182246.db2.gz UUJHSEZWCBPHBM-UHFFFAOYSA-N 1 1 323.352 3.481 20 5 DGBDMO Cc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@@H+]1CCC[C@@H](C)[C@H]1C ZINC000246942684 432182751 /nfs/dbraw/zinc/18/27/51/432182751.db2.gz QVGPCVKSGLRFSP-TZMCWYRMSA-N 1 1 319.405 3.352 20 5 DGBDMO C[N@@H+](Cc1ccccc1Cl)C[C@H](O)c1cccc([N+](=O)[O-])c1 ZINC000269675766 432195749 /nfs/dbraw/zinc/19/57/49/432195749.db2.gz BWTPCWFMMLPWBT-INIZCTEOSA-N 1 1 320.776 3.414 20 5 DGBDMO C[N@H+](Cc1ccccc1Cl)C[C@H](O)c1cccc([N+](=O)[O-])c1 ZINC000269675766 432195752 /nfs/dbraw/zinc/19/57/52/432195752.db2.gz BWTPCWFMMLPWBT-INIZCTEOSA-N 1 1 320.776 3.414 20 5 DGBDMO C[N@@H+](Cc1ccc(F)cc1F)C[C@@H](O)c1cccc([N+](=O)[O-])c1 ZINC000269680543 432197108 /nfs/dbraw/zinc/19/71/08/432197108.db2.gz RHCXDWNOXAJINA-MRXNPFEDSA-N 1 1 322.311 3.038 20 5 DGBDMO C[N@H+](Cc1ccc(F)cc1F)C[C@@H](O)c1cccc([N+](=O)[O-])c1 ZINC000269680543 432197111 /nfs/dbraw/zinc/19/71/11/432197111.db2.gz RHCXDWNOXAJINA-MRXNPFEDSA-N 1 1 322.311 3.038 20 5 DGBDMO O=[N+]([O-])c1cccc([C@H](O)C[N@H+]2CCC[C@H]2c2ccccc2)c1 ZINC000269687172 432197414 /nfs/dbraw/zinc/19/74/14/432197414.db2.gz SXSHSGUAKRZKKY-ZWKOTPCHSA-N 1 1 312.369 3.465 20 5 DGBDMO CCC[N@H+]1CC[C@@H](CN[C@@H](C)c2cccc([N+](=O)[O-])c2C)C1 ZINC000151117224 432221208 /nfs/dbraw/zinc/22/12/08/432221208.db2.gz CFJAEFSWEFTVPU-GJZGRUSLSA-N 1 1 305.422 3.286 20 5 DGBDMO Cc1ccc(C)c([C@H]2CCC[N@H+]2CCn2ccc([N+](=O)[O-])n2)c1 ZINC000133794166 196336530 /nfs/dbraw/zinc/33/65/30/196336530.db2.gz OKQSRZVSZWXZRO-MRXNPFEDSA-N 1 1 314.389 3.245 20 5 DGBDMO Cc1ccccc1CC[N@H+](C)C[C@@H](O)c1cccc([N+](=O)[O-])c1 ZINC000295776118 225223008 /nfs/dbraw/zinc/22/30/08/225223008.db2.gz SZMHNOTUVWIRPC-GOSISDBHSA-N 1 1 314.385 3.111 20 5 DGBDMO Cc1cc(N[C@@H](C)[C@H]2CCC[N@H+](C3CCC3)C2)ncc1[N+](=O)[O-] ZINC000302065247 230075593 /nfs/dbraw/zinc/07/55/93/230075593.db2.gz VUUIKRXNUJFTBE-KBPBESRZSA-N 1 1 318.421 3.363 20 5 DGBDMO Cc1cc(NC[C@@H]2CCC[N@@H+](C)C2)c2cc([N+](=O)[O-])ccc2n1 ZINC000302196564 230153041 /nfs/dbraw/zinc/15/30/41/230153041.db2.gz SRVMAGFKSYCHSB-ZDUSSCGKSA-N 1 1 314.389 3.205 20 5 DGBDMO Cc1cc(NC[C@@H]2CCC[N@H+](C)C2)c2cc([N+](=O)[O-])ccc2n1 ZINC000302196564 230153046 /nfs/dbraw/zinc/15/30/46/230153046.db2.gz SRVMAGFKSYCHSB-ZDUSSCGKSA-N 1 1 314.389 3.205 20 5 DGBDMO Cc1cccc(NCCc2cn3c([nH+]2)CCCC3)c1[N+](=O)[O-] ZINC000302642344 230328875 /nfs/dbraw/zinc/32/88/75/230328875.db2.gz IMCIMMACFPZPCP-UHFFFAOYSA-N 1 1 300.362 3.091 20 5 DGBDMO CCc1ccc([C@H]([NH2+][C@@H]2CCOC2)c2ccc([N+](=O)[O-])cc2)o1 ZINC000346618272 264066992 /nfs/dbraw/zinc/06/69/92/264066992.db2.gz FLOPWKBRDLDFSB-CXAGYDPISA-N 1 1 316.357 3.218 20 5 DGBDMO O=[N+]([O-])c1ccc2c(c1)C[N@@H+](Cc1cccc3c1NCC3)CC2 ZINC000346842773 264107022 /nfs/dbraw/zinc/10/70/22/264107022.db2.gz IXVXHOXPLWOYRI-UHFFFAOYSA-N 1 1 309.369 3.121 20 5 DGBDMO O=[N+]([O-])c1ccc2c(c1)C[N@H+](Cc1cccc3c1NCC3)CC2 ZINC000346842773 264107023 /nfs/dbraw/zinc/10/70/23/264107023.db2.gz IXVXHOXPLWOYRI-UHFFFAOYSA-N 1 1 309.369 3.121 20 5 DGBDMO CC[C@H]([NH2+]Cc1c([N+](=O)[O-])ncn1C)c1ccc(Cl)s1 ZINC000347634147 264256665 /nfs/dbraw/zinc/25/66/65/264256665.db2.gz JFSDBTNSBBBMET-QMMMGPOBSA-N 1 1 314.798 3.284 20 5 DGBDMO COc1cc([C@H](C)[NH2+]Cc2cccc([N+](=O)[O-])c2C)c(F)cn1 ZINC000348315663 264388001 /nfs/dbraw/zinc/38/80/01/264388001.db2.gz UTBCDNRGUIXYTA-NSHDSACASA-N 1 1 319.336 3.297 20 5 DGBDMO O=[N+]([O-])c1ccc(N2CCC(c3[nH]cc[nH+]3)CC2)c2ncccc12 ZINC000350737632 264656697 /nfs/dbraw/zinc/65/66/97/264656697.db2.gz QWKRVQZLSXHGPR-UHFFFAOYSA-N 1 1 323.356 3.250 20 5 DGBDMO O=[N+]([O-])c1cc(F)c(C[NH2+][C@H]2CCC[C@@H]2OC(F)F)c(F)c1 ZINC000352375810 265024022 /nfs/dbraw/zinc/02/40/22/265024022.db2.gz FJFJKMNCNLGCJC-RYUDHWBXSA-N 1 1 322.258 3.123 20 5 DGBDMO CCC[N@@H+](CC)C[C@@H](C)NC(=O)Nc1ccc(C)c([N+](=O)[O-])c1 ZINC000352393039 265031103 /nfs/dbraw/zinc/03/11/03/265031103.db2.gz XXPJQQQTWXWXEE-CYBMUJFWSA-N 1 1 322.409 3.145 20 5 DGBDMO Cc1cnn([C@H]2CC[N@H+](Cc3c(Cl)cccc3[N+](=O)[O-])C2)c1 ZINC000352422189 265043648 /nfs/dbraw/zinc/04/36/48/265043648.db2.gz HWKASJVUMSWHTO-LBPRGKRZSA-N 1 1 320.780 3.200 20 5 DGBDMO Cc1cnn([C@H]2CC[N@@H+](Cc3c(Cl)cccc3[N+](=O)[O-])C2)c1 ZINC000352422189 265043650 /nfs/dbraw/zinc/04/36/50/265043650.db2.gz HWKASJVUMSWHTO-LBPRGKRZSA-N 1 1 320.780 3.200 20 5 DGBDMO CO[C@@H]1[C@H]2C[C@H]3C[N@@H+](Cc4c(Cl)cccc4[N+](=O)[O-])[C@H]1[C@H]3C2 ZINC000352682950 265128154 /nfs/dbraw/zinc/12/81/54/265128154.db2.gz RTXREWVTWGYXGH-WQFFQYHTSA-N 1 1 322.792 3.103 20 5 DGBDMO O=[N+]([O-])c1cccc(-c2ccc(C[N@@H+](CCO)CC3CC3)o2)c1 ZINC000352756386 265154719 /nfs/dbraw/zinc/15/47/19/265154719.db2.gz PWPFVHLNDSXUMC-UHFFFAOYSA-N 1 1 316.357 3.059 20 5 DGBDMO C[C@@H]1CC[C@@H](c2ccccc2)[N@@H+](CCn2ccc([N+](=O)[O-])n2)C1 ZINC000352791833 265169707 /nfs/dbraw/zinc/16/97/07/265169707.db2.gz JGZOKBMKTSGASA-ZBFHGGJFSA-N 1 1 314.389 3.265 20 5 DGBDMO C[C@H](c1cccc([N+](=O)[O-])c1)[N@H+]1CC[C@H](COC(F)F)C1 ZINC000353017272 265267096 /nfs/dbraw/zinc/26/70/96/265267096.db2.gz BROHBFAILQCPOC-MNOVXSKESA-N 1 1 300.305 3.217 20 5 DGBDMO O=[N+]([O-])c1ccc(C[N@@H+]2CC[C@H](COC(F)F)C2)c(Cl)c1 ZINC000353019392 265267375 /nfs/dbraw/zinc/26/73/75/265267375.db2.gz GLRGFQUQPZUOOZ-VIFPVBQESA-N 1 1 320.723 3.309 20 5 DGBDMO O=[N+]([O-])c1ccc(C[N@H+]2CC[C@H](COC(F)F)C2)c(Cl)c1 ZINC000353019392 265267380 /nfs/dbraw/zinc/26/73/80/265267380.db2.gz GLRGFQUQPZUOOZ-VIFPVBQESA-N 1 1 320.723 3.309 20 5 DGBDMO CC[C@@H](Cc1ccc(C)cc1)[N@@H+](C)Cc1c([N+](=O)[O-])ncn1C ZINC000355341620 266044022 /nfs/dbraw/zinc/04/40/22/266044022.db2.gz XICAUVHZERBJPX-HNNXBMFYSA-N 1 1 316.405 3.090 20 5 DGBDMO Cc1cc(NC(=O)c2cccc([N+](=O)[O-])c2C)cn2cc[nH+]c12 ZINC000355412176 266066597 /nfs/dbraw/zinc/06/65/97/266066597.db2.gz AKEHIHHEYRNUPF-UHFFFAOYSA-N 1 1 310.313 3.112 20 5 DGBDMO CC(C)[C@]1(CO)CC[N@@H+](Cc2ccc(Cl)c([N+](=O)[O-])c2)C1 ZINC000368054203 271124629 /nfs/dbraw/zinc/12/46/29/271124629.db2.gz CUZLCQGUXIEXBX-OAHLLOKOSA-N 1 1 312.797 3.089 20 5 DGBDMO COC[C@@H]1CCCC[N@@H+](C/C=C/c2ccccc2[N+](=O)[O-])C1 ZINC000368658481 271188309 /nfs/dbraw/zinc/18/83/09/271188309.db2.gz JHQJXCWZMSMKFV-RZIFZGNASA-N 1 1 304.390 3.357 20 5 DGBDMO C[N@H+]1CCCC12CCN(c1ccc(Cl)cc1[N+](=O)[O-])CC2 ZINC000368882153 271217991 /nfs/dbraw/zinc/21/79/91/271217991.db2.gz LUAINRLZTOBDBG-UHFFFAOYSA-N 1 1 309.797 3.313 20 5 DGBDMO COc1ncccc1C[NH2+][C@@H]1CCCc2ccc([N+](=O)[O-])cc21 ZINC000192651969 274170470 /nfs/dbraw/zinc/17/04/70/274170470.db2.gz PMISSDSXKUZMQQ-MRXNPFEDSA-N 1 1 313.357 3.166 20 5 DGBDMO C[C@@H](CCNc1ncc([N+](=O)[O-])s1)[N@@H+](C)Cc1ccccc1 ZINC000192474425 274209928 /nfs/dbraw/zinc/20/99/28/274209928.db2.gz GQJMEOFTDKAITE-LBPRGKRZSA-N 1 1 320.418 3.374 20 5 DGBDMO O=[N+]([O-])c1ccccc1C[N@@H+](CCc1cscn1)C1CC1 ZINC000450597748 275039811 /nfs/dbraw/zinc/03/98/11/275039811.db2.gz HYKMRHFSXILKCM-UHFFFAOYSA-N 1 1 303.387 3.258 20 5 DGBDMO O=[N+]([O-])c1ccc(NC[C@H]2CCC[N@H+]2CC2CCCCC2)nc1 ZINC000524684993 429631493 /nfs/dbraw/zinc/63/14/93/429631493.db2.gz PVYSSYOHPACSKS-OAHLLOKOSA-N 1 1 318.421 3.446 20 5 DGBDMO CC(C)c1ccc(C[NH2+][C@@H](CN)C2CCCC2)cc1[N+](=O)[O-] ZINC000415064474 276053462 /nfs/dbraw/zinc/05/34/62/276053462.db2.gz KTAFHBJXPSPQIK-INIZCTEOSA-N 1 1 305.422 3.325 20 5 DGBDMO CC[N@H+](CCN[C@H]1CCCc2ccc([N+](=O)[O-])cc21)C1CC1 ZINC000192803342 276132208 /nfs/dbraw/zinc/13/22/08/276132208.db2.gz SAOJTHZSDRUAFP-KRWDZBQOSA-N 1 1 303.406 3.046 20 5 DGBDMO CC[N@@H+](CCN[C@H]1CCCc2ccc([N+](=O)[O-])cc21)C1CC1 ZINC000192803342 276132209 /nfs/dbraw/zinc/13/22/09/276132209.db2.gz SAOJTHZSDRUAFP-KRWDZBQOSA-N 1 1 303.406 3.046 20 5 DGBDMO CC[N@@H+]1CC[C@@H](CN[C@@H]2CC(C)(C)c3ccc([N+](=O)[O-])cc32)C1 ZINC000279214407 276212392 /nfs/dbraw/zinc/21/23/92/276212392.db2.gz YNSDUPQWDZYPLB-SUMWQHHRSA-N 1 1 317.433 3.249 20 5 DGBDMO CC[N@H+]1CC[C@@H](CN[C@@H]2CC(C)(C)c3ccc([N+](=O)[O-])cc32)C1 ZINC000279214407 276212394 /nfs/dbraw/zinc/21/23/94/276212394.db2.gz YNSDUPQWDZYPLB-SUMWQHHRSA-N 1 1 317.433 3.249 20 5 DGBDMO CCc1nc(C)c(C[NH2+]C(C)(C)c2ccccc2[N+](=O)[O-])o1 ZINC000429236064 276685913 /nfs/dbraw/zinc/68/59/13/276685913.db2.gz KRQAXCFHASINDY-UHFFFAOYSA-N 1 1 303.362 3.479 20 5 DGBDMO COC[C@@H]([NH2+]Cc1ccc([N+](=O)[O-])cc1)c1ccc(F)cc1 ZINC000342340088 277569940 /nfs/dbraw/zinc/56/99/40/277569940.db2.gz PBSCJCCJHYPZCU-MRXNPFEDSA-N 1 1 304.321 3.211 20 5 DGBDMO CCCO[C@@H]1CCC[N@@H+](CCOc2cccc([N+](=O)[O-])c2)CC1 ZINC000108392856 431137264 /nfs/dbraw/zinc/13/72/64/431137264.db2.gz YOMLKEQEMLHEBC-MRXNPFEDSA-N 1 1 322.405 3.255 20 5 DGBDMO Cc1cc([N+](=O)[O-])ccc1NC(=O)C[N@H+](CC(C)C)C(C)C ZINC000072561031 431339441 /nfs/dbraw/zinc/33/94/41/431339441.db2.gz MSQCQYWNLCUEPP-UHFFFAOYSA-N 1 1 307.394 3.208 20 5 DGBDMO Cc1cc([N+](=O)[O-])ccc1NC(=O)C[N@H+](CCC(C)C)C1CC1 ZINC000072559794 431340759 /nfs/dbraw/zinc/34/07/59/431340759.db2.gz NPQKOZOMPYMJQL-UHFFFAOYSA-N 1 1 319.405 3.352 20 5 DGBDMO O=[N+]([O-])c1ccc(CC[N@H+]2CC3(CCC3)[C@H]2[C@H]2CCCO2)cc1 ZINC000289661888 280362861 /nfs/dbraw/zinc/36/28/61/280362861.db2.gz UJQJMLCJZHETET-IAGOWNOFSA-N 1 1 316.401 3.171 20 5 DGBDMO C[C@@H](Cc1ccc(O)cc1)[N@@H+](C)Cc1cccc([N+](=O)[O-])c1 ZINC000119425809 431689851 /nfs/dbraw/zinc/68/98/51/431689851.db2.gz DTHVPOCYSLVAEO-ZDUSSCGKSA-N 1 1 300.358 3.363 20 5 DGBDMO CC(C)CO[C@H]1CC[N@@H+](CCCOc2ccc([N+](=O)[O-])cc2)C1 ZINC000119551482 431707657 /nfs/dbraw/zinc/70/76/57/431707657.db2.gz GWRGXFIKKSLRPD-KRWDZBQOSA-N 1 1 322.405 3.111 20 5 DGBDMO CC[C@H]1CCC[N@H+]([C@@H](C)C(=O)Nc2cccc([N+](=O)[O-])c2C)C1 ZINC000030144797 431734240 /nfs/dbraw/zinc/73/42/40/431734240.db2.gz PIEYCNWWGWLZIQ-KBPBESRZSA-N 1 1 319.405 3.352 20 5 DGBDMO C[C@@H]1CC[C@H](C)[N@H+]1CC(=O)Nc1ccc(Cl)cc1[N+](=O)[O-] ZINC000123463090 431865587 /nfs/dbraw/zinc/86/55/87/431865587.db2.gz SMPDWUXVWPBZSK-AOOOYVTPSA-N 1 1 311.769 3.060 20 5 DGBDMO C[C@@H]1CC[C@H](C)[N@@H+]1CC(=O)Nc1ccc(Cl)cc1[N+](=O)[O-] ZINC000123463090 431865590 /nfs/dbraw/zinc/86/55/90/431865590.db2.gz SMPDWUXVWPBZSK-AOOOYVTPSA-N 1 1 311.769 3.060 20 5 DGBDMO CC(C)c1ccc(C[N@H+]2CC[C@]3(CCOC3)C2)cc1[N+](=O)[O-] ZINC000093820393 431917786 /nfs/dbraw/zinc/91/77/86/431917786.db2.gz GSOWYNYBIIQABC-KRWDZBQOSA-N 1 1 304.390 3.331 20 5 DGBDMO O=[N+]([O-])c1ccc(C[N@H+](CCO)C2CCCCC2)c(Cl)c1 ZINC000050106576 431946918 /nfs/dbraw/zinc/94/69/18/431946918.db2.gz JJTQDZYBOCISMV-UHFFFAOYSA-N 1 1 312.797 3.375 20 5 DGBDMO C[N@@H+](Cc1ccc(-c2ccc([N+](=O)[O-])cc2)o1)CC(C)(C)O ZINC000126391659 431949038 /nfs/dbraw/zinc/94/90/38/431949038.db2.gz BQNDCVBSDHAXDD-UHFFFAOYSA-N 1 1 304.346 3.058 20 5 DGBDMO COc1ccccc1C[N@@H+](C)CCOc1ccccc1[N+](=O)[O-] ZINC000051372944 431950906 /nfs/dbraw/zinc/95/09/06/431950906.db2.gz RWZYATOPPHTURY-UHFFFAOYSA-N 1 1 316.357 3.114 20 5 DGBDMO C[N@@H+](CC(=O)Nc1ccc([N+](=O)[O-])cc1Cl)C1CCCC1 ZINC000053814166 431965644 /nfs/dbraw/zinc/96/56/44/431965644.db2.gz HXPWLUNMHVMACC-UHFFFAOYSA-N 1 1 311.769 3.061 20 5 DGBDMO Cc1cccc([N+](=O)[O-])c1N1CCC(Cc2[nH+]ccn2C)CC1 ZINC000160690858 281259075 /nfs/dbraw/zinc/25/90/75/281259075.db2.gz NLQLHSODZRZAQJ-UHFFFAOYSA-N 1 1 314.389 3.096 20 5 DGBDMO CC(C)[N@@H+]1C[C@@H](C)[C@H](N[C@@H]2CCCc3ccc([N+](=O)[O-])cc32)C1 ZINC000248829335 432323079 /nfs/dbraw/zinc/32/30/79/432323079.db2.gz GZXPFINDAJCZQM-FSPWUOQZSA-N 1 1 317.433 3.291 20 5 DGBDMO CC(C)[N@H+]1C[C@@H](C)[C@H](N[C@@H]2CCCc3ccc([N+](=O)[O-])cc32)C1 ZINC000248829335 432323083 /nfs/dbraw/zinc/32/30/83/432323083.db2.gz GZXPFINDAJCZQM-FSPWUOQZSA-N 1 1 317.433 3.291 20 5 DGBDMO CCOc1ccc([N+](=O)[O-])cc1C[N@H+]1CCS[C@@H](C)CC1 ZINC000192184092 432342516 /nfs/dbraw/zinc/34/25/16/432342516.db2.gz KNDIOTLZYTXZSO-LBPRGKRZSA-N 1 1 310.419 3.321 20 5 DGBDMO CC[C@]1(CO)CCC[N@H+]([C@H](C)c2cc([N+](=O)[O-])ccc2C)C1 ZINC000249593919 432352461 /nfs/dbraw/zinc/35/24/61/432352461.db2.gz WFJOLTVUKLTTJV-PBHICJAKSA-N 1 1 306.406 3.449 20 5 DGBDMO O=[N+]([O-])c1cnn(CC[N@H+]2CCC[C@H]2c2cccc(Cl)c2)c1 ZINC000174823145 432373563 /nfs/dbraw/zinc/37/35/63/432373563.db2.gz KDPPRCQQKVNPOL-HNNXBMFYSA-N 1 1 320.780 3.282 20 5 DGBDMO C[C@H]1C[C@H](Nc2ncc([N+](=O)[O-])s2)C[N@H+]1Cc1ccccc1 ZINC000192486448 432380127 /nfs/dbraw/zinc/38/01/27/432380127.db2.gz JWHPETSYUBTYNA-AAEUAGOBSA-N 1 1 318.402 3.126 20 5 DGBDMO C[N@@H+](CCc1ccccn1)Cc1ccc(Cl)cc1[N+](=O)[O-] ZINC000153058192 432381237 /nfs/dbraw/zinc/38/12/37/432381237.db2.gz FBJPKLZPCYPYEK-UHFFFAOYSA-N 1 1 305.765 3.318 20 5 DGBDMO C[C@H]1CC[N@@H+](C[C@@H](O)c2cccc([N+](=O)[O-])c2)CC12CCC2 ZINC000271408294 432389307 /nfs/dbraw/zinc/38/93/07/432389307.db2.gz YDKMUWVOWYTWNK-XJKSGUPXSA-N 1 1 304.390 3.140 20 5 DGBDMO C[C@@H]1CCCC[C@@H]1[N@@H+](C)CC(=O)Nc1ccccc1[N+](=O)[O-] ZINC000192623274 432393665 /nfs/dbraw/zinc/39/36/65/432393665.db2.gz LVIVOVSUQTXHAI-OCCSQVGLSA-N 1 1 305.378 3.044 20 5 DGBDMO C[C@H]1CCCC[C@H]1[N@@H+](C)CC(=O)N(C)c1ccc([N+](=O)[O-])cc1 ZINC000192630605 432394789 /nfs/dbraw/zinc/39/47/89/432394789.db2.gz PPTHVWQXEVFNQJ-XJKSGUPXSA-N 1 1 319.405 3.068 20 5 DGBDMO CC(C)OC(=O)C[C@@H]1CCC[N@@H+](Cc2cccc([N+](=O)[O-])c2)C1 ZINC000184474735 432396505 /nfs/dbraw/zinc/39/65/05/432396505.db2.gz PDCGBUFOGMMGGQ-HNNXBMFYSA-N 1 1 320.389 3.149 20 5 DGBDMO C[C@H](C(=O)Nc1ccccc1[N+](=O)[O-])[N@H+]1CCC[C@H](C)CC1 ZINC000249842744 432359265 /nfs/dbraw/zinc/35/92/65/432359265.db2.gz YHUJUZXJOAEXMY-QWHCGFSZSA-N 1 1 305.378 3.044 20 5 DGBDMO CC[C@@H]1CC[C@@H](C)[N@H+]1Cc1cc([N+](=O)[O-])cc2c1OCOC2 ZINC000271532714 432417241 /nfs/dbraw/zinc/41/72/41/432417241.db2.gz MNUJFCAODJJRDG-BXUZGUMPSA-N 1 1 306.362 3.224 20 5 DGBDMO CCn1cc([C@@H](C)[NH2+]Cc2ccc([N+](=O)[O-])cc2Cl)cn1 ZINC000184666202 432419503 /nfs/dbraw/zinc/41/95/03/432419503.db2.gz QBOXEEJHQMJPOO-SNVBAGLBSA-N 1 1 308.769 3.315 20 5 DGBDMO Cc1ccc([C@H]2CCCC[N@H+]2CCn2ccc([N+](=O)[O-])n2)cc1 ZINC000176262256 432505207 /nfs/dbraw/zinc/50/52/07/432505207.db2.gz NLDNRZNUDCMFQS-MRXNPFEDSA-N 1 1 314.389 3.327 20 5 DGBDMO O=[N+]([O-])c1cccc(-c2ccc(C[N@@H+]3CCC[C@@H](CO)C3)o2)c1 ZINC000154587445 432507235 /nfs/dbraw/zinc/50/72/35/432507235.db2.gz LEJKDDFVQFTSCF-CYBMUJFWSA-N 1 1 316.357 3.059 20 5 DGBDMO O=[N+]([O-])c1cc(C[N@H+]2CC[C@H]3OCCC[C@@H]3C2)ccc1Cl ZINC000155476275 432557182 /nfs/dbraw/zinc/55/71/82/432557182.db2.gz QEXDYCXNUHICPV-IUODEOHRSA-N 1 1 310.781 3.249 20 5 DGBDMO CC[C@@H]1[C@H](C)CC[N@H+]1Cc1nnc(-c2ccc([N+](=O)[O-])cc2)o1 ZINC000185605545 432514910 /nfs/dbraw/zinc/51/49/10/432514910.db2.gz YCVOTZYBQQGORO-BXUZGUMPSA-N 1 1 316.361 3.265 20 5 DGBDMO Cn1ccnc1[C@H]([NH2+][C@@H]1CC=CCC1)c1ccc([N+](=O)[O-])cc1 ZINC000272536196 432519773 /nfs/dbraw/zinc/51/97/73/432519773.db2.gz OCSZEBRUVSNFMG-GDBMZVCRSA-N 1 1 312.373 3.116 20 5 DGBDMO C[C@H](O)[C@@H]1CC[N@@H+](Cc2ccc(-c3ccccc3[N+](=O)[O-])o2)C1 ZINC000272578025 432528057 /nfs/dbraw/zinc/52/80/57/432528057.db2.gz XMEDHKOGQUWENR-QWHCGFSZSA-N 1 1 316.357 3.058 20 5 DGBDMO CCOC(=O)[C@@]1(C(C)C)CC[N@@H+](Cc2ccccc2[N+](=O)[O-])C1 ZINC000194876037 432583824 /nfs/dbraw/zinc/58/38/24/432583824.db2.gz XLIPEZRMDZNDCE-KRWDZBQOSA-N 1 1 320.389 3.006 20 5 DGBDMO COc1ccc(C[N@H+]2CCS[C@H]3CCCC[C@@H]32)cc1[N+](=O)[O-] ZINC000177209814 432597306 /nfs/dbraw/zinc/59/73/06/432597306.db2.gz DBPQPTMZHKFCTM-BBRMVZONSA-N 1 1 322.430 3.463 20 5 DGBDMO O=[N+]([O-])c1ccc(OC(F)F)c(C[N@@H+]2CCCSCC2)c1 ZINC000273438542 432598290 /nfs/dbraw/zinc/59/82/90/432598290.db2.gz WARLZEFEIAHEGW-UHFFFAOYSA-N 1 1 318.345 3.135 20 5 DGBDMO O=[N+]([O-])c1ccc(OC(F)F)c(C[N@H+]2CCCSCC2)c1 ZINC000273438542 432598295 /nfs/dbraw/zinc/59/82/95/432598295.db2.gz WARLZEFEIAHEGW-UHFFFAOYSA-N 1 1 318.345 3.135 20 5 DGBDMO C[C@@H]1CC[N@@H+](CCc2ncc(-c3cccc([N+](=O)[O-])c3)o2)C1 ZINC000264206936 432625935 /nfs/dbraw/zinc/62/59/35/432625935.db2.gz RGLQDIMBVQPFHV-GFCCVEGCSA-N 1 1 301.346 3.134 20 5 DGBDMO O=[N+]([O-])c1ccccc1N1CC[NH+](C/C=C\c2ccccc2)CC1 ZINC000212412696 432641345 /nfs/dbraw/zinc/64/13/45/432641345.db2.gz CWVGXFNNULMBMQ-TWGQIWQCSA-N 1 1 323.396 3.430 20 5 DGBDMO CCOC(=O)CCCCC[N@@H+](C)Cc1ccccc1[N+](=O)[O-] ZINC000265430846 432699838 /nfs/dbraw/zinc/69/98/38/432699838.db2.gz FPMXNORDHWYTHK-UHFFFAOYSA-N 1 1 308.378 3.150 20 5 DGBDMO O=[N+]([O-])c1cccc(F)c1C[NH+]1CCC([C@H]2CCCO2)CC1 ZINC000189121416 432765241 /nfs/dbraw/zinc/76/52/41/432765241.db2.gz SPRLFZPSPKMVCK-MRXNPFEDSA-N 1 1 308.353 3.125 20 5 DGBDMO COc1ccc([N+](=O)[O-])cc1C[NH+]1CCC(OC(C)(C)C)CC1 ZINC000162634006 432830215 /nfs/dbraw/zinc/83/02/15/432830215.db2.gz SKEJKAKQSAQHES-UHFFFAOYSA-N 1 1 322.405 3.383 20 5 DGBDMO C[C@H](C[N@H+]1CCC[C@@H](C)C1)N[C@H](C)c1cccc([N+](=O)[O-])c1 ZINC000245455115 432833855 /nfs/dbraw/zinc/83/38/55/432833855.db2.gz HUHWILZLTOHHGR-RBSFLKMASA-N 1 1 305.422 3.366 20 5 DGBDMO C[C@H](CN1CCC[C@@H](C)C1)[NH2+][C@H](C)c1cccc([N+](=O)[O-])c1 ZINC000245455115 432833858 /nfs/dbraw/zinc/83/38/58/432833858.db2.gz HUHWILZLTOHHGR-RBSFLKMASA-N 1 1 305.422 3.366 20 5 DGBDMO CC(C)C[C@@H]1CC[N@H+]([C@H](C)C(=O)Nc2ccccc2[N+](=O)[O-])C1 ZINC000245493702 432837142 /nfs/dbraw/zinc/83/71/42/432837142.db2.gz MAYYXNFPFDTYKU-KGLIPLIRSA-N 1 1 319.405 3.290 20 5 DGBDMO CCOc1ccc([C@@H](C)NCC[N@@H+](C)[C@H](C)CC)cc1[N+](=O)[O-] ZINC000245508732 432837393 /nfs/dbraw/zinc/83/73/93/432837393.db2.gz SNHWJBBYEUQRJJ-ZIAGYGMSSA-N 1 1 323.437 3.374 20 5 DGBDMO CCOc1ccc([C@@H](C)[NH2+]CCN(C)[C@H](C)CC)cc1[N+](=O)[O-] ZINC000245508732 432837396 /nfs/dbraw/zinc/83/73/96/432837396.db2.gz SNHWJBBYEUQRJJ-ZIAGYGMSSA-N 1 1 323.437 3.374 20 5 DGBDMO Cc1n[nH]c(C)c1[C@@H]1CCC[N@@H+]1Cc1ccc([N+](=O)[O-])c(F)c1 ZINC000276267776 432790023 /nfs/dbraw/zinc/79/00/23/432790023.db2.gz CFQDLERPQYSWSD-HNNXBMFYSA-N 1 1 318.352 3.411 20 5 DGBDMO Cc1n[nH]c(C)c1[C@@H]1CCC[N@H+]1Cc1ccc([N+](=O)[O-])c(F)c1 ZINC000276267776 432790025 /nfs/dbraw/zinc/79/00/25/432790025.db2.gz CFQDLERPQYSWSD-HNNXBMFYSA-N 1 1 318.352 3.411 20 5 DGBDMO COc1nc(C)cc(C)c1C[NH2+][C@@H](C)c1cccc([N+](=O)[O-])c1 ZINC000266895023 432795196 /nfs/dbraw/zinc/79/51/96/432795196.db2.gz SFDIGIUVAAGXIE-ZDUSSCGKSA-N 1 1 315.373 3.466 20 5 DGBDMO C[N@H+](Cc1cc(Cl)ccc1[N+](=O)[O-])[C@@H](CO)c1ccccc1 ZINC000267001184 432805711 /nfs/dbraw/zinc/80/57/11/432805711.db2.gz CXPFZYZZPGANFL-INIZCTEOSA-N 1 1 320.776 3.414 20 5 DGBDMO C[N@@H+](Cc1cc(Cl)ccc1[N+](=O)[O-])[C@@H](CO)c1ccccc1 ZINC000267001184 432805715 /nfs/dbraw/zinc/80/57/15/432805715.db2.gz CXPFZYZZPGANFL-INIZCTEOSA-N 1 1 320.776 3.414 20 5 DGBDMO CC[C@@H]1CC[C@@H](C)[N@H+]1CC(=O)Nc1cc([N+](=O)[O-])ccc1C ZINC000330650959 432922938 /nfs/dbraw/zinc/92/29/38/432922938.db2.gz JWOOTNOSQIPBAE-CHWSQXEVSA-N 1 1 305.378 3.105 20 5 DGBDMO COc1ccc(C[N@@H+]2CCCc3occc3C2)cc1[N+](=O)[O-] ZINC000288949946 432907296 /nfs/dbraw/zinc/90/72/96/432907296.db2.gz XLSMQQOXKDJURZ-UHFFFAOYSA-N 1 1 302.330 3.145 20 5 DGBDMO COc1ccc(C[N@H+]2CCCc3occc3C2)cc1[N+](=O)[O-] ZINC000288949946 432907298 /nfs/dbraw/zinc/90/72/98/432907298.db2.gz XLSMQQOXKDJURZ-UHFFFAOYSA-N 1 1 302.330 3.145 20 5 DGBDMO CCC[C@]1(CO)CC[N@H+](Cc2cc([N+](=O)[O-])ccc2Cl)C1 ZINC000288939348 432907745 /nfs/dbraw/zinc/90/77/45/432907745.db2.gz WRBNMUWTKVEHKW-HNNXBMFYSA-N 1 1 312.797 3.233 20 5 DGBDMO CCC[C@]1(CO)CC[N@@H+](Cc2cc([N+](=O)[O-])ccc2Cl)C1 ZINC000288939348 432907747 /nfs/dbraw/zinc/90/77/47/432907747.db2.gz WRBNMUWTKVEHKW-HNNXBMFYSA-N 1 1 312.797 3.233 20 5 DGBDMO COC[C@H](C)[N@H+](C)Cc1cc(Cl)cc(Cl)c1[N+](=O)[O-] ZINC000289516373 432966449 /nfs/dbraw/zinc/96/64/49/432966449.db2.gz AXVRVNHZPMKXSR-QMMMGPOBSA-N 1 1 307.177 3.368 20 5 DGBDMO COC[C@H](C)[N@@H+](C)Cc1cc(Cl)cc(Cl)c1[N+](=O)[O-] ZINC000289516373 432966453 /nfs/dbraw/zinc/96/64/53/432966453.db2.gz AXVRVNHZPMKXSR-QMMMGPOBSA-N 1 1 307.177 3.368 20 5 DGBDMO Cc1cc([N+](=O)[O-])c(C)cc1NC(=O)N[C@H](C)C[N@H+](C)C(C)C ZINC000289533665 432967536 /nfs/dbraw/zinc/96/75/36/432967536.db2.gz BIVDAYAAVGPRQF-CYBMUJFWSA-N 1 1 322.409 3.062 20 5 DGBDMO O=[N+]([O-])c1ccc(C[NH2+][C@@H](c2ccccc2)c2cncnc2)cc1 ZINC000349506015 432967902 /nfs/dbraw/zinc/96/79/02/432967902.db2.gz URASSZIGBVWSNL-SFHVURJKSA-N 1 1 320.352 3.264 20 5 DGBDMO CC1CCC([N@@H+](C)Cc2nc3cc([N+](=O)[O-])ccc3[nH]2)CC1 ZINC000332135457 432978032 /nfs/dbraw/zinc/97/80/32/432978032.db2.gz FTDZMQPFBBIOKV-UHFFFAOYSA-N 1 1 302.378 3.482 20 5 DGBDMO C[N@H+](Cc1cc(Cl)cc(Cl)c1[N+](=O)[O-])C[C@H]1CCOC1 ZINC000290124412 432996586 /nfs/dbraw/zinc/99/65/86/432996586.db2.gz YZTYZOBNNMNRRZ-SECBINFHSA-N 1 1 319.188 3.370 20 5 DGBDMO Cc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@H+]1CCC(C)=C(C)C1 ZINC000280225090 433018973 /nfs/dbraw/zinc/01/89/73/433018973.db2.gz APWFDCSERSZXJU-UHFFFAOYSA-N 1 1 317.389 3.274 20 5 DGBDMO CCN1CCC([N@H+](C)C/C=C\c2ccccc2[N+](=O)[O-])CC1 ZINC000350010846 433050265 /nfs/dbraw/zinc/05/02/65/433050265.db2.gz OUXJGVJDCPRVAB-VURMDHGXSA-N 1 1 303.406 3.024 20 5 DGBDMO CCN1CCC([N@@H+](C)C/C=C\c2ccccc2[N+](=O)[O-])CC1 ZINC000350010846 433050268 /nfs/dbraw/zinc/05/02/68/433050268.db2.gz OUXJGVJDCPRVAB-VURMDHGXSA-N 1 1 303.406 3.024 20 5 DGBDMO CCC[C@@]1(CO)CCC[N@H+]1C/C=C/c1ccccc1[N+](=O)[O-] ZINC000446904457 433127383 /nfs/dbraw/zinc/12/73/83/433127383.db2.gz APPPSUPKOXIYAV-JZLODUJNSA-N 1 1 304.390 3.235 20 5 DGBDMO O=[N+]([O-])c1ccc2c(c1)C[N@H+]([C@H]1C[C@@H]1c1ccccc1)CCO2 ZINC000361377379 433142450 /nfs/dbraw/zinc/14/24/50/433142450.db2.gz ONDHGPGNIANDMR-SJORKVTESA-N 1 1 310.353 3.345 20 5 DGBDMO O=[N+]([O-])c1ccc2c(c1)C[N@@H+]([C@H]1C[C@@H]1c1ccccc1)CCO2 ZINC000361377379 433142452 /nfs/dbraw/zinc/14/24/52/433142452.db2.gz ONDHGPGNIANDMR-SJORKVTESA-N 1 1 310.353 3.345 20 5 DGBDMO O=[N+]([O-])c1cccc(C[N@H+]2CC3(CCC3)[C@H]2C2CCOCC2)c1 ZINC000425367640 433209151 /nfs/dbraw/zinc/20/91/51/433209151.db2.gz CLHLIYWNCHXVGR-QGZVFWFLSA-N 1 1 316.401 3.376 20 5 DGBDMO CC1=C(C)C[N@H+](Cc2cc([N+](=O)[O-])cc3c2OCOC3)CC1 ZINC000280789876 433172927 /nfs/dbraw/zinc/17/29/27/433172927.db2.gz HLGRWDJMGZEPAG-UHFFFAOYSA-N 1 1 304.346 3.003 20 5 DGBDMO CC1=C(C)C[N@@H+](Cc2cc([N+](=O)[O-])cc3c2OCOC3)CC1 ZINC000280789876 433172935 /nfs/dbraw/zinc/17/29/35/433172935.db2.gz HLGRWDJMGZEPAG-UHFFFAOYSA-N 1 1 304.346 3.003 20 5 DGBDMO CC(C)c1ccc(C[N@H+]2CCC[C@H](CO)CC2)cc1[N+](=O)[O-] ZINC000354669999 433213684 /nfs/dbraw/zinc/21/36/84/433213684.db2.gz AKUGTTQOERACTI-AWEZNQCLSA-N 1 1 306.406 3.313 20 5 DGBDMO CC(C)(C)OC(=O)[C@@]1(C)CC[N@@H+](Cc2ccccc2[N+](=O)[O-])C1 ZINC000453627189 433249104 /nfs/dbraw/zinc/24/91/04/433249104.db2.gz UYTGDMRMCOJEKI-KRWDZBQOSA-N 1 1 320.389 3.149 20 5 DGBDMO CC[N@@H+](CCn1cc([N+](=O)[O-])cn1)Cc1ccc2ccccc2c1 ZINC000350725533 433264680 /nfs/dbraw/zinc/26/46/80/433264680.db2.gz YEYGPCSGQLVDIF-UHFFFAOYSA-N 1 1 324.384 3.467 20 5 DGBDMO O=[N+]([O-])c1cnn(CC[N@H+]2CCC[C@H]2CC2CCCCC2)c1 ZINC000350733316 433271142 /nfs/dbraw/zinc/27/11/42/433271142.db2.gz ZSXYAMKSBQBHIQ-HNNXBMFYSA-N 1 1 306.410 3.226 20 5 DGBDMO Cc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@@H+]1CC[C@@H](C)C[C@H]1C ZINC000425520516 433280617 /nfs/dbraw/zinc/28/06/17/433280617.db2.gz IKDXOEPLTHYUBJ-TZMCWYRMSA-N 1 1 319.405 3.352 20 5 DGBDMO O=C(C[N@H+]1CC[C@@H](C2CCCC2)C1)Nc1ccccc1[N+](=O)[O-] ZINC000420961869 433357891 /nfs/dbraw/zinc/35/78/91/433357891.db2.gz JGDBDGCESZIVSR-CQSZACIVSA-N 1 1 317.389 3.045 20 5 DGBDMO CC[N@@H+](CCC1CC1)[C@@H](C)C(=O)Nc1cccc([N+](=O)[O-])c1C ZINC000355033540 433426238 /nfs/dbraw/zinc/42/62/38/433426238.db2.gz BOWLWONVXWRBAW-ZDUSSCGKSA-N 1 1 319.405 3.352 20 5 DGBDMO O=[N+]([O-])c1cccc(Cl)c1C[N@H+]1CC[C@@H](O)CC12CCC2 ZINC000421003703 433380341 /nfs/dbraw/zinc/38/03/41/433380341.db2.gz ZIBAEPYSESZEHC-LLVKDONJSA-N 1 1 310.781 3.128 20 5 DGBDMO O=[N+]([O-])c1cccc(Cl)c1C[N@@H+]1CC[C@@H](O)CC12CCC2 ZINC000421003703 433380352 /nfs/dbraw/zinc/38/03/52/433380352.db2.gz ZIBAEPYSESZEHC-LLVKDONJSA-N 1 1 310.781 3.128 20 5 DGBDMO C[C@H](O)C[C@H]1CCCC[N@H+]1C/C=C\c1ccccc1[N+](=O)[O-] ZINC000448357011 433394744 /nfs/dbraw/zinc/39/47/44/433394744.db2.gz WOWIBDCKYGTZMQ-GMRZMDSISA-N 1 1 304.390 3.233 20 5 DGBDMO O=[N+]([O-])c1ccc(NCC[N@H+]2CCc3sccc3C2)cc1 ZINC000301090374 433408756 /nfs/dbraw/zinc/40/87/56/433408756.db2.gz NIBZRLRHZSGWDX-UHFFFAOYSA-N 1 1 303.387 3.127 20 5 DGBDMO CC[N@@H+](CCC1CC1)[C@@H](C)C(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000355029527 433422391 /nfs/dbraw/zinc/42/23/91/433422391.db2.gz AVRZRTVVBFUDCW-LBPRGKRZSA-N 1 1 305.378 3.044 20 5 DGBDMO Cc1[nH+]ccn1-c1ccc(CNc2c(C)cccc2[N+](=O)[O-])cn1 ZINC000301163459 433437560 /nfs/dbraw/zinc/43/75/60/433437560.db2.gz HVJJRAVREUQPAP-UHFFFAOYSA-N 1 1 323.356 3.404 20 5 DGBDMO CCOc1cc(N[C@@H]2CC[N@H+]3CCCC[C@H]23)ccc1[N+](=O)[O-] ZINC000301175093 433441836 /nfs/dbraw/zinc/44/18/36/433441836.db2.gz FUASTCDSRFWERP-ZIAGYGMSSA-N 1 1 305.378 3.032 20 5 DGBDMO Cc1c(C[N@H+]2CCOC[C@H](C3CCC3)C2)cccc1[N+](=O)[O-] ZINC000292080341 433451961 /nfs/dbraw/zinc/45/19/61/433451961.db2.gz FPQBNHRKWPMZBL-MRXNPFEDSA-N 1 1 304.390 3.152 20 5 DGBDMO CCn1ccc(C[NH2+][C@H]2CC(C)(C)c3ccc([N+](=O)[O-])cc32)n1 ZINC000414215441 433465848 /nfs/dbraw/zinc/46/58/48/433465848.db2.gz XWGZNOLSXMXRDD-INIZCTEOSA-N 1 1 314.389 3.323 20 5 DGBDMO C[N@H+]1CC[C@@H](CNc2c(Cl)cc(Cl)cc2[N+](=O)[O-])C1 ZINC000342094389 433466581 /nfs/dbraw/zinc/46/65/81/433466581.db2.gz XYFASUGAVPYVSC-QMMMGPOBSA-N 1 1 304.177 3.265 20 5 DGBDMO CC[C@@H]1CCCC[N@H+]1CCNc1ccc(C(C)=O)cc1[N+](=O)[O-] ZINC000301234440 433462882 /nfs/dbraw/zinc/46/28/82/433462882.db2.gz CHVZUBUMFZTBTH-OAHLLOKOSA-N 1 1 319.405 3.474 20 5 DGBDMO C[C@H](c1ccccc1[N+](=O)[O-])N1CC[N@H+](C2CCC2)C[C@@H](C)C1 ZINC000429363336 290267261 /nfs/dbraw/zinc/26/72/61/290267261.db2.gz COZDRVQJQRWBAE-LSDHHAIUSA-N 1 1 317.433 3.462 20 5 DGBDMO O=[N+]([O-])c1cccc([C@H](O)C[N@H+]2CCC=C(c3ccco3)C2)c1 ZINC000375691177 433529975 /nfs/dbraw/zinc/52/99/75/433529975.db2.gz WFTBLMWXMFJGGF-MRXNPFEDSA-N 1 1 314.341 3.011 20 5 DGBDMO C[C@@H]1C[N@H+](C/C=C\c2ccccc2[N+](=O)[O-])C[C@H](C2CC2)O1 ZINC000355202689 433532300 /nfs/dbraw/zinc/53/23/00/433532300.db2.gz PSNRKRIKTONBIO-DLAIMTSXSA-N 1 1 302.374 3.107 20 5 DGBDMO C[C@@H]1C[N@@H+](C/C=C\c2ccccc2[N+](=O)[O-])C[C@H](C2CC2)O1 ZINC000355202689 433532311 /nfs/dbraw/zinc/53/23/11/433532311.db2.gz PSNRKRIKTONBIO-DLAIMTSXSA-N 1 1 302.374 3.107 20 5 DGBDMO Cc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@H+]1CC[C@@H]2CCC[C@@H]21 ZINC000426453171 433501161 /nfs/dbraw/zinc/50/11/61/433501161.db2.gz CZTHZTYIVPXWFN-BBRMVZONSA-N 1 1 317.389 3.106 20 5 DGBDMO O=C(C[N@H+]1CC[C@@H]2CCC[C@H]21)Nc1ccc(Cl)cc1[N+](=O)[O-] ZINC000426454557 433503406 /nfs/dbraw/zinc/50/34/06/433503406.db2.gz QNKOUTOIWOWSTF-GXFFZTMASA-N 1 1 323.780 3.061 20 5 DGBDMO O=[N+]([O-])c1cccc(-c2noc(C[N@H+]3CC[C@@H]4CCC[C@@H]43)n2)c1 ZINC000426466663 433508147 /nfs/dbraw/zinc/50/81/47/433508147.db2.gz GVLNCMBZGJLAIZ-FZMZJTMJSA-N 1 1 314.345 3.019 20 5 DGBDMO CO[C@@H]1[C@H]2C[C@H]3C[N@@H+](Cc4ccc(Cl)cc4[N+](=O)[O-])[C@H]1[C@H]3C2 ZINC000375746100 433550988 /nfs/dbraw/zinc/55/09/88/433550988.db2.gz WXUPXTNCTJUJTL-GSJWJAIFSA-N 1 1 322.792 3.103 20 5 DGBDMO COCC[N@@H+](Cc1cc([N+](=O)[O-])ccc1OC)[C@H]1CC[C@H](C)C1 ZINC000362157532 433555689 /nfs/dbraw/zinc/55/56/89/433555689.db2.gz PTZJJTXWRQWFDX-ZFWWWQNUSA-N 1 1 322.405 3.240 20 5 DGBDMO Cc1nc(C)c(C[N@@H+](C)CCc2cccc([N+](=O)[O-])c2)s1 ZINC000282338628 433572086 /nfs/dbraw/zinc/57/20/86/433572086.db2.gz BPLDBMZWZGRNDU-UHFFFAOYSA-N 1 1 305.403 3.343 20 5 DGBDMO C[N@H+]1CCC[C@]2(CCN(Cc3ccc(Cl)cc3[N+](=O)[O-])C2)C1 ZINC000339438919 433587047 /nfs/dbraw/zinc/58/70/47/433587047.db2.gz QWBHRLLQIMMSQA-INIZCTEOSA-N 1 1 323.824 3.166 20 5 DGBDMO C[C@H]1C[C@@H](Nc2ccc([N+](=O)[O-])cn2)C[N@H+]1Cc1ccccc1 ZINC000301614656 433639411 /nfs/dbraw/zinc/63/94/11/433639411.db2.gz IHAMYHDKPYAKIM-DZGCQCFKSA-N 1 1 312.373 3.065 20 5 DGBDMO C/C(=C/c1cccc([N+](=O)[O-])c1)C[N@H+]1CCCO[C@@H](CF)C1 ZINC000414478883 433646944 /nfs/dbraw/zinc/64/69/44/433646944.db2.gz QEIDZXQWVOFHAB-RQPMMQJISA-N 1 1 308.353 3.059 20 5 DGBDMO C[N@@H+](CCNc1cccc(F)c1[N+](=O)[O-])Cc1ccc(F)cc1 ZINC000301571292 433618459 /nfs/dbraw/zinc/61/84/59/433618459.db2.gz WYKFEEDERVMCCK-UHFFFAOYSA-N 1 1 321.327 3.417 20 5 DGBDMO Cc1cccc(N2CCC[C@@H](c3[nH+]ccn3C)C2)c1[N+](=O)[O-] ZINC000375947721 433622618 /nfs/dbraw/zinc/62/26/18/433622618.db2.gz MEWPBDWDSBAQMU-CYBMUJFWSA-N 1 1 300.362 3.021 20 5 DGBDMO C[C@@H]1C[C@H](O)C[N@@H+](Cc2ccc(-c3ccccc3[N+](=O)[O-])o2)C1 ZINC000414519804 433682520 /nfs/dbraw/zinc/68/25/20/433682520.db2.gz BRIHBTJWUUTTRQ-OLZOCXBDSA-N 1 1 316.357 3.058 20 5 DGBDMO C[C@@H](CNc1ncc(Cl)cc1[N+](=O)[O-])[N@H+]1CCC[C@@H](C)C1 ZINC000301731533 433700823 /nfs/dbraw/zinc/70/08/23/433700823.db2.gz DWWHQXRVIKJLAG-MNOVXSKESA-N 1 1 312.801 3.176 20 5 DGBDMO O=[N+]([O-])c1cc(F)c(N[C@@H]2CC[N@H+](C3CCCC3)C2)c(F)c1 ZINC000301759705 433711039 /nfs/dbraw/zinc/71/10/39/433711039.db2.gz AXMINCMJACQXDO-SNVBAGLBSA-N 1 1 311.332 3.302 20 5 DGBDMO CC[N@@H+](CCOC)Cc1cc([N+](=O)[O-])ccc1C(F)(F)F ZINC000293470815 433753037 /nfs/dbraw/zinc/75/30/37/433753037.db2.gz LTBKBLAUZJPYLG-UHFFFAOYSA-N 1 1 306.284 3.082 20 5 DGBDMO CCSCC[C@@H](C)[N@@H+](C)CCOc1ccc([N+](=O)[O-])cc1 ZINC000362447690 433723389 /nfs/dbraw/zinc/72/33/89/433723389.db2.gz CWPFYETUKXVKCT-CYBMUJFWSA-N 1 1 312.435 3.437 20 5 DGBDMO Cc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@H+](C)[C@@H]1CC[C@@H](C)C1 ZINC000429582111 433778583 /nfs/dbraw/zinc/77/85/83/433778583.db2.gz ZIRYYWWVSXIZHU-TZMCWYRMSA-N 1 1 319.405 3.352 20 5 DGBDMO CC[C@@H](C)[N@@H+](CCO)Cc1cc([N+](=O)[O-])ccc1C(F)(F)F ZINC000293567517 433786561 /nfs/dbraw/zinc/78/65/61/433786561.db2.gz MREZKQGNYAPOIC-SNVBAGLBSA-N 1 1 320.311 3.206 20 5 DGBDMO COC(=O)CC[N@@H+](C/C=C\c1ccccc1[N+](=O)[O-])CC(C)C ZINC000351979892 433830703 /nfs/dbraw/zinc/83/07/03/433830703.db2.gz YYJAXXNYMYRYLQ-VURMDHGXSA-N 1 1 320.389 3.129 20 5 DGBDMO NC[C@@H]([NH2+]C/C=C\c1ccccc1[N+](=O)[O-])C1CCCCC1 ZINC000414840053 433871412 /nfs/dbraw/zinc/87/14/12/433871412.db2.gz MDGKQGKTHXTWNZ-CXSQMQJXSA-N 1 1 303.406 3.105 20 5 DGBDMO C[C@H](C[NH3+])CNCc1ccc(-c2ccc([N+](=O)[O-])cc2Cl)o1 ZINC000414869633 433897446 /nfs/dbraw/zinc/89/74/46/433897446.db2.gz BADROIBFXDTZNN-SNVBAGLBSA-N 1 1 323.780 3.193 20 5 DGBDMO CC[N@H+]1C[C@@H](C)N(c2ccc([N+](=O)[O-])c3cnccc32)C[C@H]1C ZINC000345173129 433900622 /nfs/dbraw/zinc/90/06/22/433900622.db2.gz MJSVPYVKCRDPQL-CHWSQXEVSA-N 1 1 314.389 3.062 20 5 DGBDMO CC(C)[C@@]1(CO)CC[N@@H+](Cc2ccc(Cl)cc2[N+](=O)[O-])C1 ZINC000377654251 433941701 /nfs/dbraw/zinc/94/17/01/433941701.db2.gz QVCNXGZCYAIVHV-HNNXBMFYSA-N 1 1 312.797 3.089 20 5 DGBDMO Cc1cnn([C@H]2CC[N@H+](Cc3ccc(Cl)cc3[N+](=O)[O-])C2)c1 ZINC000377717380 433975308 /nfs/dbraw/zinc/97/53/08/433975308.db2.gz BSDVYENKDGKQIO-AWEZNQCLSA-N 1 1 320.780 3.200 20 5 DGBDMO Cc1cnn([C@H]2CC[N@@H+](Cc3ccc(Cl)cc3[N+](=O)[O-])C2)c1 ZINC000377717380 433975319 /nfs/dbraw/zinc/97/53/19/433975319.db2.gz BSDVYENKDGKQIO-AWEZNQCLSA-N 1 1 320.780 3.200 20 5 DGBDMO C[C@H](C(=O)Nc1ccc([N+](=O)[O-])cc1)[N@H+]1CCC[C@H](C)CC1 ZINC000357385914 433986355 /nfs/dbraw/zinc/98/63/55/433986355.db2.gz AXJDZYJAPHLHGK-QWHCGFSZSA-N 1 1 305.378 3.044 20 5 DGBDMO O=[N+]([O-])c1ccccc1OCC[N@H+]1CC[C@@H](c2ccco2)C1 ZINC000363503270 434073438 /nfs/dbraw/zinc/07/34/38/434073438.db2.gz BJTAFKCXQKOLAA-CYBMUJFWSA-N 1 1 302.330 3.056 20 5 DGBDMO O=[N+]([O-])c1ccc(C[NH2+][C@H]2COc3c2cccc3Cl)cc1 ZINC000378093824 434082950 /nfs/dbraw/zinc/08/29/50/434082950.db2.gz OLBVLSWXWDGYLF-AWEZNQCLSA-N 1 1 304.733 3.472 20 5 DGBDMO CC[N@H+]1CCC[C@@H](CNc2nccc3c2cccc3[N+](=O)[O-])C1 ZINC000450289266 434085461 /nfs/dbraw/zinc/08/54/61/434085461.db2.gz OPTJVSWXBFLXJL-ZDUSSCGKSA-N 1 1 314.389 3.287 20 5 DGBDMO N[C@H]1CCCCC[C@@H]1[NH2+]CCCCc1ccc([N+](=O)[O-])cc1 ZINC000422918508 434107674 /nfs/dbraw/zinc/10/76/74/434107674.db2.gz IJPOJLRWFHNFPY-IRXDYDNUSA-N 1 1 305.422 3.167 20 5 DGBDMO Cc1nc(C[NH3+])ccc1[C@H](C)N[C@@H](C)c1cccc([N+](=O)[O-])c1 ZINC000422937386 434122300 /nfs/dbraw/zinc/12/23/00/434122300.db2.gz GINJJSNLFGEZFC-RYUDHWBXSA-N 1 1 314.389 3.169 20 5 DGBDMO CC(C)[N@H+](CCc1ccc([N+](=O)[O-])cc1)CC(=O)OC(C)(C)C ZINC000499276788 294082793 /nfs/dbraw/zinc/08/27/93/294082793.db2.gz PGBLPSMESLIDCS-UHFFFAOYSA-N 1 1 322.405 3.189 20 5 DGBDMO CC(C)[N@@H+](CCc1ccc([N+](=O)[O-])cc1)CC(=O)OC(C)(C)C ZINC000499276788 294082795 /nfs/dbraw/zinc/08/27/95/294082795.db2.gz PGBLPSMESLIDCS-UHFFFAOYSA-N 1 1 322.405 3.189 20 5 DGBDMO O=[N+]([O-])c1cccc(C[N@H+]2CC[C@H](COc3ccccc3)C2)c1 ZINC000505820792 294255389 /nfs/dbraw/zinc/25/53/89/294255389.db2.gz UYLVWANTDAMZHK-INIZCTEOSA-N 1 1 312.369 3.496 20 5 DGBDMO C[N@@H+](Cc1c(F)cccc1[N+](=O)[O-])C1Cc2ccccc2C1 ZINC000505892004 294258202 /nfs/dbraw/zinc/25/82/02/294258202.db2.gz UIUGHOHXDSRHIL-UHFFFAOYSA-N 1 1 300.333 3.333 20 5 DGBDMO CCCC[N@@H+](Cc1cc(OC)c(OC)cc1[N+](=O)[O-])C1CC1 ZINC000507242084 294290331 /nfs/dbraw/zinc/29/03/31/294290331.db2.gz CRPPANDBABQOJS-UHFFFAOYSA-N 1 1 308.378 3.377 20 5 DGBDMO Cc1ccc([C@@H](C)NCC[NH+]2CCCCCC2)cc1[N+](=O)[O-] ZINC000316176735 434186259 /nfs/dbraw/zinc/18/62/59/434186259.db2.gz VEQCJVCFDWTRHE-OAHLLOKOSA-N 1 1 305.422 3.430 20 5 DGBDMO Cc1ccc([N+](=O)[O-])cc1[C@H](C)[N@H+]1CC[C@H]([C@@H]2CCOC2)C1 ZINC000378493782 434199937 /nfs/dbraw/zinc/19/99/37/434199937.db2.gz IXWYQNQJROIVPV-SOUVJXGZSA-N 1 1 304.390 3.323 20 5 DGBDMO O=[N+]([O-])c1ccccc1C[N@H+]1CC[C@H](n2ncc3ccccc32)C1 ZINC000378562487 434220079 /nfs/dbraw/zinc/22/00/79/434220079.db2.gz FJGCONSDMXQNJR-INIZCTEOSA-N 1 1 322.368 3.392 20 5 DGBDMO Cc1nc(C[NH3+])ccc1[C@@H](C)N[C@@H](C)c1ccc([N+](=O)[O-])cc1 ZINC000423147415 434248301 /nfs/dbraw/zinc/24/83/01/434248301.db2.gz RZQKSOBATLPKFA-NWDGAFQWSA-N 1 1 314.389 3.169 20 5 DGBDMO O=[N+]([O-])c1ccc(NC[C@H]2CC[N@H+](C3CC3)C2)c2ncccc12 ZINC000320045059 434232355 /nfs/dbraw/zinc/23/23/55/434232355.db2.gz RMQCPLACRFZKMC-GFCCVEGCSA-N 1 1 312.373 3.039 20 5 DGBDMO CCC[C@H](NC[C@@]1(C)CCC[NH2+]C1)c1cccc([N+](=O)[O-])c1 ZINC000423321537 434361412 /nfs/dbraw/zinc/36/14/12/434361412.db2.gz GIEZEOCQKDOGLW-IRXDYDNUSA-N 1 1 305.422 3.415 20 5 DGBDMO CCc1ccc([C@H](NCCCC[NH3+])c2ccc([N+](=O)[O-])cc2)o1 ZINC000423339872 434372303 /nfs/dbraw/zinc/37/23/03/434372303.db2.gz XBIDOJLAGDBBAL-QGZVFWFLSA-N 1 1 317.389 3.168 20 5 DGBDMO C[N@@H+](Cc1ccc(-c2ccccc2[N+](=O)[O-])o1)[C@@H]1CCC[C@@H]1O ZINC000348556391 434400208 /nfs/dbraw/zinc/40/02/08/434400208.db2.gz OYPWAXYIYCJHCW-CVEARBPZSA-N 1 1 316.357 3.200 20 5 DGBDMO CCOc1ccc([C@H](C)[NH2+][C@@H](CN)C2CCCC2)cc1[N+](=O)[O-] ZINC000423512074 434463948 /nfs/dbraw/zinc/46/39/48/434463948.db2.gz UMRWFQBNLHFOEV-WFASDCNBSA-N 1 1 321.421 3.162 20 5 DGBDMO O=[N+]([O-])c1ccc(C[NH+]2CCC3(CC3(F)F)CC2)c(F)c1 ZINC000405074501 434525340 /nfs/dbraw/zinc/52/53/40/434525340.db2.gz AMPMFFNMFVDBGT-UHFFFAOYSA-N 1 1 300.280 3.355 20 5 DGBDMO O=[N+]([O-])c1ccccc1/C=C\C[N@H+]1CC[C@H](COC(F)F)C1 ZINC000348882627 434541580 /nfs/dbraw/zinc/54/15/80/434541580.db2.gz ZBRPSQZOKPERTA-FHMRSRPSSA-N 1 1 312.316 3.169 20 5 DGBDMO CC(C)Oc1ccc([N+](=O)[O-])cc1C[N@@H+]1C[C@@H]2[C@H](C1)C2(C)C ZINC000525636371 295023240 /nfs/dbraw/zinc/02/32/40/295023240.db2.gz TVZPNJSUSQUTAP-GASCZTMLSA-N 1 1 304.390 3.470 20 5 DGBDMO CO[C@H]1C[C@@H]([N@@H+](C)CCc2ccc([N+](=O)[O-])cc2)C12CCC2 ZINC000451849988 434579896 /nfs/dbraw/zinc/57/98/96/434579896.db2.gz LFHJVGOXBKKIAU-CVEARBPZSA-N 1 1 304.390 3.027 20 5 DGBDMO CC[C@H]1C[N@H+](Cc2cc([N+](=O)[O-])ccc2OC(C)C)CCCO1 ZINC000439492429 434616543 /nfs/dbraw/zinc/61/65/43/434616543.db2.gz KUPIDWCCWIKRQV-INIZCTEOSA-N 1 1 322.405 3.383 20 5 DGBDMO CC[C@H]1C[N@@H+](Cc2cc([N+](=O)[O-])ccc2OC(C)C)CCCO1 ZINC000439492429 434616547 /nfs/dbraw/zinc/61/65/47/434616547.db2.gz KUPIDWCCWIKRQV-INIZCTEOSA-N 1 1 322.405 3.383 20 5 DGBDMO C[C@@H](C(=O)Nc1cccc([N+](=O)[O-])c1)[N@H+]1CCCC[C@H](C)C1 ZINC000360598141 434645383 /nfs/dbraw/zinc/64/53/83/434645383.db2.gz NZOQQCSGEYNDDJ-STQMWFEESA-N 1 1 305.378 3.044 20 5 DGBDMO COc1cc(C)[nH+]c(Cn2cc(-c3ccc([N+](=O)[O-])cc3)cn2)c1 ZINC000354246339 434688921 /nfs/dbraw/zinc/68/89/21/434688921.db2.gz VRJXNFXMZGYJRJ-UHFFFAOYSA-N 1 1 324.340 3.219 20 5 DGBDMO CCC(C)(C)CC[N@H+]1CC[C@H](Nc2ccc([N+](=O)[O-])cn2)C1 ZINC000440483522 434706199 /nfs/dbraw/zinc/70/61/99/434706199.db2.gz DBGSVHNBOGVWFZ-ZDUSSCGKSA-N 1 1 306.410 3.302 20 5 DGBDMO Cn1cnc([N+](=O)[O-])c1C[N@H+]1CCCCC[C@@H]1c1ccccc1 ZINC000360852651 434712589 /nfs/dbraw/zinc/71/25/89/434712589.db2.gz VFOWTBKHHCGKMO-OAHLLOKOSA-N 1 1 314.389 3.446 20 5 DGBDMO CCCNC(=O)C[N@@H+](CCC)[C@H](C)c1cc([N+](=O)[O-])ccc1C ZINC000411178746 434739214 /nfs/dbraw/zinc/73/92/14/434739214.db2.gz JZEUVEQPHKIQBL-CQSZACIVSA-N 1 1 321.421 3.202 20 5 DGBDMO COc1ccc([N+](=O)[O-])c(NC[C@H](C)[N@H+]2CCC[C@@H](C)C2)c1 ZINC000360951786 434742423 /nfs/dbraw/zinc/74/24/23/434742423.db2.gz SMWYHVFHRHFOIQ-OLZOCXBDSA-N 1 1 307.394 3.136 20 5 DGBDMO Cc1nn(C)cc1[C@@H]1CCC[N@H+]1Cc1cccc([N+](=O)[O-])c1C ZINC000371944613 434775079 /nfs/dbraw/zinc/77/50/79/434775079.db2.gz WJHGWUOVMAOEPU-KRWDZBQOSA-N 1 1 314.389 3.282 20 5 DGBDMO COC(=O)c1cc(C[NH2+][C@@H](C)c2cccc([N+](=O)[O-])c2)cs1 ZINC000411455964 434783255 /nfs/dbraw/zinc/78/32/55/434783255.db2.gz MBEHNEKEDFEYAF-JTQLQIEISA-N 1 1 320.370 3.294 20 5 DGBDMO CCc1cnccc1[C@H](C)[NH2+]Cc1cc([N+](=O)[O-])ccc1OC ZINC000361132432 434806396 /nfs/dbraw/zinc/80/63/96/434806396.db2.gz POZFBCHLTWEYRA-LBPRGKRZSA-N 1 1 315.373 3.412 20 5 DGBDMO C[C@@H]1CC[C@H]([N@@H+](C)CCC(=O)Nc2ccc([N+](=O)[O-])cc2)C1 ZINC000411630470 434810864 /nfs/dbraw/zinc/81/08/64/434810864.db2.gz IKXBJOTWCQLXGC-DOMZBBRYSA-N 1 1 305.378 3.044 20 5 DGBDMO C[C@H]1CCC(C)(C)[N@H+]1CCC(=O)Nc1ccccc1[N+](=O)[O-] ZINC000411811984 434830338 /nfs/dbraw/zinc/83/03/38/434830338.db2.gz WAMJONFMPSPMSH-LBPRGKRZSA-N 1 1 305.378 3.186 20 5 DGBDMO O=[N+]([O-])c1ccc(OCC[N@H+]2CCSC3(CCC3)CC2)cc1 ZINC000411873076 434840791 /nfs/dbraw/zinc/84/07/91/434840791.db2.gz XDBCUQRNWCTDSZ-UHFFFAOYSA-N 1 1 322.430 3.335 20 5 DGBDMO COc1ccc(CC[N@@H+](C)CCc2cccc([N+](=O)[O-])c2)cc1 ZINC000554848570 434948694 /nfs/dbraw/zinc/94/86/94/434948694.db2.gz NOCBXVZVODTFSR-UHFFFAOYSA-N 1 1 314.385 3.320 20 5 DGBDMO CC1(C)C[N@@H+](CC(=O)Nc2ccccc2[N+](=O)[O-])[C@@H]2CCC[C@H]21 ZINC000555721867 434983271 /nfs/dbraw/zinc/98/32/71/434983271.db2.gz XOXBRHINEMFUHC-TZMCWYRMSA-N 1 1 317.389 3.044 20 5 DGBDMO CC(C)[C@H]1C[N@@H+](C/C=C/c2ccccc2[N+](=O)[O-])CCCO1 ZINC000556981301 435042155 /nfs/dbraw/zinc/04/21/55/435042155.db2.gz XHUPNRGCTGSNMH-ZGRWHYIRSA-N 1 1 304.390 3.355 20 5 DGBDMO CC(C)C[C@H]1CC[N@@H+](CCC(=O)Nc2ccc([N+](=O)[O-])cc2)C1 ZINC000467163409 435109833 /nfs/dbraw/zinc/10/98/33/435109833.db2.gz UAWKSRLUTOOMRV-CQSZACIVSA-N 1 1 319.405 3.291 20 5 DGBDMO CC(C)C[C@H]1CC[N@H+]([C@@H](C)C(=O)Nc2ccc([N+](=O)[O-])cc2)C1 ZINC000467169886 435109865 /nfs/dbraw/zinc/10/98/65/435109865.db2.gz FCKSHGRTVFPNAB-UONOGXRCSA-N 1 1 319.405 3.290 20 5 DGBDMO CC(C)C[C@@H]1CC[N@@H+](CCC(=O)Nc2ccc([N+](=O)[O-])cc2)C1 ZINC000467163408 435110993 /nfs/dbraw/zinc/11/09/93/435110993.db2.gz UAWKSRLUTOOMRV-AWEZNQCLSA-N 1 1 319.405 3.291 20 5 DGBDMO C[C@@H](c1ccccc1[N+](=O)[O-])N1CC[C@@H](C[N@@H+](C)CC2CC2)C1 ZINC000470974144 435135988 /nfs/dbraw/zinc/13/59/88/435135988.db2.gz IUDIMXOFDISXRV-HOCLYGCPSA-N 1 1 317.433 3.320 20 5 DGBDMO CCCN1CCC([NH2+][C@H]2CCc3c2cccc3[N+](=O)[O-])CC1 ZINC000579971646 435196967 /nfs/dbraw/zinc/19/69/67/435196967.db2.gz GKINFUYQTBJJQU-INIZCTEOSA-N 1 1 303.406 3.046 20 5 DGBDMO Cc1cc([N+](=O)[O-])ccc1NC(=O)C[N@H+](C)[C@@H](C)C(C)(C)C ZINC000532927558 435200147 /nfs/dbraw/zinc/20/01/47/435200147.db2.gz CDZNABFOAHIVDI-LBPRGKRZSA-N 1 1 307.394 3.208 20 5 DGBDMO CCCC[N@@H+](C)CCNC(=O)Nc1cc(C)c([N+](=O)[O-])cc1C ZINC000475577765 435203813 /nfs/dbraw/zinc/20/38/13/435203813.db2.gz HQCGKIHCHDYWGB-UHFFFAOYSA-N 1 1 322.409 3.065 20 5 DGBDMO CC[N@@H+](CCC(=O)Nc1cc([N+](=O)[O-])ccc1C)C1CCC1 ZINC000532579658 435179468 /nfs/dbraw/zinc/17/94/68/435179468.db2.gz OJCJISNIGMWPCY-UHFFFAOYSA-N 1 1 305.378 3.106 20 5 DGBDMO CC(C)C[N@@H+](C)CCc1ncc(-c2cccc([N+](=O)[O-])c2)o1 ZINC000533256393 435220277 /nfs/dbraw/zinc/22/02/77/435220277.db2.gz PYHDAYXPAZSUKO-UHFFFAOYSA-N 1 1 303.362 3.380 20 5 DGBDMO Cc1ccc2c(c1)C[N@H+](CCc1ccc([N+](=O)[O-])cc1)CCO2 ZINC000512214018 435347221 /nfs/dbraw/zinc/34/72/21/435347221.db2.gz QWVHEGGQDLIIIU-UHFFFAOYSA-N 1 1 312.369 3.340 20 5 DGBDMO CCC(=O)c1ccc(N[C@H]2CC[N@@H+](C)[C@H](C)C2)c([N+](=O)[O-])c1 ZINC000480005091 435361196 /nfs/dbraw/zinc/36/11/96/435361196.db2.gz FYOMBFVCYXPWGO-YPMHNXCESA-N 1 1 305.378 3.082 20 5 DGBDMO Cc1c([C@@H](C)NCC2([NH+](C)C)CCCC2)cccc1[N+](=O)[O-] ZINC000480146532 435366688 /nfs/dbraw/zinc/36/66/88/435366688.db2.gz JLEDOUQRLKXKNO-CQSZACIVSA-N 1 1 305.422 3.428 20 5 DGBDMO CC(C)[N@H+]1CCC[C@@H](CN[C@@H]2CCc3c2cccc3[N+](=O)[O-])C1 ZINC000568767983 435469612 /nfs/dbraw/zinc/46/96/12/435469612.db2.gz CHLCGRAGNWDABH-WMLDXEAASA-N 1 1 317.433 3.292 20 5 DGBDMO CC(C)[N@H+]1CCC[C@H](CN[C@@H]2CCc3c2cccc3[N+](=O)[O-])C1 ZINC000568767982 435470332 /nfs/dbraw/zinc/47/03/32/435470332.db2.gz CHLCGRAGNWDABH-RHSMWYFYSA-N 1 1 317.433 3.292 20 5 DGBDMO CC1(C)C[N@@H+](CCOc2ccccc2[N+](=O)[O-])[C@H]2CCC[C@H]21 ZINC000569108700 435503379 /nfs/dbraw/zinc/50/33/79/435503379.db2.gz PUMDCQNTDOUXAB-KGLIPLIRSA-N 1 1 304.390 3.484 20 5 DGBDMO Cc1c(NC(=O)[C@H](C)[N@@H+]2CCC(C)=C(C)C2)cccc1[N+](=O)[O-] ZINC000483356501 435516463 /nfs/dbraw/zinc/51/64/63/435516463.db2.gz MAFKHRLFYOBFOH-AWEZNQCLSA-N 1 1 317.389 3.272 20 5 DGBDMO Cc1c(NC(=O)[C@H](C)[N@H+]2CCC(C)=C(C)C2)cccc1[N+](=O)[O-] ZINC000483356501 435516464 /nfs/dbraw/zinc/51/64/64/435516464.db2.gz MAFKHRLFYOBFOH-AWEZNQCLSA-N 1 1 317.389 3.272 20 5 DGBDMO C[C@H](C(=O)Nc1cccc([N+](=O)[O-])c1)[N@@H+](C)CC1CCCCC1 ZINC000483600648 435524632 /nfs/dbraw/zinc/52/46/32/435524632.db2.gz KBJMRAQNSKIGSG-CYBMUJFWSA-N 1 1 319.405 3.434 20 5 DGBDMO CCC[C@]1(CO)CC[N@@H+](C/C(C)=C/c2cccc([N+](=O)[O-])c2)C1 ZINC000569392523 435529489 /nfs/dbraw/zinc/52/94/89/435529489.db2.gz OKPUUFPZANKHMM-KAPURRDVSA-N 1 1 318.417 3.483 20 5 DGBDMO CC[C@H](C)C[N@@H+](CC)CC(=O)Nc1c(C)cccc1[N+](=O)[O-] ZINC000482843547 435483420 /nfs/dbraw/zinc/48/34/20/435483420.db2.gz NSTLTHRYORPDOS-LBPRGKRZSA-N 1 1 307.394 3.210 20 5 DGBDMO O=[N+]([O-])c1ccccc1/C=C/C[N@H+](CCO)CC1CCCCC1 ZINC000485722417 435578038 /nfs/dbraw/zinc/57/80/38/435578038.db2.gz CWZVCFTWQXKBLY-UXBLZVDNSA-N 1 1 318.417 3.483 20 5 DGBDMO COc1cc([N+](=O)[O-])ccc1C[N@@H+]1CCC[C@@H]1c1ccccn1 ZINC000518287386 435631917 /nfs/dbraw/zinc/63/19/17/435631917.db2.gz JDIYSAKBSUWPAW-MRXNPFEDSA-N 1 1 313.357 3.336 20 5 DGBDMO COc1cc([N+](=O)[O-])ccc1C[N@H+]1CCC[C@@H]1c1ccccn1 ZINC000518287386 435631925 /nfs/dbraw/zinc/63/19/25/435631925.db2.gz JDIYSAKBSUWPAW-MRXNPFEDSA-N 1 1 313.357 3.336 20 5 DGBDMO CC(C)CCO[C@@H]1CC[N@H+](Cc2ccc([N+](=O)[O-])cc2F)C1 ZINC000490572675 435662731 /nfs/dbraw/zinc/66/27/31/435662731.db2.gz XWOWBNWVSUGUPW-OAHLLOKOSA-N 1 1 310.369 3.371 20 5 DGBDMO CC(C)CCO[C@@H]1CC[N@@H+](Cc2ccc([N+](=O)[O-])cc2F)C1 ZINC000490572675 435662736 /nfs/dbraw/zinc/66/27/36/435662736.db2.gz XWOWBNWVSUGUPW-OAHLLOKOSA-N 1 1 310.369 3.371 20 5 DGBDMO CCC(=O)c1ccc(NC[C@@H]2CC[N@H+](C(C)C)C2)c([N+](=O)[O-])c1 ZINC000530370074 313362035 /nfs/dbraw/zinc/36/20/35/313362035.db2.gz RPINRTXSORZNSA-ZDUSSCGKSA-N 1 1 319.405 3.330 20 5 DGBDMO C[C@H](C(=O)Nc1ccccc1[N+](=O)[O-])[N@H+]1CC[C@H](C(C)(C)C)C1 ZINC000542319138 314070054 /nfs/dbraw/zinc/07/00/54/314070054.db2.gz CSPCXGAPCZDSJS-OLZOCXBDSA-N 1 1 319.405 3.290 20 5 DGBDMO Cc1ccc([N+](=O)[O-])cc1NC(=O)C[N@H+]1CC[C@@H](C(C)(C)C)C1 ZINC000543248400 314123583 /nfs/dbraw/zinc/12/35/83/314123583.db2.gz ZRUITYWTSXWETN-CYBMUJFWSA-N 1 1 319.405 3.210 20 5 DGBDMO CCOc1cccc(N(C)CC[C@@H]2CCCC[N@H+]2C)c1[N+](=O)[O-] ZINC000545163315 314229464 /nfs/dbraw/zinc/22/94/64/314229464.db2.gz ISOYZXMZQWSVOX-AWEZNQCLSA-N 1 1 321.421 3.304 20 5 DGBDMO Cc1cc([N+](=O)[O-])ccc1NC(=O)C[N@H+]1CC[C@H](C)C(C)(C)C1 ZINC000545420181 314250893 /nfs/dbraw/zinc/25/08/93/314250893.db2.gz HJDWVNKIEVNTGV-ZDUSSCGKSA-N 1 1 319.405 3.210 20 5 DGBDMO Cc1cc([N+](=O)[O-])ccc1NC(=O)C[N@@H+]1CC[C@H](C)C(C)(C)C1 ZINC000545420181 314250896 /nfs/dbraw/zinc/25/08/96/314250896.db2.gz HJDWVNKIEVNTGV-ZDUSSCGKSA-N 1 1 319.405 3.210 20 5 DGBDMO CCc1cc(C[NH2+][C@H]2CCCc3ccc([N+](=O)[O-])cc32)on1 ZINC000563594143 315126207 /nfs/dbraw/zinc/12/62/07/315126207.db2.gz TWCNNPPNIGLLNT-INIZCTEOSA-N 1 1 301.346 3.312 20 5 DGBDMO CCC[N@@H+](Cc1nc(-c2cccc([N+](=O)[O-])c2)no1)C(C)C ZINC000565170708 315237421 /nfs/dbraw/zinc/23/74/21/315237421.db2.gz INODBJNDUZWWIS-UHFFFAOYSA-N 1 1 304.350 3.265 20 5 DGBDMO CC[C@H](CN[C@@H]1CCCc2ccc([N+](=O)[O-])cc21)[NH+]1CCCC1 ZINC000577457160 316236987 /nfs/dbraw/zinc/23/69/87/316236987.db2.gz DIFOVFVMBOFLQM-CRAIPNDOSA-N 1 1 317.433 3.436 20 5 DGBDMO CCO[C@@H]1C[C@H]1[NH2+][C@@H](c1ccccc1)c1cccc([N+](=O)[O-])c1 ZINC000577575870 316248997 /nfs/dbraw/zinc/24/89/97/316248997.db2.gz UDKAZSPKDRFRCN-KURKYZTESA-N 1 1 312.369 3.451 20 5 DGBDMO O=[N+]([O-])c1ccc([C@@H]2CCC[N@H+](Cc3ncccc3O)C2)cc1 ZINC000578113309 316304158 /nfs/dbraw/zinc/30/41/58/316304158.db2.gz FKAMUGGSHKIQDM-CQSZACIVSA-N 1 1 313.357 3.075 20 5 DGBDMO CCCC[N@@H+](C)C[C@@H](C)Nc1cc(OC)c([N+](=O)[O-])cc1F ZINC000581856791 324160196 /nfs/dbraw/zinc/16/01/96/324160196.db2.gz PYEARQDYIDODGQ-LLVKDONJSA-N 1 1 313.373 3.275 20 5 DGBDMO CC(C)[N@H+](Cc1ccc([N+](=O)[O-])cc1)C[C@@H]1CCCC[C@H]1O ZINC000582065801 324185611 /nfs/dbraw/zinc/18/56/11/324185611.db2.gz FTMBAHFLFQXEED-DOTOQJQBSA-N 1 1 306.406 3.356 20 5 DGBDMO CCC(CC)[N@@H+](CC)CC(=O)Nc1cc([N+](=O)[O-])ccc1C ZINC000582809150 324277992 /nfs/dbraw/zinc/27/79/92/324277992.db2.gz IFPWIKUHEYFMPU-UHFFFAOYSA-N 1 1 307.394 3.352 20 5 DGBDMO CCCC[N@@H+](C)C[C@@H](C)NC(=O)c1ccc(CC)c([N+](=O)[O-])c1 ZINC000583353975 324341970 /nfs/dbraw/zinc/34/19/70/324341970.db2.gz QXYDMQXPWRSXCZ-CYBMUJFWSA-N 1 1 321.421 3.007 20 5 DGBDMO C[N@@H+](CCc1ccccc1[N+](=O)[O-])Cc1ccc2c(n1)CCC2 ZINC000583485612 324360329 /nfs/dbraw/zinc/36/03/29/324360329.db2.gz RTABYMHGYGJMAM-UHFFFAOYSA-N 1 1 311.385 3.153 20 5 DGBDMO Cc1nnsc1C[N@H+]1CCC[C@H](c2ccc([N+](=O)[O-])cc2)C1 ZINC000583502678 324362763 /nfs/dbraw/zinc/36/27/63/324362763.db2.gz AROQMTLWGPKBSC-ZDUSSCGKSA-N 1 1 318.402 3.134 20 5 DGBDMO Cc1c(NC(=O)CC[N@H+](C)[C@H]2CC[C@@H](C)C2)cccc1[N+](=O)[O-] ZINC000429567710 533900844 /nfs/dbraw/zinc/90/08/44/533900844.db2.gz MQKDRNHZTBUPKN-OCCSQVGLSA-N 1 1 319.405 3.352 20 5 DGBDMO C[C@H](O)[C@@H]1C[C@H](C)CC[N@H+]1C/C=C\c1ccccc1[N+](=O)[O-] ZINC000443787478 534106585 /nfs/dbraw/zinc/10/65/85/534106585.db2.gz ILDPVBSSZSBGTK-ANXCRFRSSA-N 1 1 304.390 3.089 20 5 DGBDMO Cc1cccc2nc(C[NH2+][C@H](C)c3ccc([N+](=O)[O-])cc3)cn21 ZINC000160333400 524989010 /nfs/dbraw/zinc/98/90/10/524989010.db2.gz FNNNCIGDRNGVDY-CYBMUJFWSA-N 1 1 310.357 3.402 20 5 DGBDMO C[C@H](c1cc2ccccc2o1)[N@@H+](C)CCn1cc([N+](=O)[O-])cn1 ZINC000157584224 526039063 /nfs/dbraw/zinc/03/90/63/526039063.db2.gz HBWPZMWZXRMDJN-GFCCVEGCSA-N 1 1 314.345 3.231 20 5 DGBDMO CC(C)[C@H]1CCC[N@H+]([C@H](C)C(=O)Nc2cccc([N+](=O)[O-])c2)C1 ZINC000444754623 527779203 /nfs/dbraw/zinc/77/92/03/527779203.db2.gz UTUBBAFEAMVVDP-KGLIPLIRSA-N 1 1 319.405 3.290 20 5 DGBDMO CC1=CC[N@@H+](CCNc2ccc3cc([N+](=O)[O-])ccc3n2)CC1 ZINC000302139534 528119303 /nfs/dbraw/zinc/11/93/03/528119303.db2.gz GFMQGBWPHKGJAU-UHFFFAOYSA-N 1 1 312.373 3.207 20 5 DGBDMO CC(C)C[C@H]1CC[N@@H+](Cc2nc3cc([N+](=O)[O-])ccc3[nH]2)C1 ZINC000444645027 528595832 /nfs/dbraw/zinc/59/58/32/528595832.db2.gz WOJWLGXMSWIMPA-GFCCVEGCSA-N 1 1 302.378 3.339 20 5 DGBDMO CC[N@@H+](Cc1ccc(-c2cccc([N+](=O)[O-])c2)o1)[C@H](C)CO ZINC000292871323 528770861 /nfs/dbraw/zinc/77/08/61/528770861.db2.gz WNDGIPKQAOWKNW-GFCCVEGCSA-N 1 1 304.346 3.058 20 5 DGBDMO CC[C@H]1CCC[N@@H+](Cc2nc3cc([N+](=O)[O-])ccc3[nH]2)CC1 ZINC000444641025 529217984 /nfs/dbraw/zinc/21/79/84/529217984.db2.gz OLYVDCDHEHCHIT-LBPRGKRZSA-N 1 1 302.378 3.483 20 5 DGBDMO CCO[C@H]1CC[N@H+](Cc2c(Cl)cccc2[N+](=O)[O-])C[C@@H]1C ZINC000451536779 535631076 /nfs/dbraw/zinc/63/10/76/535631076.db2.gz IALDEXFSWUDLAX-NHYWBVRUSA-N 1 1 312.797 3.495 20 5 DGBDMO CCO[C@H]1CC[N@@H+](Cc2c(Cl)cccc2[N+](=O)[O-])C[C@@H]1C ZINC000451536779 535631078 /nfs/dbraw/zinc/63/10/78/535631078.db2.gz IALDEXFSWUDLAX-NHYWBVRUSA-N 1 1 312.797 3.495 20 5 DGBDMO CC[C@H](C)[N@@H+](C)CCNc1nc2ccc([N+](=O)[O-])cc2s1 ZINC000731210042 574545161 /nfs/dbraw/zinc/54/51/61/574545161.db2.gz KSBZWKNCZPWNQH-JTQLQIEISA-N 1 1 308.407 3.347 20 5 DGBDMO CC[C@@H](C)[N@@H+](C)CCNc1nc2ccc([N+](=O)[O-])cc2s1 ZINC000731210043 574545367 /nfs/dbraw/zinc/54/53/67/574545367.db2.gz KSBZWKNCZPWNQH-SNVBAGLBSA-N 1 1 308.407 3.347 20 5 DGBDMO CCCCC[N@@H+](Cn1c(=O)oc2ccc([N+](=O)[O-])cc21)C(C)C ZINC000734829464 574679354 /nfs/dbraw/zinc/67/93/54/574679354.db2.gz OIMMLKQMCFPCOG-UHFFFAOYSA-N 1 1 321.377 3.361 20 5 DGBDMO CCCC[N@H+](CCOC)Cc1cc([N+](=O)[O-])ccc1Cl ZINC000735493014 574704196 /nfs/dbraw/zinc/70/41/96/574704196.db2.gz NHJHXJLGRVGBKZ-UHFFFAOYSA-N 1 1 300.786 3.497 20 5 DGBDMO CCCC[N@@H+](CCOC)Cc1cc([N+](=O)[O-])ccc1Cl ZINC000735493014 574704198 /nfs/dbraw/zinc/70/41/98/574704198.db2.gz NHJHXJLGRVGBKZ-UHFFFAOYSA-N 1 1 300.786 3.497 20 5 DGBDMO CC[C@@H]1CCC[N@@H+](Cn2ncc3ccc([N+](=O)[O-])cc32)CC1 ZINC000738253966 574863069 /nfs/dbraw/zinc/86/30/69/574863069.db2.gz JVAXSQFYHMSTQV-CYBMUJFWSA-N 1 1 302.378 3.414 20 5 DGBDMO CCO[C@@H]1C[C@H]([N@@H+](C)Cc2cc(F)ccc2[N+](=O)[O-])C1(C)C ZINC000740887033 574945015 /nfs/dbraw/zinc/94/50/15/574945015.db2.gz OMUQQLZYYFJLIF-LSDHHAIUSA-N 1 1 310.369 3.369 20 5 DGBDMO C[C@@H]1CCC[N@H+]1CCNc1nc2ccc([N+](=O)[O-])cc2s1 ZINC000742425955 574999381 /nfs/dbraw/zinc/99/93/81/574999381.db2.gz RIEMKQONQYTLNG-SNVBAGLBSA-N 1 1 306.391 3.101 20 5 DGBDMO CC[N@H+]1CCC[C@@H]1CNc1nc2ccc([N+](=O)[O-])cc2s1 ZINC000743358677 575045327 /nfs/dbraw/zinc/04/53/27/575045327.db2.gz OFTYDCPFIGAHNP-LLVKDONJSA-N 1 1 306.391 3.101 20 5 DGBDMO CC[N@H+]1CCC[C@H]1CNc1nc2ccc([N+](=O)[O-])cc2s1 ZINC000743358936 575045626 /nfs/dbraw/zinc/04/56/26/575045626.db2.gz OFTYDCPFIGAHNP-NSHDSACASA-N 1 1 306.391 3.101 20 5 DGBDMO C[C@H](C(=O)OCc1ccc([N+](=O)[O-])cc1F)[NH+]1CCCCCC1 ZINC000746986539 575488109 /nfs/dbraw/zinc/48/81/09/575488109.db2.gz WZUDHNVAYIHJDM-GFCCVEGCSA-N 1 1 324.352 3.042 20 5 DGBDMO CC[C@@]1(C)CCC[N@@H+](Cn2nc(C)c3cc([N+](=O)[O-])cnc32)C1 ZINC000749960233 575692816 /nfs/dbraw/zinc/69/28/16/575692816.db2.gz NSMOQHFVVKQWHB-INIZCTEOSA-N 1 1 317.393 3.118 20 5 DGBDMO C[N@@H+](CC(=O)Nc1cc(Cl)ccc1[N+](=O)[O-])CC(C)(C)C ZINC000726971648 576089585 /nfs/dbraw/zinc/08/95/85/576089585.db2.gz MYWBJMZLDDAGGZ-UHFFFAOYSA-N 1 1 313.785 3.165 20 5 DGBDMO CN(c1cc(Cl)ccc1[N+](=O)[O-])C1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC000804815705 617675292 /nfs/dbraw/zinc/67/52/92/617675292.db2.gz YFLBTOWREZGKKV-FUNVUKJBSA-N 1 1 309.797 3.310 20 5 DGBDMO COc1c(O)ccc(C[N@@H+](C2CC2)C2CCCC2)c1[N+](=O)[O-] ZINC000891600082 617850896 /nfs/dbraw/zinc/85/08/96/617850896.db2.gz PYTGWNCFOWTXDI-UHFFFAOYSA-N 1 1 306.362 3.216 20 5 DGBDMO COc1c(O)ccc(C[N@@H+](C)C[C@H]2CC=CCC2)c1[N+](=O)[O-] ZINC000893521363 618582584 /nfs/dbraw/zinc/58/25/84/618582584.db2.gz DBHZPDSMGHQQHW-LBPRGKRZSA-N 1 1 306.362 3.097 20 5 DGBDMO C[C@H](O)[C@H]([NH2+]Cc1ccc(Cl)cc1[N+](=O)[O-])c1ccccc1 ZINC000895472728 618789098 /nfs/dbraw/zinc/78/90/98/618789098.db2.gz KDFNJWJCVVNFCU-ZBEGNZNMSA-N 1 1 320.776 3.460 20 5 DGBDMO C[C@@H]1CC[N@@H+](Cc2ccc(-c3ccccc3[N+](=O)[O-])o2)CCO1 ZINC000896584675 618930764 /nfs/dbraw/zinc/93/07/64/618930764.db2.gz QSFCXNMKMVNUDX-CYBMUJFWSA-N 1 1 316.357 3.466 20 5 DGBDMO O=[N+]([O-])c1ccc2[nH+]ccc(NC3C[C@H]4CC[C@@H](C3)S4)c2c1 ZINC000896997461 619000208 /nfs/dbraw/zinc/00/02/08/619000208.db2.gz VTMSLOLGABBAMF-VGPLMAKISA-N 1 1 315.398 3.403 20 5 DGBDMO C[C@]12CSC[C@H]1CN(c1cc[nH+]c3ccc([N+](=O)[O-])cc31)C2 ZINC000897485402 619135721 /nfs/dbraw/zinc/13/57/21/619135721.db2.gz CUVZUAJYGUEAAO-BZNIZROVSA-N 1 1 315.398 3.332 20 5 DGBDMO O=[N+]([O-])c1sc(C[NH2+]C/C=C/Cl)cc1Br ZINC000898430295 619275069 /nfs/dbraw/zinc/27/50/69/619275069.db2.gz YDGUASJDXUZOIY-OWOJBTEDSA-N 1 1 311.588 3.261 20 5 DGBDMO Cc1cc(C)c([N+](=O)[O-])cc1NC(=O)[C@@H]1CC[C@@H]2CCCC[N@H+]21 ZINC000899936966 619384473 /nfs/dbraw/zinc/38/44/73/619384473.db2.gz KOCVAOHHQIZNDM-ZFWWWQNUSA-N 1 1 317.389 3.167 20 5 DGBDMO Cc1c([C@@H](C)[NH2+][C@@H]2Cc3ccccc3[C@H]2N)cccc1[N+](=O)[O-] ZINC000902437048 619635707 /nfs/dbraw/zinc/63/57/07/619635707.db2.gz GZGVXRWLVAPGGV-XHBKTUGNSA-N 1 1 311.385 3.179 20 5 DGBDMO COc1cc([C@@H](C)[NH2+]Cc2c(C)noc2C)cc([N+](=O)[O-])c1 ZINC000903080262 619712788 /nfs/dbraw/zinc/71/27/88/619712788.db2.gz PXMUTBQQPMVWFI-SECBINFHSA-N 1 1 305.334 3.059 20 5 DGBDMO C[C@@H]([NH2+]Cc1nc2c(s1)CCC2)c1ccc([N+](=O)[O-])cc1 ZINC000903193347 619733477 /nfs/dbraw/zinc/73/34/77/619733477.db2.gz SGKNBENFMLNKRJ-SNVBAGLBSA-N 1 1 303.387 3.391 20 5 DGBDMO CCc1ncc(C[NH2+][C@@H](C)c2cc(OC)cc([N+](=O)[O-])c2)o1 ZINC000903188076 619736868 /nfs/dbraw/zinc/73/68/68/619736868.db2.gz XSDMRUQAVWNLAP-JTQLQIEISA-N 1 1 305.334 3.005 20 5 DGBDMO O=[N+]([O-])c1cccc2c1CC[C@H]2[NH2+]Cc1nc2c(s1)CCC2 ZINC000903190800 619737639 /nfs/dbraw/zinc/73/76/39/619737639.db2.gz DFVFSIXQNARWGD-GFCCVEGCSA-N 1 1 315.398 3.317 20 5 DGBDMO [NH3+]CC1([C@H]2CCCC[N@H+]2Cc2ccccc2[N+](=O)[O-])CCC1 ZINC000903815923 619814328 /nfs/dbraw/zinc/81/43/28/619814328.db2.gz VOAQGWAHLYZZOK-MRXNPFEDSA-N 1 1 303.406 3.078 20 5 DGBDMO [NH3+]CC1([C@H]2CCCCN2Cc2ccccc2[N+](=O)[O-])CCC1 ZINC000903815923 619814330 /nfs/dbraw/zinc/81/43/30/619814330.db2.gz VOAQGWAHLYZZOK-MRXNPFEDSA-N 1 1 303.406 3.078 20 5 DGBDMO C[C@@H](c1ccccc1)[C@H]1CCC[N@H+]1Cn1nccc1[N+](=O)[O-] ZINC000905740595 620025211 /nfs/dbraw/zinc/02/52/11/620025211.db2.gz LAMQMCPHEFCORL-DZGCQCFKSA-N 1 1 300.362 3.017 20 5 DGBDMO O=[N+]([O-])c1ccc2c(cnn2C[N@@H+](C2CC2)C2CCCC2)c1 ZINC000915208703 620573641 /nfs/dbraw/zinc/57/36/41/620573641.db2.gz NICPHTGVFOBADU-UHFFFAOYSA-N 1 1 300.362 3.309 20 5 DGBDMO CCOc1ccc([N+](=O)[O-])cc1C[NH2+]Cc1ncc(C)cc1C ZINC000922747395 621092807 /nfs/dbraw/zinc/09/28/07/621092807.db2.gz YOHMATVAZPWXIS-UHFFFAOYSA-N 1 1 315.373 3.295 20 5 DGBDMO C[C@@H]1CCC[N@H+]1CCNc1ccc2cnccc2c1[N+](=O)[O-] ZINC000858428067 621189541 /nfs/dbraw/zinc/18/95/41/621189541.db2.gz NNNQAJVSKGISJG-GFCCVEGCSA-N 1 1 300.362 3.039 20 5 DGBDMO O=C(O[C@H]1CC[N@H+]2CCC[C@@H]2C1)c1ccc(Cl)cc1[N+](=O)[O-] ZINC000788114726 621275261 /nfs/dbraw/zinc/27/52/61/621275261.db2.gz IEJXKGCYPVWFBM-NEPJUHHUSA-N 1 1 324.764 3.032 20 5 DGBDMO O=C(C[N@H+]1CCC[C@@H]1C1CC1)Nc1cc(Cl)ccc1[N+](=O)[O-] ZINC000839479729 621379852 /nfs/dbraw/zinc/37/98/52/621379852.db2.gz GTUUMOBGUXSGNO-CYBMUJFWSA-N 1 1 323.780 3.061 20 5 DGBDMO CC1(C)CCC[N@@H+]1CC(=O)Nc1cc(Cl)ccc1[N+](=O)[O-] ZINC000839481669 621379934 /nfs/dbraw/zinc/37/99/34/621379934.db2.gz SKEITPAILGXBQA-UHFFFAOYSA-N 1 1 311.769 3.061 20 5 DGBDMO CC1(C)CCC[N@H+]1CC(=O)Nc1cc(Cl)ccc1[N+](=O)[O-] ZINC000839481669 621379937 /nfs/dbraw/zinc/37/99/37/621379937.db2.gz SKEITPAILGXBQA-UHFFFAOYSA-N 1 1 311.769 3.061 20 5 DGBDMO C[C@@H]1C[C@@H](Nc2nc3ccc([N+](=O)[O-])cc3s2)C[N@H+]1C1CC1 ZINC000754024408 621480437 /nfs/dbraw/zinc/48/04/37/621480437.db2.gz KPAARNOSZPUOPY-NXEZZACHSA-N 1 1 318.402 3.242 20 5 DGBDMO CC(C)[C@H]1CC[N@@H+](Cn2cc(-c3ccc([N+](=O)[O-])cc3)cn2)C1 ZINC000755920936 621603434 /nfs/dbraw/zinc/60/34/34/621603434.db2.gz NDVNDZDBGHRNEG-HNNXBMFYSA-N 1 1 314.389 3.394 20 5 DGBDMO C[C@H](O[NH+]=C(N)CCC(F)(F)F)c1cccc([N+](=O)[O-])c1 ZINC000863488728 621677485 /nfs/dbraw/zinc/67/74/85/621677485.db2.gz CNTAZZFRNLJSGQ-QMMMGPOBSA-N 1 1 305.256 3.497 20 5 DGBDMO O=[N+]([O-])c1ccc(F)cc1C[N@@H+]1C[C@H](O)C[C@@H]1c1ccccc1 ZINC000839632262 621702407 /nfs/dbraw/zinc/70/24/07/621702407.db2.gz FMUBWGJYLGHFQX-NVXWUHKLSA-N 1 1 316.332 3.042 20 5 DGBDMO O=[N+]([O-])c1ccc(F)cc1C[N@H+]1C[C@H](O)C[C@@H]1c1ccccc1 ZINC000839632262 621702408 /nfs/dbraw/zinc/70/24/08/621702408.db2.gz FMUBWGJYLGHFQX-NVXWUHKLSA-N 1 1 316.332 3.042 20 5 DGBDMO CC[N@H+](Cc1occc1C)C[C@H](O)c1ccc([N+](=O)[O-])cc1 ZINC000839664006 621705977 /nfs/dbraw/zinc/70/59/77/621705977.db2.gz WOWCHUKSTOPJMB-HNNXBMFYSA-N 1 1 304.346 3.052 20 5 DGBDMO CC[C@H](c1ccccc1)[C@H]1CCC[N@H+]1Cn1nccc1[N+](=O)[O-] ZINC000120222235 621810596 /nfs/dbraw/zinc/81/05/96/621810596.db2.gz BPJOZXHIJKFQPT-HZPDHXFCSA-N 1 1 314.389 3.407 20 5 DGBDMO CC(C)(C)C1=CC[N@@H+](C[C@H](O)c2cccc([N+](=O)[O-])c2)CC1 ZINC000759266734 621841417 /nfs/dbraw/zinc/84/14/17/621841417.db2.gz CPRJYOQUSYIMQE-INIZCTEOSA-N 1 1 304.390 3.306 20 5 DGBDMO COC(=O)C1([N@H+](C)Cc2cccc([N+](=O)[O-])c2C)CCCCC1 ZINC000759382154 621851361 /nfs/dbraw/zinc/85/13/61/621851361.db2.gz RWCONDNSZNLTOW-UHFFFAOYSA-N 1 1 320.389 3.211 20 5 DGBDMO COC(=O)C1([N@@H+](C)Cc2cccc([N+](=O)[O-])c2C)CCCCC1 ZINC000759382154 621851364 /nfs/dbraw/zinc/85/13/64/621851364.db2.gz RWCONDNSZNLTOW-UHFFFAOYSA-N 1 1 320.389 3.211 20 5 DGBDMO Cc1ccc(C)c(C[N@@H+](C)C[C@H](O)c2cccc([N+](=O)[O-])c2)c1 ZINC000759644545 621879078 /nfs/dbraw/zinc/87/90/78/621879078.db2.gz NKLHVPFGPSPXOC-SFHVURJKSA-N 1 1 314.385 3.377 20 5 DGBDMO O=[N+]([O-])c1ccc(N[C@H]2CCn3cc[nH+]c3C2)c(C(F)F)c1 ZINC000865688548 621978028 /nfs/dbraw/zinc/97/80/28/621978028.db2.gz GMNPDYITVPAXFS-VIFPVBQESA-N 1 1 308.288 3.156 20 5 DGBDMO Cc1nn(C[N@@H+]2CCC[C@@H]2C(C)C)c2cc([N+](=O)[O-])ccc12 ZINC000761287733 621999251 /nfs/dbraw/zinc/99/92/51/621999251.db2.gz AYWYUNDSAJAGMX-OAHLLOKOSA-N 1 1 302.378 3.331 20 5 DGBDMO O=[N+]([O-])c1ccc(C[N@H+]2CCC[C@@H]([C@H]3CCOC3)C2)cc1Cl ZINC000761516113 622014328 /nfs/dbraw/zinc/01/43/28/622014328.db2.gz ZBOJYWVEZLAQPE-KGLIPLIRSA-N 1 1 324.808 3.497 20 5 DGBDMO C[C@@H]1CC2(CCC2)C[N@H+]1Cn1ncc2cc([N+](=O)[O-])ccc21 ZINC000762139442 622056550 /nfs/dbraw/zinc/05/65/50/622056550.db2.gz ADNAZDZVCDNCRZ-GFCCVEGCSA-N 1 1 300.362 3.167 20 5 DGBDMO COc1cccc(NC[C@@H]2c3ccccc3C[N@H+]2C)c1[N+](=O)[O-] ZINC000866195108 622063573 /nfs/dbraw/zinc/06/35/73/622063573.db2.gz NELPVZUZFKJYCC-OAHLLOKOSA-N 1 1 313.357 3.202 20 5 DGBDMO COc1cccc(NC[C@@H]2c3ccccc3C[N@@H+]2C)c1[N+](=O)[O-] ZINC000866195108 622063576 /nfs/dbraw/zinc/06/35/76/622063576.db2.gz NELPVZUZFKJYCC-OAHLLOKOSA-N 1 1 313.357 3.202 20 5 DGBDMO Cc1nn(C[NH+]2C[C@H](C)S[C@@H](C)C2)c2cc([N+](=O)[O-])ccc12 ZINC000121227301 622163518 /nfs/dbraw/zinc/16/35/18/622163518.db2.gz BUCPWQLUYVHGGP-QWRGUYRKSA-N 1 1 320.418 3.036 20 5 DGBDMO CCC[N@@H+](CC)[C@H](C)C(=O)Nc1cc([N+](=O)[O-])ccc1Cl ZINC000764211078 622183848 /nfs/dbraw/zinc/18/38/48/622183848.db2.gz LEFSBDDBGKPBOL-SNVBAGLBSA-N 1 1 313.785 3.307 20 5 DGBDMO CC[C@@H]1C[C@@H](C)C[N@H+]1Cn1nc(C)c2cc([N+](=O)[O-])ccc21 ZINC000765058718 622243133 /nfs/dbraw/zinc/24/31/33/622243133.db2.gz XIQNDJXCTJBZNQ-DGCLKSJQSA-N 1 1 302.378 3.331 20 5 DGBDMO Cc1cc(C)c(COC(=O)c2ccccc2[N+](=O)[O-])c(C)[nH+]1 ZINC000869314378 622342603 /nfs/dbraw/zinc/34/26/03/622342603.db2.gz KSZAGKSUQBAHEM-UHFFFAOYSA-N 1 1 300.314 3.272 20 5 DGBDMO COC[C@@H]1CCCC[N@@H+](Cc2cc(Cl)ccc2[N+](=O)[O-])C1 ZINC000767940221 622429665 /nfs/dbraw/zinc/42/96/65/622429665.db2.gz ITICEALSPIYHGD-GFCCVEGCSA-N 1 1 312.797 3.497 20 5 DGBDMO O=[N+]([O-])c1cccc(Br)c1C[NH+]1C2CCC1CC2 ZINC000768226752 622446128 /nfs/dbraw/zinc/44/61/28/622446128.db2.gz CEVBTMSPOUDEIU-UHFFFAOYSA-N 1 1 311.179 3.484 20 5 DGBDMO O=[N+]([O-])c1cc(C[N@@H+]2CCC[C@H](n3ccnc3)C2)ccc1Cl ZINC000768541753 622463288 /nfs/dbraw/zinc/46/32/88/622463288.db2.gz LCEMCGZVIGASGB-ZDUSSCGKSA-N 1 1 320.780 3.282 20 5 DGBDMO O=[N+]([O-])c1cc(C[N@H+]2CCC[C@H](n3ccnc3)C2)ccc1Cl ZINC000768541753 622463292 /nfs/dbraw/zinc/46/32/92/622463292.db2.gz LCEMCGZVIGASGB-ZDUSSCGKSA-N 1 1 320.780 3.282 20 5 DGBDMO C[C@@H]1CCC[N@@H+](CCCCNc2ccnc(F)c2[N+](=O)[O-])C1 ZINC000881810480 625568612 /nfs/dbraw/zinc/56/86/12/625568612.db2.gz XFYRQSUENXVDDN-GFCCVEGCSA-N 1 1 310.373 3.053 20 5 DGBDMO COCCc1cc[nH+]c(NCc2c(C)ccc([N+](=O)[O-])c2C)c1 ZINC000871865129 622721990 /nfs/dbraw/zinc/72/19/90/622721990.db2.gz PJZOZJAOOQQZQR-UHFFFAOYSA-N 1 1 315.373 3.408 20 5 DGBDMO COc1ccc(C[NH2+][C@H](C)c2cc(O)ccc2F)cc1[N+](=O)[O-] ZINC000872029886 622761864 /nfs/dbraw/zinc/76/18/64/622761864.db2.gz VDNGEANQPCKPOX-SNVBAGLBSA-N 1 1 320.320 3.299 20 5 DGBDMO CSc1ccc([N+](=O)[O-])cc1[C@@H](C)N[C@H]1CC[N@@H+](C2CC2)C1 ZINC000872033437 622765145 /nfs/dbraw/zinc/76/51/45/622765145.db2.gz HHSMTKYNQSJPDD-NEPJUHHUSA-N 1 1 321.446 3.204 20 5 DGBDMO CSc1ccc([N+](=O)[O-])cc1[C@@H](C)N[C@H]1CC[N@H+](C2CC2)C1 ZINC000872033437 622765149 /nfs/dbraw/zinc/76/51/49/622765149.db2.gz HHSMTKYNQSJPDD-NEPJUHHUSA-N 1 1 321.446 3.204 20 5 DGBDMO C[C@@H](NC[C@@H]1CC[N@H+]1C(C)(C)C)c1c(F)cccc1[N+](=O)[O-] ZINC000872086234 622797588 /nfs/dbraw/zinc/79/75/88/622797588.db2.gz VPOXABAVMYBKTH-NEPJUHHUSA-N 1 1 309.385 3.257 20 5 DGBDMO C[C@@H]([NH2+]C[C@@H]1CCN1C(C)(C)C)c1c(F)cccc1[N+](=O)[O-] ZINC000872086234 622797591 /nfs/dbraw/zinc/79/75/91/622797591.db2.gz VPOXABAVMYBKTH-NEPJUHHUSA-N 1 1 309.385 3.257 20 5 DGBDMO O=[N+]([O-])c1ccc([C@H](O)C[NH2+][C@@H](CF)c2ccc(F)cc2)cc1 ZINC000872235856 622863182 /nfs/dbraw/zinc/86/31/82/622863182.db2.gz ANCVLLOFKDXOLR-JKSUJKDBSA-N 1 1 322.311 3.068 20 5 DGBDMO O=[N+]([O-])c1ccc([C@H](O)C[NH2+][C@H](CF)c2ccc(F)cc2)cc1 ZINC000872235855 622863666 /nfs/dbraw/zinc/86/36/66/622863666.db2.gz ANCVLLOFKDXOLR-HZPDHXFCSA-N 1 1 322.311 3.068 20 5 DGBDMO CC1(C)C[NH2+]CC[C@@H](NCc2ccc([N+](=O)[O-])c(Cl)c2)C1 ZINC000872254278 622867672 /nfs/dbraw/zinc/86/76/72/622867672.db2.gz YJHHAFULXRSAIE-GFCCVEGCSA-N 1 1 311.813 3.116 20 5 DGBDMO CC1(C)[C@H]2[C@H](CCC[N@@H+]2Cc2cc(Cl)ccc2[N+](=O)[O-])[C@@H]1O ZINC000872257278 622869387 /nfs/dbraw/zinc/86/93/87/622869387.db2.gz CMJDNFAHMYSOGG-CFVMTHIKSA-N 1 1 324.808 3.230 20 5 DGBDMO CC1(C)[C@H]2[C@H](CCC[N@H+]2Cc2cc(Cl)ccc2[N+](=O)[O-])[C@@H]1O ZINC000872257278 622869391 /nfs/dbraw/zinc/86/93/91/622869391.db2.gz CMJDNFAHMYSOGG-CFVMTHIKSA-N 1 1 324.808 3.230 20 5 DGBDMO COc1ccc(C[NH2+][C@@H](C)c2ccccc2[N+](=O)[O-])cc1O ZINC000873183982 623065339 /nfs/dbraw/zinc/06/53/39/623065339.db2.gz VRCMAYTVMJTEDD-NSHDSACASA-N 1 1 302.330 3.160 20 5 DGBDMO O=[N+]([O-])c1cc2cnn(C[N@H+]3CC[C@H](C4CC4)C3)c2c(Cl)c1 ZINC000774641136 623169561 /nfs/dbraw/zinc/16/95/61/623169561.db2.gz XYPOBEABBJZBHP-NSHDSACASA-N 1 1 320.780 3.287 20 5 DGBDMO CC(C)[C@H]1CCC[N@@H+](Cc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])C1 ZINC000775098490 623230643 /nfs/dbraw/zinc/23/06/43/623230643.db2.gz WMEBRWZONPAKNJ-LBPRGKRZSA-N 1 1 307.350 3.371 20 5 DGBDMO C[C@@H]1Cc2ccccc2C[N@H+]1C[C@H](O)c1ccc([N+](=O)[O-])cc1 ZINC000776590342 623444223 /nfs/dbraw/zinc/44/42/23/623444223.db2.gz ZVCQAIZGGADQNO-ACJLOTCBSA-N 1 1 312.369 3.075 20 5 DGBDMO C[C@H]1Cc2ccccc2C[N@H+]1C[C@H](O)c1ccc([N+](=O)[O-])cc1 ZINC000776590345 623445026 /nfs/dbraw/zinc/44/50/26/623445026.db2.gz ZVCQAIZGGADQNO-UGSOOPFHSA-N 1 1 312.369 3.075 20 5 DGBDMO Cc1nn(C[N@@H+]2CCSCC[C@@H]2C)c2ccc([N+](=O)[O-])cc12 ZINC000790475880 625657517 /nfs/dbraw/zinc/65/75/17/625657517.db2.gz CGCCLWMXBCNZHF-NSHDSACASA-N 1 1 320.418 3.038 20 5 DGBDMO O=[N+]([O-])c1cccc(-c2cnn(C[N@H+]3CC[C@@H](C4CC4)C3)c2)c1 ZINC000777957653 623591077 /nfs/dbraw/zinc/59/10/77/623591077.db2.gz IMTARHZLSLYBOF-OAHLLOKOSA-N 1 1 312.373 3.148 20 5 DGBDMO C[C@@H]1CC[C@@](CO)([N@@H+](C)Cc2cc(Cl)ccc2[N+](=O)[O-])C1 ZINC000778429159 623656740 /nfs/dbraw/zinc/65/67/40/623656740.db2.gz VLSJGIOULVWWPD-IAQYHMDHSA-N 1 1 312.797 3.231 20 5 DGBDMO CSC(C)(C)CC[N@H+]1CC[C@@H](Nc2ccc([N+](=O)[O-])cn2)C1 ZINC000876753744 623697616 /nfs/dbraw/zinc/69/76/16/623697616.db2.gz NSVPKHDOCPCRFF-GFCCVEGCSA-N 1 1 324.450 3.008 20 5 DGBDMO C[N@@H+](C1CCCC1)C(C)(C)C(=O)OCc1ccc([N+](=O)[O-])cc1 ZINC000779121940 623732608 /nfs/dbraw/zinc/73/26/08/623732608.db2.gz HDTUNWJEWRPWHA-UHFFFAOYSA-N 1 1 320.389 3.291 20 5 DGBDMO CCC[N@@H+](Cc1ccc(C)cc1)Cn1cc([N+](=O)[O-])c(C)n1 ZINC000779859076 623823293 /nfs/dbraw/zinc/82/32/93/623823293.db2.gz CYUUIPDKZKUPLZ-UHFFFAOYSA-N 1 1 302.378 3.278 20 5 DGBDMO CCC[N@H+](Cc1ccc(C)cc1)Cn1cc([N+](=O)[O-])c(C)n1 ZINC000779859076 623823298 /nfs/dbraw/zinc/82/32/98/623823298.db2.gz CYUUIPDKZKUPLZ-UHFFFAOYSA-N 1 1 302.378 3.278 20 5 DGBDMO COc1cnc(F)c(C[NH2+]C(C)(C)c2ccc([N+](=O)[O-])cc2)c1 ZINC000877361711 623859677 /nfs/dbraw/zinc/85/96/77/623859677.db2.gz WNSJMQVNYMUSBG-UHFFFAOYSA-N 1 1 319.336 3.162 20 5 DGBDMO CO[C@@H]1CC[N@@H+](Cc2c(C)ccc([N+](=O)[O-])c2C)CC1(C)C ZINC000877566493 623945311 /nfs/dbraw/zinc/94/53/11/623945311.db2.gz ZEKTWKXQWSNQQG-MRXNPFEDSA-N 1 1 306.406 3.459 20 5 DGBDMO CC(C)c1ccc(CN2CC[C@@H]3[C@H](CC[N@H+]3C)C2)cc1[N+](=O)[O-] ZINC000877744540 624016645 /nfs/dbraw/zinc/01/66/45/624016645.db2.gz VGNXRXIQKBSHNH-NVXWUHKLSA-N 1 1 317.433 3.244 20 5 DGBDMO Cc1nccnc1[C@H](C)[NH2+]Cc1ccc([N+](=O)[O-])c(Cl)c1 ZINC000877827935 624059482 /nfs/dbraw/zinc/05/94/82/624059482.db2.gz ALYPRPUZCKITFE-JTQLQIEISA-N 1 1 306.753 3.197 20 5 DGBDMO C[C@H]1CC[C@]2(CC[N@@H+](Cn3ncc4cc([N+](=O)[O-])ccc43)C2)C1 ZINC000781585564 624097603 /nfs/dbraw/zinc/09/76/03/624097603.db2.gz NYZHZHZGGHFRDZ-GUYCJALGSA-N 1 1 314.389 3.414 20 5 DGBDMO CC(C)[N@@H+](Cc1nnc(-c2ccccc2[N+](=O)[O-])o1)C1CC1 ZINC000877964629 624114385 /nfs/dbraw/zinc/11/43/85/624114385.db2.gz IXEONEVOKBGQPL-UHFFFAOYSA-N 1 1 302.334 3.018 20 5 DGBDMO CC[N@@H+](Cc1nnc(-c2ccccc2[N+](=O)[O-])o1)C1CCCC1 ZINC000877968179 624115351 /nfs/dbraw/zinc/11/53/51/624115351.db2.gz KBGJJNTVQDLQSI-UHFFFAOYSA-N 1 1 316.361 3.409 20 5 DGBDMO C[C@H]1CCC[N@@H+](Cc2nnc(-c3ccccc3[N+](=O)[O-])o2)CC1 ZINC000878002306 624131803 /nfs/dbraw/zinc/13/18/03/624131803.db2.gz UOSOBXKYQAGFGC-LBPRGKRZSA-N 1 1 316.361 3.267 20 5 DGBDMO CCC(C)(C)[N@@H+](C)Cc1nnc(-c2ccccc2[N+](=O)[O-])o1 ZINC000878246989 624225821 /nfs/dbraw/zinc/22/58/21/624225821.db2.gz WLZIAEOXDVKCRK-UHFFFAOYSA-N 1 1 304.350 3.265 20 5 DGBDMO C[C@@H]1C[N@@H+](Cn2ncc3cc([N+](=O)[O-])ccc32)[C@H]2CCCC[C@@H]12 ZINC000782274599 624231177 /nfs/dbraw/zinc/23/11/77/624231177.db2.gz BRZOBCSGZABAFS-PVUWLOKVSA-N 1 1 314.389 3.413 20 5 DGBDMO NC(=[NH+]OCCOc1ccc([N+](=O)[O-])cc1)C1CCCCC1 ZINC000782321962 624238815 /nfs/dbraw/zinc/23/88/15/624238815.db2.gz SRTZLCBQQGXMDC-UHFFFAOYSA-N 1 1 307.350 3.052 20 5 DGBDMO O=[N+]([O-])c1cccc2c1CC[N@H+](Cc1cccc3c1CCOC3)C2 ZINC000878303175 624240010 /nfs/dbraw/zinc/24/00/10/624240010.db2.gz IXPIQMPZKYMBSQ-UHFFFAOYSA-N 1 1 324.380 3.226 20 5 DGBDMO O=[N+]([O-])c1cccc2c1CC[N@@H+](Cc1cccc3c1CCOC3)C2 ZINC000878303175 624240012 /nfs/dbraw/zinc/24/00/12/624240012.db2.gz IXPIQMPZKYMBSQ-UHFFFAOYSA-N 1 1 324.380 3.226 20 5 DGBDMO CC(C)[C@@H]1CC[N@@H+](CCC(=O)Nc2cc([N+](=O)[O-])ccc2F)C1 ZINC000782510355 624258096 /nfs/dbraw/zinc/25/80/96/624258096.db2.gz GORWRYMESUADMI-GFCCVEGCSA-N 1 1 323.368 3.040 20 5 DGBDMO CC[N@H+](Cc1nnc(-c2ccccc2[N+](=O)[O-])o1)CC1CCC1 ZINC000878543002 624302638 /nfs/dbraw/zinc/30/26/38/624302638.db2.gz VKALSQMPAXTCST-UHFFFAOYSA-N 1 1 316.361 3.267 20 5 DGBDMO C[N@@H+](CCc1cccc([N+](=O)[O-])c1)C[C@@H]1C[C@@H]2CCC[C@@H]2O1 ZINC000878565136 624309745 /nfs/dbraw/zinc/30/97/45/624309745.db2.gz FYEKHIXZDXFGKC-XIRDDKMYSA-N 1 1 304.390 3.027 20 5 DGBDMO Cc1ncc([N+](=O)[O-])n1CC[N@H+]1C[C@H](C)C[C@@H]1c1ccccc1 ZINC000878612600 624321833 /nfs/dbraw/zinc/32/18/33/624321833.db2.gz RNZHGJQPPCIHBA-CZUORRHYSA-N 1 1 314.389 3.183 20 5 DGBDMO C[C@H](CNCc1ccc([N+](=O)[O-])c(Cl)c1)[NH+]1CCCCC1 ZINC000783599015 624373368 /nfs/dbraw/zinc/37/33/68/624373368.db2.gz RUKLZZYWUOAFBC-GFCCVEGCSA-N 1 1 311.813 3.212 20 5 DGBDMO C[C@@H](CO)[N@@H+](Cc1cc(Cl)ccc1[N+](=O)[O-])C1CCCC1 ZINC000805752099 624396865 /nfs/dbraw/zinc/39/68/65/624396865.db2.gz XYOKYJKLIAJQQZ-NSHDSACASA-N 1 1 312.797 3.374 20 5 DGBDMO C[NH+]1CCC2(CCN(Cc3ccc(F)cc3[N+](=O)[O-])CC2)CC1 ZINC000879251523 624464958 /nfs/dbraw/zinc/46/49/58/624464958.db2.gz XFMCDNUYDLDXAS-UHFFFAOYSA-N 1 1 321.396 3.042 20 5 DGBDMO C[C@@H](c1ccccc1[N+](=O)[O-])[N@H+]1CCC[C@H](C2(C)OCCO2)C1 ZINC000784579612 624551902 /nfs/dbraw/zinc/55/19/02/624551902.db2.gz WQWRLAARNBPYSL-KBPBESRZSA-N 1 1 320.389 3.131 20 5 DGBDMO COC(=O)CC[C@H]1CCC[N@H+]([C@@H](C)c2cccc([N+](=O)[O-])c2)C1 ZINC000880037287 624763202 /nfs/dbraw/zinc/76/32/02/624763202.db2.gz HZMOIKQPNJHEMM-UONOGXRCSA-N 1 1 320.389 3.321 20 5 DGBDMO O=[N+]([O-])c1ccc(F)cc1C[N@H+]1CC[C@H](c2nccs2)C1 ZINC000880316779 624914231 /nfs/dbraw/zinc/91/42/31/624914231.db2.gz LAPMGZDCTLBTAP-JTQLQIEISA-N 1 1 307.350 3.180 20 5 DGBDMO Cc1ccc(C[N@H+]2CC[C@@H](c3nccs3)C2)cc1[N+](=O)[O-] ZINC000880323235 624918055 /nfs/dbraw/zinc/91/80/55/624918055.db2.gz PRVIZSBHRJBJBU-CYBMUJFWSA-N 1 1 303.387 3.349 20 5 DGBDMO CN(CCCC[NH+]1CCCCC1)Cc1ccc([N+](=O)[O-])c(F)c1 ZINC000880517790 624971198 /nfs/dbraw/zinc/97/11/98/624971198.db2.gz XCDRHEZYSGWRIG-UHFFFAOYSA-N 1 1 323.412 3.432 20 5 DGBDMO C[C@@H](N[C@@H](CC[NH+](C)C)C(C)(C)C)c1ccc(N)c([N+](=O)[O-])c1 ZINC000788613562 625229928 /nfs/dbraw/zinc/22/99/28/625229928.db2.gz YEIIFHQWIWMTEN-WBMJQRKESA-N 1 1 322.453 3.194 20 5 DGBDMO C[C@@H]([NH2+][C@@H](CCN(C)C)C(C)(C)C)c1ccc(N)c([N+](=O)[O-])c1 ZINC000788613562 625229932 /nfs/dbraw/zinc/22/99/32/625229932.db2.gz YEIIFHQWIWMTEN-WBMJQRKESA-N 1 1 322.453 3.194 20 5 DGBDMO CC[N@@H+](CC(=O)Nc1ccc(C(C)(C)C)c([N+](=O)[O-])c1)C1CC1 ZINC000791439539 625803005 /nfs/dbraw/zinc/80/30/05/625803005.db2.gz LZXIBJUPFUMBQK-UHFFFAOYSA-N 1 1 319.405 3.315 20 5 DGBDMO O=[N+]([O-])c1ccc(F)cc1C[N@H+]1CC[C@H](c2ccccn2)C1 ZINC000799196811 626280978 /nfs/dbraw/zinc/28/09/78/626280978.db2.gz XMKVHXBWVTUHQJ-LBPRGKRZSA-N 1 1 301.321 3.118 20 5 DGBDMO CCO[C@@H]1C[C@@H]([N@@H+](C)Cc2ccc([N+](=O)[O-])c(F)c2)C1(C)C ZINC000801517178 626406777 /nfs/dbraw/zinc/40/67/77/626406777.db2.gz AMIUDCFUOILNHD-HUUCEWRRSA-N 1 1 310.369 3.369 20 5 DGBDMO CC[N@H+]1CC[C@H](N(C)Cc2ccc([N+](=O)[O-])c(F)c2)C[C@H]1C ZINC000801519396 626407429 /nfs/dbraw/zinc/40/74/29/626407429.db2.gz NDTYGDYVWNHLSV-OCCSQVGLSA-N 1 1 309.385 3.039 20 5 DGBDMO CC(=O)c1cc([N+](=O)[O-])ccc1NCCC[N@@H+]1CCCC[C@H]1C ZINC000804330109 626670129 /nfs/dbraw/zinc/67/01/29/626670129.db2.gz LIMQESHKMFFBCP-CYBMUJFWSA-N 1 1 319.405 3.474 20 5 DGBDMO C[C@H](C[N@H+]1CCC[C@@H](C)C1)Nc1c([N+](=O)[O-])cccc1[N+](=O)[O-] ZINC000804372052 626674154 /nfs/dbraw/zinc/67/41/54/626674154.db2.gz HYVPBHPMUMNDOQ-VXGBXAGGSA-N 1 1 322.365 3.035 20 5 DGBDMO C[N@@H+](CC1CC1)C[C@@H]1CCN(c2cc(Cl)ccc2[N+](=O)[O-])C1 ZINC000804529546 626689924 /nfs/dbraw/zinc/68/99/24/626689924.db2.gz CGYLSJSAUDISRG-ZDUSSCGKSA-N 1 1 323.824 3.416 20 5 DGBDMO C[C@H]1C[N@@H+](C)CC[C@H]1N(C)Cc1ccc([N+](=O)[O-])c(Cl)c1 ZINC000809766464 626949453 /nfs/dbraw/zinc/94/94/53/626949453.db2.gz XYFIINSNHRDQRN-SMDDNHRTSA-N 1 1 311.813 3.020 20 5 DGBDMO C[C@H]1CN(C)CC[C@H]1[N@H+](C)Cc1ccc([N+](=O)[O-])c(Cl)c1 ZINC000809766464 626949457 /nfs/dbraw/zinc/94/94/57/626949457.db2.gz XYFIINSNHRDQRN-SMDDNHRTSA-N 1 1 311.813 3.020 20 5 DGBDMO C[C@H]1CN(C)CC[C@H]1[N@@H+](C)Cc1ccc([N+](=O)[O-])c(Cl)c1 ZINC000809766464 626949461 /nfs/dbraw/zinc/94/94/61/626949461.db2.gz XYFIINSNHRDQRN-SMDDNHRTSA-N 1 1 311.813 3.020 20 5 DGBDMO O=[N+]([O-])c1ccc2c(cnn2C[N@H+]2CC[C@@H](C3CCC3)C2)c1 ZINC000840190290 626967596 /nfs/dbraw/zinc/96/75/96/626967596.db2.gz VIARKBLDZJBPJF-CYBMUJFWSA-N 1 1 300.362 3.024 20 5 DGBDMO CC[C@@H](C)[N@@H+](CCO)Cc1cc(Cl)cc(Cl)c1[N+](=O)[O-] ZINC000810017727 626968983 /nfs/dbraw/zinc/96/89/83/626968983.db2.gz HWARKYVHEXXLDG-SECBINFHSA-N 1 1 321.204 3.494 20 5 DGBDMO C[N@H+](Cc1cc([N+](=O)[O-])ccc1Cl)C[C@H]1C[C@@]12CCOC2 ZINC000886046857 627093070 /nfs/dbraw/zinc/09/30/70/627093070.db2.gz RAEBBOHEVJPEPE-IUODEOHRSA-N 1 1 310.781 3.107 20 5 DGBDMO O=[N+]([O-])c1ncccc1C[NH2+]C1(c2ccc(F)cc2)CCC1 ZINC000886059775 627096172 /nfs/dbraw/zinc/09/61/72/627096172.db2.gz LNNLZFSXPYMNSM-UHFFFAOYSA-N 1 1 301.321 3.298 20 5 DGBDMO C[C@@H](Cc1cccc(F)c1)[N@@H+](C)Cc1cccnc1[N+](=O)[O-] ZINC000886243005 627126579 /nfs/dbraw/zinc/12/65/79/627126579.db2.gz LRWYAKGOFBPPAM-LBPRGKRZSA-N 1 1 303.337 3.192 20 5 DGBDMO O=[N+]([O-])c1ncccc1C[N@H+]1CCCC[C@H](C2CCOCC2)C1 ZINC000886320054 627136528 /nfs/dbraw/zinc/13/65/28/627136528.db2.gz ZEBCAHMUBPXPEV-HNNXBMFYSA-N 1 1 319.405 3.019 20 5 DGBDMO Cc1ccccc1[C@@H](CO)[N@@H+](C)Cc1cccc([N+](=O)[O-])c1 ZINC000886431859 627148523 /nfs/dbraw/zinc/14/85/23/627148523.db2.gz ITOSKJKWCDHJFU-QGZVFWFLSA-N 1 1 300.358 3.069 20 5 DGBDMO CC(C)[C@@H]([NH2+]Cc1ccc([N+](=O)[O-])cc1Cl)c1cnn(C)c1 ZINC000886591857 627168655 /nfs/dbraw/zinc/16/86/55/627168655.db2.gz DDNIBQJQJSQFNH-OAHLLOKOSA-N 1 1 322.796 3.469 20 5 DGBDMO CCC[N@@H+](CC)C[C@@H](C)Nc1cc(OC)cc(F)c1[N+](=O)[O-] ZINC000811866558 627331827 /nfs/dbraw/zinc/33/18/27/627331827.db2.gz GKELHIGLLJTJPV-LLVKDONJSA-N 1 1 313.373 3.275 20 5 DGBDMO C/C=C(\CC)C(=O)O[C@H]1CC[N@H+](Cc2cccc([N+](=O)[O-])c2)C1 ZINC000813174589 627462303 /nfs/dbraw/zinc/46/23/03/627462303.db2.gz YWUAKOBJGZNPEU-TYMUOXQOSA-N 1 1 318.373 3.069 20 5 DGBDMO C/C=C(\CC)C(=O)O[C@H]1CC[N@@H+](Cc2cccc([N+](=O)[O-])c2)C1 ZINC000813174589 627462304 /nfs/dbraw/zinc/46/23/04/627462304.db2.gz YWUAKOBJGZNPEU-TYMUOXQOSA-N 1 1 318.373 3.069 20 5 DGBDMO Cc1cc(-c2noc([C@@H]3CCC[N@@H+]3C(C)C)n2)cc([N+](=O)[O-])c1 ZINC000924092770 627601086 /nfs/dbraw/zinc/60/10/86/627601086.db2.gz IAMCYCCAHMURRB-AWEZNQCLSA-N 1 1 316.361 3.499 20 5 DGBDMO O=[N+]([O-])c1cc(C[N@@H+]2CCC[C@@H](CCO)CC2)ccc1Cl ZINC000817297522 627879886 /nfs/dbraw/zinc/87/98/86/627879886.db2.gz RWPFIZOSQWLFLN-GFCCVEGCSA-N 1 1 312.797 3.233 20 5 DGBDMO C[C@H]([NH2+]C1([C@@H]2CCCCO2)CC1)c1c(F)cccc1[N+](=O)[O-] ZINC000927159356 628028946 /nfs/dbraw/zinc/02/89/46/628028946.db2.gz NMANFUWCAIPORO-FZMZJTMJSA-N 1 1 308.353 3.486 20 5 DGBDMO CCc1nc(C[NH2+]C/C(C)=C/c2cccc([N+](=O)[O-])c2)co1 ZINC000825062527 628724114 /nfs/dbraw/zinc/72/41/14/628724114.db2.gz ZLNXWXSYZZUPKO-KPKJPENVSA-N 1 1 301.346 3.338 20 5 DGBDMO OCC1(CO)CC[N@@H+](Cc2c3ccccc3cc3ccccc32)C1 ZINC000827480290 628963014 /nfs/dbraw/zinc/96/30/14/628963014.db2.gz AJNWMZMIFWTKPO-UHFFFAOYSA-N 1 1 321.420 3.170 20 5 DGBDMO O=[N+]([O-])c1ccc(C[N@@H+]2CC[C@H](Oc3ccccc3)C2)cc1F ZINC000829101586 629129506 /nfs/dbraw/zinc/12/95/06/629129506.db2.gz XNBJHIQQIUENAT-HNNXBMFYSA-N 1 1 316.332 3.387 20 5 DGBDMO O=[N+]([O-])c1ccc(C[N@H+]2CC[C@H](Oc3ccccc3)C2)cc1F ZINC000829101586 629129508 /nfs/dbraw/zinc/12/95/08/629129508.db2.gz XNBJHIQQIUENAT-HNNXBMFYSA-N 1 1 316.332 3.387 20 5 DGBDMO CC(C)[N@H+]1CC[C@@H](N(C)c2nc3ccc([N+](=O)[O-])cc3s2)C1 ZINC000829572677 629170750 /nfs/dbraw/zinc/17/07/50/629170750.db2.gz SNVPVNWNKFBTLV-GFCCVEGCSA-N 1 1 320.418 3.123 20 5 DGBDMO O=[N+]([O-])c1ccc([C@@H](O)C[N@H+]2CCCC[C@@H]2C2CCC2)cc1 ZINC000830989211 629327127 /nfs/dbraw/zinc/32/71/27/629327127.db2.gz UMGFSXXFTAHBFP-SJORKVTESA-N 1 1 304.390 3.283 20 5 DGBDMO O=[N+]([O-])c1ccc(C[N@H+]2CCC[C@]3(CCSC3)C2)cc1F ZINC000832510924 629491528 /nfs/dbraw/zinc/49/15/28/629491528.db2.gz IUABOVATESUXLA-HNNXBMFYSA-N 1 1 310.394 3.453 20 5 DGBDMO CC(C)[C@@H]1C[N@@H+](C[C@H](O)c2ccc([N+](=O)[O-])cc2)[C@H]1C(C)C ZINC000834387277 629703198 /nfs/dbraw/zinc/70/31/98/629703198.db2.gz FEBWZOCZSIQSKE-ULQDDVLXSA-N 1 1 306.406 3.241 20 5 DGBDMO O=[N+]([O-])c1ccc2c(cnn2C[N@H+]2CCC[C@H]2C2CCC2)c1 ZINC000102886024 630302712 /nfs/dbraw/zinc/30/27/12/630302712.db2.gz WETJWZLMJPIBPX-HNNXBMFYSA-N 1 1 300.362 3.167 20 5 DGBDMO CC[N@@H+](CCSC)Cn1cc(-c2ccc([N+](=O)[O-])cc2)cn1 ZINC000842645341 630557774 /nfs/dbraw/zinc/55/77/74/630557774.db2.gz XGYGHUQOFBJDHQ-UHFFFAOYSA-N 1 1 320.418 3.101 20 5 DGBDMO CC(C)Cn1nccc1C[NH2+]Cc1cc([N+](=O)[O-])ccc1Cl ZINC000842689164 630563679 /nfs/dbraw/zinc/56/36/79/630563679.db2.gz VZDVCBYYEISDSD-UHFFFAOYSA-N 1 1 322.796 3.391 20 5 DGBDMO O=[N+]([O-])c1ccc(Cl)c(CN2CCC[C@@H]([C@@H]3CC[NH2+]C3)C2)c1 ZINC000843125821 630616387 /nfs/dbraw/zinc/61/63/87/630616387.db2.gz JHOFBBMNXKYEDL-CHWSQXEVSA-N 1 1 323.824 3.070 20 5 DGBDMO CC(C)[C@H]1[N@@H+](C[C@H](O)c2cccc([N+](=O)[O-])c2)CC12CC=CC2 ZINC000843296494 630643378 /nfs/dbraw/zinc/64/33/78/630643378.db2.gz MGXXSBCSROUPDI-DLBZAZTESA-N 1 1 316.401 3.305 20 5 DGBDMO C[C@H](CO)C1CC[NH+](Cc2ccc(Cl)c([N+](=O)[O-])c2)CC1 ZINC000844415311 630726988 /nfs/dbraw/zinc/72/69/88/630726988.db2.gz CIWDMUQJZRQZMA-LLVKDONJSA-N 1 1 312.797 3.089 20 5 DGBDMO COc1ccc(C[N@H+]2CCC[C@]3(CC3(F)F)C2)cc1[N+](=O)[O-] ZINC000844437235 630729241 /nfs/dbraw/zinc/72/92/41/630729241.db2.gz JCJRZGXPGSUZLL-AWEZNQCLSA-N 1 1 312.316 3.225 20 5 DGBDMO O=[N+]([O-])c1ccc2[nH]c(C[N@@H+]3CCC[C@]4(CC4(F)F)C3)nc2c1 ZINC000844441688 630730406 /nfs/dbraw/zinc/73/04/06/630730406.db2.gz QXIUNSKYWUJWIL-AWEZNQCLSA-N 1 1 322.315 3.092 20 5 DGBDMO O=[N+]([O-])c1ccc2[nH]c(C[N@H+]3CCC[C@]4(CC4(F)F)C3)nc2c1 ZINC000844441688 630730407 /nfs/dbraw/zinc/73/04/07/630730407.db2.gz QXIUNSKYWUJWIL-AWEZNQCLSA-N 1 1 322.315 3.092 20 5 DGBDMO CC(C)C[N@@H+](C)CCCNCc1ccc([N+](=O)[O-])c(Cl)c1 ZINC000845996373 631205022 /nfs/dbraw/zinc/20/50/22/631205022.db2.gz NWWIDEXWBHGICE-UHFFFAOYSA-N 1 1 313.829 3.316 20 5 DGBDMO O=[N+]([O-])c1ccc(C[N@H+]2CC[C@@H](c3ccncc3)C2)cc1F ZINC000846907458 631348729 /nfs/dbraw/zinc/34/87/29/631348729.db2.gz HJSUZJYZAHBYHQ-CQSZACIVSA-N 1 1 301.321 3.118 20 5 DGBDMO Cc1ccnc([C@@H]2CC[N@@H+](Cc3cc(F)ccc3[N+](=O)[O-])C2)c1 ZINC000846970896 631369799 /nfs/dbraw/zinc/36/97/99/631369799.db2.gz BMXMYHUYJYCWGO-CYBMUJFWSA-N 1 1 315.348 3.427 20 5 DGBDMO CC(C)c1ccc(C(=O)OCC[C@@H]2CC[N@@H+](C)C2)cc1[N+](=O)[O-] ZINC000847822053 631548002 /nfs/dbraw/zinc/54/80/02/631548002.db2.gz SQLRLZMPTHDEFM-ZDUSSCGKSA-N 1 1 320.389 3.217 20 5 DGBDMO O=[N+]([O-])c1ccccc1-c1cnn(C[N@H+]2CC[C@@H](C3CC3)C2)c1 ZINC000848481695 631668997 /nfs/dbraw/zinc/66/89/97/631668997.db2.gz BQLMMKCZOSYXIQ-CQSZACIVSA-N 1 1 312.373 3.148 20 5 DGBDMO C[C@H]1C[C@H]1C(N)=[NH+]OCc1cc([N+](=O)[O-])ccc1C(F)(F)F ZINC000848516951 631673125 /nfs/dbraw/zinc/67/31/25/631673125.db2.gz BTDNAWUROUEWBG-OIBJUYFYSA-N 1 1 317.267 3.268 20 5 DGBDMO CC(C)(C)[N@H+]1CC[C@H]1CNCc1cc([N+](=O)[O-])ccc1Cl ZINC000850341757 632118244 /nfs/dbraw/zinc/11/82/44/632118244.db2.gz AGMNCENWSWZSEF-ZDUSSCGKSA-N 1 1 311.813 3.211 20 5 DGBDMO CC(C)(C)N1CC[C@H]1C[NH2+]Cc1cc([N+](=O)[O-])ccc1Cl ZINC000850341757 632118250 /nfs/dbraw/zinc/11/82/50/632118250.db2.gz AGMNCENWSWZSEF-ZDUSSCGKSA-N 1 1 311.813 3.211 20 5 DGBDMO O=[N+]([O-])c1ccc(C[NH2+][C@@H]2C[C@@H](O)c3ccccc32)c(F)c1 ZINC000850372343 632129904 /nfs/dbraw/zinc/12/99/04/632129904.db2.gz TUPOGWGCUZMZDE-HZPDHXFCSA-N 1 1 302.305 3.002 20 5 DGBDMO C[N@H+]1CC[C@@]2(C1)CCCN(Cc1cc(Cl)ccc1[N+](=O)[O-])C2 ZINC000852108813 632556576 /nfs/dbraw/zinc/55/65/76/632556576.db2.gz NGEXYPACTIZBHW-MRXNPFEDSA-N 1 1 323.824 3.166 20 5 DGBDMO O=[N+]([O-])c1cc(F)ccc1C[N@@H+]1CCC[C@]2(CC2(F)F)C1 ZINC000852213653 632572652 /nfs/dbraw/zinc/57/26/52/632572652.db2.gz NNBVVFYEPFAYOG-ZDUSSCGKSA-N 1 1 300.280 3.355 20 5 DGBDMO O=[N+]([O-])c1cc(F)ccc1C[N@H+]1CCC[C@]2(CC2(F)F)C1 ZINC000852213653 632572658 /nfs/dbraw/zinc/57/26/58/632572658.db2.gz NNBVVFYEPFAYOG-ZDUSSCGKSA-N 1 1 300.280 3.355 20 5 DGBDMO C[C@@H](CO)[C@H]1CCCC[N@H+]1Cc1ccc(Cl)c([N+](=O)[O-])c1 ZINC000852425292 632602626 /nfs/dbraw/zinc/60/26/26/632602626.db2.gz JEQNUEKDWTYHBE-SMDDNHRTSA-N 1 1 312.797 3.231 20 5 DGBDMO C[C@@H]1CCC[N@@H+](Cc2ccc(Cl)c([N+](=O)[O-])c2)[C@@H]1CCO ZINC000852458143 632606059 /nfs/dbraw/zinc/60/60/59/632606059.db2.gz BMYDAVKIWORVBH-BXUZGUMPSA-N 1 1 312.797 3.231 20 5 DGBDMO CC(C)C[N@@H+]1CCc2c(Br)ccc([N+](=O)[O-])c2C1 ZINC000792899170 660992369 /nfs/dbraw/zinc/99/23/69/660992369.db2.gz PAYJUIHFLVHEDY-UHFFFAOYSA-N 1 1 313.195 3.371 20 5 DGBDMO CC(C)C[N@H+]1CCc2c(Br)ccc([N+](=O)[O-])c2C1 ZINC000792899170 660992370 /nfs/dbraw/zinc/99/23/70/660992370.db2.gz PAYJUIHFLVHEDY-UHFFFAOYSA-N 1 1 313.195 3.371 20 5 DGBDMO O=[N+]([O-])c1ccc(Cl)c(C[N@@H+]2CCCCC[C@@H]2CCO)c1 ZINC000792924486 660994092 /nfs/dbraw/zinc/99/40/92/660994092.db2.gz ILLDXGFIYSTGTP-CYBMUJFWSA-N 1 1 312.797 3.375 20 5 DGBDMO O=[N+]([O-])c1ccc(Cl)cc1C[N@H+]1CC[C@@]2(C1)CCCOC2 ZINC000792945015 660996182 /nfs/dbraw/zinc/99/61/82/660996182.db2.gz ZZXZTRMCFVZAEE-OAHLLOKOSA-N 1 1 310.781 3.251 20 5 DGBDMO NC(=O)[C@H]1CCC[N@H+]1Cc1c2ccccc2cc2ccccc21 ZINC000160338460 655610206 /nfs/dbraw/zinc/61/02/06/655610206.db2.gz RHCYDRLFILAYCO-LJQANCHMSA-N 1 1 304.393 3.443 20 5 DGBDMO O=[N+]([O-])c1cccc(F)c1C[N@H+]1CCCSC[C@H]1C1CC1 ZINC000933916106 655738288 /nfs/dbraw/zinc/73/82/88/655738288.db2.gz OMNLQOFBGSVORH-HNNXBMFYSA-N 1 1 310.394 3.451 20 5 DGBDMO CCCC[N@@H+](C)[C@H](C)C(=O)Nc1cc([N+](=O)[O-])ccc1Cl ZINC000023991694 656051806 /nfs/dbraw/zinc/05/18/06/656051806.db2.gz CGEKOTGQOVKLDB-SNVBAGLBSA-N 1 1 313.785 3.307 20 5 DGBDMO C[C@H](C1CC1)[N@@H+](Cc1ccccc1)Cn1nccc1[N+](=O)[O-] ZINC000123709959 656182667 /nfs/dbraw/zinc/18/26/67/656182667.db2.gz LPGCDAYCTLOEHZ-CYBMUJFWSA-N 1 1 300.362 3.050 20 5 DGBDMO C[C@H](C1CC1)[N@H+](Cc1ccccc1)Cn1nccc1[N+](=O)[O-] ZINC000123709959 656182669 /nfs/dbraw/zinc/18/26/69/656182669.db2.gz LPGCDAYCTLOEHZ-CYBMUJFWSA-N 1 1 300.362 3.050 20 5 DGBDMO O=[N+]([O-])c1c(F)cccc1N[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000057127602 659004530 /nfs/dbraw/zinc/00/45/30/659004530.db2.gz YSFKOTPBTHMSNV-AWEZNQCLSA-N 1 1 315.348 3.420 20 5 DGBDMO CC[N@H+](Cc1cccc([N+](=O)[O-])c1)C[C@@H](O)c1ccc(C)cc1 ZINC000174726221 659541873 /nfs/dbraw/zinc/54/18/73/659541873.db2.gz GVSICBALQXOIFR-GOSISDBHSA-N 1 1 314.385 3.459 20 5 DGBDMO CC[C@@H](C)C[N@@H+](CC)Cn1cc([N+](=O)[O-])c(-c2ccncc2)n1 ZINC000174942676 659913929 /nfs/dbraw/zinc/91/39/29/659913929.db2.gz SZFBNBXIIZHYHU-CYBMUJFWSA-N 1 1 317.393 3.179 20 5 DGBDMO C[C@@H]([NH2+]CC[N+](=O)[O-])c1ccccc1OCc1ccccc1 ZINC000930212289 661378219 /nfs/dbraw/zinc/37/82/19/661378219.db2.gz PSPHOHGWNNTADI-CQSZACIVSA-N 1 1 300.358 3.193 20 5 DGBDMO O=[N+]([O-])c1ccc([C@@H]2CCC[N@@H+](CCc3ccns3)C2)cc1 ZINC000930641738 661417962 /nfs/dbraw/zinc/41/79/62/661417962.db2.gz YMMLNNRAVVPPBV-CQSZACIVSA-N 1 1 317.414 3.473 20 5 DGBDMO Cc1ccc([N+](=O)[O-])cc1[C@@H](C)[N@H+]1Cc2c[nH]nc2[C@@H](C)C1 ZINC000931459916 661478660 /nfs/dbraw/zinc/47/86/60/661478660.db2.gz CLCFDGTWINGCOC-NWDGAFQWSA-N 1 1 300.362 3.307 20 5 DGBDMO Cc1ccc([N+](=O)[O-])cc1[C@@H](C)[N@@H+]1Cc2c[nH]nc2[C@@H](C)C1 ZINC000931459916 661478662 /nfs/dbraw/zinc/47/86/62/661478662.db2.gz CLCFDGTWINGCOC-NWDGAFQWSA-N 1 1 300.362 3.307 20 5 DGBDMO C[C@@H](c1ccccc1)[C@@H]1CCC[N@H+]1CCn1cc([N+](=O)[O-])cn1 ZINC000932277529 661556176 /nfs/dbraw/zinc/55/61/76/661556176.db2.gz VODDGSRULFSVRH-YOEHRIQHSA-N 1 1 314.389 3.059 20 5 DGBDMO O=[N+]([O-])c1cc(F)ccc1C[NH2+][C@H](c1ccccn1)C1CC1 ZINC000932386483 661565402 /nfs/dbraw/zinc/56/54/02/661565402.db2.gz PUPMSSKXILDJPA-INIZCTEOSA-N 1 1 301.321 3.370 20 5 DGBDMO O=[N+]([O-])c1ccc(C[N@H+]2CCC[C@H](C3CCOCC3)C2)cc1 ZINC000933083811 661616989 /nfs/dbraw/zinc/61/69/89/661616989.db2.gz YZRYUDWWJKIROM-INIZCTEOSA-N 1 1 304.390 3.233 20 5 DGBDMO C[C@@H]([NH2+]Cc1csc([N+](=O)[O-])c1)c1ccc2c(c1)CCO2 ZINC000933494995 661637870 /nfs/dbraw/zinc/63/78/70/661637870.db2.gz TZJZDGDIVDWXHB-SNVBAGLBSA-N 1 1 304.371 3.442 20 5 DGBDMO CO[C@H]1CC[C@H]1[N@@H+](C)Cc1cc([N+](=O)[O-])ccc1C(F)(F)F ZINC000934112061 661681003 /nfs/dbraw/zinc/68/10/03/661681003.db2.gz QKZSVJBBYULFOP-OLZOCXBDSA-N 1 1 318.295 3.223 20 5 DGBDMO O=C(C[N@H+]1CC[C@@H]2CCC[C@@H]21)Nc1cc(Cl)ccc1[N+](=O)[O-] ZINC000934339093 661699172 /nfs/dbraw/zinc/69/91/72/661699172.db2.gz CPDCISHVSKPJMV-GWCFXTLKSA-N 1 1 323.780 3.061 20 5 DGBDMO O=[N+]([O-])c1ccc(C[N@H+]2CCCC[C@H]([C@H]3CCOC3)C2)cc1 ZINC000934837654 661739206 /nfs/dbraw/zinc/73/92/06/661739206.db2.gz UZWDVOKYIMPCCW-HOTGVXAUSA-N 1 1 304.390 3.233 20 5 DGBDMO O=[N+]([O-])c1cccc(C[N@H+]2CCCC[C@@H]([C@H]3CCOC3)C2)c1 ZINC000934840104 661740337 /nfs/dbraw/zinc/74/03/37/661740337.db2.gz BDFLCVKNRKTUFP-CVEARBPZSA-N 1 1 304.390 3.233 20 5 DGBDMO CC(C)[N@H+]1CC[C@H](CNCc2cc(Cl)ccc2[N+](=O)[O-])C1 ZINC000084439992 662201008 /nfs/dbraw/zinc/20/10/08/662201008.db2.gz WTQIOECLIJZFOC-GFCCVEGCSA-N 1 1 311.813 3.068 20 5 DGBDMO O=[N+]([O-])c1cccc([C@H](O)C[N@H+]2CCC[C@H]2C2CCCC2)c1 ZINC000246361441 662255369 /nfs/dbraw/zinc/25/53/69/662255369.db2.gz XMFSMHUWUIJPEL-DLBZAZTESA-N 1 1 304.390 3.283 20 5 DGBDMO CC(C)C[N@@H+](C)Cc1ccc(Br)c([N+](=O)[O-])c1 ZINC000159415632 685099005 /nfs/dbraw/zinc/09/90/05/685099005.db2.gz AFRSGTMQFRBZBZ-UHFFFAOYSA-N 1 1 301.184 3.445 20 5 DGBDMO C[C@@]1(Cc2ccc(F)c(Cl)c2)CCC[N@@H+]1CC[N+](=O)[O-] ZINC001620504368 1191958636 /nfs/dbraw/zinc/95/86/36/1191958636.db2.gz QBHBDFUBVXDGHT-AWEZNQCLSA-N 1 1 300.761 3.153 20 5 DGBDMO C[C@@]1(Cc2ccc(F)c(Cl)c2)CCC[N@H+]1CC[N+](=O)[O-] ZINC001620504368 1191958639 /nfs/dbraw/zinc/95/86/39/1191958639.db2.gz QBHBDFUBVXDGHT-AWEZNQCLSA-N 1 1 300.761 3.153 20 5 DGBDMO CC[N@H+]1CCC[C@H](CN[C@H](C)c2c(F)cccc2[N+](=O)[O-])C1 ZINC001332280173 1178410682 /nfs/dbraw/zinc/41/06/82/1178410682.db2.gz ZXTAPDFZOBDCDC-CHWSQXEVSA-N 1 1 309.385 3.116 20 5 DGBDMO COC1CCC(C[N@H+]2CCc3ccc([N+](=O)[O-])cc3C2)CC1 ZINC001335422009 1178908076 /nfs/dbraw/zinc/90/80/76/1178908076.db2.gz PNCKYWGIBHMCOD-UHFFFAOYSA-N 1 1 304.390 3.158 20 5 DGBDMO C[C@@H]1C[C@H](C[N@H+]2CCc3ccc([N+](=O)[O-])cc3C2)C[C@H](C)O1 ZINC001351142209 1180178464 /nfs/dbraw/zinc/17/84/64/1180178464.db2.gz FZRZYQYOVIKASE-WDNDVIMCSA-N 1 1 304.390 3.157 20 5 DGBDMO C[N@H+]1CC[C@@H](NCc2cc([N+](=O)[O-])ccc2Cl)CC1(C)C ZINC001351315730 1180199352 /nfs/dbraw/zinc/19/93/52/1180199352.db2.gz QNSMIAFWFUILGI-GFCCVEGCSA-N 1 1 311.813 3.211 20 5 DGBDMO C[C@@H](Nc1cc(N)ccc1[N+](=O)[O-])[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC001354154835 1180732388 /nfs/dbraw/zinc/73/23/88/1180732388.db2.gz FJBFQXGCNYBJDA-CHWSQXEVSA-N 1 1 318.421 3.242 20 5 DGBDMO CC[C@H](OC(=O)[C@H]1CCC[N@@H+]1C(C)C)c1cccc([N+](=O)[O-])c1 ZINC001435751098 1181842209 /nfs/dbraw/zinc/84/22/09/1181842209.db2.gz ZTSSXJICNRFIIB-CVEARBPZSA-N 1 1 320.389 3.462 20 5 DGBDMO CC[C@H](OC(=O)[C@H]1CCC[N@H+]1C(C)C)c1cccc([N+](=O)[O-])c1 ZINC001435751098 1181842212 /nfs/dbraw/zinc/84/22/12/1181842212.db2.gz ZTSSXJICNRFIIB-CVEARBPZSA-N 1 1 320.389 3.462 20 5 DGBDMO CC[C@H]1CC[N@@H+](CCC(=O)Nc2cc([N+](=O)[O-])ccc2F)[C@@H]1C ZINC001459987441 1182637743 /nfs/dbraw/zinc/63/77/43/1182637743.db2.gz PLKPVBSULIPFRH-NEPJUHHUSA-N 1 1 323.368 3.183 20 5 DGBDMO C[N@@H+](CCc1cccc([N+](=O)[O-])c1)C[C@@H]1CCC(C)(C)CO1 ZINC001460008359 1182640101 /nfs/dbraw/zinc/64/01/01/1182640101.db2.gz URGUQEVEWNWVGR-INIZCTEOSA-N 1 1 306.406 3.274 20 5 DGBDMO C[N@@H+](CCc1cccc([N+](=O)[O-])c1)C[C@@H]1CC[C@H](C2CC2)O1 ZINC001460004926 1182640506 /nfs/dbraw/zinc/64/05/06/1182640506.db2.gz KXNYSTNBBMUXNE-DLBZAZTESA-N 1 1 304.390 3.027 20 5 DGBDMO COc1ccc([N+](=O)[O-])cc1C[N@H+]1CCSC[C@H]1C1CCC1 ZINC001460272544 1182669974 /nfs/dbraw/zinc/66/99/74/1182669974.db2.gz SVNGQGRZEVCMRG-HNNXBMFYSA-N 1 1 322.430 3.321 20 5 DGBDMO COc1cc([N+](=O)[O-])ccc1C[N@@H+](C)[C@H]1C[C@@](C)(OC)C1(C)C ZINC001473187891 1183725019 /nfs/dbraw/zinc/72/50/19/1183725019.db2.gz UJZXPVCWKQKKEH-DOTOQJQBSA-N 1 1 322.405 3.239 20 5 DGBDMO C[C@H]1[C@@H](c2ccccc2)c2ccccc2CC[N@H+]1CC[N+](=O)[O-] ZINC001473286818 1183739381 /nfs/dbraw/zinc/73/93/81/1183739381.db2.gz NUEYNAXXCBSNAO-KXBFYZLASA-N 1 1 310.397 3.342 20 5 DGBDMO O=[N+]([O-])c1ccc(OCC[N@@H+](Cc2ccoc2)C2CC2)cc1 ZINC001473830942 1183809995 /nfs/dbraw/zinc/80/99/95/1183809995.db2.gz SDSAGADZWSCBSA-UHFFFAOYSA-N 1 1 302.330 3.231 20 5 DGBDMO C[N@H+]1C[C@@H]2CC[C@@H](Nc3ccc(C(F)F)cc3[N+](=O)[O-])[C@@H]2C1 ZINC001516431423 1186783749 /nfs/dbraw/zinc/78/37/49/1186783749.db2.gz OODVOYOCBQODMH-QJPTWQEYSA-N 1 1 311.332 3.285 20 5 DGBDMO C[N@H+]1C[C@@H]2CC[C@@H](Nc3ccc(C(F)F)cc3[N+](=O)[O-])[C@H]2C1 ZINC001516431424 1186783899 /nfs/dbraw/zinc/78/38/99/1186783899.db2.gz OODVOYOCBQODMH-SDDRHHMPSA-N 1 1 311.332 3.285 20 5 DGBDMO CCC[N@@H+](CC)C[C@H](C)Nc1c2ccccc2ncc1[N+](=O)[O-] ZINC001612450089 1193452690 /nfs/dbraw/zinc/45/26/90/1193452690.db2.gz CSSIIGVUZQWLOS-ZDUSSCGKSA-N 1 1 316.405 3.097 20 5 DGBDMO CC1(C)CC[N@@H+](CCNc2nc3c(cc2[N+](=O)[O-])CCCC3)C1 ZINC001613056543 1193466253 /nfs/dbraw/zinc/46/62/53/1193466253.db2.gz BYCZTHBTZNCIMD-UHFFFAOYSA-N 1 1 318.421 3.012 20 5 DGBDMO O=[N+]([O-])c1ccc(N[C@@H]2CC[N@@H+](CC34CCC(CC3)C4)C2)nc1 ZINC001615971674 1193531448 /nfs/dbraw/zinc/53/14/48/1193531448.db2.gz HLFFHNHGKCGVGX-XOYHFGRZSA-N 1 1 316.405 3.056 20 5 DGBDMO CC[C@H]1C[N@@H+](CC)CCN1Cc1cc([N+](=O)[O-])ccc1Cl ZINC001617910798 1193585846 /nfs/dbraw/zinc/58/58/46/1193585846.db2.gz LWRSTRRXWBACIO-ZDUSSCGKSA-N 1 1 311.813 3.164 20 5 DGBDMO CC[N@@H+](CCCNc1ccc([N+](=O)[O-])nc1)C1CCCCC1 ZINC001559230043 1189183981 /nfs/dbraw/zinc/18/39/81/1189183981.db2.gz SRXMULSWEGRRNV-UHFFFAOYSA-N 1 1 306.410 3.446 20 5 DGBDMO O=[N+]([O-])c1ncccc1C[NH+]1CCC(Oc2ccccc2)CC1 ZINC001559497911 1189209994 /nfs/dbraw/zinc/20/99/94/1189209994.db2.gz PPKPODVUDSZQDJ-UHFFFAOYSA-N 1 1 313.357 3.033 20 5 DGBDMO CC[C@H]1CC[N@@H+](Cc2cc(C(=O)OC)ccc2[N+](=O)[O-])[C@H]1C ZINC001559769759 1189240989 /nfs/dbraw/zinc/24/09/89/1189240989.db2.gz SEKDNZHKORNMRI-RYUDHWBXSA-N 1 1 306.362 3.002 20 5 DGBDMO O=[N+]([O-])c1ccc(OCC[N@H+]2CCSC[C@H]2C2CCC2)cc1 ZINC001559926489 1189257484 /nfs/dbraw/zinc/25/74/84/1189257484.db2.gz RNPCGPFMYMUCMV-INIZCTEOSA-N 1 1 322.430 3.191 20 5 DGBDMO Cn1cc(C[N@H+]2CCC[C@H](C3CCCCC3)C2)c([N+](=O)[O-])n1 ZINC001560026487 1189269921 /nfs/dbraw/zinc/26/99/21/1189269921.db2.gz XCVHLPCWYXUPCJ-AWEZNQCLSA-N 1 1 306.410 3.121 20 5 DGBDMO C[C@@H]([NH2+]Cc1cc(F)ccc1[N+](=O)[O-])c1ccc([N+](=O)[O-])cc1 ZINC001560132186 1189281966 /nfs/dbraw/zinc/28/19/66/1189281966.db2.gz SVCRWGZAUJGSHC-SNVBAGLBSA-N 1 1 319.292 3.493 20 5 DGBDMO O=[N+]([O-])c1cccc(CNC[C@H]2CC[N@H+]2C2CCCCCC2)c1 ZINC001560562534 1189341221 /nfs/dbraw/zinc/34/12/21/1189341221.db2.gz ZRDIQPZTVYNBLA-GOSISDBHSA-N 1 1 317.433 3.482 20 5 DGBDMO O=[N+]([O-])c1cccc(C[NH2+]C[C@H]2CCN2C2CCCCCC2)c1 ZINC001560562534 1189341224 /nfs/dbraw/zinc/34/12/24/1189341224.db2.gz ZRDIQPZTVYNBLA-GOSISDBHSA-N 1 1 317.433 3.482 20 5 DGBDMO COc1c(O)ccc(C[N@H+]2CCC[C@H]2C(C)(C)C)c1[N+](=O)[O-] ZINC001560667565 1189358774 /nfs/dbraw/zinc/35/87/74/1189358774.db2.gz LWLWWZPAISCJDO-ZDUSSCGKSA-N 1 1 308.378 3.320 20 5 DGBDMO C/C(=C\c1cccc([N+](=O)[O-])c1)C[N@H+]1CCC[C@@H](C(C)(C)O)C1 ZINC001560998396 1189418234 /nfs/dbraw/zinc/41/82/34/1189418234.db2.gz WPRHJFWYJWXRTF-HFQYIWAZSA-N 1 1 318.417 3.481 20 5 DGBDMO COc1c(O)ccc(C[N@@H+](C)C[C@H](C)C(C)(C)C)c1[N+](=O)[O-] ZINC001560999251 1189418455 /nfs/dbraw/zinc/41/84/55/1189418455.db2.gz QCENQHIGEPCHHF-NSHDSACASA-N 1 1 310.394 3.423 20 5 DGBDMO O=[N+]([O-])c1cc(Cl)ccc1C[N@@H+]1CC[C@H](c2ncccn2)C1 ZINC001620618920 1193783626 /nfs/dbraw/zinc/78/36/26/1193783626.db2.gz QKXYUQKXJSXUFI-LBPRGKRZSA-N 1 1 318.764 3.028 20 5 DGBDMO O=[N+]([O-])c1cc(Cl)ccc1C[N@H+]1CC[C@H](c2ncccn2)C1 ZINC001620618920 1193783630 /nfs/dbraw/zinc/78/36/30/1193783630.db2.gz QKXYUQKXJSXUFI-LBPRGKRZSA-N 1 1 318.764 3.028 20 5 DGBDMO Cc1ccc([N+](=O)[O-])c(C)c1CN[C@H](C)C[NH+]1CCCCC1 ZINC001620715152 1193794184 /nfs/dbraw/zinc/79/41/84/1193794184.db2.gz JWDTZPPAFUCEJI-CQSZACIVSA-N 1 1 305.422 3.176 20 5 DGBDMO CC(C)c1ccc(CN[C@@H]2CC[C@@H]3C[N@@H+](C)C[C@@H]23)cc1[N+](=O)[O-] ZINC001621108428 1193803430 /nfs/dbraw/zinc/80/34/30/1193803430.db2.gz OUUBKJKDWAIGTH-DJIMGWMZSA-N 1 1 317.433 3.148 20 5 DGBDMO COc1c(O)ccc(C[N@H+]2CC3(CCC3)[C@@H]2C(C)C)c1[N+](=O)[O-] ZINC001621361850 1193833413 /nfs/dbraw/zinc/83/34/13/1193833413.db2.gz RCXPFAYGPFCALM-INIZCTEOSA-N 1 1 320.389 3.320 20 5 DGBDMO CC[N@@H+](Cc1ccc(O)c(OC)c1[N+](=O)[O-])C1CC(C)(C)C1 ZINC001621388533 1193836423 /nfs/dbraw/zinc/83/64/23/1193836423.db2.gz MNWSLZQBFZLGPT-UHFFFAOYSA-N 1 1 308.378 3.320 20 5 DGBDMO CN(CC[N@@H+](C)C1CCCCC1)c1c(F)cccc1[N+](=O)[O-] ZINC001639349491 1194761459 /nfs/dbraw/zinc/76/14/59/1194761459.db2.gz HXXFLYKXFCKUGH-UHFFFAOYSA-N 1 1 309.385 3.435 20 5 DGBDMO C[C@@H]1CN(c2sccc2[N+](=O)[O-])CC[N@@H+]1Cc1ccccc1 ZINC001642793008 1194939423 /nfs/dbraw/zinc/93/94/23/1194939423.db2.gz GTNLGGCCLMMWAD-CYBMUJFWSA-N 1 1 317.414 3.367 20 5 DGBDMO C[C@@H]1CN(c2sccc2[N+](=O)[O-])CC[N@H+]1Cc1ccccc1 ZINC001642793008 1194939427 /nfs/dbraw/zinc/93/94/27/1194939427.db2.gz GTNLGGCCLMMWAD-CYBMUJFWSA-N 1 1 317.414 3.367 20 5 DGBDMO Cc1ccccc1[C@@H](CO)[NH2+]Cc1cc([N+](=O)[O-])ccc1Cl ZINC001645260331 1195170896 /nfs/dbraw/zinc/17/08/96/1195170896.db2.gz FYJXBZKVVJJOQS-MRXNPFEDSA-N 1 1 320.776 3.380 20 5 DGBDMO CC[C@@H]1CC[C@@H](C)[N@@H+](CC(=O)Nc2ccc([N+](=O)[O-])cc2C)C1 ZINC001647784207 1195253407 /nfs/dbraw/zinc/25/34/07/1195253407.db2.gz MLJTXOAJUGUFNL-ZIAGYGMSSA-N 1 1 319.405 3.352 20 5 DGBDMO C[N@H+]1C[C@@]2(C)CN(Cc3cc([N+](=O)[O-])ccc3Cl)C[C@@]2(C)C1 ZINC001647929575 1195265853 /nfs/dbraw/zinc/26/58/53/1195265853.db2.gz IUAUGWFOPUTPBG-IYBDPMFKSA-N 1 1 323.824 3.022 20 5 DGBDMO CCCC[N@H+]1CCCC[C@@H]1CNc1ccc([N+](=O)[O-])c(C)n1 ZINC001650697389 1195372047 /nfs/dbraw/zinc/37/20/47/1195372047.db2.gz PLWUBKHELZETLX-CQSZACIVSA-N 1 1 306.410 3.365 20 5 DGBDMO CN(C[C@@H]1CCC[N@H+]1C)c1c(Cl)cc([N+](=O)[O-])cc1Cl ZINC001651166353 1195422353 /nfs/dbraw/zinc/42/23/53/1195422353.db2.gz OCNBBUHSEINGLB-VIFPVBQESA-N 1 1 318.204 3.432 20 5 DGBDMO CC(C)(C)[N@H+]1CC[C@H](Nc2nc3c(cc2[N+](=O)[O-])CCCC3)C1 ZINC001651234676 1195430033 /nfs/dbraw/zinc/43/00/33/1195430033.db2.gz MAWCWEUZANCZRX-ZDUSSCGKSA-N 1 1 318.421 3.153 20 5 DGBDMO C[C@H]1[C@@H](Nc2cc(C(F)(F)F)ccc2[N+](=O)[O-])CC[N@H+]1C ZINC001651434769 1195460216 /nfs/dbraw/zinc/46/02/16/1195460216.db2.gz CPXDTYPHQIGOHH-WPRPVWTQSA-N 1 1 303.284 3.118 20 5 DGBDMO C[N@@H+](CCNc1ccc(F)cc1[N+](=O)[O-])Cc1ccc(F)cc1 ZINC001651600021 1195485634 /nfs/dbraw/zinc/48/56/34/1195485634.db2.gz KFMIHQZVVPQPAY-UHFFFAOYSA-N 1 1 321.327 3.417 20 5 DGBDMO Cc1cc(N2CC[N@H+](C)C3(CCCCC3)C2)ccc1[N+](=O)[O-] ZINC001651868003 1195517841 /nfs/dbraw/zinc/51/78/41/1195517841.db2.gz LWOOEYGKGBAKTA-UHFFFAOYSA-N 1 1 303.406 3.358 20 5 DGBDMO Cc1cc(N[C@H]2CCC[N@H+]3CCCC[C@H]23)c(F)cc1[N+](=O)[O-] ZINC001651993356 1195533248 /nfs/dbraw/zinc/53/32/48/1195533248.db2.gz QCAAPMTWSCSFQC-DZGCQCFKSA-N 1 1 307.369 3.471 20 5 DGBDMO Cc1cc(N[C@H]2CC[N@@H+](C)[C@H]2C)c([N+](=O)[O-])cc1C(F)(F)F ZINC001652248643 1195568400 /nfs/dbraw/zinc/56/84/00/1195568400.db2.gz KANNNLIGOIGDLQ-ONGXEEELSA-N 1 1 317.311 3.427 20 5 DGBDMO Cc1ncc([N+](=O)[O-])n1CC[N@@H+]1CCCC[C@H]1CCC(C)C ZINC001652814518 1195655345 /nfs/dbraw/zinc/65/53/45/1195655345.db2.gz DXPBUDHYAZUVOD-HNNXBMFYSA-N 1 1 308.426 3.390 20 5 DGBDMO CCCC[N@@H+](CCn1ccc([N+](=O)[O-])n1)[C@H]1CCC[C@@H](C)C1 ZINC001653736469 1195747456 /nfs/dbraw/zinc/74/74/56/1195747456.db2.gz ULQUCCNXZLYFBB-CABCVRRESA-N 1 1 308.426 3.472 20 5 DGBDMO Cc1ncc([N+](=O)[O-])n1CC[N@@H+]1CC[C@@H](C(C)(C)C)C[C@H]1C ZINC001653769926 1195748821 /nfs/dbraw/zinc/74/88/21/1195748821.db2.gz QRPGKRLDDJNXRN-TZMCWYRMSA-N 1 1 308.426 3.246 20 5 DGBDMO C[N@@H+](CCc1ccccc1[N+](=O)[O-])C1CC(OC(C)(C)C)C1 ZINC001654424744 1195802037 /nfs/dbraw/zinc/80/20/37/1195802037.db2.gz BCPOKLLEDPIYPR-UHFFFAOYSA-N 1 1 306.406 3.415 20 5 DGBDMO CC(C)(C)[C@H]1CC[N@@H+](CCOc2cccc([N+](=O)[O-])c2)CCO1 ZINC001655130893 1195881386 /nfs/dbraw/zinc/88/13/86/1195881386.db2.gz OBVCLWQNADFHPF-MRXNPFEDSA-N 1 1 322.405 3.111 20 5 DGBDMO Cc1c(CN2CC[N@H+](C)C[C@@H]2CC(C)C)cccc1[N+](=O)[O-] ZINC001655683367 1195949243 /nfs/dbraw/zinc/94/92/43/1195949243.db2.gz AJIWKODTLWXINS-INIZCTEOSA-N 1 1 305.422 3.065 20 5 DGBDMO Cc1c(C[N@H+]2CCN(C)C[C@@H]2CC(C)C)cccc1[N+](=O)[O-] ZINC001655683367 1195949248 /nfs/dbraw/zinc/94/92/48/1195949248.db2.gz AJIWKODTLWXINS-INIZCTEOSA-N 1 1 305.422 3.065 20 5 DGBDMO Cc1c(C[N@@H+]2CCN(C)C[C@@H]2CC(C)C)cccc1[N+](=O)[O-] ZINC001655683367 1195949253 /nfs/dbraw/zinc/94/92/53/1195949253.db2.gz AJIWKODTLWXINS-INIZCTEOSA-N 1 1 305.422 3.065 20 5 DGBDMO O=[N+]([O-])c1ccc(C[N@@H+]2CCCC[C@@H]2[C@H]2CCCO2)c(F)c1 ZINC001655877245 1195972139 /nfs/dbraw/zinc/97/21/39/1195972139.db2.gz IIHKPMVNYBNCGR-HZPDHXFCSA-N 1 1 308.353 3.267 20 5 DGBDMO O=[N+]([O-])c1ccc(C[N@H+]2CCCC[C@@H]2[C@H]2CCCO2)c(F)c1 ZINC001655877245 1195972142 /nfs/dbraw/zinc/97/21/42/1195972142.db2.gz IIHKPMVNYBNCGR-HZPDHXFCSA-N 1 1 308.353 3.267 20 5 DGBDMO O=[N+]([O-])c1ccc(C[N@@H+]2CC[C@H]3[C@@H](C2)C3(F)F)cc1Cl ZINC001659414648 1196382032 /nfs/dbraw/zinc/38/20/32/1196382032.db2.gz MJAPHUSQPWQHNC-VHSXEESVSA-N 1 1 302.708 3.335 20 5 DGBDMO O=[N+]([O-])c1ccc(C[N@H+]2CC[C@H]3[C@@H](C2)C3(F)F)cc1Cl ZINC001659414648 1196382035 /nfs/dbraw/zinc/38/20/35/1196382035.db2.gz MJAPHUSQPWQHNC-VHSXEESVSA-N 1 1 302.708 3.335 20 5 DGBDMO CC1(C)CC[C@@H](CO)[N@H+](Cc2ccc([N+](=O)[O-])c(Cl)c2)C1 ZINC001659906598 1196427634 /nfs/dbraw/zinc/42/76/34/1196427634.db2.gz HLVWOAWCNGNQTC-LBPRGKRZSA-N 1 1 312.797 3.231 20 5 DGBDMO CC1(C)CC[C@@H](CO)[N@@H+](Cc2ccc([N+](=O)[O-])c(Cl)c2)C1 ZINC001659906598 1196427635 /nfs/dbraw/zinc/42/76/35/1196427635.db2.gz HLVWOAWCNGNQTC-LBPRGKRZSA-N 1 1 312.797 3.231 20 5 DGBDMO COc1cc([N+](=O)[O-])ccc1C[N@H+]1CCC[C@@H]1COC(C)(C)C ZINC001660083587 1196443250 /nfs/dbraw/zinc/44/32/50/1196443250.db2.gz BNPUZABQNLCXEW-OAHLLOKOSA-N 1 1 322.405 3.383 20 5 DGBDMO Cc1nocc1C[NH2+]Cc1ccc(-c2cccc([N+](=O)[O-])c2)o1 ZINC001663011233 1196782831 /nfs/dbraw/zinc/78/28/31/1196782831.db2.gz PCXXKXBPCBLHGO-UHFFFAOYSA-N 1 1 313.313 3.441 20 5 DGBDMO Cc1cc(Cl)nc(NCC[C@@H]2CCC[N@H+](C)C2)c1[N+](=O)[O-] ZINC001156377949 1081653205 /nfs/dbraw/zinc/65/32/05/1081653205.db2.gz HTPVZGVOAYDWSX-NSHDSACASA-N 1 1 312.801 3.095 20 5 DGBDMO Cc1cc(NC(=O)[C@H](C)[N@@H+]2[C@H](C)CC[C@@H]2C)cc([N+](=O)[O-])c1 ZINC001648794281 1081772501 /nfs/dbraw/zinc/77/25/01/1081772501.db2.gz GHLQRSFBUFXBIK-XQQFMLRXSA-N 1 1 305.378 3.103 20 5 DGBDMO COc1ccc(C[C@H](C)[N@H+]2CC[C@@](C)(CF)C2)c([N+](=O)[O-])c1 ZINC001170328718 1082347462 /nfs/dbraw/zinc/34/74/62/1082347462.db2.gz LQVSCQALEOLRFD-LRDDRELGSA-N 1 1 310.369 3.216 20 5 DGBDMO COc1ccc(C[C@@H](C)[N@H+]2CCC[C@@H](CF)C2)c([N+](=O)[O-])c1 ZINC001170345232 1082357211 /nfs/dbraw/zinc/35/72/11/1082357211.db2.gz IJAWLKKEPAWVBQ-OLZOCXBDSA-N 1 1 310.369 3.216 20 5 DGBDMO COc1ccc(C[C@@H](C)[N@H+]2CCc3occc3C2)c([N+](=O)[O-])c1 ZINC001170351806 1082357831 /nfs/dbraw/zinc/35/78/31/1082357831.db2.gz JNILGOCRPOIPIZ-GFCCVEGCSA-N 1 1 316.357 3.186 20 5 DGBDMO Cc1cc(Cl)c([N+](=O)[O-])c(N2CC[N@H+](C)CC23CCCC3)n1 ZINC001158408456 1082689788 /nfs/dbraw/zinc/68/97/88/1082689788.db2.gz JPVNPSIEHSDWKW-UHFFFAOYSA-N 1 1 324.812 3.016 20 5 DGBDMO C[C@H]1CCC[N@H+]1CCNc1ncc([N+](=O)[O-])c2ccccc21 ZINC001185565320 1084472303 /nfs/dbraw/zinc/47/23/03/1084472303.db2.gz NKVCYURQMKFDLJ-LBPRGKRZSA-N 1 1 300.362 3.039 20 5 DGBDMO CN(C[C@@H]1CCC[N@H+]1C)c1ccc([N+](=O)[O-])c(C(F)(F)F)c1 ZINC001186764376 1084699084 /nfs/dbraw/zinc/69/90/84/1084699084.db2.gz PVVIAVODEBDWCH-NSHDSACASA-N 1 1 317.311 3.144 20 5 DGBDMO CN(C[C@H]1CCC[N@H+]1C)c1ccc([N+](=O)[O-])c(C(F)(F)F)c1 ZINC001186764375 1084699312 /nfs/dbraw/zinc/69/93/12/1084699312.db2.gz PVVIAVODEBDWCH-LLVKDONJSA-N 1 1 317.311 3.144 20 5 DGBDMO C[N@@H+]1CCC[C@H](Oc2cc([N+](=O)[O-])c(Cl)cc2Cl)C1 ZINC001226202810 1085995606 /nfs/dbraw/zinc/99/56/06/1085995606.db2.gz CABFVPGDIRQGKN-QMMMGPOBSA-N 1 1 305.161 3.375 20 5 DGBDMO C[N@H+]1CCC[C@H](Oc2cc([N+](=O)[O-])c(Cl)cc2Cl)C1 ZINC001226202810 1085995609 /nfs/dbraw/zinc/99/56/09/1085995609.db2.gz CABFVPGDIRQGKN-QMMMGPOBSA-N 1 1 305.161 3.375 20 5 DGBDMO CC(C)C[N@@H+](CCC(=O)Nc1ccc([N+](=O)[O-])cc1)C(C)C ZINC001307412475 1087337370 /nfs/dbraw/zinc/33/73/70/1087337370.db2.gz GEOMFORKCKBRMC-UHFFFAOYSA-N 1 1 307.394 3.290 20 5 DGBDMO CC(C)(C)C[N@@H+](CCO)Cc1ccc(Cl)c([N+](=O)[O-])c1 ZINC000689903842 1087644437 /nfs/dbraw/zinc/64/44/37/1087644437.db2.gz BDVVGCDDMMLVFM-UHFFFAOYSA-N 1 1 300.786 3.089 20 5 DGBDMO CC[N@H+]1CCN(c2ccc3cccc([N+](=O)[O-])c3n2)C(C)(C)C1 ZINC001158563118 1087914593 /nfs/dbraw/zinc/91/45/93/1087914593.db2.gz YEMGTXDVWADSEO-UHFFFAOYSA-N 1 1 314.389 3.064 20 5 DGBDMO C[N@@H+]1[C@@H]2CCC[C@H]1C[C@H](Nc1cc(Cl)cc([N+](=O)[O-])n1)C2 ZINC001160469282 1088822425 /nfs/dbraw/zinc/82/24/25/1088822425.db2.gz VBRCOLLNNFQQQE-CNDDSTCGSA-N 1 1 310.785 3.070 20 5 DGBDMO C[N@H+]1CCC[C@@H]1CCNc1nccc2cc([N+](=O)[O-])ccc21 ZINC001160968341 1089046746 /nfs/dbraw/zinc/04/67/46/1089046746.db2.gz LQNGSZGTPZXHNC-CYBMUJFWSA-N 1 1 300.362 3.039 20 5 DGBDMO Cc1ccc(CNc2ccc([N+](=O)[O-])c3c2CC[N@@H+](C)C3)o1 ZINC001161768457 1089392129 /nfs/dbraw/zinc/39/21/29/1089392129.db2.gz JOXRENLAVWFROF-UHFFFAOYSA-N 1 1 301.346 3.096 20 5 DGBDMO Cc1ccc(CNc2ccc([N+](=O)[O-])c3c2CC[N@H+](C)C3)o1 ZINC001161768457 1089392147 /nfs/dbraw/zinc/39/21/47/1089392147.db2.gz JOXRENLAVWFROF-UHFFFAOYSA-N 1 1 301.346 3.096 20 5 DGBDMO CCC[N@H+]1CCC[C@H]1CNc1ccc2cnccc2c1[N+](=O)[O-] ZINC001163248943 1090130505 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304.390 3.025 20 5 DGBDMO O=[N+]([O-])C[C@@H]1CC[C@@H]([N@H+]2CCC[C@@H]2Cc2ccc(F)cc2)C1 ZINC001169056910 1092513263 /nfs/dbraw/zinc/51/32/63/1092513263.db2.gz UEICZSJAUCZXBS-DJIMGWMZSA-N 1 1 306.381 3.278 20 5 DGBDMO COc1c(O)ccc(C[N@@H+](C)CCc2cccs2)c1[N+](=O)[O-] ZINC001119938513 1094314844 /nfs/dbraw/zinc/31/48/44/1094314844.db2.gz HMAHBTCQUACBGB-UHFFFAOYSA-N 1 1 322.386 3.045 20 5 DGBDMO Cc1cccc(-c2nnc([C@H]([NH3+])Cc3cccc([N+](=O)[O-])c3)o2)c1 ZINC001217714351 1094481095 /nfs/dbraw/zinc/48/10/95/1094481095.db2.gz GDMGBUUWWXBNRJ-OAHLLOKOSA-N 1 1 324.340 3.196 20 5 DGBDMO Cc1ccc(-c2nnc([C@H]([NH3+])Cc3cccc([N+](=O)[O-])c3)o2)cc1 ZINC001217714774 1094481431 /nfs/dbraw/zinc/48/14/31/1094481431.db2.gz MRCPKOKXCZDBBX-OAHLLOKOSA-N 1 1 324.340 3.196 20 5 DGBDMO CCC[N@@H+]1CCCC[C@@H]1C(=O)OCc1c(F)cccc1[N+](=O)[O-] ZINC001116116091 1095458497 /nfs/dbraw/zinc/45/84/97/1095458497.db2.gz XFJVPOWYYJODBT-OAHLLOKOSA-N 1 1 324.352 3.042 20 5 DGBDMO CCC[N@H+]1CCCC[C@@H]1C(=O)OCc1c(F)cccc1[N+](=O)[O-] ZINC001116116091 1095458502 /nfs/dbraw/zinc/45/85/02/1095458502.db2.gz XFJVPOWYYJODBT-OAHLLOKOSA-N 1 1 324.352 3.042 20 5 DGBDMO CC[N@H+]1CCC[C@@H](CN[C@H](C)c2cccc([N+](=O)[O-])c2C)C1 ZINC001116293144 1095507065 /nfs/dbraw/zinc/50/70/65/1095507065.db2.gz KMRXMAAHABXJKH-CABCVRRESA-N 1 1 305.422 3.286 20 5 DGBDMO O=[N+]([O-])c1ccc([C@H](O)C[N@H+]2CC[C@@H]3CCCC[C@H]3C2)cc1 ZINC001116478407 1095571432 /nfs/dbraw/zinc/57/14/32/1095571432.db2.gz HVOJMUXTYBFIKD-JLJPHGGASA-N 1 1 304.390 3.140 20 5 DGBDMO CCOC(=O)C[C@H]1CCC[N@H+]1C/C=C\c1ccccc1[N+](=O)[O-] ZINC001116695191 1095637446 /nfs/dbraw/zinc/63/74/46/1095637446.db2.gz UIAGPGISTREXJH-GTBONMDNSA-N 1 1 318.373 3.026 20 5 DGBDMO O=[N+]([O-])c1ccc(F)cc1O[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC001225574581 1096470735 /nfs/dbraw/zinc/47/07/35/1096470735.db2.gz FOEQPUFLKBYIKD-HNNXBMFYSA-N 1 1 316.332 3.387 20 5 DGBDMO CC(C)[N@H+]1CCC[C@H](Oc2cc(F)c(F)cc2[N+](=O)[O-])C1 ZINC001225778002 1096527699 /nfs/dbraw/zinc/52/76/99/1096527699.db2.gz FVBWBDGTCJHDPN-JTQLQIEISA-N 1 1 300.305 3.125 20 5 DGBDMO C[N@H+]1CCC[C@@H](Oc2ccc([N+](=O)[O-])cc2C(F)(F)F)CC1 ZINC001226311758 1096659695 /nfs/dbraw/zinc/65/96/95/1096659695.db2.gz VNXNVZMCENACTM-LLVKDONJSA-N 1 1 318.295 3.477 20 5 DGBDMO CC(C)(C)c1ccc(O[C@H]2CCc3[nH+]ccn3C2)c([N+](=O)[O-])c1 ZINC001226445653 1096691414 /nfs/dbraw/zinc/69/14/14/1096691414.db2.gz FIXTZSGOPMLBBW-ZDUSSCGKSA-N 1 1 315.373 3.483 20 5 DGBDMO O=[N+]([O-])c1ccc(O[C@H]2CCC[N@@H+](Cc3ccccc3)C2)cn1 ZINC001226708633 1096756723 /nfs/dbraw/zinc/75/67/23/1096756723.db2.gz BMPKBBQHZPGIDL-INIZCTEOSA-N 1 1 313.357 3.033 20 5 DGBDMO CC(C)[N@H+]1CC[C@H](Oc2cc(Cl)c(F)cc2[N+](=O)[O-])C1 ZINC001226909496 1096813520 /nfs/dbraw/zinc/81/35/20/1096813520.db2.gz VOIFUAZXQITKCW-VIFPVBQESA-N 1 1 302.733 3.249 20 5 DGBDMO CC[N@H+]1CC[C@@H](Oc2cc(Cl)c(Cl)cc2[N+](=O)[O-])C1 ZINC001227131112 1096875661 /nfs/dbraw/zinc/87/56/61/1096875661.db2.gz XVOKSZYUEQHLJY-MRVPVSSYSA-N 1 1 305.161 3.375 20 5 DGBDMO O=[N+]([O-])c1ccc2ccccc2c1O[C@H]1CCc2[nH+]ccn2C1 ZINC001227215143 1096897153 /nfs/dbraw/zinc/89/71/53/1096897153.db2.gz XWZPAIGFLUAMQV-ZDUSSCGKSA-N 1 1 309.325 3.338 20 5 DGBDMO C[C@@H](C[NH+]1CCOCC1)Oc1cccc2ccc3cccnc3c21 ZINC001227763755 1096984390 /nfs/dbraw/zinc/98/43/90/1096984390.db2.gz HTWHPQIVUYAOKQ-HNNXBMFYSA-N 1 1 322.408 3.488 20 5 DGBDMO O=[N+]([O-])c1ccncc1O[C@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC001228879075 1097209927 /nfs/dbraw/zinc/20/99/27/1097209927.db2.gz BNHPAYSQUQFFRW-HNNXBMFYSA-N 1 1 313.357 3.033 20 5 DGBDMO C[C@H]1CC[N@H+]([C@H]2CCc3ccc([N+](=O)[O-])cc3CC2)CCC1=O ZINC001172905047 1097269326 /nfs/dbraw/zinc/26/93/26/1097269326.db2.gz QIOGERXBNWTCRA-BBRMVZONSA-N 1 1 316.401 3.143 20 5 DGBDMO C[N@@H+](CC1CCOCC1)[C@H]1CCc2ccc([N+](=O)[O-])cc2CC1 ZINC001172908762 1097270384 /nfs/dbraw/zinc/27/03/84/1097270384.db2.gz NXRODKIEGTWKLJ-KRWDZBQOSA-N 1 1 318.417 3.201 20 5 DGBDMO CCC(=O)c1cc([N+](=O)[O-])ccc1O[C@@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC001229178275 1097271920 /nfs/dbraw/zinc/27/19/20/1097271920.db2.gz UHNYIOFZFBKKCY-DABQJJPHSA-N 1 1 318.373 3.192 20 5 DGBDMO CCCO[C@H]1CC[N@H+]([C@@H]2CCc3ccc([N+](=O)[O-])cc3CC2)C1 ZINC001172917843 1097280179 /nfs/dbraw/zinc/28/01/79/1097280179.db2.gz XLPIKBQGTPGQJC-AEFFLSMTSA-N 1 1 318.417 3.343 20 5 DGBDMO CC(C)[C@@H]1C[N@H+]([C@@H]2CCc3ccc([N+](=O)[O-])cc3CC2)CCO1 ZINC001172912448 1097291490 /nfs/dbraw/zinc/29/14/90/1097291490.db2.gz AAVYJFHOARMLEL-AEFFLSMTSA-N 1 1 318.417 3.199 20 5 DGBDMO CC[N@H+]1CCC[C@@H](Oc2cc([N+](=O)[O-])cc3cccnc32)C1 ZINC001229344263 1097301371 /nfs/dbraw/zinc/30/13/71/1097301371.db2.gz VBJUGXGQEDEJGF-CQSZACIVSA-N 1 1 301.346 3.006 20 5 DGBDMO C[C@@H](Cc1ccc([N+](=O)[O-])cc1)[N@H+]1CC[C@H](c2ccncc2)C1 ZINC001173227240 1097376330 /nfs/dbraw/zinc/37/63/30/1097376330.db2.gz OUGWOLORIGFELN-YOEHRIQHSA-N 1 1 311.385 3.410 20 5 DGBDMO Cc1nc2c(s1)C[N@@H+]([C@H](C)Cc1ccc([N+](=O)[O-])cc1)CC2 ZINC001173227241 1097376543 /nfs/dbraw/zinc/37/65/43/1097376543.db2.gz OWFUJCOQNFXSNK-LLVKDONJSA-N 1 1 317.414 3.349 20 5 DGBDMO CC[N@@H+](CCN1CCCCC1)[C@@H](C)Cc1ccc([N+](=O)[O-])cc1 ZINC001173231345 1097377084 /nfs/dbraw/zinc/37/70/84/1097377084.db2.gz BQGGQFRNLOPQBD-INIZCTEOSA-N 1 1 319.449 3.334 20 5 DGBDMO CCN(CC[NH+]1CCCCC1)[C@@H](C)Cc1ccc([N+](=O)[O-])cc1 ZINC001173231345 1097377086 /nfs/dbraw/zinc/37/70/86/1097377086.db2.gz BQGGQFRNLOPQBD-INIZCTEOSA-N 1 1 319.449 3.334 20 5 DGBDMO CC[N@H+]1CC[C@@H](Oc2cc([N+](=O)[O-])cc(C(F)(F)F)c2)C1 ZINC001229832021 1097395506 /nfs/dbraw/zinc/39/55/06/1097395506.db2.gz PGCUCEBHIHMJAN-LLVKDONJSA-N 1 1 304.268 3.087 20 5 DGBDMO C[N@@H+]1CCC[C@@H](Oc2ccc([N+](=O)[O-])c(Cl)c2Cl)C1 ZINC001230042537 1097435303 /nfs/dbraw/zinc/43/53/03/1097435303.db2.gz WTLCPHRTMTZDKI-MRVPVSSYSA-N 1 1 305.161 3.375 20 5 DGBDMO C[N@H+]1CCC[C@@H](Oc2ccc([N+](=O)[O-])c(Cl)c2Cl)C1 ZINC001230042537 1097435306 /nfs/dbraw/zinc/43/53/06/1097435306.db2.gz WTLCPHRTMTZDKI-MRVPVSSYSA-N 1 1 305.161 3.375 20 5 DGBDMO Cc1cc([N+](=O)[O-])c(C)cc1O[C@@H]1[C@@H]2CCC[C@H]1C[N@H+](C)C2 ZINC001230727823 1097567514 /nfs/dbraw/zinc/56/75/14/1097567514.db2.gz FQSVLGLKMLVBJT-XOIINTDNSA-N 1 1 304.390 3.321 20 5 DGBDMO CC(C)(C)[NH+]1CC(Oc2cnc3c(cccc3[N+](=O)[O-])c2)C1 ZINC001231158992 1097684787 /nfs/dbraw/zinc/68/47/87/1097684787.db2.gz QTPUUHGJPDVCSI-UHFFFAOYSA-N 1 1 301.346 3.005 20 5 DGBDMO O=[N+]([O-])c1cccc(CN2C[C@@H]3C[C@H]2C[N@H+]3Cc2ccccc2)c1 ZINC001174992714 1097905604 /nfs/dbraw/zinc/90/56/04/1097905604.db2.gz ACHIQRXKNHGEJD-OALUTQOASA-N 1 1 323.396 3.054 20 5 DGBDMO C[N@@H+](Cc1ccc2ccc3cccnc3c2n1)C1CCOCC1 ZINC001232218252 1097969738 /nfs/dbraw/zinc/96/97/38/1097969738.db2.gz DUFHPDIKIUNSBH-UHFFFAOYSA-N 1 1 307.397 3.394 20 5 DGBDMO C[C@@H]1C[N@@H+](C)[C@@H](C)CN1Cc1ccc2ccc3cccnc3c2n1 ZINC001232219427 1097971216 /nfs/dbraw/zinc/97/12/16/1097971216.db2.gz CLHQBNAPAGSGHY-LSDHHAIUSA-N 1 1 320.440 3.307 20 5 DGBDMO C[C@@H]1CN(C)[C@@H](C)C[N@@H+]1Cc1ccc2ccc3cccnc3c2n1 ZINC001232219427 1097971217 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CC(C)[N@H+]1CC[C@@H](Oc2c3cccnc3ccc2[N+](=O)[O-])C1 ZINC001233777490 1098429237 /nfs/dbraw/zinc/42/92/37/1098429237.db2.gz CMNOGBMBGLOMMY-GFCCVEGCSA-N 1 1 301.346 3.005 20 5 DGBDMO CC[N@H+]1CCC[C@H](Oc2c3cccnc3ccc2[N+](=O)[O-])C1 ZINC001233787665 1098431719 /nfs/dbraw/zinc/43/17/19/1098431719.db2.gz YYHXQYIQLRLYOX-LBPRGKRZSA-N 1 1 301.346 3.006 20 5 DGBDMO C[N@@H+]1[C@@H]2CC[C@H]1C[C@@H](Oc1ccc3cccc([N+](=O)[O-])c3n1)C2 ZINC001233837560 1098440141 /nfs/dbraw/zinc/44/01/41/1098440141.db2.gz ZQTRDFBWPFWRMV-WDNDVIMCSA-N 1 1 313.357 3.147 20 5 DGBDMO C[N@H+]1CCC[C@H](Oc2ccc3cccc([N+](=O)[O-])c3n2)CC1 ZINC001233835881 1098440224 /nfs/dbraw/zinc/44/02/24/1098440224.db2.gz FRCNCQZSWFDGIG-ZDUSSCGKSA-N 1 1 301.346 3.006 20 5 DGBDMO COc1ccc(C[N@H+]2CCCC[C@H]2[C@@H]2CCCO2)cc1[N+](=O)[O-] ZINC001176926513 1098451454 /nfs/dbraw/zinc/45/14/54/1098451454.db2.gz KBVWOWYDVPUMHL-YOEHRIQHSA-N 1 1 320.389 3.137 20 5 DGBDMO CC[N@H+]1CCC[C@@H](Oc2nccc3c2cccc3[N+](=O)[O-])C1 ZINC001234675969 1098643196 /nfs/dbraw/zinc/64/31/96/1098643196.db2.gz GWQDCMWTZCAUOY-GFCCVEGCSA-N 1 1 301.346 3.006 20 5 DGBDMO C[N@H+]1CCCC[C@H]1C(=O)Nc1cc2cccnc2c2ncccc12 ZINC001178696985 1098913902 /nfs/dbraw/zinc/91/39/02/1098913902.db2.gz RCJNYZYCKFCQQP-INIZCTEOSA-N 1 1 320.396 3.206 20 5 DGBDMO CC[N@@H+](CCC(=O)Nc1ccc([N+](=O)[O-])cc1)[C@H](C)C(C)C ZINC001190604521 1100305214 /nfs/dbraw/zinc/30/52/14/1100305214.db2.gz FTTRMCALNKIQKP-CYBMUJFWSA-N 1 1 307.394 3.290 20 5 DGBDMO C[N@@H+](CCc1cccc([N+](=O)[O-])c1)C[C@H]1CCCC(C)(C)O1 ZINC001193742373 1100796677 /nfs/dbraw/zinc/79/66/77/1100796677.db2.gz AZJSEFOWMOGOGC-MRXNPFEDSA-N 1 1 306.406 3.417 20 5 DGBDMO Cc1c(C[N@H+](C)C[C@@H](C)C(=O)OC(C)(C)C)cccc1[N+](=O)[O-] ZINC001194962941 1101046069 /nfs/dbraw/zinc/04/60/69/1101046069.db2.gz HIJXKBVTYFBXSE-GFCCVEGCSA-N 1 1 322.405 3.313 20 5 DGBDMO C[C@H]1COC2(CCCC2)C[N@H+]1CCOc1cccc([N+](=O)[O-])c1 ZINC001196403700 1101298602 /nfs/dbraw/zinc/29/86/02/1101298602.db2.gz ZPZMIPAYCGHUOU-AWEZNQCLSA-N 1 1 320.389 3.007 20 5 DGBDMO O=[N+]([O-])c1cccc(OCC[NH2+][C@H](CF)c2ccc(F)cc2)c1 ZINC001197135073 1101474862 /nfs/dbraw/zinc/47/48/62/1101474862.db2.gz GMINLIADENHSDS-MRXNPFEDSA-N 1 1 322.311 3.413 20 5 DGBDMO COc1ccc([N+](=O)[O-])cc1C[NH2+]Cc1cccn1C1CC1 ZINC001326431058 1103311964 /nfs/dbraw/zinc/31/19/64/1103311964.db2.gz SGAVGANGORTSTP-UHFFFAOYSA-N 1 1 301.346 3.030 20 5 DGBDMO O=[N+]([O-])c1ccc2c(c1)C[N@@H+](C[C@@H]1CCN(c3ccccc3)C1)C2 ZINC001330613691 1104592793 /nfs/dbraw/zinc/59/27/93/1104592793.db2.gz FBBMSCYJPDDZQU-HNNXBMFYSA-N 1 1 323.396 3.437 20 5 DGBDMO O=[N+]([O-])c1ccc2c(c1)C[N@H+](C[C@@H]1CCN(c3ccccc3)C1)C2 ZINC001330613691 1104592799 /nfs/dbraw/zinc/59/27/99/1104592799.db2.gz FBBMSCYJPDDZQU-HNNXBMFYSA-N 1 1 323.396 3.437 20 5 DGBDMO CC[N@@H+](CC(=O)Nc1ccc(Cl)cc1[N+](=O)[O-])C(C)(C)C ZINC001326518459 1105003490 /nfs/dbraw/zinc/00/34/90/1105003490.db2.gz UTSYFXQMXQZGOE-UHFFFAOYSA-N 1 1 313.785 3.307 20 5 DGBDMO CC(C)CCC[C@H]([NH3+])c1nc(-c2ncc(F)cc2[N+](=O)[O-])no1 ZINC001248890121 1105188391 /nfs/dbraw/zinc/18/83/91/1105188391.db2.gz JJGQKDIKZUXMTE-JTQLQIEISA-N 1 1 323.328 3.005 20 5 DGBDMO C[NH+](C)Cc1ccc2nc(-c3cccc(F)c3[N+](=O)[O-])[nH]c2c1 ZINC001251783678 1105695661 /nfs/dbraw/zinc/69/56/61/1105695661.db2.gz QIWGQMFZXRVWRP-UHFFFAOYSA-N 1 1 314.320 3.339 20 5 DGBDMO C[C@@H](Cc1ccccc1[N+](=O)[O-])[N@@H+](C)Cc1cnc2ccccn12 ZINC001254553308 1106102730 /nfs/dbraw/zinc/10/27/30/1106102730.db2.gz USSLMJMEPGOMSG-AWEZNQCLSA-N 1 1 324.384 3.306 20 5 DGBDMO CCN(CC)CC[N@H+](CC)[C@@H](C)Cc1ccccc1[N+](=O)[O-] ZINC001254563626 1106104111 /nfs/dbraw/zinc/10/41/11/1106104111.db2.gz ZRJLBUNBKWTADD-HNNXBMFYSA-N 1 1 307.438 3.190 20 5 DGBDMO CCN(CC)CC[N@@H+](CC)[C@@H](C)Cc1ccccc1[N+](=O)[O-] ZINC001254563626 1106104115 /nfs/dbraw/zinc/10/41/15/1106104115.db2.gz ZRJLBUNBKWTADD-HNNXBMFYSA-N 1 1 307.438 3.190 20 5 DGBDMO C[C@@H](Cc1ccccc1[N+](=O)[O-])[N@@H+]1CCC[C@@H]1c1ncccn1 ZINC001254568544 1106105932 /nfs/dbraw/zinc/10/59/32/1106105932.db2.gz GZQZILYDKOZRNE-XJKSGUPXSA-N 1 1 312.373 3.153 20 5 DGBDMO C[C@@H](Cc1ccccc1[N+](=O)[O-])[N@H+]1CCC[C@@H]1c1ncccn1 ZINC001254568544 1106105936 /nfs/dbraw/zinc/10/59/36/1106105936.db2.gz GZQZILYDKOZRNE-XJKSGUPXSA-N 1 1 312.373 3.153 20 5 DGBDMO CC(C)[N@@H+]([C@@H](C)Cc1ccccc1[N+](=O)[O-])C1CCN(C)CC1 ZINC001254571643 1106105959 /nfs/dbraw/zinc/10/59/59/1106105959.db2.gz ZPIQHVFNRUQZKP-HNNXBMFYSA-N 1 1 319.449 3.330 20 5 DGBDMO CCC[N@H+](CCCN(C)C)[C@H](C)Cc1ccccc1[N+](=O)[O-] ZINC001254567985 1106106033 /nfs/dbraw/zinc/10/60/33/1106106033.db2.gz DTCJZZSADUGAQR-OAHLLOKOSA-N 1 1 307.438 3.190 20 5 DGBDMO CCC[N@@H+](CCCN(C)C)[C@H](C)Cc1ccccc1[N+](=O)[O-] ZINC001254567985 1106106036 /nfs/dbraw/zinc/10/60/36/1106106036.db2.gz DTCJZZSADUGAQR-OAHLLOKOSA-N 1 1 307.438 3.190 20 5 DGBDMO O=[N+]([O-])c1ccc2c(c1)C[C@H]([N@@H+]1C[C@H]3CC[C@@H](C1)C3(F)F)C2 ZINC001254592453 1106110056 /nfs/dbraw/zinc/11/00/56/1106110056.db2.gz DIQQOZZTYFLPIC-VNHYZAJKSA-N 1 1 308.328 3.039 20 5 DGBDMO O=[N+]([O-])c1ccc2c(c1)C[C@@H]([N@H+]1CCC[C@H]1Cc1ccccn1)C2 ZINC001254597966 1106110950 /nfs/dbraw/zinc/11/09/50/1106110950.db2.gz FMJQAHUIANFBOL-HKUYNNGSSA-N 1 1 323.396 3.164 20 5 DGBDMO C[N@@H+](CC/C=C/c1cccnc1)[C@@H]1Cc2ccc([N+](=O)[O-])cc2C1 ZINC001254605922 1106112557 /nfs/dbraw/zinc/11/25/57/1106112557.db2.gz CQYYVWMGVRLULC-KPUAHBEZSA-N 1 1 323.396 3.492 20 5 DGBDMO CCCC[N@@H+](C)CC1CCN(c2c(C)cncc2[N+](=O)[O-])CC1 ZINC001320589303 1107063876 /nfs/dbraw/zinc/06/38/76/1107063876.db2.gz KFGYVPHBGNOHID-UHFFFAOYSA-N 1 1 320.437 3.247 20 5 DGBDMO Cc1nn(C[N@H+](CCc2ccccc2)C(C)C)cc1[N+](=O)[O-] ZINC001320769446 1107131902 /nfs/dbraw/zinc/13/19/02/1107131902.db2.gz BQCNWJSROLYVLS-UHFFFAOYSA-N 1 1 302.378 3.010 20 5 DGBDMO CC[N@@H+]1CCC[C@H](CN[C@H]2CCCc3ccc([N+](=O)[O-])cc32)C1 ZINC001320881461 1107174944 /nfs/dbraw/zinc/17/49/44/1107174944.db2.gz WJXJSWDHYMZTAP-KDOFPFPSSA-N 1 1 317.433 3.294 20 5 DGBDMO CC[N@H+]1CCC[C@H](CN[C@H]2CCCc3ccc([N+](=O)[O-])cc32)C1 ZINC001320881461 1107174950 /nfs/dbraw/zinc/17/49/50/1107174950.db2.gz WJXJSWDHYMZTAP-KDOFPFPSSA-N 1 1 317.433 3.294 20 5 DGBDMO O=[N+]([O-])c1cnc(N[C@H]2CC[N@@H+](CC3CC3)C2)c2ccccc21 ZINC001262060076 1107599533 /nfs/dbraw/zinc/59/95/33/1107599533.db2.gz POIUJVXIUZGZEL-ZDUSSCGKSA-N 1 1 312.373 3.039 20 5 DGBDMO Cc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@H+]1CC(C)(C)C1(C)C ZINC001324244578 1108221135 /nfs/dbraw/zinc/22/11/35/1108221135.db2.gz IXXICYKVVNZPNH-UHFFFAOYSA-N 1 1 319.405 3.352 20 5 DGBDMO O=[N+]([O-])c1ccc2c(cnn2C[N@H+]2CC[C@@H]3CCCC[C@H]3C2)c1 ZINC001324990900 1108552593 /nfs/dbraw/zinc/55/25/93/1108552593.db2.gz UOCHCYBKHQWYFL-KBPBESRZSA-N 1 1 314.389 3.414 20 5 DGBDMO CC[C@@H]1CC[N@@H+]([C@H](C)C(=O)Nc2ccccc2[N+](=O)[O-])[C@@H]1C ZINC001307703582 1111330087 /nfs/dbraw/zinc/33/00/87/1111330087.db2.gz VUTNWVXNXLGLBQ-JHJVBQTASA-N 1 1 305.378 3.042 20 5 DGBDMO CC[N@H+](CCc1ccc([N+](=O)[O-])cc1)[C@H](C)C(=O)OC(C)(C)C ZINC001307926203 1111357163 /nfs/dbraw/zinc/35/71/63/1111357163.db2.gz PROGEXFXUVTKRR-CYBMUJFWSA-N 1 1 322.405 3.189 20 5 DGBDMO CC[N@@H+](CCc1ccc([N+](=O)[O-])cc1)[C@H](C)C(=O)OC(C)(C)C ZINC001307926203 1111357166 /nfs/dbraw/zinc/35/71/66/1111357166.db2.gz PROGEXFXUVTKRR-CYBMUJFWSA-N 1 1 322.405 3.189 20 5 DGBDMO CO[C@@H]1CC[C@@H](C)[N@H+](Cc2cc([N+](=O)[O-])ccc2OC(C)C)C1 ZINC001307996026 1111364002 /nfs/dbraw/zinc/36/40/02/1111364002.db2.gz JHSBPQVDPDFGCE-CZUORRHYSA-N 1 1 322.405 3.381 20 5 DGBDMO CO[C@@H]1CC[C@@H](C)[N@@H+](Cc2cc([N+](=O)[O-])ccc2OC(C)C)C1 ZINC001307996026 1111364007 /nfs/dbraw/zinc/36/40/07/1111364007.db2.gz JHSBPQVDPDFGCE-CZUORRHYSA-N 1 1 322.405 3.381 20 5 DGBDMO CCn1cnc(Cl)c1C[NH2+][C@H](C)c1cccc([N+](=O)[O-])c1 ZINC001308207542 1111398571 /nfs/dbraw/zinc/39/85/71/1111398571.db2.gz CZWCEWWZQPPJDU-SNVBAGLBSA-N 1 1 308.769 3.315 20 5 DGBDMO CC[N@@H+](C)[C@H]1CCN(C/C(C)=C/c2cccc([N+](=O)[O-])c2)C1 ZINC001308986852 1111506138 /nfs/dbraw/zinc/50/61/38/1111506138.db2.gz IHHPXRUBUYHZBB-SHRNQRGKSA-N 1 1 303.406 3.024 20 5 DGBDMO C[C@H](Nc1ncccc1[N+](=O)[O-])[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC000272850709 210246441 /nfs/dbraw/zinc/24/64/41/210246441.db2.gz HHJPDOPRWCAIFU-QWHCGFSZSA-N 1 1 304.394 3.055 20 5 DGBDMO O=[N+]([O-])c1ccc(C[N@@H+]2CCC[C@@H]2[C@@H]2CCC[C@H]2O)c(Cl)c1 ZINC000318419703 231169141 /nfs/dbraw/zinc/16/91/41/231169141.db2.gz KFYWERMFJZIUDY-NUEKZKHPSA-N 1 1 324.808 3.374 20 5 DGBDMO O=[N+]([O-])c1cc(Cl)ccc1C[N@@H+]1CCC[C@@H]1[C@H]1CCC[C@H]1O ZINC000318512324 231171845 /nfs/dbraw/zinc/17/18/45/231171845.db2.gz YHJZKVSZDFBIDP-IIAWOOMASA-N 1 1 324.808 3.374 20 5 DGBDMO CC[C@@]1(C)CCC[N@H+](CC(=O)Nc2c(C)cccc2[N+](=O)[O-])C1 ZINC000330933016 529523982 /nfs/dbraw/zinc/52/39/82/529523982.db2.gz ZJUOAAQYWOCBDX-KRWDZBQOSA-N 1 1 319.405 3.354 20 5 DGBDMO CC[C@@]1(C)CCC[N@@H+](CC(=O)Nc2c(C)cccc2[N+](=O)[O-])C1 ZINC000330933016 529523983 /nfs/dbraw/zinc/52/39/83/529523983.db2.gz ZJUOAAQYWOCBDX-KRWDZBQOSA-N 1 1 319.405 3.354 20 5 DGBDMO CC[C@@]1(CO)CCC[N@@H+](C/C=C\c2ccccc2[N+](=O)[O-])C1 ZINC000428475850 529551097 /nfs/dbraw/zinc/55/10/97/529551097.db2.gz WUNCEYOPVKRTQJ-CTEOGUNLSA-N 1 1 304.390 3.093 20 5 DGBDMO CCc1cnccc1[C@@H](C)[NH2+]Cc1ccc([N+](=O)[O-])cc1OC ZINC000430209923 529678229 /nfs/dbraw/zinc/67/82/29/529678229.db2.gz ZQAKWCGQZRJJTN-GFCCVEGCSA-N 1 1 315.373 3.412 20 5 DGBDMO Cc1cc(C[C@H](C)[NH2+][C@H](C)c2ccc(C)c([N+](=O)[O-])c2)n[nH]1 ZINC000090528879 185300647 /nfs/dbraw/zinc/30/06/47/185300647.db2.gz GXUGIYIDQANVAK-WCQYABFASA-N 1 1 302.378 3.217 20 5 DGBDMO Cc1cc(C[C@H](C)[NH2+][C@H](C)c2cccc([N+](=O)[O-])c2C)n[nH]1 ZINC000090529656 185300701 /nfs/dbraw/zinc/30/07/01/185300701.db2.gz PNSAYXWCRWNKRU-GXFFZTMASA-N 1 1 302.378 3.217 20 5 DGBDMO CCC[N@H+](CC(=O)N(C)C)Cc1ccc(C(C)C)c([N+](=O)[O-])c1 ZINC000092382319 185315334 /nfs/dbraw/zinc/31/53/34/185315334.db2.gz WWDZMDXMUCUXCC-UHFFFAOYSA-N 1 1 321.421 3.018 20 5 DGBDMO CCC[N@@H+](CC(=O)N(C)C)Cc1ccc(C(C)C)c([N+](=O)[O-])c1 ZINC000092382319 185315335 /nfs/dbraw/zinc/31/53/35/185315335.db2.gz WWDZMDXMUCUXCC-UHFFFAOYSA-N 1 1 321.421 3.018 20 5 DGBDMO CC[C@@H]([NH2+][C@H](C)Cc1cc(C)[nH]n1)c1cccc([N+](=O)[O-])c1 ZINC000181427886 199295875 /nfs/dbraw/zinc/29/58/75/199295875.db2.gz LSGGKXQQZHEXIV-BDJLRTHQSA-N 1 1 302.378 3.298 20 5 DGBDMO C[N@@H+](Cc1nc2cc([N+](=O)[O-])ccc2[nH]1)C1Cc2ccccc2C1 ZINC000444589509 530022826 /nfs/dbraw/zinc/02/28/26/530022826.db2.gz BIXNOZOHZUBIJO-UHFFFAOYSA-N 1 1 322.368 3.070 20 5 DGBDMO CC[C@@H]1CCCCC[N@H+]1CC(=O)N(C)c1ccc([N+](=O)[O-])cc1 ZINC000150737618 186061201 /nfs/dbraw/zinc/06/12/01/186061201.db2.gz WTRAYNQQKFQAOQ-CQSZACIVSA-N 1 1 319.405 3.212 20 5 DGBDMO Cc1c(C[N@H+]2CCCC3(CCOCC3)C2)cccc1[N+](=O)[O-] ZINC000265978047 186346106 /nfs/dbraw/zinc/34/61/06/186346106.db2.gz ALWQGRGZOVSVSP-UHFFFAOYSA-N 1 1 304.390 3.296 20 5 DGBDMO Cc1n[nH]c(C)c1[C@@H]1CCC[N@H+]1Cc1ccc([N+](=O)[O-])cc1 ZINC000130611281 432027408 /nfs/dbraw/zinc/02/74/08/432027408.db2.gz JNUTTWYHKIMWER-HNNXBMFYSA-N 1 1 300.362 3.272 20 5 DGBDMO Cn1cc2c(n1)CCC[C@@H]2[NH2+]Cc1ccc([N+](=O)[O-])cc1Cl ZINC000280123979 215393403 /nfs/dbraw/zinc/39/34/03/215393403.db2.gz OLYIGWMTHLYMAM-AWEZNQCLSA-N 1 1 320.780 3.149 20 5 DGBDMO O=[N+]([O-])c1ccc(C[N@@H+](C[C@@H]2CCOC2)C2CC2)c(Cl)c1 ZINC000182057751 199380576 /nfs/dbraw/zinc/38/05/76/199380576.db2.gz BGKNALAAZWHZPR-NSHDSACASA-N 1 1 310.781 3.249 20 5 DGBDMO CCOC[C@@H]1CCC[N@@H+](Cc2cc(Cl)ccc2[N+](=O)[O-])C1 ZINC000174862553 198394221 /nfs/dbraw/zinc/39/42/21/198394221.db2.gz NAUQOEBXMXEIBC-GFCCVEGCSA-N 1 1 312.797 3.497 20 5 DGBDMO COC[C@@H](C)[N@@H+](C)Cc1ccc(-c2ccccc2[N+](=O)[O-])o1 ZINC000179369286 432055456 /nfs/dbraw/zinc/05/54/56/432055456.db2.gz NUQOQVDHWDDICY-GFCCVEGCSA-N 1 1 304.346 3.322 20 5 DGBDMO CCOc1cc(C[N@H+](CC)Cc2ccncc2)ccc1[N+](=O)[O-] ZINC000276836360 213124391 /nfs/dbraw/zinc/12/43/91/213124391.db2.gz BOHCHWOJZKRRMC-UHFFFAOYSA-N 1 1 315.373 3.411 20 5 DGBDMO CCOc1cc(C[N@@H+](CC)Cc2ccncc2)ccc1[N+](=O)[O-] ZINC000276836360 213124394 /nfs/dbraw/zinc/12/43/94/213124394.db2.gz BOHCHWOJZKRRMC-UHFFFAOYSA-N 1 1 315.373 3.411 20 5 DGBDMO O=[N+]([O-])c1ccc(C[N@H+](Cc2cnn3ccccc23)C2CC2)cc1 ZINC000179317798 199014996 /nfs/dbraw/zinc/01/49/96/199014996.db2.gz GFEDSTPJOQKPSP-UHFFFAOYSA-N 1 1 322.368 3.407 20 5 DGBDMO O=[N+]([O-])c1ccc(C[N@@H+](Cc2cnn3ccccc23)C2CC2)cc1 ZINC000179317798 199014998 /nfs/dbraw/zinc/01/49/98/199014998.db2.gz GFEDSTPJOQKPSP-UHFFFAOYSA-N 1 1 322.368 3.407 20 5 DGBDMO CS[C@H]1CCCC[N@@H+](CCOc2ccccc2[N+](=O)[O-])C1 ZINC000134588118 432080965 /nfs/dbraw/zinc/08/09/65/432080965.db2.gz NWBYEDJNYZLYMZ-ZDUSSCGKSA-N 1 1 310.419 3.191 20 5 DGBDMO Cc1c(NC(=O)[C@H](C)[N@@H+]2CCCC3(CC3)C2)cccc1[N+](=O)[O-] ZINC000187010422 200047412 /nfs/dbraw/zinc/04/74/12/200047412.db2.gz LCMXVAIUMWYJDW-ZDUSSCGKSA-N 1 1 317.389 3.106 20 5 DGBDMO Cc1c(NC(=O)[C@H](C)[N@H+]2CCCC3(CC3)C2)cccc1[N+](=O)[O-] ZINC000187010422 200047414 /nfs/dbraw/zinc/04/74/14/200047414.db2.gz LCMXVAIUMWYJDW-ZDUSSCGKSA-N 1 1 317.389 3.106 20 5 DGBDMO O=[N+]([O-])c1ccc(-c2nnc(C[N@H+]3CC[C@@H]4CCC[C@H]43)o2)cc1 ZINC000426468143 237973227 /nfs/dbraw/zinc/97/32/27/237973227.db2.gz FBGDYVIXTZCLQE-SMDDNHRTSA-N 1 1 314.345 3.019 20 5 DGBDMO COc1cc([N+](=O)[O-])ccc1C[N@H+]1CCC[C@H](CSC)C1 ZINC000429291652 238046814 /nfs/dbraw/zinc/04/68/14/238046814.db2.gz HFBUYXVFNKQTBV-LBPRGKRZSA-N 1 1 310.419 3.178 20 5 DGBDMO C[C@@H]1CC[C@@H]([N@@H+](C)Cc2nc(-c3cccc([N+](=O)[O-])c3)no2)C1 ZINC000429568702 238055338 /nfs/dbraw/zinc/05/53/38/238055338.db2.gz OWKPTSUTFMEHRX-DGCLKSJQSA-N 1 1 316.361 3.265 20 5 DGBDMO COc1cc([N+](=O)[O-])ccc1C[N@H+]1CCSC(C)(C)CC1 ZINC000430227883 238071654 /nfs/dbraw/zinc/07/16/54/238071654.db2.gz CMOXKLRRUBHHHL-UHFFFAOYSA-N 1 1 310.419 3.321 20 5 DGBDMO COCC[N@@H+](Cc1ccc([N+](=O)[O-])cc1OC)[C@@H]1CC[C@@H](C)C1 ZINC000430244334 238072353 /nfs/dbraw/zinc/07/23/53/238072353.db2.gz PBKKYTHMEFOIKK-UKRRQHHQSA-N 1 1 322.405 3.240 20 5 DGBDMO COCC[N@@H+](Cc1ccc([N+](=O)[O-])cc1OC)[C@H]1CC[C@H](C)C1 ZINC000430244335 238072672 /nfs/dbraw/zinc/07/26/72/238072672.db2.gz PBKKYTHMEFOIKK-ZFWWWQNUSA-N 1 1 322.405 3.240 20 5 DGBDMO Cc1cccc(NCCNc2c(Cl)cccc2[N+](=O)[O-])[nH+]1 ZINC000432330405 238125345 /nfs/dbraw/zinc/12/53/45/238125345.db2.gz APZDKPHNIMQKNZ-UHFFFAOYSA-N 1 1 306.753 3.476 20 5 DGBDMO O=[N+]([O-])c1cc(Cl)cnc1NC[C@H]1CCCC[N@H+]1C1CC1 ZINC000433788514 238167740 /nfs/dbraw/zinc/16/77/40/238167740.db2.gz GXLDADPTPKXYOV-GFCCVEGCSA-N 1 1 310.785 3.072 20 5 DGBDMO O=[N+]([O-])c1cc(C[N@@H+]2CC[C@H](O)C23CCCC3)ccc1Cl ZINC000292559839 223146733 /nfs/dbraw/zinc/14/67/33/223146733.db2.gz AYZHLLBLDMGHGS-AWEZNQCLSA-N 1 1 310.781 3.128 20 5 DGBDMO Cc1c(C[N@@H+]2CCC[C@](CO)(C(C)C)C2)cccc1[N+](=O)[O-] ZINC000292897861 223298465 /nfs/dbraw/zinc/29/84/65/223298465.db2.gz AGWTUQDVGRWZSG-KRWDZBQOSA-N 1 1 306.406 3.134 20 5 DGBDMO O=[N+]([O-])c1ccc2[nH]c(C[NH2+]C3(c4ccccc4)CC3)nc2c1 ZINC000444669256 239317580 /nfs/dbraw/zinc/31/75/80/239317580.db2.gz DSNQOMYDZGVGNQ-UHFFFAOYSA-N 1 1 308.341 3.250 20 5 DGBDMO CCC[N@H+](CC)C[C@H](C)N[C@H](C)Cc1ccccc1[N+](=O)[O-] ZINC000449337286 240140584 /nfs/dbraw/zinc/14/05/84/240140584.db2.gz PIGHKEJIWOWOEL-CABCVRRESA-N 1 1 307.438 3.236 20 5 DGBDMO CCC[N@@H+](CC)C[C@H](C)N[C@H](C)Cc1ccccc1[N+](=O)[O-] ZINC000449337286 240140590 /nfs/dbraw/zinc/14/05/90/240140590.db2.gz PIGHKEJIWOWOEL-CABCVRRESA-N 1 1 307.438 3.236 20 5 DGBDMO O=[N+]([O-])c1ccccc1/C=C\C[N@@H+]1CCC[C@@H]1[C@@H]1CCC[C@@H]1O ZINC000449474008 240229000 /nfs/dbraw/zinc/22/90/00/240229000.db2.gz RHDOMGQRRTZGBH-KVKHNDOQSA-N 1 1 316.401 3.233 20 5 DGBDMO O=[N+]([O-])c1ccccc1/C=C/C[N@H+]1CCSC[C@@H]1C1CC1 ZINC000449528046 240268272 /nfs/dbraw/zinc/26/82/72/240268272.db2.gz MUZOPDROPLSWGG-LLCTXKFZSA-N 1 1 304.415 3.435 20 5 DGBDMO CC(C)c1ccc(CNC2C[C@H]3CC[C@@H](C2)[N@@H+]3C)cc1[N+](=O)[O-] ZINC000449556704 240287212 /nfs/dbraw/zinc/28/72/12/240287212.db2.gz NPLJATGZOXSRCZ-MQVJKMGUSA-N 1 1 317.433 3.433 20 5 DGBDMO O=[N+]([O-])c1cccc(Cl)c1C[N@H+]1CC[C@@H]2C[C@H](O)CC[C@@H]2C1 ZINC000451696115 241208199 /nfs/dbraw/zinc/20/81/99/241208199.db2.gz FTFINYPTJRZMDV-JHJVBQTASA-N 1 1 324.808 3.231 20 5 DGBDMO C[C@H](c1ccccc1[N+](=O)[O-])[N@H+]1CC[C@@H]2C[C@H](O)CC[C@H]2C1 ZINC000451696299 241208222 /nfs/dbraw/zinc/20/82/22/241208222.db2.gz PHHOTXOSFRRAPA-APIJFGDWSA-N 1 1 304.390 3.139 20 5 DGBDMO C[C@H](c1ccccc1[N+](=O)[O-])[N@H+]1CC[C@@H]2C[C@@H](O)CC[C@@H]2C1 ZINC000451696306 241208277 /nfs/dbraw/zinc/20/82/77/241208277.db2.gz PHHOTXOSFRRAPA-TUVASFSCSA-N 1 1 304.390 3.139 20 5 DGBDMO C[C@H](c1ccccc1[N+](=O)[O-])[N@H+]1CC[C@@H]2C[C@@H](O)CC[C@H]2C1 ZINC000451696304 241208982 /nfs/dbraw/zinc/20/89/82/241208982.db2.gz PHHOTXOSFRRAPA-KBXIAJHMSA-N 1 1 304.390 3.139 20 5 DGBDMO O=[N+]([O-])c1cccc(Cl)c1C[N@H+]1CC[C@@H]2C[C@@H](O)CC[C@@H]2C1 ZINC000451696117 241209480 /nfs/dbraw/zinc/20/94/80/241209480.db2.gz FTFINYPTJRZMDV-UPJWGTAASA-N 1 1 324.808 3.231 20 5 DGBDMO O=[N+]([O-])c1cc(Cl)ccc1C[N@H+]1CC[C@@H]2C[C@H](O)CC[C@@H]2C1 ZINC000451706210 241214060 /nfs/dbraw/zinc/21/40/60/241214060.db2.gz LTWYLHWPNWBKCR-LALPHHSUSA-N 1 1 324.808 3.231 20 5 DGBDMO Cc1cc(F)ccc1[C@@H]1CCC[N@H+]1CCn1ccc([N+](=O)[O-])n1 ZINC000451967726 241287231 /nfs/dbraw/zinc/28/72/31/241287231.db2.gz HLNSKTXYSBFCRA-HNNXBMFYSA-N 1 1 318.352 3.076 20 5 DGBDMO C/C(=C/c1cccc([N+](=O)[O-])c1)CNCC[N@H+]1CCC[C@H](C)C1 ZINC000468636379 244057279 /nfs/dbraw/zinc/05/72/79/244057279.db2.gz AGBKSCZSGKCWQN-CNYBTUBUSA-N 1 1 317.433 3.320 20 5 DGBDMO C/C(=C/c1cccc([N+](=O)[O-])c1)CNCC[N@@H+]1CCC[C@H](C)C1 ZINC000468636379 244057281 /nfs/dbraw/zinc/05/72/81/244057281.db2.gz AGBKSCZSGKCWQN-CNYBTUBUSA-N 1 1 317.433 3.320 20 5 DGBDMO CCC[NH+]1CCC(NC/C(C)=C/c2cccc([N+](=O)[O-])c2)CC1 ZINC000468620324 244057555 /nfs/dbraw/zinc/05/75/55/244057555.db2.gz JLVVNXKEZZRBNE-NTCAYCPXSA-N 1 1 317.433 3.462 20 5 DGBDMO CCCN1CCC([NH2+]C/C(C)=C/c2cccc([N+](=O)[O-])c2)CC1 ZINC000468620324 244057559 /nfs/dbraw/zinc/05/75/59/244057559.db2.gz JLVVNXKEZZRBNE-NTCAYCPXSA-N 1 1 317.433 3.462 20 5 DGBDMO CCN1CCC([NH2+]C/C(C)=C/c2cccc([N+](=O)[O-])c2)CC1 ZINC000468653919 244058453 /nfs/dbraw/zinc/05/84/53/244058453.db2.gz RQPGELJGFUZYFC-SDNWHVSQSA-N 1 1 303.406 3.072 20 5 DGBDMO C/C(=C/c1cccc([N+](=O)[O-])c1)CNCCC[N@@H+](C)C(C)C ZINC000468649206 244059478 /nfs/dbraw/zinc/05/94/78/244059478.db2.gz PEVOGASTXUYBFA-PTNGSMBKSA-N 1 1 305.422 3.318 20 5 DGBDMO C/C(=C/c1cccc([N+](=O)[O-])c1)CNCCC[N@H+](C)C(C)C ZINC000468649206 244059483 /nfs/dbraw/zinc/05/94/83/244059483.db2.gz PEVOGASTXUYBFA-PTNGSMBKSA-N 1 1 305.422 3.318 20 5 DGBDMO CCOC(=O)C[C@@H](C)[N@@H+](C)C/C(C)=C/c1cccc([N+](=O)[O-])c1 ZINC000470206581 244160212 /nfs/dbraw/zinc/16/02/12/244160212.db2.gz RZPFNOPOHJTVTQ-KADHNRKRSA-N 1 1 320.389 3.272 20 5 DGBDMO CCOC(=O)C[C@H](C)[N@@H+](C)C/C(C)=C\c1cccc([N+](=O)[O-])c1 ZINC000470206584 244160226 /nfs/dbraw/zinc/16/02/26/244160226.db2.gz RZPFNOPOHJTVTQ-XXYUJHKVSA-N 1 1 320.389 3.272 20 5 DGBDMO C[N@@H+](Cc1c(Cl)cccc1[N+](=O)[O-])C[C@H]1CCCC[C@@H]1O ZINC000119818346 284152828 /nfs/dbraw/zinc/15/28/28/284152828.db2.gz NWOYZARXODGZHT-ABAIWWIYSA-N 1 1 312.797 3.231 20 5 DGBDMO C[N@H+](Cc1c(Cl)cccc1[N+](=O)[O-])C[C@H]1CCCC[C@@H]1O ZINC000119818346 284152831 /nfs/dbraw/zinc/15/28/31/284152831.db2.gz NWOYZARXODGZHT-ABAIWWIYSA-N 1 1 312.797 3.231 20 5 DGBDMO C[C@H](c1cccnc1)[N@@H+](C)CCOc1ccc([N+](=O)[O-])cc1 ZINC000093227915 193219248 /nfs/dbraw/zinc/21/92/48/193219248.db2.gz DMBPODGTYYPHSR-CYBMUJFWSA-N 1 1 301.346 3.062 20 5 DGBDMO COC(=O)[C@]1(C)CC[N@@H+](Cc2ccc(C(C)C)c([N+](=O)[O-])c2)C1 ZINC000093813787 193311411 /nfs/dbraw/zinc/31/14/11/193311411.db2.gz TZBODUQEEXEPDC-QGZVFWFLSA-N 1 1 320.389 3.103 20 5 DGBDMO COCC[N@@H+](Cc1c(F)cccc1[N+](=O)[O-])[C@@H]1CCC[C@@H]1C ZINC000487965742 245130689 /nfs/dbraw/zinc/13/06/89/245130689.db2.gz URODLFBCPWPYAB-SWLSCSKDSA-N 1 1 310.369 3.371 20 5 DGBDMO C[N@H+](CCc1cccc([N+](=O)[O-])c1)Cc1cnc(Cl)s1 ZINC000282460125 217012309 /nfs/dbraw/zinc/01/23/09/217012309.db2.gz MTIFWDCJQRONOX-UHFFFAOYSA-N 1 1 311.794 3.379 20 5 DGBDMO C[N@@H+](CCc1cccc([N+](=O)[O-])c1)Cc1cnc(Cl)s1 ZINC000282460125 217012313 /nfs/dbraw/zinc/01/23/13/217012313.db2.gz MTIFWDCJQRONOX-UHFFFAOYSA-N 1 1 311.794 3.379 20 5 DGBDMO CC[C@H]1C[N@H+](Cc2ccc(-c3cccc([N+](=O)[O-])c3)o2)CCO1 ZINC000125568137 284278402 /nfs/dbraw/zinc/27/84/02/284278402.db2.gz MXSQGDHFADNXFJ-HNNXBMFYSA-N 1 1 316.357 3.466 20 5 DGBDMO CC[C@H]1C[N@@H+](Cc2ccc(-c3cccc([N+](=O)[O-])c3)o2)CCO1 ZINC000125568137 284278406 /nfs/dbraw/zinc/27/84/06/284278406.db2.gz MXSQGDHFADNXFJ-HNNXBMFYSA-N 1 1 316.357 3.466 20 5 DGBDMO Cc1c([C@H](C)N[C@@H]2CC[N@H+]3CCCC[C@H]23)cccc1[N+](=O)[O-] ZINC000268779167 432133012 /nfs/dbraw/zinc/13/30/12/432133012.db2.gz PFFGSZGFPMNMKF-YSVLISHTSA-N 1 1 303.406 3.181 20 5 DGBDMO Cc1c([C@H](C)[NH2+][C@@H]2CCN3CCCC[C@H]23)cccc1[N+](=O)[O-] ZINC000268779167 432133017 /nfs/dbraw/zinc/13/30/17/432133017.db2.gz PFFGSZGFPMNMKF-YSVLISHTSA-N 1 1 303.406 3.181 20 5 DGBDMO O=[N+]([O-])c1ccc(CC[N@H+]2CCC[C@@H](OCC3CC3)C2)cc1 ZINC000494655257 246176782 /nfs/dbraw/zinc/17/67/82/246176782.db2.gz PWYGCUCGHXTFAQ-QGZVFWFLSA-N 1 1 304.390 3.028 20 5 DGBDMO CCCC[N@@H+](C)[C@@H](C)C(=O)Nc1ccc([N+](=O)[O-])cc1Cl ZINC000023991629 182371242 /nfs/dbraw/zinc/37/12/42/182371242.db2.gz GEKAQNRADJBURB-JTQLQIEISA-N 1 1 313.785 3.307 20 5 DGBDMO CC(C)Oc1ccc([N+](=O)[O-])cc1C[N@H+]1CCC[C@@H]1C[C@H](C)O ZINC000246543962 432142087 /nfs/dbraw/zinc/14/20/87/432142087.db2.gz DCQLHJHJGMOKDA-DZGCQCFKSA-N 1 1 322.405 3.117 20 5 DGBDMO CCc1noc(C)c1C[N@@H+](C)CCc1ccccc1[N+](=O)[O-] ZINC000285241018 218347508 /nfs/dbraw/zinc/34/75/08/218347508.db2.gz GQBTWEXFCHZZCD-UHFFFAOYSA-N 1 1 303.362 3.128 20 5 DGBDMO Cc1nc(C)c(C[N@@H+](C)CCc2ccccc2[N+](=O)[O-])s1 ZINC000285262295 218357878 /nfs/dbraw/zinc/35/78/78/218357878.db2.gz HYDJQLAUUCFPPL-UHFFFAOYSA-N 1 1 305.403 3.343 20 5 DGBDMO O=[N+]([O-])c1ccc(C[N@H+](CCCO)Cc2ccccc2)c(F)c1 ZINC000268941130 207104474 /nfs/dbraw/zinc/10/44/74/207104474.db2.gz BMUONWQSVKMRDD-UHFFFAOYSA-N 1 1 318.348 3.119 20 5 DGBDMO O=[N+]([O-])c1ccc(C[N@@H+](CCCO)Cc2ccccc2)c(F)c1 ZINC000268941130 207104475 /nfs/dbraw/zinc/10/44/75/207104475.db2.gz BMUONWQSVKMRDD-UHFFFAOYSA-N 1 1 318.348 3.119 20 5 DGBDMO Cc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@@H+]1CCCC[C@@H]1C ZINC000063481994 184283070 /nfs/dbraw/zinc/28/30/70/184283070.db2.gz DMAPLEROKLBBMB-ZDUSSCGKSA-N 1 1 305.378 3.106 20 5 DGBDMO C[N@H+](Cc1cc([N+](=O)[O-])cc2c1OCOC2)CC1CCCC1 ZINC000064021380 184291398 /nfs/dbraw/zinc/29/13/98/184291398.db2.gz UTLUXIOPLSGNBV-UHFFFAOYSA-N 1 1 306.362 3.083 20 5 DGBDMO O=[N+]([O-])c1cc(C[N@@H+]2CC[C@]3(C2)OCc2ccccc23)cs1 ZINC000186445283 285086483 /nfs/dbraw/zinc/08/64/83/285086483.db2.gz HCURICRANVTAOP-MRXNPFEDSA-N 1 1 316.382 3.288 20 5 DGBDMO O=[N+]([O-])c1cc(C[N@H+]2CC[C@]3(C2)OCc2ccccc23)cs1 ZINC000186445283 285086486 /nfs/dbraw/zinc/08/64/86/285086486.db2.gz HCURICRANVTAOP-MRXNPFEDSA-N 1 1 316.382 3.288 20 5 DGBDMO C[N@@H+](CCC(=O)Nc1ccccc1[N+](=O)[O-])[C@@H]1CCC(C)(C)C1 ZINC000337457596 253119802 /nfs/dbraw/zinc/11/98/02/253119802.db2.gz IOZPZJIRIOKHFW-CYBMUJFWSA-N 1 1 319.405 3.434 20 5 DGBDMO O=[N+]([O-])c1cc2ccccc2nc1N1CCC[C@@H](c2[nH]cc[nH+]2)C1 ZINC000276616776 285101526 /nfs/dbraw/zinc/10/15/26/285101526.db2.gz MGFAHBKMGZCGFT-CYBMUJFWSA-N 1 1 323.356 3.250 20 5 DGBDMO CCOc1cc(C[NH2+][C@@H](C)c2ccncc2F)ccc1[N+](=O)[O-] ZINC000338356224 253272216 /nfs/dbraw/zinc/27/22/16/253272216.db2.gz LQRNPORMJRWBGG-NSHDSACASA-N 1 1 319.336 3.378 20 5 DGBDMO O=[N+]([O-])c1ccc(C[N@H+]2CC3(CCC3)[C@@H]2C2CCOCC2)cc1 ZINC000425377295 285112112 /nfs/dbraw/zinc/11/21/12/285112112.db2.gz ZRRAGMIKQRGATL-KRWDZBQOSA-N 1 1 316.401 3.376 20 5 DGBDMO O=[N+]([O-])c1ccc(C[N@H+]2CCC[C@H](c3ncc[nH]3)C2)c(Cl)c1 ZINC000272963814 210349693 /nfs/dbraw/zinc/34/96/93/210349693.db2.gz NYBIRSPFGJFTJB-LBPRGKRZSA-N 1 1 320.780 3.351 20 5 DGBDMO O=[N+]([O-])c1ccc2c(c1)[C@@H]([N@H+]1CCC[C@]3(CCOC3)C1)CCC2 ZINC000453357971 285144014 /nfs/dbraw/zinc/14/40/14/285144014.db2.gz JNBXEWVHYLWSSG-ROUUACIJSA-N 1 1 316.401 3.475 20 5 DGBDMO O=[N+]([O-])c1cccc(Cl)c1C[N@@H+]1CCC[C@@H]1[C@@H]1CCCO1 ZINC000342021874 285153336 /nfs/dbraw/zinc/15/33/36/285153336.db2.gz OWZDBJFHUUGTDF-CABCVRRESA-N 1 1 310.781 3.392 20 5 DGBDMO O=[N+]([O-])c1cccc(Cl)c1C[N@H+]1CCC[C@@H]1[C@@H]1CCCO1 ZINC000342021874 285153337 /nfs/dbraw/zinc/15/33/37/285153337.db2.gz OWZDBJFHUUGTDF-CABCVRRESA-N 1 1 310.781 3.392 20 5 DGBDMO Cc1nc2ccc(CSc3ccc([N+](=O)[O-])cn3)cc2[nH]1 ZINC000342654504 254026131 /nfs/dbraw/zinc/02/61/31/254026131.db2.gz IMZFPXQFGGMIFE-UHFFFAOYSA-N 1 1 300.343 3.467 20 5 DGBDMO C[C@H](C(=O)Nc1ccccc1[N+](=O)[O-])[N@H+]1C[C@H](C)CC(C)(C)C1 ZINC000344066161 254220292 /nfs/dbraw/zinc/22/02/92/254220292.db2.gz PTDZOSRBZPCUCG-CHWSQXEVSA-N 1 1 319.405 3.290 20 5 DGBDMO CC[C@@]1(C)CC[N@@H+](CCC(=O)Nc2cccc([N+](=O)[O-])c2C)C1 ZINC000344293925 254252537 /nfs/dbraw/zinc/25/25/37/254252537.db2.gz YWRDKEMURMVGJK-KRWDZBQOSA-N 1 1 319.405 3.354 20 5 DGBDMO CC[C@@]1(C)CC[N@@H+](Cc2nnc(-c3ccc([N+](=O)[O-])cc3)o2)C1 ZINC000344206822 254239294 /nfs/dbraw/zinc/23/92/94/254239294.db2.gz ALXKSRPXKJMBDL-INIZCTEOSA-N 1 1 316.361 3.267 20 5 DGBDMO O=[N+]([O-])c1cnc2c(c1)C[N@H+](C[C@@H]1CCCC(F)(F)C1)CC2 ZINC000338302861 285184326 /nfs/dbraw/zinc/18/43/26/285184326.db2.gz UVSMKUULTJVZLZ-LLVKDONJSA-N 1 1 311.332 3.173 20 5 DGBDMO COc1cc([N+](=O)[O-])ccc1C[NH2+]C(C)(C)c1ccc(C)nc1 ZINC000430222880 533136576 /nfs/dbraw/zinc/13/65/76/533136576.db2.gz GQCUABMQYAVKHB-UHFFFAOYSA-N 1 1 315.373 3.332 20 5 DGBDMO Cc1c(C[N@H+]2CC(C)(C)[C@H]2[C@H]2CCCO2)cccc1[N+](=O)[O-] ZINC000289640700 221122262 /nfs/dbraw/zinc/12/22/62/221122262.db2.gz FPSCPIVXNWOSHF-HZPDHXFCSA-N 1 1 304.390 3.293 20 5 DGBDMO COc1ccc([N+](=O)[O-])cc1C[NH2+]Cc1cccc(C)c1F ZINC000294938550 533222036 /nfs/dbraw/zinc/22/20/36/533222036.db2.gz DRXAJKWIVJCZFI-UHFFFAOYSA-N 1 1 304.321 3.341 20 5 DGBDMO C/C(=C/c1cccc([N+](=O)[O-])c1)C[N@@H+]1CCO[C@@H](C(C)C)C1 ZINC000470207268 533383381 /nfs/dbraw/zinc/38/33/81/533383381.db2.gz CCZCUFQDSPIXQD-CRPZLVSXSA-N 1 1 304.390 3.355 20 5 DGBDMO C/C(=C/c1cccc([N+](=O)[O-])c1)C[N@H+]1CCO[C@@H](C(C)C)C1 ZINC000470207268 533383388 /nfs/dbraw/zinc/38/33/88/533383388.db2.gz CCZCUFQDSPIXQD-CRPZLVSXSA-N 1 1 304.390 3.355 20 5 DGBDMO COC(=O)[C@H]1CC[N@@H+]([C@@H](C)c2ccccc2[N+](=O)[O-])[C@H]1C(C)C ZINC000429398686 533438619 /nfs/dbraw/zinc/43/86/19/533438619.db2.gz VOQVJIPPWKZGOS-NOLJZWGESA-N 1 1 320.389 3.175 20 5 DGBDMO COc1cccc(NCCC[N@H+]2CCCC[C@@H]2C)c1[N+](=O)[O-] ZINC000317006772 533617626 /nfs/dbraw/zinc/61/76/26/533617626.db2.gz ILZYCRXLEKSFDJ-ZDUSSCGKSA-N 1 1 307.394 3.280 20 5 DGBDMO C[C@@H](O)[C@H]1CC[N@@H+](Cc2cc(=O)oc3ccc4ccccc4c23)C1 ZINC000272551672 130040994 /nfs/dbraw/zinc/04/09/94/130040994.db2.gz KRSZQASGGSRDDI-HIFRSBDPSA-N 1 1 323.392 3.149 20 5 DGBDMO CCC[N@H+]1CCC[C@H]1CN[C@@H](C)c1ccc([N+](=O)[O-])cc1OC ZINC000595052664 400090601 /nfs/dbraw/zinc/09/06/01/400090601.db2.gz ZTXQHIBEPQZVTE-ZFWWWQNUSA-N 1 1 321.421 3.128 20 5 DGBDMO CCCN1CCC[C@H]1C[NH2+][C@@H](C)c1ccc([N+](=O)[O-])cc1OC ZINC000595052664 400090606 /nfs/dbraw/zinc/09/06/06/400090606.db2.gz ZTXQHIBEPQZVTE-ZFWWWQNUSA-N 1 1 321.421 3.128 20 5 DGBDMO CC(C)(C)[N@@H+]1CC[C@@H](N[C@@H]2CCc3c2cccc3[N+](=O)[O-])C1 ZINC000595056684 400092982 /nfs/dbraw/zinc/09/29/82/400092982.db2.gz QODUYMDZGOGSMQ-IUODEOHRSA-N 1 1 303.406 3.045 20 5 DGBDMO CC(C)(C)[N@H+]1CC[C@@H](N[C@@H]2CCc3c2cccc3[N+](=O)[O-])C1 ZINC000595056684 400092986 /nfs/dbraw/zinc/09/29/86/400092986.db2.gz QODUYMDZGOGSMQ-IUODEOHRSA-N 1 1 303.406 3.045 20 5 DGBDMO Cc1ccc([C@H](C)N[C@@H]2CC[N@H+](C(C)(C)C)C2)cc1[N+](=O)[O-] ZINC000595056364 400093215 /nfs/dbraw/zinc/09/32/15/400093215.db2.gz FRPVHNOOGVFYKY-DZGCQCFKSA-N 1 1 305.422 3.427 20 5 DGBDMO Cc1ccc([C@H](C)[NH2+][C@@H]2CCN(C(C)(C)C)C2)cc1[N+](=O)[O-] ZINC000595056364 400093222 /nfs/dbraw/zinc/09/32/22/400093222.db2.gz FRPVHNOOGVFYKY-DZGCQCFKSA-N 1 1 305.422 3.427 20 5 DGBDMO CC[NH+](CC)CC1CCN(Cc2ccc(F)cc2[N+](=O)[O-])CC1 ZINC000595290529 400118564 /nfs/dbraw/zinc/11/85/64/400118564.db2.gz LUDUAHNXFCSISO-UHFFFAOYSA-N 1 1 323.412 3.288 20 5 DGBDMO C[N@H+](CCOc1ccccc1)Cc1ccc(F)cc1[N+](=O)[O-] ZINC000595292742 400118642 /nfs/dbraw/zinc/11/86/42/400118642.db2.gz VHIFAYAQLFHLCV-UHFFFAOYSA-N 1 1 304.321 3.245 20 5 DGBDMO C[N@@H+](CCOc1ccccc1)Cc1ccc(F)cc1[N+](=O)[O-] ZINC000595292742 400118648 /nfs/dbraw/zinc/11/86/48/400118648.db2.gz VHIFAYAQLFHLCV-UHFFFAOYSA-N 1 1 304.321 3.245 20 5 DGBDMO C[C@H](C(=O)Nc1ccc([N+](=O)[O-])cc1)[N@@H+](C)CC1CCCCC1 ZINC000584797942 400105893 /nfs/dbraw/zinc/10/58/93/400105893.db2.gz VXRPZSWKRCVZHR-CYBMUJFWSA-N 1 1 319.405 3.434 20 5 DGBDMO CCc1noc(C)c1C[NH2+][C@@H](C)c1ccc([N+](=O)[O-])cc1OC ZINC000595038409 400085100 /nfs/dbraw/zinc/08/51/00/400085100.db2.gz NNFHSXQEXBKHBF-JTQLQIEISA-N 1 1 319.361 3.313 20 5 DGBDMO C[N@H+]1CC[C@@]2(C1)CCCN(Cc1ccc(Cl)cc1[N+](=O)[O-])C2 ZINC000595508195 400171905 /nfs/dbraw/zinc/17/19/05/400171905.db2.gz VFUVVKJJUWANFL-MRXNPFEDSA-N 1 1 323.824 3.166 20 5 DGBDMO CC1(C)C[C@H]([N@H+]2CCC[C@H](c3ccc([N+](=O)[O-])cc3)C2)CO1 ZINC000595525242 400177824 /nfs/dbraw/zinc/17/78/24/400177824.db2.gz QDVWJXHOUHKTIJ-HOCLYGCPSA-N 1 1 304.390 3.342 20 5 DGBDMO O=[N+]([O-])c1cc(F)ccc1C[N@@H+]1C[C@@H](O)C[C@H]1c1ccccc1 ZINC000595536587 400179390 /nfs/dbraw/zinc/17/93/90/400179390.db2.gz ZZKJJFOLOGPEJY-HOTGVXAUSA-N 1 1 316.332 3.042 20 5 DGBDMO O=[N+]([O-])c1cc(F)ccc1C[N@H+]1C[C@@H](O)C[C@H]1c1ccccc1 ZINC000595536587 400179393 /nfs/dbraw/zinc/17/93/93/400179393.db2.gz ZZKJJFOLOGPEJY-HOTGVXAUSA-N 1 1 316.332 3.042 20 5 DGBDMO CCOC(=O)CC[N@@H+](C/C=C/c1ccccc1[N+](=O)[O-])C1CC1 ZINC000092532128 400180036 /nfs/dbraw/zinc/18/00/36/400180036.db2.gz MMVOSIGTDFSFIS-FNORWQNLSA-N 1 1 318.373 3.026 20 5 DGBDMO COc1ccccc1CC[N@@H+](C)Cc1ccc(F)cc1[N+](=O)[O-] ZINC000595302829 400123434 /nfs/dbraw/zinc/12/34/34/400123434.db2.gz LHMWCERISJDIIU-UHFFFAOYSA-N 1 1 318.348 3.417 20 5 DGBDMO Cc1noc(C[NH+]2CCC(c3ccccc3F)CC2)c1[N+](=O)[O-] ZINC000595322039 400127017 /nfs/dbraw/zinc/12/70/17/400127017.db2.gz PLYWCSMNGAPIGI-UHFFFAOYSA-N 1 1 319.336 3.410 20 5 DGBDMO Cc1noc(C[N@@H+]2CC[C@@H](c3ccccc3)[C@@H]2C)c1[N+](=O)[O-] ZINC000595339500 400130449 /nfs/dbraw/zinc/13/04/49/400130449.db2.gz QEMJZZRREVDBJA-GXTWGEPZSA-N 1 1 301.346 3.269 20 5 DGBDMO C[C@@H]([NH2+]Cc1nn(C)c2ccccc12)c1cccc([N+](=O)[O-])c1 ZINC000608982436 400135208 /nfs/dbraw/zinc/13/52/08/400135208.db2.gz GSDSTORMQVPWKU-GFCCVEGCSA-N 1 1 310.357 3.332 20 5 DGBDMO Cc1noc(C[NH2+][C@]2(C)CCCc3ccccc32)c1[N+](=O)[O-] ZINC000595373868 400136035 /nfs/dbraw/zinc/13/60/35/400136035.db2.gz WNSBEICCVBUGLE-MRXNPFEDSA-N 1 1 301.346 3.233 20 5 DGBDMO Cc1cc(C2CC[NH+](Cc3ccc(F)cc3[N+](=O)[O-])CC2)n[nH]1 ZINC000595407578 400140444 /nfs/dbraw/zinc/14/04/44/400140444.db2.gz CFRQFUWMRDGGNU-UHFFFAOYSA-N 1 1 318.352 3.145 20 5 DGBDMO Cc1cc(C2CC[NH+](Cc3ccc(F)cc3[N+](=O)[O-])CC2)[nH]n1 ZINC000595407578 400140447 /nfs/dbraw/zinc/14/04/47/400140447.db2.gz CFRQFUWMRDGGNU-UHFFFAOYSA-N 1 1 318.352 3.145 20 5 DGBDMO Cc1noc(C[N@H+]2CCC[C@@]2(C)Cc2ccccc2)c1[N+](=O)[O-] ZINC000595436988 400150010 /nfs/dbraw/zinc/15/00/10/400150010.db2.gz BYEQQQNFFPWBLL-KRWDZBQOSA-N 1 1 315.373 3.488 20 5 DGBDMO CCC[N@H+]1CC[C@@H](CNc2ccc([N+](=O)[O-])c3cccnc23)C1 ZINC000092621885 400187085 /nfs/dbraw/zinc/18/70/85/400187085.db2.gz RHGIJBUZJDXIJG-ZDUSSCGKSA-N 1 1 314.389 3.287 20 5 DGBDMO CC(C)(C)C[N@@H+](CCO)Cc1ccc(Cl)cc1[N+](=O)[O-] ZINC000609705084 400187357 /nfs/dbraw/zinc/18/73/57/400187357.db2.gz OOFQWFMTOOTECZ-UHFFFAOYSA-N 1 1 300.786 3.089 20 5 DGBDMO Cc1noc(C[N@@H+](C)CC2(c3ccccc3)CC2)c1[N+](=O)[O-] ZINC000595452039 400154873 /nfs/dbraw/zinc/15/48/73/400154873.db2.gz GSMSCVRRSPXJNZ-UHFFFAOYSA-N 1 1 301.346 3.055 20 5 DGBDMO Cc1noc(C[N@H+](C)CC2(c3ccccc3)CC2)c1[N+](=O)[O-] ZINC000595452039 400154877 /nfs/dbraw/zinc/15/48/77/400154877.db2.gz GSMSCVRRSPXJNZ-UHFFFAOYSA-N 1 1 301.346 3.055 20 5 DGBDMO Cc1ccc([N+](=O)[O-])cc1[C@@H](C)N1CCC[C@@]2(CC[N@@H+](C)C2)C1 ZINC000595505236 400170012 /nfs/dbraw/zinc/17/00/12/400170012.db2.gz QZRXCJJCZSRFLN-QAPCUYQASA-N 1 1 317.433 3.382 20 5 DGBDMO C[C@@H](CO)[C@@H]1CCCC[N@H+]1Cc1ccc(Cl)cc1[N+](=O)[O-] ZINC000595676734 400224421 /nfs/dbraw/zinc/22/44/21/400224421.db2.gz NSJWEVMBANSESH-FZMZJTMJSA-N 1 1 312.797 3.231 20 5 DGBDMO C[C@@H](CO)[C@H]1CCCC[N@H+]1Cc1ccc([N+](=O)[O-])cc1Cl ZINC000595677568 400224657 /nfs/dbraw/zinc/22/46/57/400224657.db2.gz PAXHNFYMNIYPRP-XHDPSFHLSA-N 1 1 312.797 3.231 20 5 DGBDMO Cc1ccc(C[N@@H+](CCCO)Cc2ccccc2)cc1[N+](=O)[O-] ZINC000093102094 400227102 /nfs/dbraw/zinc/22/71/02/400227102.db2.gz LSYNEZLFSLKPRE-UHFFFAOYSA-N 1 1 314.385 3.288 20 5 DGBDMO Cc1noc(C)c1[C@H](C)Nc1cc[nH+]c2ccc([N+](=O)[O-])cc12 ZINC000601117048 400239183 /nfs/dbraw/zinc/23/91/83/400239183.db2.gz WLDFYOJNIRPHLR-VIFPVBQESA-N 1 1 312.329 3.343 20 5 DGBDMO CCO[C@@H]1CCN(c2cc[nH+]c3ccc([N+](=O)[O-])cc32)C[C@H]1C ZINC000601171813 400256527 /nfs/dbraw/zinc/25/65/27/400256527.db2.gz QKHPQWBCKWEWKD-SJKOYZFVSA-N 1 1 315.373 3.394 20 5 DGBDMO CC[C@H]1CN(c2cc[nH+]c3ccc([N+](=O)[O-])cc32)CCCO1 ZINC000601160044 400252047 /nfs/dbraw/zinc/25/20/47/400252047.db2.gz QKJDVEFNNVMCCU-ZDUSSCGKSA-N 1 1 301.346 3.148 20 5 DGBDMO O=[N+]([O-])c1ccc(OCCC[N@H+]2CCCc3occc3C2)cc1 ZINC000588985785 400252970 /nfs/dbraw/zinc/25/29/70/400252970.db2.gz GMWHEDUTCINAMJ-UHFFFAOYSA-N 1 1 316.357 3.405 20 5 DGBDMO C[C@H](C(=O)Nc1cccc([N+](=O)[O-])c1)[N@H+](C)Cc1ccccc1 ZINC000021822064 400195146 /nfs/dbraw/zinc/19/51/46/400195146.db2.gz ASNQDLWXSIJJOY-CYBMUJFWSA-N 1 1 313.357 3.054 20 5 DGBDMO C[C@H](C(=O)Nc1cccc([N+](=O)[O-])c1)[N@@H+](C)Cc1ccccc1 ZINC000021822064 400195152 /nfs/dbraw/zinc/19/51/52/400195152.db2.gz ASNQDLWXSIJJOY-CYBMUJFWSA-N 1 1 313.357 3.054 20 5 DGBDMO C[C@@H](C(=O)Nc1cccc([N+](=O)[O-])c1)[N@H+](C)Cc1ccccc1 ZINC000021822065 400195178 /nfs/dbraw/zinc/19/51/78/400195178.db2.gz ASNQDLWXSIJJOY-ZDUSSCGKSA-N 1 1 313.357 3.054 20 5 DGBDMO C[C@@H](C(=O)Nc1cccc([N+](=O)[O-])c1)[N@@H+](C)Cc1ccccc1 ZINC000021822065 400195184 /nfs/dbraw/zinc/19/51/84/400195184.db2.gz ASNQDLWXSIJJOY-ZDUSSCGKSA-N 1 1 313.357 3.054 20 5 DGBDMO Cc1cc([N+](=O)[O-])cnc1NC[C@@H]1CCC[N@H+](CC(C)C)C1 ZINC000092687120 400195464 /nfs/dbraw/zinc/19/54/64/400195464.db2.gz BMXZAXDFKJLMPV-AWEZNQCLSA-N 1 1 306.410 3.078 20 5 DGBDMO Cc1cccc(C)c1[C@@H]1CCC[N@H+]1CCn1cc([N+](=O)[O-])cn1 ZINC000595601692 400200092 /nfs/dbraw/zinc/20/00/92/400200092.db2.gz QKVGICFTAPNWJK-INIZCTEOSA-N 1 1 314.389 3.245 20 5 DGBDMO O=[N+]([O-])c1ccccc1NCCc1[nH+]ccn1Cc1ccccc1 ZINC000024203475 400216788 /nfs/dbraw/zinc/21/67/88/400216788.db2.gz DTPJOWQSQXEMLL-UHFFFAOYSA-N 1 1 322.368 3.494 20 5 DGBDMO O=C1CCCC12CC[NH+](Cc1ccc(F)cc1[N+](=O)[O-])CC2 ZINC000595814637 400266907 /nfs/dbraw/zinc/26/69/07/400266907.db2.gz BZPRCRNWFLEINR-UHFFFAOYSA-N 1 1 306.337 3.069 20 5 DGBDMO Cc1cccc(N2CC[NH+](Cc3cccc([N+](=O)[O-])c3)CC2)c1 ZINC000027381456 400271816 /nfs/dbraw/zinc/27/18/16/400271816.db2.gz LJQVERGGGYKZNT-UHFFFAOYSA-N 1 1 311.385 3.225 20 5 DGBDMO CCOC1CC2(C1)CC[N@@H+](C/C=C\c1ccccc1[N+](=O)[O-])C2 ZINC000589190238 400272306 /nfs/dbraw/zinc/27/23/06/400272306.db2.gz UNTHZXKAPPCJOW-ALCCZGGFSA-N 1 1 316.401 3.499 20 5 DGBDMO 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400262015 /nfs/dbraw/zinc/26/20/15/400262015.db2.gz RJMBRRSSYUVLIQ-AWEZNQCLSA-N 1 1 311.385 3.454 20 5 DGBDMO CCC[C@@H]([NH2+]Cc1cc(C)ncn1)c1cccc([N+](=O)[O-])c1 ZINC000611337255 400379716 /nfs/dbraw/zinc/37/97/16/400379716.db2.gz MADZLSIQXBUMEM-MRXNPFEDSA-N 1 1 300.362 3.324 20 5 DGBDMO CC(C)(C)[N@H+]1CC[C@H](Nc2ccc3ncccc3c2[N+](=O)[O-])C1 ZINC000596335172 400384486 /nfs/dbraw/zinc/38/44/86/400384486.db2.gz GJEUPWMSGJQYSI-LBPRGKRZSA-N 1 1 314.389 3.428 20 5 DGBDMO C[C@@H]1CC[C@H](C)[N@@H+]1[C@@H]1CCCN(c2ccc([N+](=O)[O-])s2)C1 ZINC000611370367 400384972 /nfs/dbraw/zinc/38/49/72/400384972.db2.gz JCUIGWAICHUMMH-FRRDWIJNSA-N 1 1 309.435 3.498 20 5 DGBDMO CC[N@H+]1CCN(c2ccc([N+](=O)[O-])c(OC(C)(C)C)c2)C[C@H]1C ZINC000611204025 400359178 /nfs/dbraw/zinc/35/91/78/400359178.db2.gz YXXVZGYQICXPBZ-CYBMUJFWSA-N 1 1 321.421 3.303 20 5 DGBDMO C[N@H+]1CCN(c2ncc(Cl)cc2[N+](=O)[O-])CC12CCCCC2 ZINC000596251119 400360138 /nfs/dbraw/zinc/36/01/38/400360138.db2.gz NZFKXBHSUSQRJL-UHFFFAOYSA-N 1 1 324.812 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ZINC000599072066 400949912 /nfs/dbraw/zinc/94/99/12/400949912.db2.gz XHNSTWHFDYCBIG-YOEHRIQHSA-N 1 1 305.422 3.367 20 5 DGBDMO CC[C@H](NC[C@@H]1CCCC[N@H+](C)C1)c1cccc([N+](=O)[O-])c1 ZINC000599072066 400949919 /nfs/dbraw/zinc/94/99/19/400949919.db2.gz XHNSTWHFDYCBIG-YOEHRIQHSA-N 1 1 305.422 3.367 20 5 DGBDMO CC[C@H](NC[C@@H]1CCCC[N@@H+](C)C1)c1cccc([N+](=O)[O-])c1 ZINC000599072066 400949925 /nfs/dbraw/zinc/94/99/25/400949925.db2.gz XHNSTWHFDYCBIG-YOEHRIQHSA-N 1 1 305.422 3.367 20 5 DGBDMO O=[N+]([O-])c1c(N[C@@H]2CC[N@H+]3CCC[C@@H]3C2)ccc2cnccc21 ZINC000599023287 400929726 /nfs/dbraw/zinc/92/97/26/400929726.db2.gz DNQBOUDNYDFZDT-ZIAGYGMSSA-N 1 1 312.373 3.182 20 5 DGBDMO COc1ccc([N+](=O)[O-])c(NC[C@@H]2CC[N@H+]2C2CCCC2)c1 ZINC000599166586 400983780 /nfs/dbraw/zinc/98/37/80/400983780.db2.gz YGXQDZAQOWUOQU-ZDUSSCGKSA-N 1 1 305.378 3.032 20 5 DGBDMO COc1ccc([N+](=O)[O-])c(NC[C@H]2CC[N@H+]2C2CCCC2)c1 ZINC000599166585 400983983 /nfs/dbraw/zinc/98/39/83/400983983.db2.gz 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C[N@@H+](CCCO[C@@H]1CCCCO1)CCc1ccccc1[N+](=O)[O-] ZINC000352560373 265089239 /nfs/dbraw/zinc/08/92/39/265089239.db2.gz DTOCSKWKUMGFLW-QGZVFWFLSA-N 1 1 322.405 3.002 20 5 DGBDMO CO[C@@]1(C)C[C@H]([N@@H+](C)Cc2ccc([N+](=O)[O-])cc2F)C1(C)C ZINC000352612685 265104912 /nfs/dbraw/zinc/10/49/12/265104912.db2.gz QPYQJWJTMCZLCL-HOCLYGCPSA-N 1 1 310.369 3.369 20 5 DGBDMO CCc1ccc(C[NH2+]Cc2ccc([N+](=O)[O-])cc2Cl)cn1 ZINC000352742778 265148695 /nfs/dbraw/zinc/14/86/95/265148695.db2.gz QCTXSADSOIUHMD-UHFFFAOYSA-N 1 1 305.765 3.495 20 5 DGBDMO C[C@H]1CC[C@@H](c2ccccc2)[N@@H+](CCn2cc([N+](=O)[O-])cn2)C1 ZINC000352791299 265169664 /nfs/dbraw/zinc/16/96/64/265169664.db2.gz HPVOUPHJGDMJCD-YOEHRIQHSA-N 1 1 314.389 3.265 20 5 DGBDMO C[C@@H]1CC[C@H](c2ccccc2)[N@@H+](CCn2ccc([N+](=O)[O-])n2)C1 ZINC000352791830 265169679 /nfs/dbraw/zinc/16/96/79/265169679.db2.gz JGZOKBMKTSGASA-GDBMZVCRSA-N 1 1 314.389 3.265 20 5 DGBDMO CCC[N@@H+](CC)CCNC(=O)c1ccc(C(C)C)c([N+](=O)[O-])c1 ZINC000352994858 265258063 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274284050 /nfs/dbraw/zinc/28/40/50/274284050.db2.gz HWQFOHKUONFJRJ-LLVKDONJSA-N 1 1 316.361 3.408 20 5 DGBDMO CCC[C@]1(CO)CC[N@H+]([C@@H](C)c2cc([N+](=O)[O-])ccc2C)C1 ZINC000288671825 276053673 /nfs/dbraw/zinc/05/36/73/276053673.db2.gz CGTQAHWNXZTHTF-YOEHRIQHSA-N 1 1 306.406 3.449 20 5 DGBDMO CC(C)c1ccc(C[N@H+]2CC[C@@]3(CCOC3)C2)cc1[N+](=O)[O-] ZINC000093820394 278036469 /nfs/dbraw/zinc/03/64/69/278036469.db2.gz GSOWYNYBIIQABC-QGZVFWFLSA-N 1 1 304.390 3.331 20 5 DGBDMO Cc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@@H+]1CCC[C@@H](C)CC1 ZINC000068838149 431144744 /nfs/dbraw/zinc/14/47/44/431144744.db2.gz NUNXVOMHXXNNRR-CYBMUJFWSA-N 1 1 319.405 3.354 20 5 DGBDMO COc1ccc([N+](=O)[O-])cc1C[N@@H+]1CCC[C@H]1c1cccn1C ZINC000070755374 431258881 /nfs/dbraw/zinc/25/88/81/431258881.db2.gz YLSNEGGBWJXZIJ-INIZCTEOSA-N 1 1 315.373 3.279 20 5 DGBDMO COc1ccc([N+](=O)[O-])cc1C[N@H+]1CCC[C@H]1c1cccn1C ZINC000070755374 431258886 /nfs/dbraw/zinc/25/88/86/431258886.db2.gz YLSNEGGBWJXZIJ-INIZCTEOSA-N 1 1 315.373 3.279 20 5 DGBDMO C[C@@H]1CCCC[N@@H+]1CC(=O)Nc1ccc(Cl)cc1[N+](=O)[O-] ZINC000007486622 431350327 /nfs/dbraw/zinc/35/03/27/431350327.db2.gz KLBKGFKJTLOQOL-SNVBAGLBSA-N 1 1 311.769 3.061 20 5 DGBDMO C[C@@H]1CCCC[N@H+]1CC(=O)Nc1ccc(Cl)cc1[N+](=O)[O-] ZINC000007486622 431350334 /nfs/dbraw/zinc/35/03/34/431350334.db2.gz KLBKGFKJTLOQOL-SNVBAGLBSA-N 1 1 311.769 3.061 20 5 DGBDMO Cc1ccc([N+](=O)[O-])cc1NC(=O)C[N@@H+]1[C@H](C)CCC[C@@H]1C ZINC000009997899 431452236 /nfs/dbraw/zinc/45/22/36/431452236.db2.gz VDZBWUGQGSYJHZ-BETUJISGSA-N 1 1 305.378 3.105 20 5 DGBDMO CC[C@H]1CCC[N@H+](CC(=O)Nc2c(C)cccc2[N+](=O)[O-])CC1 ZINC000117344863 431557525 /nfs/dbraw/zinc/55/75/25/431557525.db2.gz ADPDXFRMENNGSW-AWEZNQCLSA-N 1 1 319.405 3.354 20 5 DGBDMO CC[C@H]1CCC[N@@H+](CC(=O)Nc2c(C)cccc2[N+](=O)[O-])CC1 ZINC000117344863 431557531 /nfs/dbraw/zinc/55/75/31/431557531.db2.gz ADPDXFRMENNGSW-AWEZNQCLSA-N 1 1 319.405 3.354 20 5 DGBDMO Cc1ccc([N+](=O)[O-])cc1NC(=O)C[N@H+](C)[C@H]1CCC[C@H](C)C1 ZINC000026468705 431676381 /nfs/dbraw/zinc/67/63/81/431676381.db2.gz ALTSKPGOPXCWJN-JSGCOSHPSA-N 1 1 319.405 3.352 20 5 DGBDMO CN(C)c1cccc(C[N@@H+](C)CCc2ccc([N+](=O)[O-])cc2)c1 ZINC000028386993 431705266 /nfs/dbraw/zinc/70/52/66/431705266.db2.gz SUTOOKKXYBIMPE-UHFFFAOYSA-N 1 1 313.401 3.335 20 5 DGBDMO CC[C@@H]1CCC[N@@H+](Cc2cc([N+](=O)[O-])cc3c2OCOC3)C1 ZINC000030142362 431731537 /nfs/dbraw/zinc/73/15/37/431731537.db2.gz RYRFJSFPQGTPRG-GFCCVEGCSA-N 1 1 306.362 3.083 20 5 DGBDMO C[C@@H](C1CC1)[N@@H+](Cc1cc([N+](=O)[O-])cc2c1OCOC2)C1CC1 ZINC000031654379 431761051 /nfs/dbraw/zinc/76/10/51/431761051.db2.gz NKTMRKAPXSPGEH-NSHDSACASA-N 1 1 318.373 3.224 20 5 DGBDMO CC(C)CCO[C@@H]1CC[N@@H+](CCc2ccc([N+](=O)[O-])cc2)C1 ZINC000083246811 431808486 /nfs/dbraw/zinc/80/84/86/431808486.db2.gz SZSLWMXXDPFKGB-QGZVFWFLSA-N 1 1 306.406 3.274 20 5 DGBDMO COc1ccc([C@@H](C)[NH2+]Cc2ccccc2[N+](=O)[O-])c(OC)c1 ZINC000121317963 431769027 /nfs/dbraw/zinc/76/90/27/431769027.db2.gz MZCLEWGIHBDHCZ-GFCCVEGCSA-N 1 1 316.357 3.463 20 5 DGBDMO Cn1cc[nH+]c1CCNc1c(Cl)cc([N+](=O)[O-])cc1Cl ZINC000122675266 431842097 /nfs/dbraw/zinc/84/20/97/431842097.db2.gz KOKWUSDYGMYNEZ-UHFFFAOYSA-N 1 1 315.160 3.290 20 5 DGBDMO Cc1c(NC(=O)[C@H](C)[N@H+]2CC[C@H](C)[C@H](C)C2)cccc1[N+](=O)[O-] ZINC000123002096 431851542 /nfs/dbraw/zinc/85/15/42/431851542.db2.gz SNVWNOXXMLRSQW-SCRDCRAPSA-N 1 1 319.405 3.208 20 5 DGBDMO Cc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@@H+]1[C@H](C)CC[C@@H]1C ZINC000123191908 431858246 /nfs/dbraw/zinc/85/82/46/431858246.db2.gz NIUFYGHFEGIWST-BETUJISGSA-N 1 1 305.378 3.105 20 5 DGBDMO C[C@H]1C[N@H+](Cc2nc(-c3ccc([N+](=O)[O-])cc3)no2)CC[C@@H]1C ZINC000122606908 431839335 /nfs/dbraw/zinc/83/93/35/431839335.db2.gz KNWATDMQGDDCBK-RYUDHWBXSA-N 1 1 316.361 3.123 20 5 DGBDMO C[C@]1(O)CCC[N@@H+](Cc2cc(=O)oc3ccc4ccccc4c23)C1 ZINC000124760167 431903648 /nfs/dbraw/zinc/90/36/48/431903648.db2.gz NBNGWYQOIVFGMK-FQEVSTJZSA-N 1 1 323.392 3.293 20 5 DGBDMO C[C@H](c1ccncc1)[N@@H+](C)CCOc1cccc([N+](=O)[O-])c1 ZINC000127506244 431974126 /nfs/dbraw/zinc/97/41/26/431974126.db2.gz DNJCEXZZYOTEIY-CYBMUJFWSA-N 1 1 301.346 3.062 20 5 DGBDMO CCC[N@@H+](CC)CCNC(=O)Nc1c(C)ccc([N+](=O)[O-])c1C ZINC000127573984 431976057 /nfs/dbraw/zinc/97/60/57/431976057.db2.gz OHJGAXQLXLVYDD-UHFFFAOYSA-N 1 1 322.409 3.065 20 5 DGBDMO CC[C@H](C)[N@@H+](C)CCNC(=O)Nc1c(C)ccc([N+](=O)[O-])c1C ZINC000127609035 431976761 /nfs/dbraw/zinc/97/67/61/431976761.db2.gz YHDAFQJVGQIMKD-LBPRGKRZSA-N 1 1 322.409 3.063 20 5 DGBDMO CC(C)[N@H+]1CC[C@H](CNCc2ccc([N+](=O)[O-])cc2Cl)C1 ZINC000049963833 431945492 /nfs/dbraw/zinc/94/54/92/431945492.db2.gz ALOWVJMLTLNUTQ-GFCCVEGCSA-N 1 1 311.813 3.068 20 5 DGBDMO CC(=O)c1ccc(NC[C@H](C)[N@H+]2CCC[C@H](C)C2)c([N+](=O)[O-])c1 ZINC000052160002 431955159 /nfs/dbraw/zinc/95/51/59/431955159.db2.gz MVHIVOJXHJULQP-STQMWFEESA-N 1 1 319.405 3.330 20 5 DGBDMO O=[N+]([O-])c1ccc(C[NH2+]Cc2ccc3c[nH]nc3c2)c(Cl)c1 ZINC000183799692 432327200 /nfs/dbraw/zinc/32/72/00/432327200.db2.gz AKHCFPBQMGWLGT-UHFFFAOYSA-N 1 1 316.748 3.414 20 5 DGBDMO CC[C@H]1CCC[N@H+]([C@H](C)C(=O)Nc2cccc([N+](=O)[O-])c2C)C1 ZINC000248899436 432327723 /nfs/dbraw/zinc/32/77/23/432327723.db2.gz PIEYCNWWGWLZIQ-KGLIPLIRSA-N 1 1 319.405 3.352 20 5 DGBDMO CC[C@@H]1C[N@@H+](Cc2cc(=O)oc3ccc4ccccc4c23)C[C@H]1O ZINC000270932687 432304721 /nfs/dbraw/zinc/30/47/21/432304721.db2.gz QJTLJEOQOUCSGF-CXAGYDPISA-N 1 1 323.392 3.149 20 5 DGBDMO Cc1nccn1CCC[N@@H+](Cc1ccc([N+](=O)[O-])cc1)C1CC1 ZINC000270951214 432306748 /nfs/dbraw/zinc/30/67/48/432306748.db2.gz XMLYEEKNQSBHMC-UHFFFAOYSA-N 1 1 314.389 3.154 20 5 DGBDMO O=[N+]([O-])c1cnn(CC[N@H+]2CCC[C@H](c3ccccc3)CC2)c1 ZINC000174843924 432375629 /nfs/dbraw/zinc/37/56/29/432375629.db2.gz RRYNGQUNMQJUDI-INIZCTEOSA-N 1 1 314.389 3.061 20 5 DGBDMO CC(=O)c1ccc(NC[C@@H](C)[N@H+]2CCC[C@H](C)C2)c([N+](=O)[O-])c1 ZINC000252153245 432375781 /nfs/dbraw/zinc/37/57/81/432375781.db2.gz MVHIVOJXHJULQP-QWHCGFSZSA-N 1 1 319.405 3.330 20 5 DGBDMO O=[N+]([O-])c1cnc(NC[C@@H]2CCC[N@H+]2Cc2ccccc2)s1 ZINC000192455923 432376705 /nfs/dbraw/zinc/37/67/05/432376705.db2.gz WAAVBANNXQMHOJ-ZDUSSCGKSA-N 1 1 318.402 3.128 20 5 DGBDMO C[C@H]1C[C@H](c2ccccc2F)[N@@H+](CCn2cc([N+](=O)[O-])cn2)C1 ZINC000174878241 432377482 /nfs/dbraw/zinc/37/74/82/432377482.db2.gz ATFGGHQBXOGDNK-BLLLJJGKSA-N 1 1 318.352 3.014 20 5 DGBDMO CC(C)[N@@H+](Cc1nnc(-c2ccc([N+](=O)[O-])cc2)o1)C1CC1 ZINC000193045569 432442014 /nfs/dbraw/zinc/44/20/14/432442014.db2.gz VTZGISYXHPEJFD-UHFFFAOYSA-N 1 1 302.334 3.018 20 5 DGBDMO COc1cc(C[N@H+](C)Cc2ccccc2[N+](=O)[O-])cc(OC)c1 ZINC000193527442 432479194 /nfs/dbraw/zinc/47/91/94/432479194.db2.gz JDLNPDFLDODFLP-UHFFFAOYSA-N 1 1 316.357 3.244 20 5 DGBDMO COc1cc(C[N@@H+](C)Cc2ccccc2[N+](=O)[O-])cc(OC)c1 ZINC000193527442 432479201 /nfs/dbraw/zinc/47/92/01/432479201.db2.gz JDLNPDFLDODFLP-UHFFFAOYSA-N 1 1 316.357 3.244 20 5 DGBDMO O=[N+]([O-])c1ccn(CC[N@H+]2CCCCC[C@H]2c2ccccc2)n1 ZINC000176212416 432501851 /nfs/dbraw/zinc/50/18/51/432501851.db2.gz CSQHHUZIFGKYTF-INIZCTEOSA-N 1 1 314.389 3.409 20 5 DGBDMO C[N@@H+]1CCN(Cc2csc([N+](=O)[O-])c2)[C@H](c2ccccc2)C1 ZINC000155216925 432543910 /nfs/dbraw/zinc/54/39/10/432543910.db2.gz BSBBMPIGTDSINR-HNNXBMFYSA-N 1 1 317.414 3.145 20 5 DGBDMO C[N@H+]1CCN(Cc2csc([N+](=O)[O-])c2)[C@H](c2ccccc2)C1 ZINC000155216925 432543914 /nfs/dbraw/zinc/54/39/14/432543914.db2.gz BSBBMPIGTDSINR-HNNXBMFYSA-N 1 1 317.414 3.145 20 5 DGBDMO Cc1ccc([C@@H](C)[NH2+][C@@H](CCO)c2ccco2)cc1[N+](=O)[O-] ZINC000186531065 432605211 /nfs/dbraw/zinc/60/52/11/432605211.db2.gz KMWFWSZHMSOLJY-OCCSQVGLSA-N 1 1 304.346 3.271 20 5 DGBDMO Cc1ccc([N+](=O)[O-])cc1[C@@H](C)NCC[NH+]1CCC(C)CC1 ZINC000156003159 432586459 /nfs/dbraw/zinc/58/64/59/432586459.db2.gz OMMJCEQLRBEDJO-OAHLLOKOSA-N 1 1 305.422 3.286 20 5 DGBDMO C[C@H]([N@@H+](C)Cc1nc(-c2ccc([N+](=O)[O-])cc2)no1)C1(C)CC1 ZINC000177252822 432604765 /nfs/dbraw/zinc/60/47/65/432604765.db2.gz ZPXAGDNJGXCOPY-NSHDSACASA-N 1 1 316.361 3.265 20 5 DGBDMO COc1cc(C[N@H+]2CCCC[C@H](C)C2)c([N+](=O)[O-])cc1OC ZINC000187516973 432666677 /nfs/dbraw/zinc/66/66/77/432666677.db2.gz UXDXMVPESQIQJU-LBPRGKRZSA-N 1 1 308.378 3.234 20 5 DGBDMO CC(C)[N@H+]1CCC[C@@H](CNc2ncc([N+](=O)[O-])cc2Cl)C1 ZINC000265578171 432710811 /nfs/dbraw/zinc/71/08/11/432710811.db2.gz VYJTVFITQICJNO-NSHDSACASA-N 1 1 312.801 3.176 20 5 DGBDMO Cc1[nH+]cn(Cc2ccc(Br)cc2[N+](=O)[O-])c1C ZINC000162479866 432824497 /nfs/dbraw/zinc/82/44/97/432824497.db2.gz AWRLKWQRDZSZGR-UHFFFAOYSA-N 1 1 310.151 3.219 20 5 DGBDMO CCOc1ccc([C@@H](C)NC[C@H]2CCC[N@@H+]2CC)cc1[N+](=O)[O-] ZINC000245508525 432838307 /nfs/dbraw/zinc/83/83/07/432838307.db2.gz SBQJVWXETDXHSX-UKRRQHHQSA-N 1 1 321.421 3.128 20 5 DGBDMO CCOc1ccc([C@@H](C)NC[C@H]2CCC[N@H+]2CC)cc1[N+](=O)[O-] ZINC000245508525 432838310 /nfs/dbraw/zinc/83/83/10/432838310.db2.gz SBQJVWXETDXHSX-UKRRQHHQSA-N 1 1 321.421 3.128 20 5 DGBDMO C[N@@H+](CCCCO)Cc1cc(=O)oc2ccc3ccccc3c12 ZINC000276430609 432807688 /nfs/dbraw/zinc/80/76/88/432807688.db2.gz SAGBOSLAOJWKSY-UHFFFAOYSA-N 1 1 311.381 3.151 20 5 DGBDMO C[N@H+](Cc1ccc([N+](=O)[O-])cc1F)[C@H](CCO)c1ccccc1 ZINC000267031029 432808589 /nfs/dbraw/zinc/80/85/89/432808589.db2.gz MMQNXONLCOLKJV-QGZVFWFLSA-N 1 1 318.348 3.289 20 5 DGBDMO C[N@@H+](Cc1ccc([N+](=O)[O-])cc1F)[C@H](CCO)c1ccccc1 ZINC000267031029 432808593 /nfs/dbraw/zinc/80/85/93/432808593.db2.gz MMQNXONLCOLKJV-QGZVFWFLSA-N 1 1 318.348 3.289 20 5 DGBDMO CC[C@@]1(CO)CCC[N@H+]1Cc1cc([N+](=O)[O-])ccc1OC(C)C ZINC000189666018 432808609 /nfs/dbraw/zinc/80/86/09/432808609.db2.gz IGPFRJUBZQSCNA-KRWDZBQOSA-N 1 1 322.405 3.119 20 5 DGBDMO CC(C)C[N@H+]1CC[C@@H](CNc2ncc([N+](=O)[O-])cc2Cl)C1 ZINC000268269203 432860021 /nfs/dbraw/zinc/86/00/21/432860021.db2.gz TZDHLWKSRQWUJW-NSHDSACASA-N 1 1 312.801 3.033 20 5 DGBDMO Cc1c(NC(=O)CC[N@@H+]2CC[C@@H](C)[C@@H](C)C2)cccc1[N+](=O)[O-] ZINC000245917691 432870150 /nfs/dbraw/zinc/87/01/50/432870150.db2.gz NKFANDNQQBTCIX-OLZOCXBDSA-N 1 1 319.405 3.210 20 5 DGBDMO CC(C)c1ccc(CN[C@@H]2CC[N@@H+](C)[C@@H](C)C2)cc1[N+](=O)[O-] ZINC000330680309 432925253 /nfs/dbraw/zinc/92/52/53/432925253.db2.gz YKDGLYRCUKRESL-DZGCQCFKSA-N 1 1 305.422 3.291 20 5 DGBDMO CC(C)c1ccc(C[NH2+][C@@H]2CCN(C)[C@@H](C)C2)cc1[N+](=O)[O-] ZINC000330680309 432925256 /nfs/dbraw/zinc/92/52/56/432925256.db2.gz YKDGLYRCUKRESL-DZGCQCFKSA-N 1 1 305.422 3.291 20 5 DGBDMO C[C@@H]1C[C@H](c2ccccc2)[C@H](C)[N@H+]1CCn1ccc([N+](=O)[O-])n1 ZINC000296912054 432938662 /nfs/dbraw/zinc/93/86/62/432938662.db2.gz WIWKIBLGAMDRLF-YCPHGPKFSA-N 1 1 314.389 3.058 20 5 DGBDMO COC(=O)c1coc([C@H](C)[NH2+][C@@H](C)c2ccc([N+](=O)[O-])cc2)c1 ZINC000297157431 432966580 /nfs/dbraw/zinc/96/65/80/432966580.db2.gz CQJVNPDDUCGNRG-QWRGUYRKSA-N 1 1 318.329 3.386 20 5 DGBDMO Cc1noc([C@H]2CC[N@H+]([C@H](C)c3cc([N+](=O)[O-])ccc3C)C2)n1 ZINC000332080975 432971103 /nfs/dbraw/zinc/97/11/03/432971103.db2.gz KXUUVWLDBUNEOB-YPMHNXCESA-N 1 1 316.361 3.145 20 5 DGBDMO C[N@H+](Cc1cc([N+](=O)[O-])cc2c1OCOC2)C[C@H]1CC=CCC1 ZINC000332137624 432977692 /nfs/dbraw/zinc/97/76/92/432977692.db2.gz JSIVWNJNVZIQDH-ZDUSSCGKSA-N 1 1 318.373 3.249 20 5 DGBDMO CCOc1cc(C[N@H+]2CCS[C@H](C)CC2)ccc1[N+](=O)[O-] ZINC000332257240 432992098 /nfs/dbraw/zinc/99/20/98/432992098.db2.gz ZQZZBTKKIKOANM-GFCCVEGCSA-N 1 1 310.419 3.321 20 5 DGBDMO CC1(C)CC[N@@H+](Cc2nc3cc([N+](=O)[O-])ccc3o2)CCS1 ZINC000279830862 432993156 /nfs/dbraw/zinc/99/31/56/432993156.db2.gz ZKUKYJQMNWLKFL-UHFFFAOYSA-N 1 1 321.402 3.454 20 5 DGBDMO O=[N+]([O-])c1ccc(C[NH+]2CCC(c3c[nH]cn3)CC2)c(Cl)c1 ZINC000332462498 433008143 /nfs/dbraw/zinc/00/81/43/433008143.db2.gz PSBJDSMMYCCUSD-UHFFFAOYSA-N 1 1 320.780 3.351 20 5 DGBDMO O=[N+]([O-])c1cc(Cl)ccc1CCNc1[nH+]cnc2[nH]ccc21 ZINC000349867122 433025533 /nfs/dbraw/zinc/02/55/33/433025533.db2.gz IPSLGKMQVHKETR-UHFFFAOYSA-N 1 1 317.736 3.126 20 5 DGBDMO CCOc1ccc([N+](=O)[O-])cc1C[N@H+]1CCC[C@](C)(OC)CC1 ZINC000280368757 433042152 /nfs/dbraw/zinc/04/21/52/433042152.db2.gz VBGUHWBLLUBYGG-KRWDZBQOSA-N 1 1 322.405 3.385 20 5 DGBDMO C[C@@H]1CCCC[N@@H+]1Cc1nc(-c2cccc([N+](=O)[O-])c2)no1 ZINC000298289467 433081256 /nfs/dbraw/zinc/08/12/56/433081256.db2.gz RCRNZSHYBAZKSY-LLVKDONJSA-N 1 1 302.334 3.019 20 5 DGBDMO C[C@@H]1CCCC[N@H+]1Cc1nc(-c2cccc([N+](=O)[O-])c2)no1 ZINC000298289467 433081264 /nfs/dbraw/zinc/08/12/64/433081264.db2.gz RCRNZSHYBAZKSY-LLVKDONJSA-N 1 1 302.334 3.019 20 5 DGBDMO CN(CC[N@H+]1CCc2ccc([N+](=O)[O-])cc2C1)c1ccccc1 ZINC000446738083 433095011 /nfs/dbraw/zinc/09/50/11/433095011.db2.gz DPVGUESXUNAZLG-UHFFFAOYSA-N 1 1 311.385 3.089 20 5 DGBDMO CCO[C@H]1C[C@H]([N@@H+](C)Cc2cc([N+](=O)[O-])ccc2OC)C1(C)C ZINC000354458610 433096918 /nfs/dbraw/zinc/09/69/18/433096918.db2.gz QGYWFENSUBZDBX-HOTGVXAUSA-N 1 1 322.405 3.239 20 5 DGBDMO COc1cc(C[N@H+]2CC[C@@H](CC3CC3)C2)c([N+](=O)[O-])cc1OC ZINC000354524256 433125265 /nfs/dbraw/zinc/12/52/65/433125265.db2.gz FPJNWGSHCKOCKT-ZDUSSCGKSA-N 1 1 320.389 3.234 20 5 DGBDMO Cc1c([C@H](C)[NH2+][C@H]2C[C@@H](C)n3ccnc32)cccc1[N+](=O)[O-] ZINC000453370673 433128474 /nfs/dbraw/zinc/12/84/74/433128474.db2.gz VRNNBKBBRANBTD-OSMZGAPFSA-N 1 1 300.362 3.456 20 5 DGBDMO Cc1ccc([C@@H](C)[N@H+]2CCC[C@@]3(CCOC3)C2)cc1[N+](=O)[O-] ZINC000453381071 433135691 /nfs/dbraw/zinc/13/56/91/433135691.db2.gz RDYBBYWOAHQBPQ-RHSMWYFYSA-N 1 1 304.390 3.467 20 5 DGBDMO Cc1ccc(C[N@@H+](C)CCOc2cccc([N+](=O)[O-])c2)s1 ZINC000341577712 433146655 /nfs/dbraw/zinc/14/66/55/433146655.db2.gz SGMHTWDXBFPRQA-UHFFFAOYSA-N 1 1 306.387 3.476 20 5 DGBDMO C[C@H](C[NH+]1CCCCC1)N[C@@H]1CCCc2ccc([N+](=O)[O-])cc21 ZINC000447529748 433212236 /nfs/dbraw/zinc/21/22/36/433212236.db2.gz MLPCUTBJPWVJEG-RDTXWAMCSA-N 1 1 317.433 3.436 20 5 DGBDMO C[C@H]1CCC[N@H+](CCN[C@@H]2CCCc3ccc([N+](=O)[O-])cc32)C1 ZINC000447550285 433221148 /nfs/dbraw/zinc/22/11/48/433221148.db2.gz NAKPTNGDLQGMHO-KBXCAEBGSA-N 1 1 317.433 3.294 20 5 DGBDMO C[C@H]1CCC[N@@H+](CCN[C@@H]2CCCc3ccc([N+](=O)[O-])cc32)C1 ZINC000447550285 433221156 /nfs/dbraw/zinc/22/11/56/433221156.db2.gz NAKPTNGDLQGMHO-KBXCAEBGSA-N 1 1 317.433 3.294 20 5 DGBDMO CCC[N@@H+](CC)CCN[C@@H]1CCCc2ccc([N+](=O)[O-])cc21 ZINC000447563610 433225878 /nfs/dbraw/zinc/22/58/78/433225878.db2.gz RBOLJTSFSBUXNA-QGZVFWFLSA-N 1 1 305.422 3.294 20 5 DGBDMO CCCN(CC)CC[NH2+][C@@H]1CCCc2ccc([N+](=O)[O-])cc21 ZINC000447563610 433225889 /nfs/dbraw/zinc/22/58/89/433225889.db2.gz RBOLJTSFSBUXNA-QGZVFWFLSA-N 1 1 305.422 3.294 20 5 DGBDMO CCC[N@@H+](CC)CCN[C@H]1CCCc2ccc([N+](=O)[O-])cc21 ZINC000447563609 433226941 /nfs/dbraw/zinc/22/69/41/433226941.db2.gz RBOLJTSFSBUXNA-KRWDZBQOSA-N 1 1 305.422 3.294 20 5 DGBDMO CCCN(CC)CC[NH2+][C@H]1CCCc2ccc([N+](=O)[O-])cc21 ZINC000447563609 433226952 /nfs/dbraw/zinc/22/69/52/433226952.db2.gz RBOLJTSFSBUXNA-KRWDZBQOSA-N 1 1 305.422 3.294 20 5 DGBDMO O=[N+]([O-])c1cccc(C[N@H+]2CC[C@H](n3ncc4ccccc43)C2)c1 ZINC000374733661 433269318 /nfs/dbraw/zinc/26/93/18/433269318.db2.gz GTCNUCXDVSJEPM-KRWDZBQOSA-N 1 1 322.368 3.392 20 5 DGBDMO CC[N@H+]1C[C@@H](C)N(c2ccc([N+](=O)[O-])c3ncccc23)C[C@@H]1C ZINC000413216669 433265419 /nfs/dbraw/zinc/26/54/19/433265419.db2.gz UNGUURAPBANKLH-QWHCGFSZSA-N 1 1 314.389 3.062 20 5 DGBDMO Cn1cnc([N+](=O)[O-])c1C[NH2+]C(C)(C)c1cccc(Cl)c1 ZINC000341844902 433311440 /nfs/dbraw/zinc/31/14/40/433311440.db2.gz GKWMUCCMHXGBNW-UHFFFAOYSA-N 1 1 308.769 3.007 20 5 DGBDMO C[N@@H+](Cc1cc([N+](=O)[O-])ccc1C(F)(F)F)[C@@H]1CCCOC1 ZINC000339190686 433428112 /nfs/dbraw/zinc/42/81/12/433428112.db2.gz YPWOIOYHNFIBQD-GFCCVEGCSA-N 1 1 318.295 3.224 20 5 DGBDMO CC(C)[N@@H+](CCn1ccc([N+](=O)[O-])n1)[C@H](C)c1ccsc1 ZINC000421012818 433387564 /nfs/dbraw/zinc/38/75/64/433387564.db2.gz QPBVCJKLXLDFOA-GFCCVEGCSA-N 1 1 308.407 3.324 20 5 DGBDMO C[C@@H]1[C@@H](CO)CC[N@H+]1Cc1ccc(-c2cccc([N+](=O)[O-])c2)o1 ZINC000425988660 433396543 /nfs/dbraw/zinc/39/65/43/433396543.db2.gz ORJATKFXVZPLGF-TZMCWYRMSA-N 1 1 316.357 3.058 20 5 DGBDMO O=[N+]([O-])c1ccc(C[NH2+]Cc2conc2Cc2ccccc2)cc1 ZINC000339186504 433424156 /nfs/dbraw/zinc/42/41/56/433424156.db2.gz VIZVZGHLEYWRBT-UHFFFAOYSA-N 1 1 323.352 3.463 20 5 DGBDMO C[C@H]1CCC[N@@H+](CCNc2ccc3cc([N+](=O)[O-])ccc3n2)C1 ZINC000301125043 433424422 /nfs/dbraw/zinc/42/44/22/433424422.db2.gz ZQRWWGRFBJYBEM-ZDUSSCGKSA-N 1 1 314.389 3.287 20 5 DGBDMO CC[N@@H+](CCC1CC1)[C@H](C)C(=O)Nc1ccccc1[N+](=O)[O-] ZINC000355053925 433439539 /nfs/dbraw/zinc/43/95/39/433439539.db2.gz BPFPXBAYMXXYOJ-GFCCVEGCSA-N 1 1 305.378 3.044 20 5 DGBDMO Cc1c(C[N@H+](C)CC2(O)CCCCCC2)cccc1[N+](=O)[O-] ZINC000426216855 433440760 /nfs/dbraw/zinc/44/07/60/433440760.db2.gz VMAAGZOYULMBLK-UHFFFAOYSA-N 1 1 306.406 3.420 20 5 DGBDMO C[C@H]([NH2+][C@@H]1CC(C)(C)c2ccc([N+](=O)[O-])cc21)c1ccn(C)n1 ZINC000414182451 433446902 /nfs/dbraw/zinc/44/69/02/433446902.db2.gz NGFBJGDHZIPDKU-MEDUHNTESA-N 1 1 314.389 3.402 20 5 DGBDMO Cc1ccnc(NC[C@@H](C)[N@@H+](C)Cc2ccccc2)c1[N+](=O)[O-] ZINC000301282528 433484602 /nfs/dbraw/zinc/48/46/02/433484602.db2.gz KNTAGWQTDXJYMK-CQSZACIVSA-N 1 1 314.389 3.231 20 5 DGBDMO C[N@H+](Cc1cc([N+](=O)[O-])ccc1OC(F)F)[C@H]1CC1(C)C ZINC000426570690 433530231 /nfs/dbraw/zinc/53/02/31/433530231.db2.gz NXMSBNVMNYGAJB-LBPRGKRZSA-N 1 1 300.305 3.427 20 5 DGBDMO C[N@@H+](Cc1cc([N+](=O)[O-])ccc1OC(F)F)[C@H]1CC1(C)C ZINC000426570690 433530240 /nfs/dbraw/zinc/53/02/40/433530240.db2.gz NXMSBNVMNYGAJB-LBPRGKRZSA-N 1 1 300.305 3.427 20 5 DGBDMO CC[C@H]1CCCC[N@H+]1CCNc1ccc([N+](=O)[O-])c(C(C)=O)c1 ZINC000342130314 433486556 /nfs/dbraw/zinc/48/65/56/433486556.db2.gz NXJRQXYOGUTEGW-HNNXBMFYSA-N 1 1 319.405 3.474 20 5 DGBDMO Cc1ccnc(NCCCC[N@@H+]2CCC[C@@H](C)C2)c1[N+](=O)[O-] ZINC000301300298 433499079 /nfs/dbraw/zinc/49/90/79/433499079.db2.gz QQSHFZJUGNZEQY-CYBMUJFWSA-N 1 1 306.410 3.222 20 5 DGBDMO O=[N+]([O-])c1cccc(-c2noc(C[N@H+]3CC[C@H]4CCC[C@@H]43)n2)c1 ZINC000426466664 433506568 /nfs/dbraw/zinc/50/65/68/433506568.db2.gz GVLNCMBZGJLAIZ-RISCZKNCSA-N 1 1 314.345 3.019 20 5 DGBDMO COCC[N@@H+](CCOc1ccccc1[N+](=O)[O-])[C@@H]1CC[C@@H](C)C1 ZINC000362158943 433555449 /nfs/dbraw/zinc/55/54/49/433555449.db2.gz AZAUOMFQTGZQJM-HUUCEWRRSA-N 1 1 322.405 3.111 20 5 DGBDMO Cc1cc(NCC(C)(C)[N@H+]2CCC[C@@H](C)C2)ncc1[N+](=O)[O-] ZINC000301450654 433561823 /nfs/dbraw/zinc/56/18/23/433561823.db2.gz TZVCCSOQYRORBT-GFCCVEGCSA-N 1 1 306.410 3.221 20 5 DGBDMO CN(CC[N@@H+](C)C1CC1)c1ccc([N+](=O)[O-])c(C(F)(F)F)c1 ZINC000351544895 433566662 /nfs/dbraw/zinc/56/66/62/433566662.db2.gz OHQAPJJNHFWWCP-UHFFFAOYSA-N 1 1 317.311 3.144 20 5 DGBDMO CSC[C@@H]1CCC[N@@H+](CCOc2ccc([N+](=O)[O-])cc2)C1 ZINC000292504654 433569803 /nfs/dbraw/zinc/56/98/03/433569803.db2.gz UXMZSHQCBPRZEF-CYBMUJFWSA-N 1 1 310.419 3.049 20 5 DGBDMO CC(C)CN(C(=O)C[NH2+][C@@H](C)c1ccccc1[N+](=O)[O-])C(C)C ZINC000342285258 433589094 /nfs/dbraw/zinc/58/90/94/433589094.db2.gz TZFVUGBTSFOILG-AWEZNQCLSA-N 1 1 321.421 3.138 20 5 DGBDMO CC[C@H]1CC[C@@H](C)[N@H+]1CCC(=O)Nc1ccccc1[N+](=O)[O-] ZINC000283151211 433679141 /nfs/dbraw/zinc/67/91/41/433679141.db2.gz CJKJPZQGUNRCOX-OLZOCXBDSA-N 1 1 305.378 3.186 20 5 DGBDMO CC(C)[C@@H]1[N@@H+](Cc2ccccc2[N+](=O)[O-])CC12CCOCC2 ZINC000414523381 433686497 /nfs/dbraw/zinc/68/64/97/433686497.db2.gz GODRGBIPUYUBCJ-INIZCTEOSA-N 1 1 304.390 3.232 20 5 DGBDMO Cc1cc([N+](=O)[O-])ccc1N1CCC[C@@H](Cc2[nH+]ccn2C)C1 ZINC000301705335 433688496 /nfs/dbraw/zinc/68/84/96/433688496.db2.gz IBLNSVNOEKAGOA-AWEZNQCLSA-N 1 1 314.389 3.096 20 5 DGBDMO C[C@H]1C[C@H](c2ccccc2)CC[N@H+]1CCn1cc([N+](=O)[O-])cn1 ZINC000366882760 293000068 /nfs/dbraw/zinc/00/00/68/293000068.db2.gz MCLJOORHKLECGY-GOEBONIOSA-N 1 1 314.389 3.059 20 5 DGBDMO Cc1ccccc1C1CC[NH+](Cc2c([N+](=O)[O-])ncn2C)CC1 ZINC000371060555 293198120 /nfs/dbraw/zinc/19/81/20/293198120.db2.gz AJXYZVFNZFRQTP-UHFFFAOYSA-N 1 1 314.389 3.016 20 5 DGBDMO CSCC[C@H](C)[N@H+](C)Cc1c(F)cc([N+](=O)[O-])cc1F ZINC000351882457 433771674 /nfs/dbraw/zinc/77/16/74/433771674.db2.gz QAAFGMPIJJPVPJ-VIFPVBQESA-N 1 1 304.362 3.446 20 5 DGBDMO CSCC[C@H](C)[N@@H+](C)Cc1c(F)cc([N+](=O)[O-])cc1F ZINC000351882457 433771683 /nfs/dbraw/zinc/77/16/83/433771683.db2.gz QAAFGMPIJJPVPJ-VIFPVBQESA-N 1 1 304.362 3.446 20 5 DGBDMO CCCC[N@@H+](C)CC1CCN(c2ccc(N)cc2[N+](=O)[O-])CC1 ZINC000283638677 433754204 /nfs/dbraw/zinc/75/42/04/433754204.db2.gz UMRNYYRYAJAZEM-UHFFFAOYSA-N 1 1 320.437 3.125 20 5 DGBDMO Cc1ccc(C[N@H+]2CC3(CCOCC3)[C@@H]2C2CC2)cc1[N+](=O)[O-] ZINC000293516895 433767690 /nfs/dbraw/zinc/76/76/90/433767690.db2.gz ARMPJLGTVKHFKL-KRWDZBQOSA-N 1 1 316.401 3.294 20 5 DGBDMO CC(C)C[N@H+]1CC[C@@H](CNc2c(F)cc([N+](=O)[O-])cc2F)C1 ZINC000301790105 433723804 /nfs/dbraw/zinc/72/38/04/433723804.db2.gz NKTVWIOAYULWFS-NSHDSACASA-N 1 1 313.348 3.263 20 5 DGBDMO O=[N+]([O-])c1cccc(F)c1C[N@H+](CCO)CC1CCCCC1 ZINC000362596871 433776706 /nfs/dbraw/zinc/77/67/06/433776706.db2.gz RLSGNOAHDUDINS-UHFFFAOYSA-N 1 1 310.369 3.109 20 5 DGBDMO O=[N+]([O-])c1cccc(F)c1C[N@@H+](CCO)CC1CCCCC1 ZINC000362596871 433776714 /nfs/dbraw/zinc/77/67/14/433776714.db2.gz RLSGNOAHDUDINS-UHFFFAOYSA-N 1 1 310.369 3.109 20 5 DGBDMO CCO[C@@H]1C[C@H]([N@@H+](C)Cc2ccc([N+](=O)[O-])cc2OC)C1(C)C ZINC000430228611 433788574 /nfs/dbraw/zinc/78/85/74/433788574.db2.gz SNAYPAQKXWJHRP-JKSUJKDBSA-N 1 1 322.405 3.239 20 5 DGBDMO COc1cc([N+](=O)[O-])ccc1C[N@H+]1CCS[C@H]2CCCC[C@H]21 ZINC000430204624 433790402 /nfs/dbraw/zinc/79/04/02/433790402.db2.gz RWKHAHVDPAJZMP-ZBFHGGJFSA-N 1 1 322.430 3.463 20 5 DGBDMO CCOc1ccc([N+](=O)[O-])cc1C[N@@H+]1CCCO[C@H](C(C)C)C1 ZINC000339819075 433802016 /nfs/dbraw/zinc/80/20/16/433802016.db2.gz AHFLQYGBXCFDDV-KRWDZBQOSA-N 1 1 322.405 3.240 20 5 DGBDMO CCOc1ccc([N+](=O)[O-])cc1C[N@H+]1CCCO[C@H](C(C)C)C1 ZINC000339819075 433802022 /nfs/dbraw/zinc/80/20/22/433802022.db2.gz AHFLQYGBXCFDDV-KRWDZBQOSA-N 1 1 322.405 3.240 20 5 DGBDMO C[C@@H](C1CCC1)[N@@H+](C)Cc1nc(-c2ccc([N+](=O)[O-])cc2)no1 ZINC000357024385 433828438 /nfs/dbraw/zinc/82/84/38/433828438.db2.gz MXIRUUCCHNVLCH-NSHDSACASA-N 1 1 316.361 3.265 20 5 DGBDMO C[NH+](C)[C@H](CN[C@@H]1CC(C)(C)c2ccc([N+](=O)[O-])cc21)C1CC1 ZINC000433160612 433844015 /nfs/dbraw/zinc/84/40/15/433844015.db2.gz WAZJJIJEXFBMQD-IAGOWNOFSA-N 1 1 317.433 3.247 20 5 DGBDMO C[NH+](C)C(C)(C)CN[C@H]1CC(C)(C)c2ccc([N+](=O)[O-])cc21 ZINC000433148552 433844356 /nfs/dbraw/zinc/84/43/56/433844356.db2.gz GUZOBTNDTRABNT-HNNXBMFYSA-N 1 1 305.422 3.247 20 5 DGBDMO CC[N@@H+](Cc1ccc(-c2cccc([N+](=O)[O-])c2)o1)[C@@H](C)CO ZINC000293748049 433855927 /nfs/dbraw/zinc/85/59/27/433855927.db2.gz WNDGIPKQAOWKNW-LBPRGKRZSA-N 1 1 304.346 3.058 20 5 DGBDMO Cc1cc([N+](=O)[O-])ccc1CNc1cc[nH+]cc1Br ZINC000362809222 433869512 /nfs/dbraw/zinc/86/95/12/433869512.db2.gz PPXIGRWHBVMFHS-UHFFFAOYSA-N 1 1 322.162 3.095 20 5 DGBDMO O=[N+]([O-])c1ccc(-c2noc(C[N@H+]3CCC[C@@H]3C3CC3)n2)cc1 ZINC000377546763 433913007 /nfs/dbraw/zinc/91/30/07/433913007.db2.gz VJXLLKLUQXSSRW-CQSZACIVSA-N 1 1 314.345 3.019 20 5 DGBDMO CCC(=O)c1ccc(NCC[N@H+]2CC=C(C)CC2)c([N+](=O)[O-])c1 ZINC000339977022 433880607 /nfs/dbraw/zinc/88/06/07/433880607.db2.gz QXQLFALVUVUTJR-UHFFFAOYSA-N 1 1 317.389 3.251 20 5 DGBDMO CCC(=O)c1ccc(NCC[N@@H+]2CC=C(C)CC2)c([N+](=O)[O-])c1 ZINC000339977022 433880611 /nfs/dbraw/zinc/88/06/11/433880611.db2.gz QXQLFALVUVUTJR-UHFFFAOYSA-N 1 1 317.389 3.251 20 5 DGBDMO O=[N+]([O-])c1ccc(C[N@H+]2CCC[C@H]2[C@H]2CCCO2)c(Cl)c1 ZINC000284335419 433886988 /nfs/dbraw/zinc/88/69/88/433886988.db2.gz BVIPFAMGFDLAQO-LSDHHAIUSA-N 1 1 310.781 3.392 20 5 DGBDMO C[C@@H](C[NH3+])CNCc1ccc(-c2ccc([N+](=O)[O-])cc2Cl)o1 ZINC000414869632 433894877 /nfs/dbraw/zinc/89/48/77/433894877.db2.gz BADROIBFXDTZNN-JTQLQIEISA-N 1 1 323.780 3.193 20 5 DGBDMO CC(C)[C@]1(CO)CC[N@@H+](Cc2cc([N+](=O)[O-])ccc2Cl)C1 ZINC000377652999 433944982 /nfs/dbraw/zinc/94/49/82/433944982.db2.gz LUBAZGUXQWDLRQ-OAHLLOKOSA-N 1 1 312.797 3.089 20 5 DGBDMO C[N@@H+](CCCOCC(F)(F)F)CCc1ccccc1[N+](=O)[O-] ZINC000285453853 433951177 /nfs/dbraw/zinc/95/11/77/433951177.db2.gz YTWWOHWVIMDKBC-UHFFFAOYSA-N 1 1 320.311 3.038 20 5 DGBDMO COc1ccc([N+](=O)[O-])cc1C[NH2+]C(C)(C)c1c(C)noc1C ZINC000285797920 434070486 /nfs/dbraw/zinc/07/04/86/434070486.db2.gz VCTQOATXYJBVFI-UHFFFAOYSA-N 1 1 319.361 3.233 20 5 DGBDMO CC[C@@H]1CC[C@@H](C)[N@H+]1CCC(=O)Nc1ccc([N+](=O)[O-])cc1C ZINC000357552077 434075276 /nfs/dbraw/zinc/07/52/76/434075276.db2.gz JZYWHUZWROYFPM-ZIAGYGMSSA-N 1 1 319.405 3.495 20 5 DGBDMO C[C@@H]([NH2+]CCCCc1ccc([N+](=O)[O-])cc1)[C@@H]1CCCCN1 ZINC000422918010 434105697 /nfs/dbraw/zinc/10/56/97/434105697.db2.gz HCNOSKFDVZHYGN-PBHICJAKSA-N 1 1 305.422 3.038 20 5 DGBDMO COC(=O)CC[N@@H+](Cc1ccc(C(C)C)c([N+](=O)[O-])c1)C(C)C ZINC000353482486 434165524 /nfs/dbraw/zinc/16/55/24/434165524.db2.gz MQMANYMYJSIZHX-UHFFFAOYSA-N 1 1 322.405 3.492 20 5 DGBDMO CCC[N@@H+](CC)C[C@@H](C)Nc1ncc(Cl)cc1[N+](=O)[O-] ZINC000357778518 434171360 /nfs/dbraw/zinc/17/13/60/434171360.db2.gz CUOGDSJBWRXESP-SNVBAGLBSA-N 1 1 300.790 3.176 20 5 DGBDMO C[C@@H]1[C@H](Nc2nccc3c2cccc3[N+](=O)[O-])CCC[N@H+]1C ZINC000450442725 434183379 /nfs/dbraw/zinc/18/33/79/434183379.db2.gz TYYSXBGPMXKPOH-BXUZGUMPSA-N 1 1 300.362 3.038 20 5 DGBDMO CC(C)c1ccc(CN[C@H]2CC[N@H+]3CCC[C@@H]3C2)cc1[N+](=O)[O-] ZINC000363924820 434188066 /nfs/dbraw/zinc/18/80/66/434188066.db2.gz SVOOSLGBIUJELK-JKSUJKDBSA-N 1 1 317.433 3.435 20 5 DGBDMO C[C@H]1CC[N@@H+](Cc2c([N+](=O)[O-])ncn2C)CC12CCCCC2 ZINC000363951388 434192610 /nfs/dbraw/zinc/19/26/10/434192610.db2.gz WPXBPGIUJALEGI-ZDUSSCGKSA-N 1 1 306.410 3.121 20 5 DGBDMO COC[C@H]1CCCC[N@@H+](Cc2cc([N+](=O)[O-])ccc2Cl)C1 ZINC000364146766 434245440 /nfs/dbraw/zinc/24/54/40/434245440.db2.gz GJEUGPHCPYBGPO-LBPRGKRZSA-N 1 1 312.797 3.497 20 5 DGBDMO CCOc1ccc([C@H](C)N[C@@H](C)C[N@@H+](C)C(C)C)cc1[N+](=O)[O-] ZINC000353579890 434248253 /nfs/dbraw/zinc/24/82/53/434248253.db2.gz VYGJJUZZSMQMAT-KBPBESRZSA-N 1 1 323.437 3.373 20 5 DGBDMO CCOc1ccc([C@H](C)[NH2+][C@@H](C)CN(C)C(C)C)cc1[N+](=O)[O-] ZINC000353579890 434248260 /nfs/dbraw/zinc/24/82/60/434248260.db2.gz VYGJJUZZSMQMAT-KBPBESRZSA-N 1 1 323.437 3.373 20 5 DGBDMO Cc1cc(N[C@@H]2CC[N@H+](C)[C@H](C)C2)c2cc([N+](=O)[O-])ccc2n1 ZINC000322737226 434263422 /nfs/dbraw/zinc/26/34/22/434263422.db2.gz XKBMCBZBYZBBSM-CHWSQXEVSA-N 1 1 314.389 3.346 20 5 DGBDMO Cc1cc(N[C@@H]2CC[N@@H+](C)[C@H](C)C2)c2cc([N+](=O)[O-])ccc2n1 ZINC000322737226 434263431 /nfs/dbraw/zinc/26/34/31/434263431.db2.gz XKBMCBZBYZBBSM-CHWSQXEVSA-N 1 1 314.389 3.346 20 5 DGBDMO O=[N+]([O-])c1ccc(OCC[N@H+]2CCS[C@H]3CCCC[C@@H]32)cc1 ZINC000437544606 434288293 /nfs/dbraw/zinc/28/82/93/434288293.db2.gz IJRCZDGTAGJMCY-HOTGVXAUSA-N 1 1 322.430 3.334 20 5 DGBDMO Cc1c([C@@H](C)[NH2+][C@@H](CN)C2CCCCC2)cccc1[N+](=O)[O-] ZINC000423261114 434321054 /nfs/dbraw/zinc/32/10/54/434321054.db2.gz JBRLDCMBIMZVMB-CJNGLKHVSA-N 1 1 305.422 3.461 20 5 DGBDMO CC(C)C[C@H](CN)[NH2+][C@H]1CC(C)(C)c2ccc([N+](=O)[O-])cc21 ZINC000423272557 434330785 /nfs/dbraw/zinc/33/07/85/434330785.db2.gz ZDSCLTWEQJVAER-WBMJQRKESA-N 1 1 305.422 3.280 20 5 DGBDMO CCc1ccc([C@@H](NCCCC[NH3+])c2ccc([N+](=O)[O-])cc2)o1 ZINC000423339870 434368877 /nfs/dbraw/zinc/36/88/77/434368877.db2.gz XBIDOJLAGDBBAL-KRWDZBQOSA-N 1 1 317.389 3.168 20 5 DGBDMO COc1ccc([N+](=O)[O-])cc1C[N@H+]1CC[C@H]1Cc1ccccc1 ZINC000437829550 434348876 /nfs/dbraw/zinc/34/88/76/434348876.db2.gz QIBXHDOBGHGMQV-INIZCTEOSA-N 1 1 312.369 3.420 20 5 DGBDMO C[NH+](C)C(C)(C)CN[C@H]1CCCCc2ccc([N+](=O)[O-])cc21 ZINC000417300002 434352231 /nfs/dbraw/zinc/35/22/31/434352231.db2.gz OAMWIBWXJOJGEU-INIZCTEOSA-N 1 1 305.422 3.292 20 5 DGBDMO C[C@@H]([NH2+][C@H](CO)c1cccc(F)c1)c1cccc([N+](=O)[O-])c1 ZINC000358157532 434356628 /nfs/dbraw/zinc/35/66/28/434356628.db2.gz MJJLNKVTUFRJTA-BDJLRTHQSA-N 1 1 304.321 3.118 20 5 DGBDMO CCC[C@H](NC[C@]1(C)CCC[NH2+]C1)c1cccc([N+](=O)[O-])c1 ZINC000423321530 434359714 /nfs/dbraw/zinc/35/97/14/434359714.db2.gz GIEZEOCQKDOGLW-DLBZAZTESA-N 1 1 305.422 3.415 20 5 DGBDMO C[N@@H+](CCc1ccccc1[N+](=O)[O-])Cc1ccc2c[nH]nc2c1 ZINC000348676813 434439533 /nfs/dbraw/zinc/43/95/33/434439533.db2.gz UFKUOHOGTXXTNS-UHFFFAOYSA-N 1 1 310.357 3.146 20 5 DGBDMO CC[N@H+](Cc1ccc(-c2ccccc2[N+](=O)[O-])o1)C[C@H](C)O ZINC000348717849 434462946 /nfs/dbraw/zinc/46/29/46/434462946.db2.gz VYIAJFCNXREGJR-LBPRGKRZSA-N 1 1 304.346 3.058 20 5 DGBDMO C[N@@H+](Cc1ccc(-c2ccc([N+](=O)[O-])cc2)o1)[C@H]1CCCOC1 ZINC000348708917 434456878 /nfs/dbraw/zinc/45/68/78/434456878.db2.gz ALDKPRVETCNAPT-HNNXBMFYSA-N 1 1 316.357 3.466 20 5 DGBDMO CO[C@H]1CC[N@@H+](Cc2ccc(-c3ccccc3[N+](=O)[O-])o2)C1 ZINC000353901689 434515420 /nfs/dbraw/zinc/51/54/20/434515420.db2.gz RXAKLECOQOMMPM-LBPRGKRZSA-N 1 1 302.330 3.076 20 5 DGBDMO O=[N+]([O-])c1ccc(Cl)c(C[N@H+]2CC[C@@H](C3CCOCC3)C2)c1 ZINC000366853418 434522113 /nfs/dbraw/zinc/52/21/13/434522113.db2.gz PETFFJOVJWVOIR-CYBMUJFWSA-N 1 1 324.808 3.497 20 5 DGBDMO COc1cc(C)nc(C[NH2+][C@@H](C)c2ccc([N+](=O)[O-])cc2)c1 ZINC000296140436 434523439 /nfs/dbraw/zinc/52/34/39/434523439.db2.gz VDMPXPSWQQBNAT-LBPRGKRZSA-N 1 1 301.346 3.158 20 5 DGBDMO Cc1c(C[N@H+]2CCC[C@@H]2C2CCOCC2)cccc1[N+](=O)[O-] ZINC000348946122 434560838 /nfs/dbraw/zinc/56/08/38/434560838.db2.gz DZLWLDDMCWVVLT-QGZVFWFLSA-N 1 1 304.390 3.294 20 5 DGBDMO CCO[C@@H]1C[C@@H]([N@@H+](C)CCOc2cccc([N+](=O)[O-])c2)C1(C)C ZINC000525409139 295014534 /nfs/dbraw/zinc/01/45/34/295014534.db2.gz PJDZVFIBZOVMMV-HZPDHXFCSA-N 1 1 322.405 3.109 20 5 DGBDMO Cc1cc([N+](=O)[O-])ccc1-c1noc(C[NH+]2CCC(C)CC2)n1 ZINC000525961673 295045291 /nfs/dbraw/zinc/04/52/91/295045291.db2.gz IGWVTGIKNPAFQZ-UHFFFAOYSA-N 1 1 316.361 3.185 20 5 DGBDMO CCn1cc(C[N@@H+](C)C/C(C)=C/c2cccc([N+](=O)[O-])c2)cn1 ZINC000527304108 295090443 /nfs/dbraw/zinc/09/04/43/295090443.db2.gz FABAHXMHBBWBIX-RIYZIHGNSA-N 1 1 314.389 3.347 20 5 DGBDMO C[C@@H](C(=O)Nc1ccccc1[N+](=O)[O-])[N@@H+]1CC[C@@H](C)C(C)(C)C1 ZINC000354014993 434578423 /nfs/dbraw/zinc/57/84/23/434578423.db2.gz POKJMLBMUPMQTP-OLZOCXBDSA-N 1 1 319.405 3.290 20 5 DGBDMO C[C@@H](C(=O)Nc1ccccc1[N+](=O)[O-])[N@H+]1CC[C@@H](C)C(C)(C)C1 ZINC000354014993 434578426 /nfs/dbraw/zinc/57/84/26/434578426.db2.gz POKJMLBMUPMQTP-OLZOCXBDSA-N 1 1 319.405 3.290 20 5 DGBDMO O=[N+]([O-])c1ccc(C[NH+]2CCC(OC3CCC3)CC2)c(F)c1 ZINC000418089688 434584319 /nfs/dbraw/zinc/58/43/19/434584319.db2.gz JNIQHNJYKPOPMC-UHFFFAOYSA-N 1 1 308.353 3.267 20 5 DGBDMO COc1ccc(OCC[N@@H+](C)C2CC(C)(C)C2)c([N+](=O)[O-])c1 ZINC000459740909 434691412 /nfs/dbraw/zinc/69/14/12/434691412.db2.gz MYLIRDFYDWYHOZ-UHFFFAOYSA-N 1 1 308.378 3.103 20 5 DGBDMO Cc1c(NC(=O)CC[N@H+](C)C2CC(C)(C)C2)cccc1[N+](=O)[O-] ZINC000459746828 434694202 /nfs/dbraw/zinc/69/42/02/434694202.db2.gz VKDUYLPOFJRONA-UHFFFAOYSA-N 1 1 319.405 3.352 20 5 DGBDMO CC[N@H+]1CC[C@@H](N(C)Cc2c(F)cccc2[N+](=O)[O-])C[C@H]1C ZINC000354209179 434672921 /nfs/dbraw/zinc/67/29/21/434672921.db2.gz QKLQGUPHZSMKGD-CHWSQXEVSA-N 1 1 309.385 3.039 20 5 DGBDMO O=[N+]([O-])c1cccc(F)c1C[N@@H+]1CC[C@@H](O)[C@H](C2CCCC2)C1 ZINC000459816668 434727623 /nfs/dbraw/zinc/72/76/23/434727623.db2.gz ZIJIICDSLVYNNZ-SUMWQHHRSA-N 1 1 322.380 3.107 20 5 DGBDMO CC[C@@H]1CCCC[N@H+]1CCC(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000411145109 434729760 /nfs/dbraw/zinc/72/97/60/434729760.db2.gz BIXQQIDULOIWDA-CQSZACIVSA-N 1 1 305.378 3.188 20 5 DGBDMO COCCCC[N@@H+](C)Cc1cc([N+](=O)[O-])ccc1OC(C)C ZINC000419383003 434782240 /nfs/dbraw/zinc/78/22/40/434782240.db2.gz KHENFFRUFWIOOY-UHFFFAOYSA-N 1 1 310.394 3.240 20 5 DGBDMO Cc1ccc([N+](=O)[O-])cc1NC(=O)C[N@H+]1CCCCC(C)(C)C1 ZINC000446060649 434845929 /nfs/dbraw/zinc/84/59/29/434845929.db2.gz IVHMHJMXISBFCE-UHFFFAOYSA-N 1 1 319.405 3.354 20 5 DGBDMO Cc1cccc([C@H]2CCC[N@@H+]2Cc2c([N+](=O)[O-])ncn2C)c1C ZINC000372704470 434848538 /nfs/dbraw/zinc/84/85/38/434848538.db2.gz RPCMGTMHBMDXGE-OAHLLOKOSA-N 1 1 314.389 3.282 20 5 DGBDMO CC[N@H+]1CC[C@H](N(C)c2cc(C)c([N+](=O)[O-])cc2F)C[C@H]1C ZINC000461947800 434892731 /nfs/dbraw/zinc/89/27/31/434892731.db2.gz KXVRJYRMHXXZGY-OLZOCXBDSA-N 1 1 309.385 3.351 20 5 DGBDMO CC[C@@H]1C[N@H+]2CCC[C@H]2CN1Cc1c(Cl)cccc1[N+](=O)[O-] ZINC000492002016 434898167 /nfs/dbraw/zinc/89/81/67/434898167.db2.gz RIFZHMALXOGCFC-OLZOCXBDSA-N 1 1 323.824 3.307 20 5 DGBDMO O=[N+]([O-])c1cccc(Cl)c1C[N@H+]1CC[C@H]([C@@H]2CCOC2)C1 ZINC000492299379 434955860 /nfs/dbraw/zinc/95/58/60/434955860.db2.gz ZUZPGOHTXPLAGP-NWDGAFQWSA-N 1 1 310.781 3.107 20 5 DGBDMO CCOc1cc(NC[C@@H]2CC[N@@H+](CC(C)C)C2)ccc1[N+](=O)[O-] ZINC000465052437 435018003 /nfs/dbraw/zinc/01/80/03/435018003.db2.gz ZIMWNNPQSPRPGA-AWEZNQCLSA-N 1 1 321.421 3.383 20 5 DGBDMO C[N@@H+](CCOCc1ccccc1)CCc1ccc([N+](=O)[O-])cc1 ZINC000464853872 435005819 /nfs/dbraw/zinc/00/58/19/435005819.db2.gz KFZIWVRJPWTWRI-UHFFFAOYSA-N 1 1 314.385 3.286 20 5 DGBDMO C[N@@H+](CCc1cccc([N+](=O)[O-])c1)Cc1ccc2[nH]cnc2c1 ZINC000559071534 435120281 /nfs/dbraw/zinc/12/02/81/435120281.db2.gz CYDJLYUUSUWPTH-UHFFFAOYSA-N 1 1 310.357 3.146 20 5 DGBDMO C[N@H+](CCc1cccc([N+](=O)[O-])c1)Cc1ccc2nc[nH]c2c1 ZINC000559071534 435120287 /nfs/dbraw/zinc/12/02/87/435120287.db2.gz CYDJLYUUSUWPTH-UHFFFAOYSA-N 1 1 310.357 3.146 20 5 DGBDMO C[N@@H+](CCc1cccc([N+](=O)[O-])c1)Cc1ccc2nc[nH]c2c1 ZINC000559071534 435120291 /nfs/dbraw/zinc/12/02/91/435120291.db2.gz CYDJLYUUSUWPTH-UHFFFAOYSA-N 1 1 310.357 3.146 20 5 DGBDMO CCCC[N@@H+](CCn1cc([N+](=O)[O-])ccc1=O)C1CCCCC1 ZINC000559479606 435133014 /nfs/dbraw/zinc/13/30/14/435133014.db2.gz MJJBZDMKPLHWOK-UHFFFAOYSA-N 1 1 321.421 3.191 20 5 DGBDMO CC(C)[C@H]1C[N@H+](Cc2ccc(Cl)cc2[N+](=O)[O-])CCCO1 ZINC000559497545 435133124 /nfs/dbraw/zinc/13/31/24/435133124.db2.gz NGAFLZIPXAZEEG-OAHLLOKOSA-N 1 1 312.797 3.495 20 5 DGBDMO CC(C)[C@H]1C[N@@H+](Cc2ccc(Cl)cc2[N+](=O)[O-])CCCO1 ZINC000559497545 435133129 /nfs/dbraw/zinc/13/31/29/435133129.db2.gz NGAFLZIPXAZEEG-OAHLLOKOSA-N 1 1 312.797 3.495 20 5 DGBDMO C/C(=C\c1cccc([N+](=O)[O-])c1)C[N@@H+]1C[C@@H](C2CC2)O[C@@H](C)C1 ZINC000475283131 435188271 /nfs/dbraw/zinc/18/82/71/435188271.db2.gz HIICYPKYDDHMDJ-SPRDODIZSA-N 1 1 316.401 3.497 20 5 DGBDMO C/C(=C\c1cccc([N+](=O)[O-])c1)C[N@H+]1C[C@@H](C2CC2)O[C@@H](C)C1 ZINC000475283131 435188274 /nfs/dbraw/zinc/18/82/74/435188274.db2.gz HIICYPKYDDHMDJ-SPRDODIZSA-N 1 1 316.401 3.497 20 5 DGBDMO CC(C)(C)C[N@H+](CCCO)Cc1c(Cl)cccc1[N+](=O)[O-] ZINC000493386429 435161385 /nfs/dbraw/zinc/16/13/85/435161385.db2.gz OHZXQTLQOZYRDA-UHFFFAOYSA-N 1 1 314.813 3.479 20 5 DGBDMO CC(C)(C)C[N@@H+](CCCO)Cc1c(Cl)cccc1[N+](=O)[O-] ZINC000493386429 435161389 /nfs/dbraw/zinc/16/13/89/435161389.db2.gz OHZXQTLQOZYRDA-UHFFFAOYSA-N 1 1 314.813 3.479 20 5 DGBDMO CC[C@@H](C)[C@H]1CCCC[N@H+]1Cc1ccc(C(N)=O)cc1[N+](=O)[O-] ZINC000532584672 435179498 /nfs/dbraw/zinc/17/94/98/435179498.db2.gz RIJGLUCFGAOTFQ-IUODEOHRSA-N 1 1 319.405 3.094 20 5 DGBDMO Cc1cc([N+](=O)[O-])ccc1NC(=O)C[N@H+]1CCCC(C)(C)CC1 ZINC000533301002 435224442 /nfs/dbraw/zinc/22/44/42/435224442.db2.gz AGCYHZGQGHMBDX-UHFFFAOYSA-N 1 1 319.405 3.354 20 5 DGBDMO Cc1c(C[N@@H+]2CCC[C@@]2(CO)CC(C)C)cccc1[N+](=O)[O-] ZINC000475722799 435209648 /nfs/dbraw/zinc/20/96/48/435209648.db2.gz MFEZLIZOVJPRQW-KRWDZBQOSA-N 1 1 306.406 3.276 20 5 DGBDMO CC(C)CC[N@@H+](CCn1cc([N+](=O)[O-])ccc1=O)C1CCCC1 ZINC000534868244 435302647 /nfs/dbraw/zinc/30/26/47/435302647.db2.gz BPPPEKHEVMIVLS-UHFFFAOYSA-N 1 1 321.421 3.047 20 5 DGBDMO CCN(CCC[NH+](C)C)C/C(C)=C/c1cccc([N+](=O)[O-])c1 ZINC000583962100 435261787 /nfs/dbraw/zinc/26/17/87/435261787.db2.gz DRHAZHPGUHWAFE-NTCAYCPXSA-N 1 1 305.422 3.272 20 5 DGBDMO CC[N@H+](CCCN(C)C)C/C(C)=C/c1cccc([N+](=O)[O-])c1 ZINC000583962100 435261803 /nfs/dbraw/zinc/26/18/03/435261803.db2.gz DRHAZHPGUHWAFE-NTCAYCPXSA-N 1 1 305.422 3.272 20 5 DGBDMO CC[N@@H+](CCCN(C)C)C/C(C)=C/c1cccc([N+](=O)[O-])c1 ZINC000583962100 435261810 /nfs/dbraw/zinc/26/18/10/435261810.db2.gz DRHAZHPGUHWAFE-NTCAYCPXSA-N 1 1 305.422 3.272 20 5 DGBDMO CCOC(=O)[C@@H](CC(C)C)[N@H+](C)CCc1ccccc1[N+](=O)[O-] ZINC000511143343 435315096 /nfs/dbraw/zinc/31/50/96/435315096.db2.gz QLFLWYGTAHMLKJ-MRXNPFEDSA-N 1 1 322.405 3.047 20 5 DGBDMO CCOC(=O)[C@@H](CC(C)C)[N@@H+](C)CCc1ccccc1[N+](=O)[O-] ZINC000511143343 435315104 /nfs/dbraw/zinc/31/51/04/435315104.db2.gz QLFLWYGTAHMLKJ-MRXNPFEDSA-N 1 1 322.405 3.047 20 5 DGBDMO CCC(=O)c1ccc(NCC[N@@H+](C)C2CCCC2)c([N+](=O)[O-])c1 ZINC000479991091 435361418 /nfs/dbraw/zinc/36/14/18/435361418.db2.gz NUFBDAUCUNYKAE-UHFFFAOYSA-N 1 1 319.405 3.474 20 5 DGBDMO COc1ccc(C[N@@H+]2CCc3ccc([N+](=O)[O-])cc3C2)cc1C ZINC000536671599 435402283 /nfs/dbraw/zinc/40/22/83/435402283.db2.gz NBVUXBAFJCFEAB-UHFFFAOYSA-N 1 1 312.369 3.470 20 5 DGBDMO COc1ccc(C[N@H+]2CCc3ccc([N+](=O)[O-])cc3C2)cc1C ZINC000536671599 435402288 /nfs/dbraw/zinc/40/22/88/435402288.db2.gz NBVUXBAFJCFEAB-UHFFFAOYSA-N 1 1 312.369 3.470 20 5 DGBDMO CC[C@H]1CC[C@H](C)[N@H+]1CCOc1ccc(OC)cc1[N+](=O)[O-] ZINC000536745149 435409487 /nfs/dbraw/zinc/40/94/87/435409487.db2.gz GXVZNFLBEBDMKU-STQMWFEESA-N 1 1 308.378 3.245 20 5 DGBDMO Cc1c([C@H](C)NCC[NH+]2CCCCCC2)cccc1[N+](=O)[O-] ZINC000480277475 435372817 /nfs/dbraw/zinc/37/28/17/435372817.db2.gz XDXVITGDHCMNDS-HNNXBMFYSA-N 1 1 305.422 3.430 20 5 DGBDMO CC[C@@H]1[C@H](C)CC[N@H+]1CCOc1ccc(OC)cc1[N+](=O)[O-] ZINC000481411851 435426011 /nfs/dbraw/zinc/42/60/11/435426011.db2.gz KWVSBVWBTFLQLI-TZMCWYRMSA-N 1 1 308.378 3.103 20 5 DGBDMO COC1(C[N@@H+](C)CCc2ccccc2[N+](=O)[O-])CCCCC1 ZINC000514757951 435433627 /nfs/dbraw/zinc/43/36/27/435433627.db2.gz FQPJNNSXYMMJRT-UHFFFAOYSA-N 1 1 306.406 3.418 20 5 DGBDMO C[C@@H](C(=O)Nc1cccc([N+](=O)[O-])c1)[N@@H+](C)CC1CCCCC1 ZINC000483600649 435525032 /nfs/dbraw/zinc/52/50/32/435525032.db2.gz KBJMRAQNSKIGSG-ZDUSSCGKSA-N 1 1 319.405 3.434 20 5 DGBDMO O=[N+]([O-])c1ccccc1C[N@H+](C[C@H]1CCCC[C@@H]1O)C1CC1 ZINC000516774550 435551050 /nfs/dbraw/zinc/55/10/50/435551050.db2.gz VPGBGIGXWSXWKE-PBHICJAKSA-N 1 1 304.390 3.110 20 5 DGBDMO CC[NH+]1CC[C@H]([N@H+](C)C/C=C/c2ccccc2[N+](=O)[O-])C[C@H]1C ZINC000539818646 435569647 /nfs/dbraw/zinc/56/96/47/435569647.db2.gz CAVPKYIISJLVPQ-FUZMGVLZSA-N 1 1 317.433 3.413 20 5 DGBDMO CC[NH+]1CC[C@H]([N@@H+](C)C/C=C/c2ccccc2[N+](=O)[O-])C[C@H]1C ZINC000539818646 435569653 /nfs/dbraw/zinc/56/96/53/435569653.db2.gz CAVPKYIISJLVPQ-FUZMGVLZSA-N 1 1 317.433 3.413 20 5 DGBDMO Cc1cc(N[C@@H]2CC[N@@H+](C)[C@H](C)C2)c2cccc([N+](=O)[O-])c2n1 ZINC000540646496 435612932 /nfs/dbraw/zinc/61/29/32/435612932.db2.gz OMKCUWSDZXJYPT-CHWSQXEVSA-N 1 1 314.389 3.346 20 5 DGBDMO CC(C)c1ccc(CNCC[N@H+]2CC[C@H](C)C2)cc1[N+](=O)[O-] ZINC000540802286 435618017 /nfs/dbraw/zinc/61/80/17/435618017.db2.gz RPKILRFLZNWXIB-AWEZNQCLSA-N 1 1 305.422 3.150 20 5 DGBDMO CC(C)c1ccc(C[NH2+]CCN2CC[C@H](C)C2)cc1[N+](=O)[O-] ZINC000540802286 435618021 /nfs/dbraw/zinc/61/80/21/435618021.db2.gz RPKILRFLZNWXIB-AWEZNQCLSA-N 1 1 305.422 3.150 20 5 DGBDMO CC(C)c1ccc(C[N@@H+]2CCC[C@H]([C@H](C)O)C2)cc1[N+](=O)[O-] ZINC000540962186 435629382 /nfs/dbraw/zinc/62/93/82/435629382.db2.gz VBQKGDMOTOIEFZ-ZFWWWQNUSA-N 1 1 306.406 3.311 20 5 DGBDMO COCC[N@@H+](CCc1ccc([N+](=O)[O-])cc1)[C@H]1CCC[C@@H]1C ZINC000488102747 435633138 /nfs/dbraw/zinc/63/31/38/435633138.db2.gz HQCJHURFAGYWCK-YOEHRIQHSA-N 1 1 306.406 3.274 20 5 DGBDMO C[C@@H]1C[C@H]1[N@H+]1CCN(c2ccc(Cl)cc2[N+](=O)[O-])C[C@@H](C)C1 ZINC000488739145 435643896 /nfs/dbraw/zinc/64/38/96/435643896.db2.gz VTXIDXYSQYDORU-LALPHHSUSA-N 1 1 323.824 3.415 20 5 DGBDMO O=[N+]([O-])c1cccc2c1CC[C@@H]2[NH2+]C1CCN(C2CCC2)CC1 ZINC000571415719 435706087 /nfs/dbraw/zinc/70/60/87/435706087.db2.gz BLVOVQVQKAEWMF-KRWDZBQOSA-N 1 1 315.417 3.189 20 5 DGBDMO O=[N+]([O-])c1ccc(C[N@@H+]2CC[C@H](Nc3ccccc3)C2)c(F)c1 ZINC000491236957 435719542 /nfs/dbraw/zinc/71/95/42/435719542.db2.gz AJFKIFBATZVWGV-HNNXBMFYSA-N 1 1 315.348 3.420 20 5 DGBDMO O=[N+]([O-])c1ccc(C[N@H+]2CC[C@H](Nc3ccccc3)C2)c(F)c1 ZINC000491236957 435719547 /nfs/dbraw/zinc/71/95/47/435719547.db2.gz AJFKIFBATZVWGV-HNNXBMFYSA-N 1 1 315.348 3.420 20 5 DGBDMO CC(=O)c1ccc([N+](=O)[O-])cc1N1CCC[N@H+](C(C)(C)C)CC1 ZINC000572913968 435879689 /nfs/dbraw/zinc/87/96/89/435879689.db2.gz YZKNKRWLMGERIP-UHFFFAOYSA-N 1 1 319.405 3.108 20 5 DGBDMO COc1cc(C)nc(C[NH2+]C(C)(C)c2ccccc2[N+](=O)[O-])c1 ZINC000292759179 533698181 /nfs/dbraw/zinc/69/81/81/533698181.db2.gz JGSIXOJGAPYSRJ-UHFFFAOYSA-N 1 1 315.373 3.332 20 5 DGBDMO CC(C)(C)[C@@H]1CC[N@@H+](Cc2cc([N+](=O)[O-])cc3c2OCOC3)C1 ZINC000544193275 314180491 /nfs/dbraw/zinc/18/04/91/314180491.db2.gz HJNXJHVNCXLHIS-CQSZACIVSA-N 1 1 320.389 3.329 20 5 DGBDMO CC[C@H](CSc1ccccc1[N+](=O)[O-])[NH2+]Cc1ncccn1 ZINC000572857163 315823132 /nfs/dbraw/zinc/82/31/32/315823132.db2.gz OSDLACLXJLVJFI-GFCCVEGCSA-N 1 1 318.402 3.045 20 5 DGBDMO CCC[N@@H+](CC)C[C@@H](C)Nc1c2c(ccc1[N+](=O)[O-])NCC2 ZINC000576201853 316104802 /nfs/dbraw/zinc/10/48/02/316104802.db2.gz RIKMOTDTPSRYEO-GFCCVEGCSA-N 1 1 306.410 3.095 20 5 DGBDMO O=[N+]([O-])c1ccc(N[C@@H]2CC[N@H+]([C@@H]3C=CCCCCC3)C2)nc1 ZINC000581501639 324124024 /nfs/dbraw/zinc/12/40/24/324124024.db2.gz FPEFJKCZXOLRQP-HUUCEWRRSA-N 1 1 316.405 3.365 20 5 DGBDMO CSC[C@@H]1CCC[N@H+](Cc2c(F)cc([N+](=O)[O-])cc2F)C1 ZINC000292491900 533733088 /nfs/dbraw/zinc/73/30/88/533733088.db2.gz SZTOADJSFXJGQE-SNVBAGLBSA-N 1 1 316.373 3.448 20 5 DGBDMO CSC[C@@H]1CCC[N@@H+](Cc2c(F)cc([N+](=O)[O-])cc2F)C1 ZINC000292491900 533733097 /nfs/dbraw/zinc/73/30/97/533733097.db2.gz SZTOADJSFXJGQE-SNVBAGLBSA-N 1 1 316.373 3.448 20 5 DGBDMO CSC[C@H]1CCC[N@@H+](CCOc2ccccc2[N+](=O)[O-])C1 ZINC000292459008 533806607 /nfs/dbraw/zinc/80/66/07/533806607.db2.gz QFBJMHBRCJJGQW-ZDUSSCGKSA-N 1 1 310.419 3.049 20 5 DGBDMO [NH3+]CCC[C@@H](NCc1ccc([N+](=O)[O-])cc1F)c1ccccc1 ZINC000415047631 534620584 /nfs/dbraw/zinc/62/05/84/534620584.db2.gz FELSTQRUDNOUNI-QGZVFWFLSA-N 1 1 317.364 3.304 20 5 DGBDMO C[N@@H+](CCn1cc([N+](=O)[O-])cn1)Cc1cccc2ccccc21 ZINC000157707213 523000331 /nfs/dbraw/zinc/00/03/31/523000331.db2.gz AXXGPDUNGCJYQM-UHFFFAOYSA-N 1 1 310.357 3.077 20 5 DGBDMO O=[N+]([O-])c1ccc2c(c1)C[N@H+](CCCC1CCOCC1)CC2 ZINC000332515518 534883717 /nfs/dbraw/zinc/88/37/17/534883717.db2.gz WPGABISGVDEJRP-UHFFFAOYSA-N 1 1 304.390 3.160 20 5 DGBDMO CC(C)[C@H](c1ccc(F)cc1)[N@@H+](C)CCn1ccc([N+](=O)[O-])n1 ZINC000434616522 527750554 /nfs/dbraw/zinc/75/05/54/527750554.db2.gz QHROMTGALVNWEM-MRXNPFEDSA-N 1 1 320.368 3.260 20 5 DGBDMO CCOc1cc(NCC[C@@H]2CCC[N@@H+](C)C2)ccc1[N+](=O)[O-] ZINC000413433745 528327690 /nfs/dbraw/zinc/32/76/90/528327690.db2.gz DVIFMZNJEWABOU-ZDUSSCGKSA-N 1 1 307.394 3.137 20 5 DGBDMO CCC(=O)c1ccc(NCCCC[N@@H+](C)C2CC2)c([N+](=O)[O-])c1 ZINC000413347867 528458062 /nfs/dbraw/zinc/45/80/62/528458062.db2.gz MCQSOTXZVCKGGY-UHFFFAOYSA-N 1 1 319.405 3.474 20 5 DGBDMO CC[NH+]1CCC(Nc2cc(C)nc3ccc([N+](=O)[O-])cc32)CC1 ZINC000302159690 528988610 /nfs/dbraw/zinc/98/86/10/528988610.db2.gz JMIANXPTVXGDII-UHFFFAOYSA-N 1 1 314.389 3.348 20 5 DGBDMO CO[C@@H]1CC[N@@H+](C/C=C\c2ccccc2[N+](=O)[O-])CC1(C)C ZINC000449503995 536679055 /nfs/dbraw/zinc/67/90/55/536679055.db2.gz VILOTEVKXPLQDM-QKIRZYONSA-N 1 1 304.390 3.355 20 5 DGBDMO COc1ccc([N+](=O)[O-])cc1C[NH2+]Cc1ccc(C)cc1OC ZINC000449129629 536955519 /nfs/dbraw/zinc/95/55/19/536955519.db2.gz CZTWRFQEZGKSJC-UHFFFAOYSA-N 1 1 316.357 3.210 20 5 DGBDMO O=[N+]([O-])c1ccc(Cl)c(C[N@@H+]2CCC[C@H](n3ccnc3)C2)c1 ZINC000735492713 574704001 /nfs/dbraw/zinc/70/40/01/574704001.db2.gz SDMYVRZCDIGOTO-AWEZNQCLSA-N 1 1 320.780 3.282 20 5 DGBDMO O=[N+]([O-])c1ccc(Cl)c(C[N@H+]2CCC[C@H](n3ccnc3)C2)c1 ZINC000735492713 574704004 /nfs/dbraw/zinc/70/40/04/574704004.db2.gz SDMYVRZCDIGOTO-AWEZNQCLSA-N 1 1 320.780 3.282 20 5 DGBDMO C[C@@H]1CCC[C@H](C)C[N@@H+]1Cn1ncc2ccc([N+](=O)[O-])cc21 ZINC000742155435 574842153 /nfs/dbraw/zinc/84/21/53/574842153.db2.gz RMVKDBUAEXEADD-QWHCGFSZSA-N 1 1 302.378 3.413 20 5 DGBDMO CCO[C@@H]1C[C@@H]([N@@H+](C)Cc2cc(F)ccc2[N+](=O)[O-])C1(C)C ZINC000740887032 574944891 /nfs/dbraw/zinc/94/48/91/574944891.db2.gz OMUQQLZYYFJLIF-HUUCEWRRSA-N 1 1 310.369 3.369 20 5 DGBDMO CC(C)CC(N)=[NH+]OCc1cc([N+](=O)[O-])ccc1OC(C)C ZINC000729674382 575260799 /nfs/dbraw/zinc/26/07/99/575260799.db2.gz JQLDCMKIZWANDB-UHFFFAOYSA-N 1 1 309.366 3.427 20 5 DGBDMO CC(C)(C)[N@H+]1CCCN(c2c(F)cc([N+](=O)[O-])cc2F)CC1 ZINC000749316084 575643943 /nfs/dbraw/zinc/64/39/43/575643943.db2.gz CUNFNNLKETWAGQ-UHFFFAOYSA-N 1 1 313.348 3.184 20 5 DGBDMO Cc1nn(C[N@H+](C)C2CCC(C)CC2)c2ncc([N+](=O)[O-])cc12 ZINC000749939780 575690674 /nfs/dbraw/zinc/69/06/74/575690674.db2.gz TZJBRGJIMMCWPN-UHFFFAOYSA-N 1 1 317.393 3.116 20 5 DGBDMO C[C@@H]1C[N@@H+](C[C@@H](O)c2cccc([N+](=O)[O-])c2)Cc2ccccc21 ZINC000750037884 575699414 /nfs/dbraw/zinc/69/94/14/575699414.db2.gz SIQFMDRDPJJJNT-FZKQIMNGSA-N 1 1 312.369 3.248 20 5 DGBDMO C[C@H]1CC[N@@H+](Cn2cc(-c3ccc([N+](=O)[O-])cc3)cn2)[C@H]1C ZINC000751939483 575813272 /nfs/dbraw/zinc/81/32/72/575813272.db2.gz FTCVXKQYACLUHG-STQMWFEESA-N 1 1 300.362 3.146 20 5 DGBDMO C[C@@H](CNc1ccc([N+](=O)[O-])cc1[N+](=O)[O-])[N@H+]1CCCC[C@H]1C ZINC000917064686 620654519 /nfs/dbraw/zinc/65/45/19/620654519.db2.gz GLEAXIZQYIZYNQ-NEPJUHHUSA-N 1 1 322.365 3.178 20 5 DGBDMO O=[N+]([O-])c1ccc2oc(=S)n(C[N@@H+]3CC[C@@H]4C[C@@H]4C3)c2c1 ZINC000853575988 620711502 /nfs/dbraw/zinc/71/15/02/620711502.db2.gz BRDIXNOSZHEZOM-NXEZZACHSA-N 1 1 305.359 3.171 20 5 DGBDMO O=[N+]([O-])c1ccc2oc(=S)n(C[N@H+]3CC[C@@H]4C[C@@H]4C3)c2c1 ZINC000853575988 620711504 /nfs/dbraw/zinc/71/15/04/620711504.db2.gz BRDIXNOSZHEZOM-NXEZZACHSA-N 1 1 305.359 3.171 20 5 DGBDMO Cc1nn(C[N@@H+](C)C[C@H]2CCc3ccccc32)c(C)c1[N+](=O)[O-] ZINC000853611303 620715791 /nfs/dbraw/zinc/71/57/91/620715791.db2.gz XYFCKKYRAYMNKI-OAHLLOKOSA-N 1 1 314.389 3.027 20 5 DGBDMO CC(=O)c1cc([N+](=O)[O-])ccc1NC[C@@H]1CCCC[N@H+]1C1CC1 ZINC000804655235 617604719 /nfs/dbraw/zinc/60/47/19/617604719.db2.gz KQLPBQCLDRRWQK-HNNXBMFYSA-N 1 1 317.389 3.226 20 5 DGBDMO C[C@@H](NC(=O)[C@@H](C)[N@@H+]1[C@H](C)CC[C@@H]1C)c1ccc([N+](=O)[O-])cc1 ZINC000928247538 618762059 /nfs/dbraw/zinc/76/20/59/618762059.db2.gz XBCKHMAEKRPPGA-XJFOESAGSA-N 1 1 319.405 3.033 20 5 DGBDMO CCN1CC[C@H]([NH2+]C[C@H](C)c2ccccc2[N+](=O)[O-])[C@@H](C)C1 ZINC000897465718 619130536 /nfs/dbraw/zinc/13/05/36/619130536.db2.gz GZQPHMWGCTZUIR-DZKIICNBSA-N 1 1 305.422 3.018 20 5 DGBDMO CCN1CC[C@H]([NH2+]C[C@@H](C)c2ccccc2[N+](=O)[O-])[C@@H](C)C1 ZINC000897465721 619130569 /nfs/dbraw/zinc/13/05/69/619130569.db2.gz GZQPHMWGCTZUIR-YCPHGPKFSA-N 1 1 305.422 3.018 20 5 DGBDMO O=C(CC[N@H+]1CC[C@@H]1C1CCCC1)Nc1ccccc1[N+](=O)[O-] ZINC000899912649 619383175 /nfs/dbraw/zinc/38/31/75/619383175.db2.gz MWNGPHNQCDMEFE-OAHLLOKOSA-N 1 1 317.389 3.188 20 5 DGBDMO Cc1ccc([N+](=O)[O-])cc1[C@@H](C)[NH2+][C@@H](c1nncn1C)C(C)C ZINC000903060930 619708178 /nfs/dbraw/zinc/70/81/78/619708178.db2.gz IKXAGMHFUPSAEK-IUODEOHRSA-N 1 1 317.393 3.080 20 5 DGBDMO C[C@H](C[NH2+][C@@H]1CCN(C)[C@@H]2CCC[C@H]21)c1ccccc1[N+](=O)[O-] ZINC000903244876 619743645 /nfs/dbraw/zinc/74/36/45/619743645.db2.gz FWBAFUCHHCXDFS-XLNGHYISSA-N 1 1 317.433 3.161 20 5 DGBDMO COc1cc(F)c([N+](=O)[O-])c(NC[C@@H]2CC[N@H+]2C2CCCC2)c1 ZINC000858779676 621220397 /nfs/dbraw/zinc/22/03/97/621220397.db2.gz BZEMUKFNQSUZHP-LBPRGKRZSA-N 1 1 323.368 3.171 20 5 DGBDMO O=[N+]([O-])c1ccc(C[N@@H+]2CCC[C@@](O)(c3ccccc3)C2)cc1 ZINC000859585309 621295351 /nfs/dbraw/zinc/29/53/51/621295351.db2.gz NCSBCGGYFWNEDF-SFHVURJKSA-N 1 1 312.369 3.078 20 5 DGBDMO CC[C@H]([NH2+]Cc1cc(F)ccc1[N+](=O)[O-])c1c(C)nn(C)c1C ZINC000754437110 621511289 /nfs/dbraw/zinc/51/12/89/621511289.db2.gz VXOSCFGGUAFLLB-AWEZNQCLSA-N 1 1 320.368 3.325 20 5 DGBDMO Cc1nn(C[N@H+]2CC[C@](C)(c3ccccc3)C2)c(C)c1[N+](=O)[O-] ZINC000755928611 621604327 /nfs/dbraw/zinc/60/43/27/621604327.db2.gz CZBOFHPHFLHAIR-KRWDZBQOSA-N 1 1 314.389 3.029 20 5 DGBDMO O=[N+]([O-])c1ccc(Cl)c(C[N@H+]2CCC[C@H]3COCC[C@H]32)c1 ZINC000756903085 621671813 /nfs/dbraw/zinc/67/18/13/621671813.db2.gz ZIISGRHOSMQKKK-XHDPSFHLSA-N 1 1 310.781 3.249 20 5 DGBDMO O=[N+]([O-])c1ccc(C[N@@H+]2C[C@@H](O)C[C@@H]2c2ccccc2)cc1F ZINC000839635170 621702991 /nfs/dbraw/zinc/70/29/91/621702991.db2.gz GQHQMJKOAFWLID-WMLDXEAASA-N 1 1 316.332 3.042 20 5 DGBDMO O=[N+]([O-])c1ccc(C[N@H+]2C[C@@H](O)C[C@@H]2c2ccccc2)cc1F ZINC000839635170 621702992 /nfs/dbraw/zinc/70/29/92/621702992.db2.gz GQHQMJKOAFWLID-WMLDXEAASA-N 1 1 316.332 3.042 20 5 DGBDMO O=C(C[NH+]1CCC2(CC2)CC1)Nc1ccc(Cl)c([N+](=O)[O-])c1 ZINC000761062718 621983867 /nfs/dbraw/zinc/98/38/67/621983867.db2.gz NNZSBCZFXYOWPJ-UHFFFAOYSA-N 1 1 323.780 3.063 20 5 DGBDMO Cc1nn(C[N@@H+]2CCCCC[C@@H]2C)c2cc([N+](=O)[O-])ccc12 ZINC000761289822 621999322 /nfs/dbraw/zinc/99/93/22/621999322.db2.gz BUFSSBDFIUVRBS-LBPRGKRZSA-N 1 1 302.378 3.475 20 5 DGBDMO O=[N+]([O-])c1ccc(N[C@@H]2CCc3[nH+]c[nH]c3C2)c(C(F)F)c1 ZINC000865817896 622000319 /nfs/dbraw/zinc/00/03/19/622000319.db2.gz IIWGCYDRLXPLFR-MRVPVSSYSA-N 1 1 308.288 3.225 20 5 DGBDMO O=[N+]([O-])c1ccc(N[C@@H]2CCc3[nH]c[nH+]c3C2)c(C(F)F)c1 ZINC000865817896 622000321 /nfs/dbraw/zinc/00/03/21/622000321.db2.gz IIWGCYDRLXPLFR-MRVPVSSYSA-N 1 1 308.288 3.225 20 5 DGBDMO Cc1nn(C[N@@H+]2CC3(CCC3)C[C@H]2C)c2cc([N+](=O)[O-])ccc12 ZINC000762140495 622056621 /nfs/dbraw/zinc/05/66/21/622056621.db2.gz DVIIMPHTSQCQPG-GFCCVEGCSA-N 1 1 314.389 3.475 20 5 DGBDMO O=[N+]([O-])c1ccccc1CC[NH2+][C@@H]1c2ccccc2OC[C@H]1F ZINC000866274757 622082902 /nfs/dbraw/zinc/08/29/02/622082902.db2.gz SNRZUCMGAZRHCK-RHSMWYFYSA-N 1 1 316.332 3.199 20 5 DGBDMO C[C@@H](Cc1ccc(F)cc1[N+](=O)[O-])[NH2+][C@H]1CCCc2c[nH]nc21 ZINC000866305284 622089647 /nfs/dbraw/zinc/08/96/47/622089647.db2.gz GCGQYUMQMKFFST-HZMBPMFUSA-N 1 1 318.352 3.055 20 5 DGBDMO Cc1nn(C[NH+]2C[C@@H](C)S[C@H](C)C2)c2cc([N+](=O)[O-])ccc12 ZINC000121227153 622163690 /nfs/dbraw/zinc/16/36/90/622163690.db2.gz BUCPWQLUYVHGGP-GHMZBOCLSA-N 1 1 320.418 3.036 20 5 DGBDMO O=[N+]([O-])c1cc(C[N@H+]2CCC[C@H]3COCC[C@H]32)ccc1Cl ZINC000768548390 622464400 /nfs/dbraw/zinc/46/44/00/622464400.db2.gz BFYAFQCMDGJSBI-GXTWGEPZSA-N 1 1 310.781 3.249 20 5 DGBDMO O=[N+]([O-])c1cc(C[N@H+]2CCC[C@@H]3COCC[C@@H]32)ccc1Cl ZINC000768548393 622464476 /nfs/dbraw/zinc/46/44/76/622464476.db2.gz BFYAFQCMDGJSBI-OCCSQVGLSA-N 1 1 310.781 3.249 20 5 DGBDMO CCc1noc(C)c1[C@@H](C)[NH2+]Cc1ccc(OC)c([N+](=O)[O-])c1 ZINC000769872481 622569714 /nfs/dbraw/zinc/56/97/14/622569714.db2.gz IFWRNJHQQJITFB-SNVBAGLBSA-N 1 1 319.361 3.313 20 5 DGBDMO C[C@@H]1CC[N@@H+](Cn2ncc3cc([N+](=O)[O-])ccc32)CC12CCC2 ZINC000770672170 622660003 /nfs/dbraw/zinc/66/00/03/622660003.db2.gz ZEWMUFOLAIQCLA-CYBMUJFWSA-N 1 1 314.389 3.414 20 5 DGBDMO CSc1ccc([N+](=O)[O-])cc1[C@H](C)[NH2+]Cc1cc(C)n[nH]1 ZINC000872039602 622768522 /nfs/dbraw/zinc/76/85/22/622768522.db2.gz UFOZTVNGSZPDNR-JTQLQIEISA-N 1 1 306.391 3.199 20 5 DGBDMO CSc1ccc([N+](=O)[O-])cc1[C@@H](C)[NH2+][C@@H](C)c1cn[nH]c1 ZINC000872052946 622777967 /nfs/dbraw/zinc/77/79/67/622777967.db2.gz UNCHRSXCPQGPQP-VHSXEESVSA-N 1 1 306.391 3.452 20 5 DGBDMO C[C@H](NC1C[C@H]2CC[C@@H](C1)[N@@H+]2C)c1c(F)cccc1[N+](=O)[O-] ZINC000872076980 622791969 /nfs/dbraw/zinc/79/19/69/622791969.db2.gz WSSXQXACOJYARU-WODVXLOZSA-N 1 1 307.369 3.010 20 5 DGBDMO C[C@@H](NCC[C@@H]1CCC[N@H+](C)C1)c1c(F)cccc1[N+](=O)[O-] ZINC000872077767 622792928 /nfs/dbraw/zinc/79/29/28/622792928.db2.gz AXTBSPZDRBSXJR-OLZOCXBDSA-N 1 1 309.385 3.116 20 5 DGBDMO C[C@@H](NCC[C@@H]1CCC[N@@H+](C)C1)c1c(F)cccc1[N+](=O)[O-] ZINC000872077767 622792931 /nfs/dbraw/zinc/79/29/31/622792931.db2.gz AXTBSPZDRBSXJR-OLZOCXBDSA-N 1 1 309.385 3.116 20 5 DGBDMO C[C@H](N[C@@H]1CCC[N@H+]2CCCC[C@@H]12)c1c(F)cccc1[N+](=O)[O-] ZINC000872085624 622796548 /nfs/dbraw/zinc/79/65/48/622796548.db2.gz QCUKDLURFHHHPR-CFVMTHIKSA-N 1 1 321.396 3.401 20 5 DGBDMO C[C@H]([NH2+][C@@H]1CCCN2CCCC[C@@H]12)c1c(F)cccc1[N+](=O)[O-] ZINC000872085624 622796550 /nfs/dbraw/zinc/79/65/50/622796550.db2.gz QCUKDLURFHHHPR-CFVMTHIKSA-N 1 1 321.396 3.401 20 5 DGBDMO CCn1nccc1C[NH2+][C@@H](C)c1cc([N+](=O)[O-])ccc1SC ZINC000872088461 622799007 /nfs/dbraw/zinc/79/90/07/622799007.db2.gz RFRQQGRIJIEQFC-NSHDSACASA-N 1 1 320.418 3.384 20 5 DGBDMO Cc1nn(C[NH+]2CCC(C)(F)CC2)c2cc([N+](=O)[O-])ccc12 ZINC000872691981 622954258 /nfs/dbraw/zinc/95/42/58/622954258.db2.gz SNMXEFAAJHOVMB-UHFFFAOYSA-N 1 1 306.341 3.034 20 5 DGBDMO CCOc1ccc([C@@H](C)[NH2+]Cc2cccc(F)n2)cc1[N+](=O)[O-] ZINC000773091395 622981985 /nfs/dbraw/zinc/98/19/85/622981985.db2.gz WWUKUUVVWHWATL-LLVKDONJSA-N 1 1 319.336 3.378 20 5 DGBDMO CC[N@H+]1CCC[C@@H](CNCc2c(C)ccc([N+](=O)[O-])c2C)C1 ZINC000873029930 623021446 /nfs/dbraw/zinc/02/14/46/623021446.db2.gz WCOGAKXOKLFHIG-HNNXBMFYSA-N 1 1 305.422 3.033 20 5 DGBDMO CCc1nc(C)c(C[NH2+]Cc2c(C)ccc([N+](=O)[O-])c2C)o1 ZINC000873128098 623042010 /nfs/dbraw/zinc/04/20/10/623042010.db2.gz BZDRBDSUYCOFQE-UHFFFAOYSA-N 1 1 303.362 3.360 20 5 DGBDMO CCOc1ccc(C[NH2+][C@@H](C)c2ccccc2[N+](=O)[O-])nc1 ZINC000873183302 623065026 /nfs/dbraw/zinc/06/50/26/623065026.db2.gz CFQJWPOUAUXMES-LBPRGKRZSA-N 1 1 301.346 3.239 20 5 DGBDMO O=[N+]([O-])c1ccc2c(c1)[C@H]([NH2+]Cc1cccc(F)n1)CCC2 ZINC000774273404 623126954 /nfs/dbraw/zinc/12/69/54/623126954.db2.gz YTRNIBDBKKMZQV-OAHLLOKOSA-N 1 1 301.321 3.296 20 5 DGBDMO Cc1[nH+]ccn1-c1ncccc1CNc1cc(C)ccc1[N+](=O)[O-] ZINC000774536177 623158087 /nfs/dbraw/zinc/15/80/87/623158087.db2.gz JXWOIQFPSWIDMP-UHFFFAOYSA-N 1 1 323.356 3.404 20 5 DGBDMO CC1(C)[C@@H]2C[N@@H+](Cn3ncc4cc([N+](=O)[O-])cc(Cl)c43)C[C@@H]21 ZINC000774638565 623169351 /nfs/dbraw/zinc/16/93/51/623169351.db2.gz SONCODXMCCRTJT-TXEJJXNPSA-N 1 1 320.780 3.143 20 5 DGBDMO CC1(C)[C@@H]2C[N@H+](Cn3ncc4cc([N+](=O)[O-])cc(Cl)c43)C[C@@H]21 ZINC000774638565 623169357 /nfs/dbraw/zinc/16/93/57/623169357.db2.gz SONCODXMCCRTJT-TXEJJXNPSA-N 1 1 320.780 3.143 20 5 DGBDMO C[C@@H]1C[C@@H](C)[N@@H+](Cn2ncc3cc([N+](=O)[O-])cc(Cl)c32)C1 ZINC000774639251 623169568 /nfs/dbraw/zinc/16/95/68/623169568.db2.gz UYHFMAYOFRIYOJ-NXEZZACHSA-N 1 1 308.769 3.286 20 5 DGBDMO O=[N+]([O-])c1ccc(CNC[C@H]2CCCC[N@@H+]2C2CC2)cc1Cl ZINC000775157903 623237033 /nfs/dbraw/zinc/23/70/33/623237033.db2.gz LRUQIEYVOYYPRA-CQSZACIVSA-N 1 1 323.824 3.355 20 5 DGBDMO O=[N+]([O-])c1ccc(CNC[C@H]2CCCC[N@H+]2C2CC2)cc1Cl ZINC000775157903 623237037 /nfs/dbraw/zinc/23/70/37/623237037.db2.gz LRUQIEYVOYYPRA-CQSZACIVSA-N 1 1 323.824 3.355 20 5 DGBDMO CCc1ccc(C[N@@H+](C)C[C@@H](O)c2ccc([N+](=O)[O-])cc2)cc1 ZINC000776271314 623405013 /nfs/dbraw/zinc/40/50/13/623405013.db2.gz KKRTZCWVHYELOU-GOSISDBHSA-N 1 1 314.385 3.323 20 5 DGBDMO C[C@@H]1c2ccsc2CC[N@@H+]1C[C@@H](O)c1ccc([N+](=O)[O-])cc1 ZINC000776275170 623405420 /nfs/dbraw/zinc/40/54/20/623405420.db2.gz JMHVKWAELABVMX-IAQYHMDHSA-N 1 1 318.398 3.309 20 5 DGBDMO CC[N@@H+](CCc1ccccc1)C[C@H](O)c1ccc([N+](=O)[O-])cc1 ZINC000776276626 623405773 /nfs/dbraw/zinc/40/57/73/623405773.db2.gz LEKAODWKGHCATC-SFHVURJKSA-N 1 1 314.385 3.193 20 5 DGBDMO C[C@H](c1cccs1)[N@@H+](C)C[C@H](O)c1ccc([N+](=O)[O-])cc1 ZINC000776278585 623405985 /nfs/dbraw/zinc/40/59/85/623405985.db2.gz RJVVBXXCZBVMAI-RISCZKNCSA-N 1 1 306.387 3.383 20 5 DGBDMO CC(C)C[C@H]1CCC[N@@H+](C[C@@H](O)c2ccc([N+](=O)[O-])cc2)C1 ZINC000776278454 623406203 /nfs/dbraw/zinc/40/62/03/623406203.db2.gz SYGUKXUQQPKREA-RHSMWYFYSA-N 1 1 306.406 3.386 20 5 DGBDMO O=[N+]([O-])c1ccc([C@@H](O)C[N@H+]2CC[C@H](c3ccccc3)C2)cc1 ZINC000776578166 623441979 /nfs/dbraw/zinc/44/19/79/623441979.db2.gz DRTIXCGBOQJWIQ-WMZOPIPTSA-N 1 1 312.369 3.118 20 5 DGBDMO C[C@@H](C[N@@H+](C)C[C@@H](O)c1ccc([N+](=O)[O-])cc1)c1ccccc1 ZINC000776581883 623442919 /nfs/dbraw/zinc/44/29/19/623442919.db2.gz OINDBKKVYOWWMA-KBXCAEBGSA-N 1 1 314.385 3.364 20 5 DGBDMO CCS[C@@H]1CCCC[N@@H+](C[C@@H](O)c2ccc([N+](=O)[O-])cc2)C1 ZINC000776581691 623443345 /nfs/dbraw/zinc/44/33/45/623443345.db2.gz HMDPKIXXXJPWFD-HZPDHXFCSA-N 1 1 324.446 3.236 20 5 DGBDMO CC[C@H](c1ccncc1)[N@@H+](C)C[C@H](O)c1ccc([N+](=O)[O-])cc1 ZINC000776602135 623446100 /nfs/dbraw/zinc/44/61/00/623446100.db2.gz SLIUXZWGYMLVDN-SJORKVTESA-N 1 1 315.373 3.106 20 5 DGBDMO C[C@@H]1CC[N@@H+](Cn2cc(-c3cccc([N+](=O)[O-])c3)cn2)C[C@@H]1C ZINC000777958566 623590994 /nfs/dbraw/zinc/59/09/94/623590994.db2.gz RHWWVMHJMDIKPN-KGLIPLIRSA-N 1 1 314.389 3.394 20 5 DGBDMO Cc1ccc([N+](=O)[O-])c(C)c1C[N@@H+](C[C@@H]1CCOC1)C1CC1 ZINC000876570512 623647586 /nfs/dbraw/zinc/64/75/86/623647586.db2.gz FCQMCSFOYVUMDU-AWEZNQCLSA-N 1 1 304.390 3.213 20 5 DGBDMO CC(C)[C@@H](C(=O)Oc1cc(F)cc([N+](=O)[O-])c1)[NH+]1CCCCC1 ZINC000778692828 623683388 /nfs/dbraw/zinc/68/33/88/623683388.db2.gz GMGADYLYOYIMAY-HNNXBMFYSA-N 1 1 324.352 3.150 20 5 DGBDMO CC[N@@H+]1CCCC[C@@H]1C(=O)O[C@@H](C)c1cc([N+](=O)[O-])ccc1C ZINC000778808844 623698963 /nfs/dbraw/zinc/69/89/63/623698963.db2.gz UQUYVMGOXWYFIL-XJKSGUPXSA-N 1 1 320.389 3.382 20 5 DGBDMO CC[N@H+]1CCCC[C@@H]1C(=O)O[C@@H](C)c1cc([N+](=O)[O-])ccc1C ZINC000778808844 623698967 /nfs/dbraw/zinc/69/89/67/623698967.db2.gz UQUYVMGOXWYFIL-XJKSGUPXSA-N 1 1 320.389 3.382 20 5 DGBDMO Cc1ccc([N+](=O)[O-])c(C)c1C[N@H+]1CCC[C@H]2COCC[C@@H]21 ZINC000876804739 623710714 /nfs/dbraw/zinc/71/07/14/623710714.db2.gz TYTSLYIVYVVDAY-YOEHRIQHSA-N 1 1 304.390 3.213 20 5 DGBDMO Cc1nn(C[N@@H+]2CCCC3(C2)CCCCCC3)cc1[N+](=O)[O-] ZINC000779862718 623823315 /nfs/dbraw/zinc/82/33/15/623823315.db2.gz DQWVNQUAYVBLKG-UHFFFAOYSA-N 1 1 306.410 3.494 20 5 DGBDMO Cc1nn(C[N@H+]2CCCC3(C2)CCCCCC3)cc1[N+](=O)[O-] ZINC000779862718 623823319 /nfs/dbraw/zinc/82/33/19/623823319.db2.gz DQWVNQUAYVBLKG-UHFFFAOYSA-N 1 1 306.410 3.494 20 5 DGBDMO Cc1ccc(C[N@H+](CCO)Cc2c(C)ccc([N+](=O)[O-])c2C)o1 ZINC000877491900 623910308 /nfs/dbraw/zinc/91/03/08/623910308.db2.gz CFOCVIIOGNPIRP-UHFFFAOYSA-N 1 1 318.373 3.108 20 5 DGBDMO Cc1ccc(C[N@@H+](CCO)Cc2c(C)ccc([N+](=O)[O-])c2C)o1 ZINC000877491900 623910310 /nfs/dbraw/zinc/91/03/10/623910310.db2.gz CFOCVIIOGNPIRP-UHFFFAOYSA-N 1 1 318.373 3.108 20 5 DGBDMO Cc1ccc([N+](=O)[O-])c(C)c1C[N@H+]1CCC[C@H]1[C@H]1CCCO1 ZINC000877507548 623916090 /nfs/dbraw/zinc/91/60/90/623916090.db2.gz PECBBRQJXSCPKQ-DLBZAZTESA-N 1 1 304.390 3.355 20 5 DGBDMO CCOc1ccc([N+](=O)[O-])cc1C[N@H+]1CC[C@@H]2CSC[C@@H]2C1 ZINC000877741359 624014043 /nfs/dbraw/zinc/01/40/43/624014043.db2.gz VJDNVYISEDWYPF-OCCSQVGLSA-N 1 1 322.430 3.178 20 5 DGBDMO CC(C)(O)C1CC[NH+](Cc2cc(Cl)ccc2[N+](=O)[O-])CC1 ZINC000877754216 624021171 /nfs/dbraw/zinc/02/11/71/624021171.db2.gz XHYAIBRYBIULNJ-UHFFFAOYSA-N 1 1 312.797 3.231 20 5 DGBDMO Cc1csc([C@@H]2CC[N@@H+](Cc3ccccc3[N+](=O)[O-])C2)n1 ZINC000877812669 624044119 /nfs/dbraw/zinc/04/41/19/624044119.db2.gz DRALGZNVIQUMNJ-CYBMUJFWSA-N 1 1 303.387 3.349 20 5 DGBDMO Cc1csc([C@@H]2CC[N@@H+](Cc3ccc([N+](=O)[O-])cc3F)C2)n1 ZINC000877813310 624045729 /nfs/dbraw/zinc/04/57/29/624045729.db2.gz KUJVBFCJFOYRAD-GFCCVEGCSA-N 1 1 321.377 3.488 20 5 DGBDMO COC(=O)CC[C@@H]1CCC[N@@H+](Cc2ccc(C)c([N+](=O)[O-])c2)C1 ZINC000877823422 624054866 /nfs/dbraw/zinc/05/48/66/624054866.db2.gz ZCYGIROMIHUEMP-AWEZNQCLSA-N 1 1 320.389 3.068 20 5 DGBDMO C/C(=C\c1cccc([N+](=O)[O-])c1)C[N@H+]1CC[C@H](C(C)(C)O)C1 ZINC000877836090 624064901 /nfs/dbraw/zinc/06/49/01/624064901.db2.gz MOXHAWMPFJGHGS-GLNPCMGASA-N 1 1 304.390 3.091 20 5 DGBDMO C[C@H]1CC[N@@H+](Cc2nnc(-c3ccc(Cl)cc3[N+](=O)[O-])o2)C1 ZINC000878030999 624142653 /nfs/dbraw/zinc/14/26/53/624142653.db2.gz NIFIIJDQJOYJOS-VIFPVBQESA-N 1 1 322.752 3.140 20 5 DGBDMO CC[C@@H](C)C[N@@H+](C)Cc1nnc(-c2ccccc2[N+](=O)[O-])o1 ZINC000878093836 624164394 /nfs/dbraw/zinc/16/43/94/624164394.db2.gz NUPMOTOBWKUTAE-LLVKDONJSA-N 1 1 304.350 3.123 20 5 DGBDMO CC[C@H]1C[C@@H](C)C[N@H+]1Cc1nnc(-c2ccccc2[N+](=O)[O-])o1 ZINC000878155517 624192026 /nfs/dbraw/zinc/19/20/26/624192026.db2.gz CGVGESGBPVFWLV-NEPJUHHUSA-N 1 1 316.361 3.265 20 5 DGBDMO CC(C)[C@@H]1CC[N@@H+](Cc2nnc(-c3ccccc3[N+](=O)[O-])o2)C1 ZINC000878182397 624205904 /nfs/dbraw/zinc/20/59/04/624205904.db2.gz ILEGAEWUNSVMFT-GFCCVEGCSA-N 1 1 316.361 3.123 20 5 DGBDMO C[N@@H+](CCc1ccccc1[N+](=O)[O-])C[C@@H]1CCC2(CCC2)O1 ZINC000878599402 624318153 /nfs/dbraw/zinc/31/81/53/624318153.db2.gz YEHWFJBNNZEISO-HNNXBMFYSA-N 1 1 304.390 3.171 20 5 DGBDMO O=[N+]([O-])c1ccc(C[N@@H+]2CCC[C@@H]2c2cccnc2)cc1F ZINC000805746616 624357502 /nfs/dbraw/zinc/35/75/02/624357502.db2.gz CRGVAVXWHWOFRA-OAHLLOKOSA-N 1 1 301.321 3.466 20 5 DGBDMO O=[N+]([O-])c1ccc(C[N@H+]2CCC[C@@H]2c2cccnc2)cc1F ZINC000805746616 624357507 /nfs/dbraw/zinc/35/75/07/624357507.db2.gz CRGVAVXWHWOFRA-OAHLLOKOSA-N 1 1 301.321 3.466 20 5 DGBDMO O=[N+]([O-])c1ccc(C[NH+]2CCC(c3c[nH]cn3)CC2)cc1Cl ZINC000783567644 624366302 /nfs/dbraw/zinc/36/63/02/624366302.db2.gz VCHJLJXWQXBAAH-UHFFFAOYSA-N 1 1 320.780 3.351 20 5 DGBDMO C[N@H+](Cc1nnc(-c2ccccc2[N+](=O)[O-])o1)C[C@H]1CC1(C)C ZINC000879008284 624407579 /nfs/dbraw/zinc/40/75/79/624407579.db2.gz QYPIXNTWDJOSLC-LLVKDONJSA-N 1 1 316.361 3.123 20 5 DGBDMO O=[N+]([O-])c1ccc(C[N@@H+]2CCC[C@H]2[C@@H](O)c2ccccc2)cc1 ZINC000879239454 624457437 /nfs/dbraw/zinc/45/74/37/624457437.db2.gz BGVBYTXYCDBQQB-ROUUACIJSA-N 1 1 312.369 3.293 20 5 DGBDMO O=[N+]([O-])c1cc(F)c(C[N@@H+]2CC[C@@H]3CSC[C@@H]3C2)c(F)c1 ZINC000879566365 624593010 /nfs/dbraw/zinc/59/30/10/624593010.db2.gz UOAHAKFZBVWFBK-ZJUUUORDSA-N 1 1 314.357 3.058 20 5 DGBDMO O=[N+]([O-])c1cc(F)c(C[N@H+]2CC[C@@H]3CSC[C@@H]3C2)c(F)c1 ZINC000879566365 624593014 /nfs/dbraw/zinc/59/30/14/624593014.db2.gz UOAHAKFZBVWFBK-ZJUUUORDSA-N 1 1 314.357 3.058 20 5 DGBDMO C[C@@H](O)[C@H]1C[C@H](C)CC[N@H+]1Cc1cc(Cl)ccc1[N+](=O)[O-] ZINC000785546032 624684565 /nfs/dbraw/zinc/68/45/65/624684565.db2.gz KEQQIFRJNLPCJG-UEKVPHQBSA-N 1 1 312.797 3.230 20 5 DGBDMO Cc1csc([C@H]2CC[N@@H+](Cc3cc(F)ccc3[N+](=O)[O-])C2)n1 ZINC000880011783 624754254 /nfs/dbraw/zinc/75/42/54/624754254.db2.gz RGPBUFKHTLCSSB-NSHDSACASA-N 1 1 321.377 3.488 20 5 DGBDMO C[C@H](c1nnc(-c2ccc([N+](=O)[O-])cc2)o1)[NH+]1CCC(F)CC1 ZINC000880240999 624863333 /nfs/dbraw/zinc/86/33/33/624863333.db2.gz CBLXYIZVIWPRHR-SNVBAGLBSA-N 1 1 320.324 3.140 20 5 DGBDMO C[C@H]1CCC[N@@H+](CCC(=O)Nc2cc([N+](=O)[O-])ccc2F)CC1 ZINC000128380787 624938978 /nfs/dbraw/zinc/93/89/78/624938978.db2.gz KDHHUPREFMFKTL-LBPRGKRZSA-N 1 1 323.368 3.185 20 5 DGBDMO O=C(OCc1csc([N+](=O)[O-])c1)[C@H]1CCC[N@H+]1C1CCCC1 ZINC000786884922 624962071 /nfs/dbraw/zinc/96/20/71/624962071.db2.gz YGYIQOWZJLBVSO-CYBMUJFWSA-N 1 1 324.402 3.107 20 5 DGBDMO CCc1nn(C)c(Cl)c1C[NH2+]Cc1cccc([N+](=O)[O-])c1C ZINC000790998307 625734262 /nfs/dbraw/zinc/73/42/62/625734262.db2.gz JGTJIVHFKMTJIV-UHFFFAOYSA-N 1 1 322.796 3.142 20 5 DGBDMO Cc1ccccc1[C@H](O)C[N@@H+](C)CCc1ccccc1[N+](=O)[O-] ZINC000796115367 626023499 /nfs/dbraw/zinc/02/34/99/626023499.db2.gz YYJDOSWDMMHDMS-GOSISDBHSA-N 1 1 314.385 3.111 20 5 DGBDMO C[N@H+]1CC[C@H](NCc2cc([N+](=O)[O-])ccc2Cl)[C@@H]2CCC[C@@H]21 ZINC000796840401 626088509 /nfs/dbraw/zinc/08/85/09/626088509.db2.gz WWENWQIQBNJRRV-BPUTZDHNSA-N 1 1 323.824 3.211 20 5 DGBDMO CC1=C[C@@H](C)C[N@@H+](Cn2cc(-c3ccc([N+](=O)[O-])cc3)cn2)C1 ZINC000797419106 626141346 /nfs/dbraw/zinc/14/13/46/626141346.db2.gz BSYKIFPVCASMDM-CYBMUJFWSA-N 1 1 312.373 3.314 20 5 DGBDMO COCC[N@@H+](Cc1ccc([N+](=O)[O-])c(F)c1)[C@H]1CC[C@@H](C)C1 ZINC000801548655 626409286 /nfs/dbraw/zinc/40/92/86/626409286.db2.gz KQEMGIRNVVDQDF-OCCSQVGLSA-N 1 1 310.369 3.371 20 5 DGBDMO Cc1ccccc1OCC[N@H+](C)CCc1cccc([N+](=O)[O-])c1 ZINC000801601240 626412084 /nfs/dbraw/zinc/41/20/84/626412084.db2.gz CYQZHDLNDRQFAX-UHFFFAOYSA-N 1 1 314.385 3.457 20 5 DGBDMO O=[N+]([O-])c1ccccc1/C=C\C[NH2+]C1(c2ncccn2)CCC1 ZINC000883308184 626641969 /nfs/dbraw/zinc/64/19/69/626641969.db2.gz JZSUASLTZGARAC-CLTKARDFSA-N 1 1 310.357 3.067 20 5 DGBDMO O=[N+]([O-])c1ccccc1/C=C/C[NH2+]C1(c2ncccn2)CCC1 ZINC000883308185 626641986 /nfs/dbraw/zinc/64/19/86/626641986.db2.gz JZSUASLTZGARAC-XVNBXDOJSA-N 1 1 310.357 3.067 20 5 DGBDMO C[C@H](OC(=O)CC[C@@H]1CCCC[N@H+]1C)c1cccc([N+](=O)[O-])c1 ZINC000803858873 626645382 /nfs/dbraw/zinc/64/53/82/626645382.db2.gz KHKXOZQXMXNSMN-ZFWWWQNUSA-N 1 1 320.389 3.464 20 5 DGBDMO C[C@@H](OC(=O)CC[C@@H]1CCCC[N@H+]1C)c1cccc([N+](=O)[O-])c1 ZINC000803858871 626645450 /nfs/dbraw/zinc/64/54/50/626645450.db2.gz KHKXOZQXMXNSMN-HIFRSBDPSA-N 1 1 320.389 3.464 20 5 DGBDMO O=[N+]([O-])c1ccc(Cl)cc1NCCc1cn2c([nH+]1)CCCC2 ZINC000804342751 626671254 /nfs/dbraw/zinc/67/12/54/626671254.db2.gz OMBKLRROAXCUGT-UHFFFAOYSA-N 1 1 320.780 3.436 20 5 DGBDMO C[C@@H](CNc1c([N+](=O)[O-])cccc1[N+](=O)[O-])[N@H+]1CCC[C@@H](C)C1 ZINC000804349997 626672299 /nfs/dbraw/zinc/67/22/99/626672299.db2.gz SUVULSQGCUYFEV-NEPJUHHUSA-N 1 1 322.365 3.035 20 5 DGBDMO CC(=O)c1ccc([N+](=O)[O-])cc1NCCC[N@@H+]1CCCC[C@H]1C ZINC000807918627 626777539 /nfs/dbraw/zinc/77/75/39/626777539.db2.gz XXAVEUGBBMEFLZ-CYBMUJFWSA-N 1 1 319.405 3.474 20 5 DGBDMO CC(=O)c1ccc([N+](=O)[O-])cc1NC[C@@H]1CCCC[N@H+]1C1CC1 ZINC000808049988 626789216 /nfs/dbraw/zinc/78/92/16/626789216.db2.gz NJOYMIVVVOCGKH-HNNXBMFYSA-N 1 1 317.389 3.226 20 5 DGBDMO O=[N+]([O-])c1ccc2cnn(C[N@H+]3CCC[C@H](C4CC4)C3)c2c1 ZINC000808229943 626806540 /nfs/dbraw/zinc/80/65/40/626806540.db2.gz DWDWIDHMXIMVQO-AWEZNQCLSA-N 1 1 300.362 3.024 20 5 DGBDMO Cc1nn(C[N@H+]2CCC[C@H](C3CC3)C2)c2ccc([N+](=O)[O-])cc12 ZINC000808230017 626807218 /nfs/dbraw/zinc/80/72/18/626807218.db2.gz FPLZAHQNFDJIDU-AWEZNQCLSA-N 1 1 314.389 3.332 20 5 DGBDMO CCCC[N@@H+](Cn1cc([N+](=O)[O-])c(C)n1)[C@@H]1CCCC[C@H]1OC ZINC000840134302 626816867 /nfs/dbraw/zinc/81/68/67/626816867.db2.gz MMFBVMPEAJLWED-GDBMZVCRSA-N 1 1 324.425 3.117 20 5 DGBDMO C[N@@H+](Cn1nccc1[N+](=O)[O-])[C@H]1CCCC[C@H]1c1ccccc1 ZINC000840182102 626923036 /nfs/dbraw/zinc/92/30/36/626923036.db2.gz NQXRFJLJDZTHFG-HOTGVXAUSA-N 1 1 314.389 3.407 20 5 DGBDMO O=[N+]([O-])c1c(Cl)cc(Cl)cc1C[N@H+](CCO)C1CCC1 ZINC000809985855 626965523 /nfs/dbraw/zinc/96/55/23/626965523.db2.gz SXCUJNXRNOFWGD-UHFFFAOYSA-N 1 1 319.188 3.248 20 5 DGBDMO COc1ccc([C@@H](C)[N@H+](C)Cc2cccnc2[N+](=O)[O-])cc1 ZINC000885931433 627062823 /nfs/dbraw/zinc/06/28/23/627062823.db2.gz UXVIJILENCEHCQ-GFCCVEGCSA-N 1 1 301.346 3.191 20 5 DGBDMO COc1ccc([C@@H](C)[N@@H+](C)Cc2cccnc2[N+](=O)[O-])cc1 ZINC000885931433 627062826 /nfs/dbraw/zinc/06/28/26/627062826.db2.gz UXVIJILENCEHCQ-GFCCVEGCSA-N 1 1 301.346 3.191 20 5 DGBDMO C[N@H+](CCCOc1ccc(F)cc1)Cc1cccnc1[N+](=O)[O-] ZINC000885951263 627067562 /nfs/dbraw/zinc/06/75/62/627067562.db2.gz COKYWANQCSAJQK-UHFFFAOYSA-N 1 1 319.336 3.030 20 5 DGBDMO C[N@@H+](CCCOc1ccc(F)cc1)Cc1cccnc1[N+](=O)[O-] ZINC000885951263 627067563 /nfs/dbraw/zinc/06/75/63/627067563.db2.gz COKYWANQCSAJQK-UHFFFAOYSA-N 1 1 319.336 3.030 20 5 DGBDMO O=[N+]([O-])c1ncccc1C[N@H+]1CCC[C@@H]1Cc1ccc(F)cc1 ZINC000885963385 627071773 /nfs/dbraw/zinc/07/17/73/627071773.db2.gz MNROMQMXZMJKLE-MRXNPFEDSA-N 1 1 315.348 3.336 20 5 DGBDMO C[C@H](c1ccccc1[N+](=O)[O-])[N@H+]1CCC[C@@H](c2ncccn2)C1 ZINC000886680694 627188411 /nfs/dbraw/zinc/18/84/11/627188411.db2.gz JYMDJRZEVZEBDN-ZIAGYGMSSA-N 1 1 312.373 3.325 20 5 DGBDMO O=[N+]([O-])c1ccc(Cl)c(C[N@H+]2CC[C@H]([C@H]3CCCO3)C2)c1 ZINC000886830914 627209501 /nfs/dbraw/zinc/20/95/01/627209501.db2.gz ZRENTOBWTZRLPA-XHDPSFHLSA-N 1 1 310.781 3.249 20 5 DGBDMO CC(C)[N@H+](C)C[C@H](C)Nc1nc2ccc([N+](=O)[O-])cc2s1 ZINC000811848892 627329526 /nfs/dbraw/zinc/32/95/26/627329526.db2.gz YRJPIEFTWRUEGL-JTQLQIEISA-N 1 1 308.407 3.345 20 5 DGBDMO CC(=O)c1cc([N+](=O)[O-])ccc1NCCCC[N@H+](C)C1CC1 ZINC000840317113 627559471 /nfs/dbraw/zinc/55/94/71/627559471.db2.gz YOTSYXVXJTZPRH-UHFFFAOYSA-N 1 1 305.378 3.084 20 5 DGBDMO Cc1cc(N2CC[C@]3(C2)CCC[N@H+](C)C3)c(Cl)cc1[N+](=O)[O-] ZINC000814909878 627606206 /nfs/dbraw/zinc/60/62/06/627606206.db2.gz PKAOCFIHSWPUMG-MRXNPFEDSA-N 1 1 323.824 3.479 20 5 DGBDMO CC[C@@H]([NH2+]Cc1cnn(C)c1Cl)c1cccc([N+](=O)[O-])c1 ZINC000815129434 627632842 /nfs/dbraw/zinc/63/28/42/627632842.db2.gz ZZFQHVWWVWYFTA-CYBMUJFWSA-N 1 1 308.769 3.223 20 5 DGBDMO O=[N+]([O-])c1ccc(Cl)c(C[N@@H+]2CCC[C@@H](CCO)CC2)c1 ZINC000817299097 627879634 /nfs/dbraw/zinc/87/96/34/627879634.db2.gz VGINVGVBLAJTEV-GFCCVEGCSA-N 1 1 312.797 3.233 20 5 DGBDMO Cc1ccc(C[NH2+][C@H](C)c2cn3c(n2)CCCC3)cc1[N+](=O)[O-] ZINC000926795436 627956579 /nfs/dbraw/zinc/95/65/79/627956579.db2.gz KIMFMOLHJNLEQW-CYBMUJFWSA-N 1 1 314.389 3.287 20 5 DGBDMO COc1cc([C@H](C)[NH2+][C@H](C)c2ccc(C)c([N+](=O)[O-])c2)on1 ZINC000820822754 628300565 /nfs/dbraw/zinc/30/05/65/628300565.db2.gz KKFVOYGHGCBVHS-MNOVXSKESA-N 1 1 305.334 3.312 20 5 DGBDMO C[N@@H+](Cc1ccc([N+](=O)[O-])c(Cl)c1)[C@H](CO)c1ccccc1 ZINC000824696558 628684789 /nfs/dbraw/zinc/68/47/89/628684789.db2.gz OVWDKPPYEWSRBV-MRXNPFEDSA-N 1 1 320.776 3.414 20 5 DGBDMO O=[N+]([O-])c1cc(C[N@@H+]2CCC[C@@H]2[C@@H]2CCC[C@@H]2O)ccc1Cl ZINC000824715166 628686561 /nfs/dbraw/zinc/68/65/61/628686561.db2.gz IQWQKUFTQOEYSX-BJJXKVORSA-N 1 1 324.808 3.374 20 5 DGBDMO CC(C)[N@H+]1CC[C@H](N(C)Cc2ccc(Cl)c([N+](=O)[O-])c2)C1 ZINC000825332394 628750935 /nfs/dbraw/zinc/75/09/35/628750935.db2.gz WIJYZBYHVUNYET-ZDUSSCGKSA-N 1 1 311.813 3.163 20 5 DGBDMO CC(C)[N@H+]1CC[C@H](N(C)c2nc3ccc([N+](=O)[O-])cc3s2)C1 ZINC000829572678 629170506 /nfs/dbraw/zinc/17/05/06/629170506.db2.gz SNVPVNWNKFBTLV-LBPRGKRZSA-N 1 1 320.418 3.123 20 5 DGBDMO C[N@@H+](Cc1cc(Cl)ccc1[N+](=O)[O-])[C@@H](CO)CC(C)(C)C ZINC000832094298 629441689 /nfs/dbraw/zinc/44/16/89/629441689.db2.gz PDGZDRRAKKBGNX-CYBMUJFWSA-N 1 1 314.813 3.477 20 5 DGBDMO CO[C@H]1C[C@H]([N@@H+](C)Cc2cc(F)ccc2[N+](=O)[O-])C12CCC2 ZINC000832204875 629450157 /nfs/dbraw/zinc/45/01/57/629450157.db2.gz UHYVIGOTMGSCDY-GJZGRUSLSA-N 1 1 308.353 3.123 20 5 DGBDMO CC(C)[N@H+]1CCCC[C@H]1COC(=O)c1ccc([N+](=O)[O-])s1 ZINC000837327133 630240691 /nfs/dbraw/zinc/24/06/91/630240691.db2.gz XAMXPYVCMLWMQN-NSHDSACASA-N 1 1 312.391 3.076 20 5 DGBDMO O=[N+]([O-])c1ccc2c(cnn2C[N@H+]2CCC[C@@H]2C2CCC2)c1 ZINC000102886022 630302627 /nfs/dbraw/zinc/30/26/27/630302627.db2.gz WETJWZLMJPIBPX-OAHLLOKOSA-N 1 1 300.362 3.167 20 5 DGBDMO OC[C@@H]1C[N@@H+](Cc2c3ccccc3cc3ccccc32)CC[C@@H]1O ZINC000840976495 630390621 /nfs/dbraw/zinc/39/06/21/630390621.db2.gz WWKZMHVBMSZUAQ-UWJYYQICSA-N 1 1 321.420 3.168 20 5 DGBDMO COc1ccc([N+](=O)[O-])cc1CSCCCn1cc[nH+]c1C ZINC000842197078 630505267 /nfs/dbraw/zinc/50/52/67/630505267.db2.gz RAVDAPRJXSRVKM-UHFFFAOYSA-N 1 1 321.402 3.432 20 5 DGBDMO O=[N+]([O-])c1ccc(Cl)c(CN2CCC[C@H]([C@H]3CC[NH2+]C3)C2)c1 ZINC000843125827 630616275 /nfs/dbraw/zinc/61/62/75/630616275.db2.gz JHOFBBMNXKYEDL-STQMWFEESA-N 1 1 323.824 3.070 20 5 DGBDMO O=[N+]([O-])c1ccc(Cl)cc1CN1CCC[C@@H]([C@H]2CC[NH2+]C2)C1 ZINC000843125603 630616356 /nfs/dbraw/zinc/61/63/56/630616356.db2.gz YNTZGUWENLZJOP-QWHCGFSZSA-N 1 1 323.824 3.070 20 5 DGBDMO CN(CCC1CC[NH2+]CC1)Cc1cc([N+](=O)[O-])ccc1Cl ZINC000843357098 630649375 /nfs/dbraw/zinc/64/93/75/630649375.db2.gz CHRIXYWNRLMGDC-UHFFFAOYSA-N 1 1 311.813 3.070 20 5 DGBDMO C[C@@H](CO)C1CC[NH+](Cc2ccc(Cl)c([N+](=O)[O-])c2)CC1 ZINC000844415312 630727042 /nfs/dbraw/zinc/72/70/42/630727042.db2.gz CIWDMUQJZRQZMA-NSHDSACASA-N 1 1 312.797 3.089 20 5 DGBDMO C[C@@H](CO)C1CC[NH+](Cc2cc([N+](=O)[O-])ccc2Cl)CC1 ZINC000844419426 630727408 /nfs/dbraw/zinc/72/74/08/630727408.db2.gz MHKHVSJBOYHWGM-NSHDSACASA-N 1 1 312.797 3.089 20 5 DGBDMO CC(C)c1ccc(C(=O)OC[C@@H]2CC[N@@H+](C)[C@@H]2C)cc1[N+](=O)[O-] ZINC000845820365 631197870 /nfs/dbraw/zinc/19/78/70/631197870.db2.gz YGTLSCSCYXTSRW-OCCSQVGLSA-N 1 1 320.389 3.215 20 5 DGBDMO CC(C)[N@@H+](Cn1cc(-c2ccccc2[N+](=O)[O-])cn1)C1CC1 ZINC000848476007 631667472 /nfs/dbraw/zinc/66/74/72/631667472.db2.gz VPJQFMOBAKKTHU-UHFFFAOYSA-N 1 1 300.362 3.289 20 5 DGBDMO C[C@H]1C[N@@H+](Cn2cc(-c3ccccc3[N+](=O)[O-])cn2)C[C@H]1C ZINC000848481190 631668784 /nfs/dbraw/zinc/66/87/84/631668784.db2.gz WONFNNKFUZMOCI-BETUJISGSA-N 1 1 300.362 3.004 20 5 DGBDMO C[C@@H](C(=O)OCc1ccc(F)cc1[N+](=O)[O-])[N@@H+]1[C@H](C)CC[C@@H]1C ZINC000849731320 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HJANHYLZCFRPAG-NSHDSACASA-N 1 1 311.357 3.183 20 5 DGBDMO O=[N+]([O-])c1ccc(C[N@H+]2CCC[C@@H]2[C@H]2CCCO2)cc1Cl ZINC000793610314 661050023 /nfs/dbraw/zinc/05/00/23/661050023.db2.gz SXONUOHTZQAZDL-HUUCEWRRSA-N 1 1 310.781 3.392 20 5 DGBDMO O=[N+]([O-])c1ccc(C[N@H+]2CC[C@@]3(C2)CCCOC3)cc1Cl ZINC000793619048 661050631 /nfs/dbraw/zinc/05/06/31/661050631.db2.gz CGIGIYLMKRAHTK-OAHLLOKOSA-N 1 1 310.781 3.251 20 5 DGBDMO CC[N@@H+](CC1CCC1)Cn1nc(C)c2cc([N+](=O)[O-])ccc21 ZINC000794683136 661098432 /nfs/dbraw/zinc/09/84/32/661098432.db2.gz LNPZZQRNWYGCQV-UHFFFAOYSA-N 1 1 302.378 3.332 20 5 DGBDMO C[C@H]1CC[C@@H](c2ccccc2)[N@H+](Cn2cc([N+](=O)[O-])cn2)C1 ZINC000795700166 661168519 /nfs/dbraw/zinc/16/85/19/661168519.db2.gz HOWINFYDIKNDIK-BBRMVZONSA-N 1 1 300.362 3.222 20 5 DGBDMO C[C@H]1CC[C@@H](c2ccccc2)[N@@H+](Cn2cc([N+](=O)[O-])cn2)C1 ZINC000795700166 661168521 /nfs/dbraw/zinc/16/85/21/661168521.db2.gz HOWINFYDIKNDIK-BBRMVZONSA-N 1 1 300.362 3.222 20 5 DGBDMO CCc1ccc([C@H]2CCC[N@H+](Cn3nccc3[N+](=O)[O-])C2)cc1 ZINC000795726852 661169822 /nfs/dbraw/zinc/16/98/22/661169822.db2.gz GXJBXBYGJPLCLX-INIZCTEOSA-N 1 1 314.389 3.191 20 5 DGBDMO CCc1ccc([C@H]2CCC[N@@H+](Cn3nccc3[N+](=O)[O-])C2)cc1 ZINC000795726852 661169824 /nfs/dbraw/zinc/16/98/24/661169824.db2.gz GXJBXBYGJPLCLX-INIZCTEOSA-N 1 1 314.389 3.191 20 5 DGBDMO CCc1ccc([C@H]2CCC[N@H+](Cn3cc([N+](=O)[O-])cn3)C2)cc1 ZINC000795726834 661169827 /nfs/dbraw/zinc/16/98/27/661169827.db2.gz GTABSZLINCYCKM-INIZCTEOSA-N 1 1 314.389 3.191 20 5 DGBDMO CCc1ccc([C@H]2CCC[N@@H+](Cn3cc([N+](=O)[O-])cn3)C2)cc1 ZINC000795726834 661169828 /nfs/dbraw/zinc/16/98/28/661169828.db2.gz GTABSZLINCYCKM-INIZCTEOSA-N 1 1 314.389 3.191 20 5 DGBDMO O=[N+]([O-])c1ccc(Cl)cc1C[NH2+][C@H](CO)c1ccccc1 ZINC000093632914 655704961 /nfs/dbraw/zinc/70/49/61/655704961.db2.gz CRENLLXXKHCCKI-CQSZACIVSA-N 1 1 306.749 3.071 20 5 DGBDMO C[C@]1(C[NH3+])CCN(Cc2ccc(-c3ccccc3[N+](=O)[O-])o2)C1 ZINC000261678286 656962234 /nfs/dbraw/zinc/96/22/34/656962234.db2.gz GTMVYLHTMUXEAH-QGZVFWFLSA-N 1 1 315.373 3.026 20 5 DGBDMO COCC[N@H+](Cc1cc([N+](=O)[O-])ccc1Cl)CC(C)C ZINC000042369000 658770173 /nfs/dbraw/zinc/77/01/73/658770173.db2.gz VJHUYFHWLJVIMQ-UHFFFAOYSA-N 1 1 300.786 3.353 20 5 DGBDMO CC[N@H+](Cc1ccccc1)C[C@H](O)c1ccc([N+](=O)[O-])cc1 ZINC000062351047 659321256 /nfs/dbraw/zinc/32/12/56/659321256.db2.gz JKJCKNBTNJGLFR-KRWDZBQOSA-N 1 1 300.358 3.150 20 5 DGBDMO C[C@H](C(=O)Nc1ccc([N+](=O)[O-])cc1)[N@H+]1CCC2(CCCC2)C1 ZINC000173825190 659401708 /nfs/dbraw/zinc/40/17/08/659401708.db2.gz AEGPQWWJZMHCSP-CYBMUJFWSA-N 1 1 317.389 3.188 20 5 DGBDMO Cc1cn(C)nc1C[N@H+]1CCC[C@@H](c2ccc([N+](=O)[O-])cc2)C1 ZINC000930637280 661417522 /nfs/dbraw/zinc/41/75/22/661417522.db2.gz KUZDAXVNGODEHL-OAHLLOKOSA-N 1 1 314.389 3.016 20 5 DGBDMO Cc1ccc([N+](=O)[O-])cc1[C@H](C)[N@H+]1Cc2c[nH]nc2[C@@H](C)C1 ZINC000931459917 661478813 /nfs/dbraw/zinc/47/88/13/661478813.db2.gz CLCFDGTWINGCOC-RYUDHWBXSA-N 1 1 300.362 3.307 20 5 DGBDMO Cc1ccc([N+](=O)[O-])cc1[C@H](C)[N@@H+]1Cc2c[nH]nc2[C@@H](C)C1 ZINC000931459917 661478814 /nfs/dbraw/zinc/47/88/14/661478814.db2.gz CLCFDGTWINGCOC-RYUDHWBXSA-N 1 1 300.362 3.307 20 5 DGBDMO CC(C)(C)OC[C@@H]1CCCN1Cc1cc([O-])ccc1[N+](=O)[O-] ZINC000932168147 661543762 /nfs/dbraw/zinc/54/37/62/661543762.db2.gz HSHPVQKHAFYBLS-ZDUSSCGKSA-N 1 1 308.378 3.080 20 5 DGBDMO C[C@@H]([NH2+]Cc1cc(CO)ccc1F)c1ccc([N+](=O)[O-])cc1 ZINC000932178916 661544861 /nfs/dbraw/zinc/54/48/61/661544861.db2.gz ULZBRBVANRHCQG-LLVKDONJSA-N 1 1 304.321 3.077 20 5 DGBDMO CC1(C)C[C@@H](c2ccccc2)C[N@H+]1CCn1ccc([N+](=O)[O-])n1 ZINC000932905497 661607884 /nfs/dbraw/zinc/60/78/84/661607884.db2.gz XGQKCFZDILWUBS-OAHLLOKOSA-N 1 1 314.389 3.059 20 5 DGBDMO Cc1ccc([N+](=O)[O-])cc1[C@@H](C)[N@H+](C)Cc1cccc(=O)[nH]1 ZINC000933399415 661632103 /nfs/dbraw/zinc/63/21/03/661632103.db2.gz UGLHRNXMLVLQPM-GFCCVEGCSA-N 1 1 301.346 3.197 20 5 DGBDMO Cc1ccc([N+](=O)[O-])cc1[C@@H](C)[N@@H+](C)Cc1cccc(=O)[nH]1 ZINC000933399415 661632104 /nfs/dbraw/zinc/63/21/04/661632104.db2.gz UGLHRNXMLVLQPM-GFCCVEGCSA-N 1 1 301.346 3.197 20 5 DGBDMO C[C@]12CSC[C@H]1C[N@H+](Cc1c(F)cc([N+](=O)[O-])cc1F)C2 ZINC000934767135 661733112 /nfs/dbraw/zinc/73/31/12/661733112.db2.gz PQDUGHDYQRQCNV-OTYXRUKQSA-N 1 1 314.357 3.058 20 5 DGBDMO C[C@]12CSC[C@H]1C[N@@H+](Cc1c(F)cc([N+](=O)[O-])cc1F)C2 ZINC000934767135 661733114 /nfs/dbraw/zinc/73/31/14/661733114.db2.gz PQDUGHDYQRQCNV-OTYXRUKQSA-N 1 1 314.357 3.058 20 5 DGBDMO C[C@H](C[NH2+]Cc1cc(Cl)ccc1[N+](=O)[O-])N1CCCCC1 ZINC000084439913 662200855 /nfs/dbraw/zinc/20/08/55/662200855.db2.gz AVYRNXPKZJFIRL-GFCCVEGCSA-N 1 1 311.813 3.212 20 5 DGBDMO Cc1cc(C)cc(NC(=O)[C@@](C)([NH3+])c2cccc([N+](=O)[O-])c2)c1 ZINC001579581267 1191981256 /nfs/dbraw/zinc/98/12/56/1191981256.db2.gz NEERXUWVRKZLJR-KRWDZBQOSA-N 1 1 313.357 3.024 20 5 DGBDMO Cc1ccc(NC(=O)[C@@](C)([NH3+])c2cccc([N+](=O)[O-])c2)c(C)c1 ZINC001579715724 1191989048 /nfs/dbraw/zinc/98/90/48/1191989048.db2.gz IZRMIACBFJBZCS-KRWDZBQOSA-N 1 1 313.357 3.024 20 5 DGBDMO O=[N+]([O-])c1cccc(OCC[N@H+]2CCCC[C@@]23CCCOC3)c1 ZINC001620684400 1192066329 /nfs/dbraw/zinc/06/63/29/1192066329.db2.gz IXWRLQRAZVPUCJ-KRWDZBQOSA-N 1 1 320.389 3.009 20 5 DGBDMO COc1cccc(F)c1C[NH2+]Cc1cccc([N+](=O)[O-])c1C ZINC001334234257 1178739169 /nfs/dbraw/zinc/73/91/69/1178739169.db2.gz OIFBZULYCNWXJS-UHFFFAOYSA-N 1 1 304.321 3.341 20 5 DGBDMO O=C(C[N@@H+]1CC2CCC1CC2)Nc1ccc(Cl)c([N+](=O)[O-])c1 ZINC001341666525 1179045366 /nfs/dbraw/zinc/04/53/66/1179045366.db2.gz JYOQDDJCELKURU-UHFFFAOYSA-N 1 1 323.780 3.061 20 5 DGBDMO O=C(C[N@H+]1CC2CCC1CC2)Nc1ccc(Cl)c([N+](=O)[O-])c1 ZINC001341666525 1179045374 /nfs/dbraw/zinc/04/53/74/1179045374.db2.gz JYOQDDJCELKURU-UHFFFAOYSA-N 1 1 323.780 3.061 20 5 DGBDMO Cc1cc([N+](=O)[O-])c(C)cc1-c1noc([C@@H]([NH3+])CC(C)C)n1 ZINC001345958357 1179630156 /nfs/dbraw/zinc/63/01/56/1179630156.db2.gz WPKATQGMFTXQDH-LBPRGKRZSA-N 1 1 304.350 3.308 20 5 DGBDMO CO[C@@H](C[N@H+]1CCc2ccc([N+](=O)[O-])cc2C1)C1CCCC1 ZINC001347105653 1179778269 /nfs/dbraw/zinc/77/82/69/1179778269.db2.gz YLLQZZMFYVGJDB-KRWDZBQOSA-N 1 1 304.390 3.158 20 5 DGBDMO COc1c(O)ccc(C[NH2+][C@H](C)c2cc(C)oc2C)c1[N+](=O)[O-] ZINC001351975624 1180272500 /nfs/dbraw/zinc/27/25/00/1180272500.db2.gz UNUOUGDIKNVGKS-SNVBAGLBSA-N 1 1 320.345 3.370 20 5 DGBDMO O=[N+]([O-])c1ccc(NC[C@H]2CC[N@H+]2C2CCCCCC2)cn1 ZINC001458544118 1182538052 /nfs/dbraw/zinc/53/80/52/1182538052.db2.gz HFUCDIYCDZCGNT-OAHLLOKOSA-N 1 1 304.394 3.199 20 5 DGBDMO CCc1[nH+]ccn1CCNc1ccc([N+](=O)[O-])c2cccnc12 ZINC001458609516 1182543663 /nfs/dbraw/zinc/54/36/63/1182543663.db2.gz QPINVAWCAOXQRX-UHFFFAOYSA-N 1 1 311.345 3.014 20 5 DGBDMO CC(C)C[C@@H]1C[N@H+](C)CCN1c1ccc([N+](=O)[O-])cc1Cl ZINC001472885716 1183695801 /nfs/dbraw/zinc/69/58/01/1183695801.db2.gz GTFGSWVSIXVCMM-CYBMUJFWSA-N 1 1 311.813 3.415 20 5 DGBDMO CC(C)C[C@@H]1C[N@@H+](C)CCN1c1ccc([N+](=O)[O-])cc1Cl ZINC001472885716 1183695804 /nfs/dbraw/zinc/69/58/04/1183695804.db2.gz GTFGSWVSIXVCMM-CYBMUJFWSA-N 1 1 311.813 3.415 20 5 DGBDMO CCOc1cc(NCCNc2ccc(C)c[nH+]2)ccc1[N+](=O)[O-] ZINC001472884722 1183696190 /nfs/dbraw/zinc/69/61/90/1183696190.db2.gz BGKAYOXWDCPUQC-UHFFFAOYSA-N 1 1 316.361 3.221 20 5 DGBDMO C[N@H+]1CCCC[C@@H]1CNc1ncc([N+](=O)[O-])c2ccccc21 ZINC001472894175 1183697023 /nfs/dbraw/zinc/69/70/23/1183697023.db2.gz AMLOWPWGBOGWFG-GFCCVEGCSA-N 1 1 300.362 3.039 20 5 DGBDMO O=[N+]([O-])c1ccc(C[NH2+][C@@H](CCCO)c2ccccc2)c(F)c1 ZINC001473322934 1183743850 /nfs/dbraw/zinc/74/38/50/1183743850.db2.gz CHRVOGMQIOUCSN-KRWDZBQOSA-N 1 1 318.348 3.337 20 5 DGBDMO COC(=O)c1ccc([N+](=O)[O-])c(C[N@@H+](C)[C@@H]2CCCC[C@H]2C)c1 ZINC001473383002 1183750005 /nfs/dbraw/zinc/75/00/05/1183750005.db2.gz BWCFKZKNDKALHP-IUODEOHRSA-N 1 1 320.389 3.392 20 5 DGBDMO O=[N+]([O-])c1cccc(OCC[N@H+]2CCOCC23CCCCC3)c1 ZINC001473475564 1183761035 /nfs/dbraw/zinc/76/10/35/1183761035.db2.gz SUBHWKHLWGSNQM-UHFFFAOYSA-N 1 1 320.389 3.009 20 5 DGBDMO COc1cc([N+](=O)[O-])ccc1C[N@H+]1CCCC[C@@H]1[C@@H]1CCCO1 ZINC001473885510 1183819121 /nfs/dbraw/zinc/81/91/21/1183819121.db2.gz VKPJDEKATJWOCI-CVEARBPZSA-N 1 1 320.389 3.137 20 5 DGBDMO O=[N+]([O-])c1ccc(Cl)c(C[NH2+]Cc2cccc3nccn32)c1 ZINC001474069902 1183861534 /nfs/dbraw/zinc/86/15/34/1183861534.db2.gz UJUHZWWWQFRLCH-UHFFFAOYSA-N 1 1 316.748 3.186 20 5 DGBDMO Cc1ccc(NC(=O)NCCC[N@H+](C)CC(C)C)cc1[N+](=O)[O-] ZINC001475938568 1184022539 /nfs/dbraw/zinc/02/25/39/1184022539.db2.gz PWONLXQESPRZGV-UHFFFAOYSA-N 1 1 322.409 3.003 20 5 DGBDMO COc1cc(NC[C@@H]2CCCC[N@H+]2C)c(Cl)cc1[N+](=O)[O-] ZINC001559295685 1189193846 /nfs/dbraw/zinc/19/38/46/1189193846.db2.gz HUJDQNQUNSQCRQ-JTQLQIEISA-N 1 1 313.785 3.153 20 5 DGBDMO C[C@@H]1C[N@@H+](CCOc2cccc([N+](=O)[O-])c2)[C@@H]2CCCC[C@H]21 ZINC001559673442 1189229087 /nfs/dbraw/zinc/22/90/87/1189229087.db2.gz KCUFRZSSUMESNA-XOKHGSTOSA-N 1 1 304.390 3.484 20 5 DGBDMO C[C@@H]1C[N@@H+](CCOc2cccc([N+](=O)[O-])c2)[C@@H]2CCCC[C@@H]21 ZINC001559673441 1189229283 /nfs/dbraw/zinc/22/92/83/1189229283.db2.gz KCUFRZSSUMESNA-KBRIMQKVSA-N 1 1 304.390 3.484 20 5 DGBDMO CC1(C)C[N@@H+](Cc2cccnc2[N+](=O)[O-])CCc2ccccc21 ZINC001559989969 1189266494 /nfs/dbraw/zinc/26/64/94/1189266494.db2.gz CURKUKWVPDRACF-UHFFFAOYSA-N 1 1 311.385 3.326 20 5 DGBDMO Cc1cccc(C)c1C[N@@H+](C)C[C@H](O)c1ccc([N+](=O)[O-])cc1 ZINC001560181798 1189287354 /nfs/dbraw/zinc/28/73/54/1189287354.db2.gz VKZJJCPVAJTODH-SFHVURJKSA-N 1 1 314.385 3.377 20 5 DGBDMO Cc1c(CNC[C@H](C)[N@@H+]2CCC[C@H](C)C2)cccc1[N+](=O)[O-] ZINC001560265846 1189302048 /nfs/dbraw/zinc/30/20/48/1189302048.db2.gz HGLDHIOUURDTNX-KBPBESRZSA-N 1 1 305.422 3.113 20 5 DGBDMO Cc1c(CNC[C@H](C)[N@H+]2CCC[C@H](C)C2)cccc1[N+](=O)[O-] ZINC001560265846 1189302052 /nfs/dbraw/zinc/30/20/52/1189302052.db2.gz HGLDHIOUURDTNX-KBPBESRZSA-N 1 1 305.422 3.113 20 5 DGBDMO CCC[N@H+]1CCC[C@H](C(=O)Nc2cc([N+](=O)[O-])c(C)cc2C)C1 ZINC001618150524 1193726045 /nfs/dbraw/zinc/72/60/45/1193726045.db2.gz QBPIOVAUCYQNSD-AWEZNQCLSA-N 1 1 319.405 3.272 20 5 DGBDMO CC[C@@H]1CCC[C@H](C)[N@H+]1CC(=O)Nc1ccc([N+](=O)[O-])cc1C ZINC001620443339 1193769001 /nfs/dbraw/zinc/76/90/01/1193769001.db2.gz ZSCPYVFSTKUIOB-UONOGXRCSA-N 1 1 319.405 3.495 20 5 DGBDMO C[C@H]1CN(Cc2csc([N+](=O)[O-])c2)CC[N@H+]1C1CCCC1 ZINC001620583877 1193781143 /nfs/dbraw/zinc/78/11/43/1193781143.db2.gz ZHFVYQKQZCUEEH-LBPRGKRZSA-N 1 1 309.435 3.105 20 5 DGBDMO O=[N+]([O-])c1ccc(CC[N@H+]2CCCC[C@H]([C@@H]3CCOC3)C2)cc1 ZINC001620655121 1193786998 /nfs/dbraw/zinc/78/69/98/1193786998.db2.gz YQEQLWKGEHVHAF-DLBZAZTESA-N 1 1 318.417 3.276 20 5 DGBDMO O=[N+]([O-])c1ccc(C[N@H+]2CCCC[C@H]2[C@H]2CCCO2)cc1F ZINC001620669669 1193789435 /nfs/dbraw/zinc/78/94/35/1193789435.db2.gz XIFZTEUQZYCXNY-JKSUJKDBSA-N 1 1 308.353 3.267 20 5 DGBDMO C[C@H]([NH2+]Cc1cn2cccc(F)c2n1)c1cccc([N+](=O)[O-])c1 ZINC001620728196 1193795632 /nfs/dbraw/zinc/79/56/32/1193795632.db2.gz HOHZZEDVAKKQHT-NSHDSACASA-N 1 1 314.320 3.232 20 5 DGBDMO C[C@@H]([NH2+]Cc1cnc2ccccc2n1)c1ccccc1[N+](=O)[O-] ZINC001621509980 1193852180 /nfs/dbraw/zinc/85/21/80/1193852180.db2.gz JFWJACJPLSPBTP-GFCCVEGCSA-N 1 1 308.341 3.389 20 5 DGBDMO CCCC[N@@H+](C)C[C@@H](C)NC(=O)c1c(C)ccc([N+](=O)[O-])c1C ZINC001628957573 1194205556 /nfs/dbraw/zinc/20/55/56/1194205556.db2.gz ZESAQEAPSHNCDV-CYBMUJFWSA-N 1 1 321.421 3.062 20 5 DGBDMO O=[N+]([O-])c1cc(Cl)cnc1NC[C@@H]1CC[N@H+]1C1CCCCC1 ZINC001640164870 1194799723 /nfs/dbraw/zinc/79/97/23/1194799723.db2.gz CZXULVQCDKLGRT-ZDUSSCGKSA-N 1 1 324.812 3.462 20 5 DGBDMO CC[N@@H+]1[C@H](C)CN(c2ccc([N+](=O)[O-])cc2C(F)F)C[C@@H]1C ZINC001640330123 1194806927 /nfs/dbraw/zinc/80/69/27/1194806927.db2.gz NFATYUJRHIFUBA-PHIMTYICSA-N 1 1 313.348 3.451 20 5 DGBDMO C[C@@H](CNc1nc2cc([N+](=O)[O-])ccc2[nH]1)[N@H+]1CCCC[C@H]1C ZINC001642072599 1194886873 /nfs/dbraw/zinc/88/68/73/1194886873.db2.gz JQXOLDCHKUWGIG-NEPJUHHUSA-N 1 1 317.393 3.146 20 5 DGBDMO CCO[C@H]1C[C@@H]([N@@H+](C)Cc2cccnc2[N+](=O)[O-])C1(CC)CC ZINC001642126747 1194889725 /nfs/dbraw/zinc/88/97/25/1194889725.db2.gz INUUGEASNGZOMQ-CABCVRRESA-N 1 1 321.421 3.405 20 5 DGBDMO C[N@@H+](Cc1cc([N+](=O)[O-])ccc1Cl)[C@H](CO)CC(C)(C)C ZINC001643106673 1194996004 /nfs/dbraw/zinc/99/60/04/1194996004.db2.gz GYZUNBWREIWKLS-ZDUSSCGKSA-N 1 1 314.813 3.477 20 5 DGBDMO Cc1cccc(NCCNc2ncc([N+](=O)[O-])c3ccccc32)[nH+]1 ZINC001643220213 1195005959 /nfs/dbraw/zinc/00/59/59/1195005959.db2.gz QXZWLIBYDTVFPS-UHFFFAOYSA-N 1 1 323.356 3.370 20 5 DGBDMO C[N@H+]1CCCC[C@@H]1CNc1nccc2c1cccc2[N+](=O)[O-] ZINC001643275193 1195010585 /nfs/dbraw/zinc/01/05/85/1195010585.db2.gz WZACCEBOGATNJC-GFCCVEGCSA-N 1 1 300.362 3.039 20 5 DGBDMO Cc1cc(C[NH+]2CCN(c3cccc([N+](=O)[O-])c3)CC2)cs1 ZINC001644325669 1195101096 /nfs/dbraw/zinc/10/10/96/1195101096.db2.gz YUBJXYJNLQKLEF-UHFFFAOYSA-N 1 1 317.414 3.287 20 5 DGBDMO O=[N+]([O-])c1ccc(Cl)cc1C[N@@H+]1CC[C@@H](c2cnccn2)C1 ZINC001644672536 1195125743 /nfs/dbraw/zinc/12/57/43/1195125743.db2.gz OMKUJRUUYWFNKQ-LLVKDONJSA-N 1 1 318.764 3.028 20 5 DGBDMO O=[N+]([O-])c1ccc(Cl)cc1C[N@H+]1CC[C@@H](c2cnccn2)C1 ZINC001644672536 1195125745 /nfs/dbraw/zinc/12/57/45/1195125745.db2.gz OMKUJRUUYWFNKQ-LLVKDONJSA-N 1 1 318.764 3.028 20 5 DGBDMO CCC[N@@H+](C)CC(C)(C)NCc1ccc([N+](=O)[O-])cc1Cl ZINC001647840957 1195258612 /nfs/dbraw/zinc/25/86/12/1195258612.db2.gz MSLNVTLYOQZFRK-UHFFFAOYSA-N 1 1 313.829 3.458 20 5 DGBDMO O=[N+]([O-])c1ccccc1C[N@@H+]1CCC[C@]1(CO)c1ccccc1 ZINC001648635584 1195316897 /nfs/dbraw/zinc/31/68/97/1195316897.db2.gz RWBDPPDXMMHMIG-SFHVURJKSA-N 1 1 312.369 3.078 20 5 DGBDMO Cc1ccc([N+](=O)[O-])c(N2CC[N@H+](C)C3(CCCCC3)C2)c1 ZINC001651080019 1195410761 /nfs/dbraw/zinc/41/07/61/1195410761.db2.gz XBRQDRNFMTVLTE-UHFFFAOYSA-N 1 1 303.406 3.358 20 5 DGBDMO CC(C)(C)[N@H+]1CC[C@@H](Nc2nc3c(cc2[N+](=O)[O-])CCCC3)C1 ZINC001651234675 1195429788 /nfs/dbraw/zinc/42/97/88/1195429788.db2.gz MAWCWEUZANCZRX-CYBMUJFWSA-N 1 1 318.421 3.153 20 5 DGBDMO CC(C)(C)[N@H+]1CC[C@H]1CNc1nc2ccccc2cc1[N+](=O)[O-] ZINC001651234018 1195430532 /nfs/dbraw/zinc/43/05/32/1195430532.db2.gz AKNNSMDUJRSJGC-ZDUSSCGKSA-N 1 1 314.389 3.428 20 5 DGBDMO Cc1cc(NCC[N@@H+]2CCc3sccc3C2)c([N+](=O)[O-])s1 ZINC001651427110 1195459164 /nfs/dbraw/zinc/45/91/64/1195459164.db2.gz MJRLRNXAQFZCJK-UHFFFAOYSA-N 1 1 323.443 3.496 20 5 DGBDMO Cc1cc(NCC[N@H+]2CCc3sccc3C2)c([N+](=O)[O-])s1 ZINC001651427110 1195459166 /nfs/dbraw/zinc/45/91/66/1195459166.db2.gz MJRLRNXAQFZCJK-UHFFFAOYSA-N 1 1 323.443 3.496 20 5 DGBDMO Cc1[nH]c(CNc2ccc([N+](=O)[O-])c(OC(F)F)c2)c(C)[nH+]1 ZINC001651434666 1195461073 /nfs/dbraw/zinc/46/10/73/1195461073.db2.gz AWSXJKPVLPRGLD-UHFFFAOYSA-N 1 1 312.276 3.148 20 5 DGBDMO CC[C@@H](C)[N@@H+](C)CCNc1ncc([N+](=O)[O-])c2ccccc21 ZINC001651475338 1195467438 /nfs/dbraw/zinc/46/74/38/1195467438.db2.gz ISDQZHVEMJUTGI-GFCCVEGCSA-N 1 1 302.378 3.285 20 5 DGBDMO CCC(C)(C)[NH+]1CCN(c2c(F)cc([N+](=O)[O-])cc2F)CC1 ZINC001651993565 1195533355 /nfs/dbraw/zinc/53/33/55/1195533355.db2.gz YYXYECFHQSIIGR-UHFFFAOYSA-N 1 1 313.348 3.184 20 5 DGBDMO Cc1ccc([N+](=O)[O-])c(C)c1CN(C)[C@H]1CC[N@H+](C(C)C)C1 ZINC001652653795 1195632604 /nfs/dbraw/zinc/63/26/04/1195632604.db2.gz ABFZSNJLIFEDLY-HNNXBMFYSA-N 1 1 305.422 3.126 20 5 DGBDMO CC[N@@H+](Cc1ccc(C)c([N+](=O)[O-])c1)[C@@H](CO)c1ccccc1 ZINC001654616750 1195822500 /nfs/dbraw/zinc/82/25/00/1195822500.db2.gz MMYSFLHDROBALR-SFHVURJKSA-N 1 1 314.385 3.459 20 5 DGBDMO Cc1noc(C[N@@H+]2C[C@H]3[C@H](C[C@@H]3c3ccccc3)C2)c1[N+](=O)[O-] ZINC001655314282 1195903471 /nfs/dbraw/zinc/90/34/71/1195903471.db2.gz APJPWXOVJAYBNA-KFWWJZLASA-N 1 1 313.357 3.127 20 5 DGBDMO Cc1c(CN[C@@H]2CC[N@@H+](CC3CCCC3)C2)cccc1[N+](=O)[O-] ZINC001656641097 1196057233 /nfs/dbraw/zinc/05/72/33/1196057233.db2.gz BWLHKQBQUSESBD-QGZVFWFLSA-N 1 1 317.433 3.257 20 5 DGBDMO Cc1c(C[NH2+][C@@H]2CCN(CC3CCCC3)C2)cccc1[N+](=O)[O-] ZINC001656641097 1196057237 /nfs/dbraw/zinc/05/72/37/1196057237.db2.gz BWLHKQBQUSESBD-QGZVFWFLSA-N 1 1 317.433 3.257 20 5 DGBDMO Cc1ccc([N+](=O)[O-])c(C)c1CN[C@H](C)C[N@@H+]1CCC[C@@H](C)C1 ZINC001656947322 1196085646 /nfs/dbraw/zinc/08/56/46/1196085646.db2.gz UCSIVRNSMNXZLU-UKRRQHHQSA-N 1 1 319.449 3.422 20 5 DGBDMO Cc1ccc([N+](=O)[O-])c(C)c1CN[C@H](C)C[N@H+]1CCC[C@@H](C)C1 ZINC001656947322 1196085649 /nfs/dbraw/zinc/08/56/49/1196085649.db2.gz UCSIVRNSMNXZLU-UKRRQHHQSA-N 1 1 319.449 3.422 20 5 DGBDMO COC(=O)c1ccc([N+](=O)[O-])c(C[N@H+]2CCCC[C@@H]2C(C)C)c1 ZINC001657330838 1196131039 /nfs/dbraw/zinc/13/10/39/1196131039.db2.gz AJDUPTDBEQRNLK-OAHLLOKOSA-N 1 1 320.389 3.392 20 5 DGBDMO COc1c(O)ccc(C[N@H+]2C[C@H](C)[C@H]3CCCC[C@H]32)c1[N+](=O)[O-] ZINC001657525654 1196151239 /nfs/dbraw/zinc/15/12/39/1196151239.db2.gz DDEYXRQNEIWMRD-IACUBPJLSA-N 1 1 320.389 3.320 20 5 DGBDMO Cc1cccc(C)c1OC[C@@H]([NH2+]CC[N+](=O)[O-])c1ccccc1 ZINC001657936723 1196194958 /nfs/dbraw/zinc/19/49/58/1196194958.db2.gz LYARMJOHHGCRNV-QGZVFWFLSA-N 1 1 314.385 3.290 20 5 DGBDMO Cc1ccc([N+](=O)[O-])c(C)c1C[N@H+]1CC[C@H]2CSC[C@H]2C1 ZINC001658738385 1196293822 /nfs/dbraw/zinc/29/38/22/1196293822.db2.gz WPXHZRRLVVIXLR-UONOGXRCSA-N 1 1 306.431 3.397 20 5 DGBDMO O=[N+]([O-])c1ccc2c(c1)C[N@@H+](Cc1ccc3c(c1)CCCO3)CC2 ZINC001659157440 1196355103 /nfs/dbraw/zinc/35/51/03/1196355103.db2.gz XFSBCGKAXUDIKZ-UHFFFAOYSA-N 1 1 324.380 3.478 20 5 DGBDMO O=[N+]([O-])c1ccc2c(c1)C[N@H+](Cc1ccc3c(c1)CCCO3)CC2 ZINC001659157440 1196355107 /nfs/dbraw/zinc/35/51/07/1196355107.db2.gz XFSBCGKAXUDIKZ-UHFFFAOYSA-N 1 1 324.380 3.478 20 5 DGBDMO O=[N+]([O-])c1ccc(Cl)c(C[N@@H+]2CC[C@@H](c3ncccn3)C2)c1 ZINC001660351768 1196474111 /nfs/dbraw/zinc/47/41/11/1196474111.db2.gz HRTMMNVCAUAVHH-LLVKDONJSA-N 1 1 318.764 3.028 20 5 DGBDMO O=[N+]([O-])c1ccc(Cl)c(C[N@H+]2CC[C@@H](c3ncccn3)C2)c1 ZINC001660351768 1196474114 /nfs/dbraw/zinc/47/41/14/1196474114.db2.gz HRTMMNVCAUAVHH-LLVKDONJSA-N 1 1 318.764 3.028 20 5 DGBDMO Cc1ccc(C[NH2+]Cc2cc([N+](=O)[O-])ccc2OC(F)F)cn1 ZINC001660953239 1196545966 /nfs/dbraw/zinc/54/59/66/1196545966.db2.gz CUYYEIPFJXUGAH-UHFFFAOYSA-N 1 1 323.299 3.189 20 5 DGBDMO COc1ccc(C[C@H](C)[N@@H+]2CCC[C@@](C)(F)C2)c([N+](=O)[O-])c1 ZINC001170334380 1082349049 /nfs/dbraw/zinc/34/90/49/1082349049.db2.gz CTWPIURTZLUBMT-BLLLJJGKSA-N 1 1 310.369 3.358 20 5 DGBDMO COc1ccc(C[C@H](C)[N@H+]2CCC[C@@](C)(F)C2)c([N+](=O)[O-])c1 ZINC001170334380 1082349051 /nfs/dbraw/zinc/34/90/51/1082349051.db2.gz CTWPIURTZLUBMT-BLLLJJGKSA-N 1 1 310.369 3.358 20 5 DGBDMO COc1ccc(C[C@H](C)[N@H+]2CCc3occc3C2)c([N+](=O)[O-])c1 ZINC001170351807 1082358325 /nfs/dbraw/zinc/35/83/25/1082358325.db2.gz JNILGOCRPOIPIZ-LBPRGKRZSA-N 1 1 316.357 3.186 20 5 DGBDMO C[N@@H+](CCc1cccc([N+](=O)[O-])c1)Cc1ccc(O)c(F)c1F ZINC001181154608 1083421620 /nfs/dbraw/zinc/42/16/20/1083421620.db2.gz QUWZDNAIJPKUTD-UHFFFAOYSA-N 1 1 322.311 3.253 20 5 DGBDMO C[C@H]1CCCC[N@H+]1CCCNc1c(Cl)nccc1[N+](=O)[O-] ZINC001167751149 1083622408 /nfs/dbraw/zinc/62/24/08/1083622408.db2.gz IHHSPBOWDPSDSM-NSHDSACASA-N 1 1 312.801 3.320 20 5 DGBDMO Cc1ccc([N+](=O)[O-])c(NCC(C)(C)[N@@H+]2C[C@@H](C)O[C@@H](C)C2)c1 ZINC001184711676 1084244779 /nfs/dbraw/zinc/24/47/79/1084244779.db2.gz YKSPCUPRNUUGCW-OKILXGFUSA-N 1 1 321.421 3.203 20 5 DGBDMO CC[N@H+]1CCN(c2ncc([N+](=O)[O-])c3ccccc32)C(C)(C)C1 ZINC001158562749 1087913750 /nfs/dbraw/zinc/91/37/50/1087913750.db2.gz IXUPSFKMMRUFBO-UHFFFAOYSA-N 1 1 314.389 3.064 20 5 DGBDMO C[N@H+]1CCC[C@H](CCNc2ccc3c(cccc3[N+](=O)[O-])n2)C1 ZINC001156377528 1089494270 /nfs/dbraw/zinc/49/42/70/1089494270.db2.gz AFIIJEGFLCPQSQ-CYBMUJFWSA-N 1 1 314.389 3.287 20 5 DGBDMO Cc1[nH+]c(N)ccc1CNc1ncc([N+](=O)[O-])c2ccccc21 ZINC001156974705 1089769820 /nfs/dbraw/zinc/76/98/20/1089769820.db2.gz RIPODZOZNUMKIE-UHFFFAOYSA-N 1 1 309.329 3.041 20 5 DGBDMO C[N@@H+]1CCO[C@H](CNc2nc3ccccc3c3ccccc32)C1 ZINC001162694064 1089885992 /nfs/dbraw/zinc/88/59/92/1089885992.db2.gz LWNJBYIJOLOWQO-CQSZACIVSA-N 1 1 307.397 3.131 20 5 DGBDMO C[N@H+]1CCO[C@H](CNc2nc3ccccc3c3ccccc32)C1 ZINC001162694064 1089886005 /nfs/dbraw/zinc/88/60/05/1089886005.db2.gz LWNJBYIJOLOWQO-CQSZACIVSA-N 1 1 307.397 3.131 20 5 DGBDMO CC(C)C[N@@H+](C)CCCNc1ccc([N+](=O)[O-])c(OC(C)C)n1 ZINC001163657202 1090224955 /nfs/dbraw/zinc/22/49/55/1090224955.db2.gz UOEVOLNLKZPDRC-UHFFFAOYSA-N 1 1 324.425 3.167 20 5 DGBDMO Cc1[nH+]ccn1CCNc1cc2cccnc2c2ncccc12 ZINC001163928837 1090290043 /nfs/dbraw/zinc/29/00/43/1090290043.db2.gz MXIIHKBRSWFPNY-UHFFFAOYSA-N 1 1 303.369 3.400 20 5 DGBDMO C[N@H+]1CCC[C@@H](CCNc2cc3cc[nH]c3c([N+](=O)[O-])c2)C1 ZINC001165278704 1090494985 /nfs/dbraw/zinc/49/49/85/1090494985.db2.gz KRFNUEBWNSULDC-LBPRGKRZSA-N 1 1 302.378 3.220 20 5 DGBDMO N[C@@H]1C[N@H+](Cc2ccc3ccc4cccc5ccc2c3c45)C[C@H]1O ZINC001205346692 1091194823 /nfs/dbraw/zinc/19/48/23/1091194823.db2.gz DBCACGVNHSNHJD-RTBURBONSA-N 1 1 316.404 3.088 20 5 DGBDMO N[C@@H]1C[N@@H+](Cc2ccc3ccc4cccc5ccc2c3c45)C[C@H]1O ZINC001205346692 1091194830 /nfs/dbraw/zinc/19/48/30/1091194830.db2.gz DBCACGVNHSNHJD-RTBURBONSA-N 1 1 316.404 3.088 20 5 DGBDMO Cc1ccc(N2CC[N@@H+](C3CCCC3)[C@H](C)C2)c([N+](=O)[O-])c1 ZINC001307210490 1091737532 /nfs/dbraw/zinc/73/75/32/1091737532.db2.gz NKGIDQRDQGUFEZ-CQSZACIVSA-N 1 1 303.406 3.356 20 5 DGBDMO 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AQTCYOZZRGLHEX-SUMWQHHRSA-N 1 1 301.390 3.048 20 5 DGBDMO C[C@H](Cc1ccccc1[N+](=O)[O-])[N@H+]1CC[C@@H]2OCCC[C@H]2C1 ZINC001254550579 1106101585 /nfs/dbraw/zinc/10/15/85/1106101585.db2.gz MGXFMJHEDDKNSS-KMFMINBZSA-N 1 1 304.390 3.027 20 5 DGBDMO C[C@@H](Cc1ccccc1[N+](=O)[O-])[N@H+]1CC(C)(C)C[C@@]1(C)CO ZINC001254551470 1106101868 /nfs/dbraw/zinc/10/18/68/1106101868.db2.gz BOYDKJWKOAKTDC-GUYCJALGSA-N 1 1 306.406 3.009 20 5 DGBDMO CCC[N@H+](CCCN(C)C)[C@@H](C)Cc1ccccc1[N+](=O)[O-] ZINC001254567984 1106106187 /nfs/dbraw/zinc/10/61/87/1106106187.db2.gz DTCJZZSADUGAQR-HNNXBMFYSA-N 1 1 307.438 3.190 20 5 DGBDMO CCC[N@@H+](CCCN(C)C)[C@@H](C)Cc1ccccc1[N+](=O)[O-] ZINC001254567984 1106106191 /nfs/dbraw/zinc/10/61/91/1106106191.db2.gz DTCJZZSADUGAQR-HNNXBMFYSA-N 1 1 307.438 3.190 20 5 DGBDMO O=[N+]([O-])c1ccc2c(c1)C[C@@H]([N@H+]1CCC[C@H]1c1ccncc1)C2 ZINC001254599577 1106110811 /nfs/dbraw/zinc/11/08/11/1106110811.db2.gz MUVHCBFZHNOEAA-ROUUACIJSA-N 1 1 309.369 3.294 20 5 DGBDMO O=[N+]([O-])c1ccc2c(c1)C[C@@H]([N@H+]1CCC[C@@H]1c1cccnc1)C2 ZINC001254597309 1106110936 /nfs/dbraw/zinc/11/09/36/1106110936.db2.gz HBDYJHFDBHRMPE-ZWKOTPCHSA-N 1 1 309.369 3.294 20 5 DGBDMO O=[N+]([O-])c1ccc2c(c1)C[C@@H]([N@H+]1CC[C@H](F)C(F)(F)CC1)C2 ZINC001254600966 1106111537 /nfs/dbraw/zinc/11/15/37/1106111537.db2.gz XINNRNQVCJTTGW-KBPBESRZSA-N 1 1 314.307 3.131 20 5 DGBDMO O=[N+]([O-])c1ccc2c(c1)C[C@H]([N@H+]1CC[C@H](F)C(F)(F)CC1)C2 ZINC001254600968 1106111596 /nfs/dbraw/zinc/11/15/96/1106111596.db2.gz XINNRNQVCJTTGW-KGLIPLIRSA-N 1 1 314.307 3.131 20 5 DGBDMO O=[N+]([O-])c1ccc2c(c1)C[C@@H]([N@H+]1CCc3ccc(F)cc3C1)C2 ZINC001254604781 1106111612 /nfs/dbraw/zinc/11/16/12/1106111612.db2.gz XNAYPJDAWPWGNM-SFHVURJKSA-N 1 1 312.344 3.259 20 5 DGBDMO O=[N+]([O-])c1ccc2c(c1)C[C@@H]([N@H+]1CCc3ccsc3C1)C2 ZINC001254600726 1106111789 /nfs/dbraw/zinc/11/17/89/1106111789.db2.gz QXYNPBMZXFELJJ-HNNXBMFYSA-N 1 1 300.383 3.182 20 5 DGBDMO COc1ccc2c(c1)C[N@@H+]([C@H]1Cc3ccc([N+](=O)[O-])cc3C1)C2 ZINC001254602281 1106111851 /nfs/dbraw/zinc/11/18/51/1106111851.db2.gz CMJBNJYVMMGFOX-KRWDZBQOSA-N 1 1 310.353 3.086 20 5 DGBDMO O=[N+]([O-])c1ccc2cnn(C[N@H+]3CC[C@H]4CCCC[C@@H]4C3)c2c1 ZINC001317668141 1107587571 /nfs/dbraw/zinc/58/75/71/1107587571.db2.gz OCIZOKIDCCTYEW-UKRRQHHQSA-N 1 1 314.389 3.414 20 5 DGBDMO Cc1cc(C)c(C[S@](=O)c2cccc([N+](=O)[O-])c2)c(C)[nH+]1 ZINC001262166797 1107635852 /nfs/dbraw/zinc/63/58/52/1107635852.db2.gz OZOBYOQPAQLLRL-NRFANRHFSA-N 1 1 304.371 3.223 20 5 DGBDMO O=[N+]([O-])c1ccc2c(cnn2C[N@H+]2CC[C@@H]3CCCC[C@@H]3C2)c1 ZINC001324990906 1108552683 /nfs/dbraw/zinc/55/26/83/1108552683.db2.gz UOCHCYBKHQWYFL-UONOGXRCSA-N 1 1 314.389 3.414 20 5 DGBDMO O=[N+]([O-])c1ccc(Cl)c(Cl)c1N1CC([NH+]2CCCC2)C1 ZINC001307161682 1111273466 /nfs/dbraw/zinc/27/34/66/1111273466.db2.gz OOBUAWOSNMTRLT-UHFFFAOYSA-N 1 1 316.188 3.186 20 5 DGBDMO CC[C@@H]1C[N@@H+](CCCOc2ccc([N+](=O)[O-])cc2)[C@H](CC)CO1 ZINC001307908520 1111354511 /nfs/dbraw/zinc/35/45/11/1111354511.db2.gz QMQFDEWZDDLTRF-GDBMZVCRSA-N 1 1 322.405 3.253 20 5 DGBDMO O=[N+]([O-])c1ccn(CC[N@H+]2CCC[C@H](C3CCCCC3)C2)n1 ZINC001307957155 1111360029 /nfs/dbraw/zinc/36/00/29/1111360029.db2.gz CEFXZVTZGXXILQ-HNNXBMFYSA-N 1 1 306.410 3.084 20 5 DGBDMO CCC[C@H]1CCC[N@H+]1CCC(=O)Nc1ccc([N+](=O)[O-])cc1C ZINC001308137506 1111383490 /nfs/dbraw/zinc/38/34/90/1111383490.db2.gz XNEKUWBRFPPCRI-AWEZNQCLSA-N 1 1 319.405 3.496 20 5 DGBDMO Cc1ccc(CNC[C@H](C)[N@@H+]2CCCC[C@H]2C)cc1[N+](=O)[O-] ZINC001308201918 1111396620 /nfs/dbraw/zinc/39/66/20/1111396620.db2.gz XEOMIROWSHDPDV-CABCVRRESA-N 1 1 305.422 3.256 20 5 DGBDMO Cc1ccc(CNC[C@H](C)[N@H+]2CCCC[C@H]2C)cc1[N+](=O)[O-] ZINC001308201918 1111396622 /nfs/dbraw/zinc/39/66/22/1111396622.db2.gz XEOMIROWSHDPDV-CABCVRRESA-N 1 1 305.422 3.256 20 5 DGBDMO Cc1cccc2nc(C[NH2+]Cc3cccc([N+](=O)[O-])c3C)cn21 ZINC001308262517 1111407177 /nfs/dbraw/zinc/40/71/77/1111407177.db2.gz ORQHTPDRVPSSDV-UHFFFAOYSA-N 1 1 310.357 3.149 20 5 DGBDMO CC[C@@H]([NH2+]Cc1ccnc(OC)c1F)c1cccc([N+](=O)[O-])c1 ZINC001308334615 1111417583 /nfs/dbraw/zinc/41/75/83/1111417583.db2.gz ZQGDUBLXQNCOOY-CQSZACIVSA-N 1 1 319.336 3.378 20 5 DGBDMO COc1c(O)ccc(C[N@H+]2CCC3(C2)CCCCC3)c1[N+](=O)[O-] ZINC001308562564 1111444689 /nfs/dbraw/zinc/44/46/89/1111444689.db2.gz FZHDOXIRLNSNBB-UHFFFAOYSA-N 1 1 320.389 3.465 20 5 DGBDMO Cc1ccc([N+](=O)[O-])c(C)c1C[N@@H+]1CC[C@@H]2[C@H](CCC[NH+]2C)C1 ZINC001308570249 1111445465 /nfs/dbraw/zinc/44/54/65/1111445465.db2.gz KTWJHLWILSYZFU-CRAIPNDOSA-N 1 1 317.433 3.128 20 5 DGBDMO Cc1ccc([N+](=O)[O-])c(C)c1C[N@H+]1CC[C@@H]2[C@H](CCC[NH+]2C)C1 ZINC001308570249 1111445467 /nfs/dbraw/zinc/44/54/67/1111445467.db2.gz KTWJHLWILSYZFU-CRAIPNDOSA-N 1 1 317.433 3.128 20 5 DGBDMO Cc1ccc([N+](=O)[O-])c(C)c1CN1CC[C@@H]2[C@H](CCC[N@H+]2C)C1 ZINC001308570249 1111445469 /nfs/dbraw/zinc/44/54/69/1111445469.db2.gz KTWJHLWILSYZFU-CRAIPNDOSA-N 1 1 317.433 3.128 20 5 DGBDMO Cc1ccc([N+](=O)[O-])c(C)c1CN1CC[C@@H]2[C@H](CCC[N@@H+]2C)C1 ZINC001308570249 1111445472 /nfs/dbraw/zinc/44/54/72/1111445472.db2.gz KTWJHLWILSYZFU-CRAIPNDOSA-N 1 1 317.433 3.128 20 5 DGBDMO CSC(C)(C)CC[NH+]1CC(Oc2ccc([N+](=O)[O-])cc2)C1 ZINC001308808628 1111477793 /nfs/dbraw/zinc/47/77/93/1111477793.db2.gz ANIAMEVVYMAAPV-UHFFFAOYSA-N 1 1 310.419 3.190 20 5 DGBDMO Cc1cc(NC(=O)NCCC[N@H+](C)CC(C)C)ccc1[N+](=O)[O-] ZINC001310488696 1111561907 /nfs/dbraw/zinc/56/19/07/1111561907.db2.gz ZPYOQIAVVWUXPP-UHFFFAOYSA-N 1 1 322.409 3.003 20 5 DGBDMO O=[N+]([O-])c1ccc(N[C@H]2CC[N@H+]3CCC[C@@H]3C2)c2ncccc12 ZINC000322725265 231211610 /nfs/dbraw/zinc/21/16/10/231211610.db2.gz RYSHNCULIGFMBU-QWHCGFSZSA-N 1 1 312.373 3.182 20 5 DGBDMO Cc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@@H+]1CCC[C@H](C)CC1 ZINC000063309313 432004723 /nfs/dbraw/zinc/00/47/23/432004723.db2.gz NUNXVOMHXXNNRR-ZDUSSCGKSA-N 1 1 319.405 3.354 20 5 DGBDMO COc1cc(C[N@@H+](C)CC2CCCC2)c([N+](=O)[O-])cc1OC ZINC000092667286 185332387 /nfs/dbraw/zinc/33/23/87/185332387.db2.gz QZFSGHHBSLJJOS-UHFFFAOYSA-N 1 1 308.378 3.234 20 5 DGBDMO C[N@@H+](CCc1ccc2c(c1)CCO2)Cc1ccccc1[N+](=O)[O-] ZINC000173471169 529933382 /nfs/dbraw/zinc/93/33/82/529933382.db2.gz RCDRQBKVDBHVEX-UHFFFAOYSA-N 1 1 312.369 3.204 20 5 DGBDMO CC[C@@H](c1ccncc1)[N@@H+](C)CCOc1ccccc1[N+](=O)[O-] ZINC000130146559 432015969 /nfs/dbraw/zinc/01/59/69/432015969.db2.gz HHRAKLXFHXFTTC-HNNXBMFYSA-N 1 1 315.373 3.452 20 5 DGBDMO C[N@@H+](C/C=C/c1ccccc1[N+](=O)[O-])C[C@H]1CCCC[C@H]1O ZINC000272675231 210079154 /nfs/dbraw/zinc/07/91/54/210079154.db2.gz UMUMSBGGJISXID-KIBVIPRGSA-N 1 1 304.390 3.091 20 5 DGBDMO Cn1ccnc1[C@@H]([NH2+][C@@H]1CCC1(C)C)c1ccc([N+](=O)[O-])cc1 ZINC000287015610 219270667 /nfs/dbraw/zinc/27/06/67/219270667.db2.gz KVTLJOCBVISGRI-CABCVRRESA-N 1 1 314.389 3.196 20 5 DGBDMO COCCCCC[N@@H+](C)Cc1cc([N+](=O)[O-])ccc1Cl ZINC000172011055 198025633 /nfs/dbraw/zinc/02/56/33/198025633.db2.gz QJLMSWPDXJSXEN-UHFFFAOYSA-N 1 1 300.786 3.497 20 5 DGBDMO O=[N+]([O-])c1ccc(Cl)c(C[NH+]2CCC(n3ccnc3)CC2)c1 ZINC000172180125 198053599 /nfs/dbraw/zinc/05/35/99/198053599.db2.gz YLTYODJXFIHKMX-UHFFFAOYSA-N 1 1 320.780 3.282 20 5 DGBDMO Cn1cccc1[C@@H]1CCC[N@H+]1CCOc1ccc([N+](=O)[O-])cc1 ZINC000067386519 432030511 /nfs/dbraw/zinc/03/05/11/432030511.db2.gz VJZOLWVCWQIRJS-KRWDZBQOSA-N 1 1 315.373 3.149 20 5 DGBDMO COc1cc(C[N@@H+](C)C2CCC2)c([N+](=O)[O-])cc1OC(F)F ZINC000173915512 198268584 /nfs/dbraw/zinc/26/85/84/198268584.db2.gz RQUYUQKDNQCMDW-UHFFFAOYSA-N 1 1 316.304 3.189 20 5 DGBDMO CCCC[N@@H+](CC)[C@H](C)C(=O)Nc1ccc(OC)cc1[N+](=O)[O-] ZINC000131882376 432041046 /nfs/dbraw/zinc/04/10/46/432041046.db2.gz GRJYBOOIRCZTHN-GFCCVEGCSA-N 1 1 323.393 3.052 20 5 DGBDMO C[C@@H]1CCC[C@H](C)[N@@H+]1Cc1nnc(-c2ccc([N+](=O)[O-])cc2)o1 ZINC000075021062 191409787 /nfs/dbraw/zinc/40/97/87/191409787.db2.gz ICSLWHHSLDMSCH-TXEJJXNPSA-N 1 1 316.361 3.408 20 5 DGBDMO CC(C)[N@H+](CC[C@H]1CCC[NH+]1C)Cc1ccc([N+](=O)[O-])cc1 ZINC000179409408 432056996 /nfs/dbraw/zinc/05/69/96/432056996.db2.gz DRLSXUWVQXXODM-MRXNPFEDSA-N 1 1 305.422 3.290 20 5 DGBDMO CC(C)[N@@H+](CC[C@H]1CCC[NH+]1C)Cc1ccc([N+](=O)[O-])cc1 ZINC000179409408 432056997 /nfs/dbraw/zinc/05/69/97/432056997.db2.gz DRLSXUWVQXXODM-MRXNPFEDSA-N 1 1 305.422 3.290 20 5 DGBDMO C[N@H+]1CCC[C@H]2CN(c3ccc([N+](=O)[O-])cc3Cl)CC[C@@H]21 ZINC000133473033 432064538 /nfs/dbraw/zinc/06/45/38/432064538.db2.gz QBSMDZVHCLJBMR-FZMZJTMJSA-N 1 1 309.797 3.169 20 5 DGBDMO C[C@H]1C[N@@H+](Cc2ccc(-c3cccc([N+](=O)[O-])c3)o2)CCCO1 ZINC000179398568 199028380 /nfs/dbraw/zinc/02/83/80/199028380.db2.gz PKYTXIOWPRDTFN-ZDUSSCGKSA-N 1 1 316.357 3.466 20 5 DGBDMO C[C@@H](O)[C@@H]1CC[N@@H+](Cc2ccc(-c3ccc([N+](=O)[O-])cc3)o2)C1 ZINC000180855467 199219050 /nfs/dbraw/zinc/21/90/50/199219050.db2.gz TYYKGGJQOJHHKN-TZMCWYRMSA-N 1 1 316.357 3.058 20 5 DGBDMO COc1ccc(C[N@H+]2CCCC[C@H](SC)C2)cc1[N+](=O)[O-] ZINC000134579886 432080103 /nfs/dbraw/zinc/08/01/03/432080103.db2.gz UBPLMXDGPPFGNN-ZDUSSCGKSA-N 1 1 310.419 3.321 20 5 DGBDMO O=[N+]([O-])c1cccc(-c2ccc(C[N@@H+]3CCC[C@H]3CCO)o2)c1 ZINC000428472706 238022744 /nfs/dbraw/zinc/02/27/44/238022744.db2.gz JGOXMHOBDKCUCV-AWEZNQCLSA-N 1 1 316.357 3.202 20 5 DGBDMO CN(C)CC[N@@H+](C/C=C\c1ccccc1[N+](=O)[O-])C1CCCC1 ZINC000428095987 238009000 /nfs/dbraw/zinc/00/90/00/238009000.db2.gz AOXMYHBTGYJDBI-CLFYSBASSA-N 1 1 317.433 3.414 20 5 DGBDMO C[NH+](C)CCN(C/C=C\c1ccccc1[N+](=O)[O-])C1CCCC1 ZINC000428095987 238009001 /nfs/dbraw/zinc/00/90/01/238009001.db2.gz AOXMYHBTGYJDBI-CLFYSBASSA-N 1 1 317.433 3.414 20 5 DGBDMO COc1ccc(OCC[N@@H+](C)[C@H]2CC[C@@H](C)C2)c([N+](=O)[O-])c1 ZINC000429575847 238056124 /nfs/dbraw/zinc/05/61/24/238056124.db2.gz AWLMRIHPGJPPHF-OLZOCXBDSA-N 1 1 308.378 3.103 20 5 DGBDMO Cc1[nH+]ccn1CCCN(C)c1cc(C)c([N+](=O)[O-])cc1F ZINC000292759731 223233622 /nfs/dbraw/zinc/23/36/22/223233622.db2.gz WANFXINWNRJXRF-UHFFFAOYSA-N 1 1 306.341 3.074 20 5 DGBDMO Cn1nccc1[C@H]1CCCC[N@H+]1CCc1ccc([N+](=O)[O-])cc1 ZINC000281492488 216339105 /nfs/dbraw/zinc/33/91/05/216339105.db2.gz TVMRLUJWSOUKMS-QGZVFWFLSA-N 1 1 314.389 3.098 20 5 DGBDMO COc1ccc(OCC[N@H+]2CCC[C@H]2C2CCC2)c([N+](=O)[O-])c1 ZINC000441488577 239058088 /nfs/dbraw/zinc/05/80/88/239058088.db2.gz NDNOLEWLYNLBBR-HNNXBMFYSA-N 1 1 320.389 3.247 20 5 DGBDMO Cc1cc(F)ccc1C[NH2+]Cc1nc2cc([N+](=O)[O-])ccc2[nH]1 ZINC000446842566 239578223 /nfs/dbraw/zinc/57/82/23/239578223.db2.gz XDLGAMAPFKHPFD-UHFFFAOYSA-N 1 1 314.320 3.208 20 5 DGBDMO C[C@@H](Cc1ccccc1[N+](=O)[O-])N[C@@H]1CC[N@@H+](C2CCCC2)C1 ZINC000449123207 240027619 /nfs/dbraw/zinc/02/76/19/240027619.db2.gz BNZFODZLUVYBPW-GOEBONIOSA-N 1 1 317.433 3.132 20 5 DGBDMO C[C@@H](Cc1ccccc1[N+](=O)[O-])N[C@@H]1CC[N@H+](C2CCCC2)C1 ZINC000449123207 240027622 /nfs/dbraw/zinc/02/76/22/240027622.db2.gz BNZFODZLUVYBPW-GOEBONIOSA-N 1 1 317.433 3.132 20 5 DGBDMO COC[C@@]1(C)CC[N@@H+](C/C(C)=C\c2cccc([N+](=O)[O-])c2)C1 ZINC000449393264 240170855 /nfs/dbraw/zinc/17/08/55/240170855.db2.gz LYBGGWHJIGWYBJ-DZXKJOIRSA-N 1 1 304.390 3.357 20 5 DGBDMO Cc1nn(C)cc1C[N@H+]1CCC[C@@H](c2ccc([N+](=O)[O-])cc2)C1 ZINC000449498489 240247691 /nfs/dbraw/zinc/24/76/91/240247691.db2.gz KSQWWMGSDAYKLY-OAHLLOKOSA-N 1 1 314.389 3.016 20 5 DGBDMO O=[N+]([O-])c1ccc([C@@H]2CCC[N@@H+](C[C@H]3CCCOC3)C2)cc1 ZINC000449499636 240247832 /nfs/dbraw/zinc/24/78/32/240247832.db2.gz MJSVVWOCZXBIRC-GDBMZVCRSA-N 1 1 304.390 3.201 20 5 DGBDMO C[N@@H+](C/C=C/c1ccccc1[N+](=O)[O-])[C@@H](CO)CC(C)(C)C ZINC000449581837 240304764 /nfs/dbraw/zinc/30/47/64/240304764.db2.gz CETNNYDBRFCAAS-LOWQCSRCSA-N 1 1 306.406 3.337 20 5 DGBDMO CCOc1ccc([N+](=O)[O-])cc1C[N@H+]1CC[C@@H](OC)C(C)(C)C1 ZINC000449504895 240252942 /nfs/dbraw/zinc/25/29/42/240252942.db2.gz WONUJQMFXMPURM-MRXNPFEDSA-N 1 1 322.405 3.240 20 5 DGBDMO CO[C@H]1C[C@@H]([N@@H+](C)Cc2ccc([N+](=O)[O-])cc2F)C12CCC2 ZINC000449631309 240332060 /nfs/dbraw/zinc/33/20/60/240332060.db2.gz KHHGQSBKKVKSAN-CABCVRRESA-N 1 1 308.353 3.123 20 5 DGBDMO C[NH+]1CCC[C@@H]1CC[N@H+]1CCC[C@H](c2ccc([N+](=O)[O-])cc2)C1 ZINC000451543772 241166023 /nfs/dbraw/zinc/16/60/23/241166023.db2.gz CRQLBOKWMBNBTN-DLBZAZTESA-N 1 1 317.433 3.259 20 5 DGBDMO C[N@@H+]1CCC[C@@H]1CCN1CCC[C@H](c2ccc([N+](=O)[O-])cc2)C1 ZINC000451543772 241166028 /nfs/dbraw/zinc/16/60/28/241166028.db2.gz CRQLBOKWMBNBTN-DLBZAZTESA-N 1 1 317.433 3.259 20 5 DGBDMO C[N@H+]1CCC[C@@H]1CCN1CCC[C@H](c2ccc([N+](=O)[O-])cc2)C1 ZINC000451543772 241166030 /nfs/dbraw/zinc/16/60/30/241166030.db2.gz CRQLBOKWMBNBTN-DLBZAZTESA-N 1 1 317.433 3.259 20 5 DGBDMO O=[N+]([O-])c1cccc(Cl)c1C[N@H+]1CC[C@@H]2C[C@@H](O)CC[C@H]2C1 ZINC000451696111 241209633 /nfs/dbraw/zinc/20/96/33/241209633.db2.gz FTFINYPTJRZMDV-AGIUHOORSA-N 1 1 324.808 3.231 20 5 DGBDMO COc1cc([N+](=O)[O-])ccc1C[N@H+]1CCC[C@]2(CCSC2)C1 ZINC000451964490 241284684 /nfs/dbraw/zinc/28/46/84/241284684.db2.gz JJYDZPZTSVHFOK-INIZCTEOSA-N 1 1 322.430 3.323 20 5 DGBDMO C[C@@H]1C[N@@H+](Cc2ccc(-c3ccc([N+](=O)[O-])cc3)o2)CC[C@@H]1O ZINC000190062689 432118707 /nfs/dbraw/zinc/11/87/07/432118707.db2.gz XEXMEHOSGSGYLB-WBMJQRKESA-N 1 1 316.357 3.058 20 5 DGBDMO CC[C@H]1C[N@@H+](C/C(C)=C/c2cccc([N+](=O)[O-])c2)CCCO1 ZINC000467558497 244001736 /nfs/dbraw/zinc/00/17/36/244001736.db2.gz BPDWZCWRZRFQPY-SHRNQRGKSA-N 1 1 304.390 3.499 20 5 DGBDMO CCC[N@@H+](C/C(C)=C/c1cccc([N+](=O)[O-])c1)CC(C)(C)O ZINC000470175907 244153913 /nfs/dbraw/zinc/15/39/13/244153913.db2.gz TVCIKRKJFPKXFA-GXDHUFHOSA-N 1 1 306.406 3.481 20 5 DGBDMO C/C(=C\c1cccc([N+](=O)[O-])c1)C[N@@H+]1CCO[C@@H](C(C)C)C1 ZINC000470207273 244158833 /nfs/dbraw/zinc/15/88/33/244158833.db2.gz CCZCUFQDSPIXQD-RKCSUWQLSA-N 1 1 304.390 3.355 20 5 DGBDMO C/C(=C\c1cccc([N+](=O)[O-])c1)C[N@H+]1CCO[C@@H](C(C)C)C1 ZINC000470207273 244158836 /nfs/dbraw/zinc/15/88/36/244158836.db2.gz CCZCUFQDSPIXQD-RKCSUWQLSA-N 1 1 304.390 3.355 20 5 DGBDMO O=[N+]([O-])c1cccc(Cl)c1C[N@@H+]1CCC[C@H](n2cccn2)C1 ZINC000118945851 284130207 /nfs/dbraw/zinc/13/02/07/284130207.db2.gz SHKXYLCXMREFBH-LBPRGKRZSA-N 1 1 320.780 3.282 20 5 DGBDMO O=[N+]([O-])c1cccc(Cl)c1C[N@H+]1CCC[C@H](n2cccn2)C1 ZINC000118945851 284130208 /nfs/dbraw/zinc/13/02/08/284130208.db2.gz SHKXYLCXMREFBH-LBPRGKRZSA-N 1 1 320.780 3.282 20 5 DGBDMO C[C@@H]1C[C@@H](O)C[N@H+]1Cc1ccc(-c2ccccc2[N+](=O)[O-])s1 ZINC000471813653 244252253 /nfs/dbraw/zinc/25/22/53/244252253.db2.gz ZVXUGUKFNNBXFA-VXGBXAGGSA-N 1 1 318.398 3.278 20 5 DGBDMO C[N@H+](CCc1ccncc1)Cc1c(Cl)cccc1[N+](=O)[O-] ZINC000119605491 284146680 /nfs/dbraw/zinc/14/66/80/284146680.db2.gz RHJPIUVSWKMWJF-UHFFFAOYSA-N 1 1 305.765 3.318 20 5 DGBDMO C[N@@H+](CCc1ccncc1)Cc1c(Cl)cccc1[N+](=O)[O-] ZINC000119605491 284146682 /nfs/dbraw/zinc/14/66/82/284146682.db2.gz RHJPIUVSWKMWJF-UHFFFAOYSA-N 1 1 305.765 3.318 20 5 DGBDMO CC(C)c1ccc(C[N@@H+]2CCC[C@H]2C[C@@H](C)O)cc1[N+](=O)[O-] ZINC000093482742 193258046 /nfs/dbraw/zinc/25/80/46/193258046.db2.gz GFBNFFRROAJBOA-HIFRSBDPSA-N 1 1 306.406 3.454 20 5 DGBDMO CCC[N@@H+](C)C[C@H]1CCN(C/C=C/c2ccccc2[N+](=O)[O-])C1 ZINC000093742000 193297962 /nfs/dbraw/zinc/29/79/62/193297962.db2.gz VKMRFIZLRIGSPS-IQIBNGDESA-N 1 1 317.433 3.272 20 5 DGBDMO CCC[C@@H]1CCC[N@H+](CC(=O)Nc2c(C)cccc2[N+](=O)[O-])C1 ZINC000120926126 284182254 /nfs/dbraw/zinc/18/22/54/284182254.db2.gz CIRIVQGKDQJYOC-CQSZACIVSA-N 1 1 319.405 3.354 20 5 DGBDMO CCC[C@@H]1CCC[N@@H+](CC(=O)Nc2c(C)cccc2[N+](=O)[O-])C1 ZINC000120926126 284182255 /nfs/dbraw/zinc/18/22/55/284182255.db2.gz CIRIVQGKDQJYOC-CQSZACIVSA-N 1 1 319.405 3.354 20 5 DGBDMO CC(C)n1ccc(C[N@H+](C)CCc2cccc([N+](=O)[O-])c2)n1 ZINC000282448190 217002534 /nfs/dbraw/zinc/00/25/34/217002534.db2.gz LQDXQVDYAANHHV-UHFFFAOYSA-N 1 1 302.378 3.047 20 5 DGBDMO CC(C)n1ccc(C[N@@H+](C)CCc2cccc([N+](=O)[O-])c2)n1 ZINC000282448190 217002535 /nfs/dbraw/zinc/00/25/35/217002535.db2.gz LQDXQVDYAANHHV-UHFFFAOYSA-N 1 1 302.378 3.047 20 5 DGBDMO COCC[N@@H+](Cc1ccc(OC)c([N+](=O)[O-])c1)[C@@H]1CCC[C@H]1C ZINC000488062780 245140570 /nfs/dbraw/zinc/14/05/70/245140570.db2.gz OTCVHTXPPZYQFR-UKRRQHHQSA-N 1 1 322.405 3.240 20 5 DGBDMO C[N@@H+](CCc1cccc([N+](=O)[O-])c1)Cc1cccc(Cl)n1 ZINC000282524851 217062011 /nfs/dbraw/zinc/06/20/11/217062011.db2.gz UJDQEXMXYXDLJG-UHFFFAOYSA-N 1 1 305.765 3.318 20 5 DGBDMO CC(C)C[N@@H+](CCC(=O)Nc1ccccc1[N+](=O)[O-])C1CC1 ZINC000282739417 217215477 /nfs/dbraw/zinc/21/54/77/217215477.db2.gz RNIKZUXJHWUOTN-UHFFFAOYSA-N 1 1 305.378 3.044 20 5 DGBDMO CC[N@H+]1CC[C@@H](NCc2cc([N+](=O)[O-])ccc2Cl)[C@@H](C)C1 ZINC000266131119 205123671 /nfs/dbraw/zinc/12/36/71/205123671.db2.gz DBKNDJGVXUIIET-XHDPSFHLSA-N 1 1 311.813 3.068 20 5 DGBDMO Cc1c(C[N@H+]2CCC[C@H](OCC3CC3)C2)cccc1[N+](=O)[O-] ZINC000494657014 246177290 /nfs/dbraw/zinc/17/72/90/246177290.db2.gz YBDNAIJNYXDHLG-INIZCTEOSA-N 1 1 304.390 3.294 20 5 DGBDMO CCOc1cccc(NCCCn2cc[nH+]c2C)c1[N+](=O)[O-] ZINC000273891854 211149572 /nfs/dbraw/zinc/14/95/72/211149572.db2.gz UDFRDABUGYLINU-UHFFFAOYSA-N 1 1 304.350 3.001 20 5 DGBDMO O=[N+]([O-])c1ccccc1/C=C/C[N@H+]1CCC[C@H]1[C@H]1CCCO1 ZINC000284924342 218236398 /nfs/dbraw/zinc/23/63/98/218236398.db2.gz GPJSJSHQFOUPGI-LJIZSIIESA-N 1 1 302.374 3.251 20 5 DGBDMO O=[N+]([O-])c1ccccc1/C=C/C[N@H+]1CCC[C@H]1[C@@H]1CCCO1 ZINC000284924348 218237407 /nfs/dbraw/zinc/23/74/07/218237407.db2.gz GPJSJSHQFOUPGI-UCLCUNAYSA-N 1 1 302.374 3.251 20 5 DGBDMO CCn1cc(CC[N@@H+](Cc2cccc([N+](=O)[O-])c2)C2CC2)cn1 ZINC000285262415 218357886 /nfs/dbraw/zinc/35/78/86/218357886.db2.gz ZRVQNYZTCUBRKO-UHFFFAOYSA-N 1 1 314.389 3.018 20 5 DGBDMO COc1ccc(OCC[N@@H+](C)CC2CCCCC2)c([N+](=O)[O-])c1 ZINC000441241792 533013917 /nfs/dbraw/zinc/01/39/17/533013917.db2.gz ZDJXJYCNCPVKHN-UHFFFAOYSA-N 1 1 322.405 3.494 20 5 DGBDMO C[C@@H]1CC[N@@H+](Cc2ccc(-c3ccccc3[N+](=O)[O-])o2)[C@H]1CO ZINC000249100713 285055651 /nfs/dbraw/zinc/05/56/51/285055651.db2.gz PLCXXMGRVNPCOJ-WBMJQRKESA-N 1 1 316.357 3.058 20 5 DGBDMO COc1cc(NC[C@H]2CCCC[N@H+]2C2CC2)c(F)cc1[N+](=O)[O-] ZINC000433792112 533035078 /nfs/dbraw/zinc/03/50/78/533035078.db2.gz GQIFMOJVMFKNMJ-GFCCVEGCSA-N 1 1 323.368 3.171 20 5 DGBDMO C[C@H]1C[N@@H+](CCC(=O)Nc2ccccc2[N+](=O)[O-])CC(C)(C)C1 ZINC000337310880 253083317 /nfs/dbraw/zinc/08/33/17/253083317.db2.gz BPTXONYMVOPJRJ-CYBMUJFWSA-N 1 1 319.405 3.291 20 5 DGBDMO CC[N@H+](CCC(=O)Nc1ccccc1[N+](=O)[O-])CCC1CC1 ZINC000337310230 253083723 /nfs/dbraw/zinc/08/37/23/253083723.db2.gz ALWBJKLHQFMZLQ-UHFFFAOYSA-N 1 1 305.378 3.045 20 5 DGBDMO C[C@@H]1CCC[C@H](C)[N@@H+](CCC(=O)Nc2ccccc2[N+](=O)[O-])C1 ZINC000337256269 253071438 /nfs/dbraw/zinc/07/14/38/253071438.db2.gz SFXVDVBCUTZPCG-KGLIPLIRSA-N 1 1 319.405 3.434 20 5 DGBDMO COC(=O)C[N@H+](C/C=C\c1ccccc1[N+](=O)[O-])C1CCCC1 ZINC000254973566 285116337 /nfs/dbraw/zinc/11/63/37/285116337.db2.gz BSPUNEVJRYWCTO-VURMDHGXSA-N 1 1 318.373 3.026 20 5 DGBDMO COC(=O)C[N@@H+](C/C=C\c1ccccc1[N+](=O)[O-])C1CCCC1 ZINC000254973566 285116339 /nfs/dbraw/zinc/11/63/39/285116339.db2.gz BSPUNEVJRYWCTO-VURMDHGXSA-N 1 1 318.373 3.026 20 5 DGBDMO O=[N+]([O-])c1ccc2c(c1)[C@H]([NH2+][C@H]1CCCc3c[nH]nc31)CCC2 ZINC000278639235 285145754 /nfs/dbraw/zinc/14/57/54/285145754.db2.gz HJWGVRKQMMOZIQ-CVEARBPZSA-N 1 1 312.373 3.363 20 5 DGBDMO O=[N+]([O-])c1cccc(F)c1N1CC[NH+](Cc2ccccc2)CC1 ZINC000309719514 285156529 /nfs/dbraw/zinc/15/65/29/285156529.db2.gz LSWQHXNRSHIBJV-UHFFFAOYSA-N 1 1 315.348 3.056 20 5 DGBDMO O=[N+]([O-])c1ccccc1/C=C/C[N@H+]1C[C@H](O)C[C@H]1c1ccccc1 ZINC000414485410 285159785 /nfs/dbraw/zinc/15/97/85/285159785.db2.gz LHERCCXUAIXWMI-UXYGNLPZSA-N 1 1 324.380 3.416 20 5 DGBDMO COC[C@H]([NH2+]Cc1ccccc1[N+](=O)[O-])c1ccc(F)cc1 ZINC000342308555 253964042 /nfs/dbraw/zinc/96/40/42/253964042.db2.gz GWOGEXMSFXPGDZ-HNNXBMFYSA-N 1 1 304.321 3.211 20 5 DGBDMO C[C@@H](c1ccccc1Cl)[N@H+](C)CCn1cc([N+](=O)[O-])cn1 ZINC000157730844 197211194 /nfs/dbraw/zinc/21/11/94/197211194.db2.gz UGJLATPLKVIZHJ-NSHDSACASA-N 1 1 308.769 3.138 20 5 DGBDMO C[C@@H](c1ccccc1Cl)[N@@H+](C)CCn1cc([N+](=O)[O-])cn1 ZINC000157730844 197211196 /nfs/dbraw/zinc/21/11/96/197211196.db2.gz UGJLATPLKVIZHJ-NSHDSACASA-N 1 1 308.769 3.138 20 5 DGBDMO CC[C@H](C)C[N@@H+](CC)[C@H](C)C(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000343678205 254176709 /nfs/dbraw/zinc/17/67/09/254176709.db2.gz COQBDVUROZYMMC-QWHCGFSZSA-N 1 1 307.394 3.290 20 5 DGBDMO C[C@@H]1C[N@@H+](CCC(=O)Nc2ccc([N+](=O)[O-])cc2)CC(C)(C)C1 ZINC000344028227 254215644 /nfs/dbraw/zinc/21/56/44/254215644.db2.gz MNCWXDGWZNHBGY-ZDUSSCGKSA-N 1 1 319.405 3.291 20 5 DGBDMO O=[N+]([O-])c1ccccc1CC[NH2+][C@@H](c1ncc[nH]1)c1ccccc1 ZINC000344078252 254221855 /nfs/dbraw/zinc/22/18/55/254221855.db2.gz PABBYFRGPCUIRH-QGZVFWFLSA-N 1 1 322.368 3.240 20 5 DGBDMO CC[C@@]1(C)CC[N@@H+](CCC(=O)Nc2cc([N+](=O)[O-])ccc2C)C1 ZINC000344243657 254244964 /nfs/dbraw/zinc/24/49/64/254244964.db2.gz VNJYBQFEEAPNRJ-KRWDZBQOSA-N 1 1 319.405 3.354 20 5 DGBDMO C[C@H](CO)[N@@H+](C)Cc1ccc(-c2ccc([N+](=O)[O-])cc2Cl)o1 ZINC000289496875 221018772 /nfs/dbraw/zinc/01/87/72/221018772.db2.gz SJGIWMPVCGOUTA-SNVBAGLBSA-N 1 1 324.764 3.321 20 5 DGBDMO CCOc1cc(NC2C[C@H]3CC[C@@H](C2)[N@@H+]3C)ccc1[N+](=O)[O-] ZINC000322350389 285306631 /nfs/dbraw/zinc/30/66/31/285306631.db2.gz FEOGVHXPGZVMPD-AGUYFDCRSA-N 1 1 305.378 3.031 20 5 DGBDMO Cc1c(C[N@H+]2CC(C)(C)[C@@H]2[C@H]2CCCO2)cccc1[N+](=O)[O-] ZINC000289640689 221122504 /nfs/dbraw/zinc/12/25/04/221122504.db2.gz FPSCPIVXNWOSHF-CVEARBPZSA-N 1 1 304.390 3.293 20 5 DGBDMO Cc1c([C@H](C)[NH2+]Cc2ncccc2N(C)C)cccc1[N+](=O)[O-] ZINC000289641254 221123073 /nfs/dbraw/zinc/12/30/73/221123073.db2.gz FTDVTDJFXIXGFS-ZDUSSCGKSA-N 1 1 314.389 3.215 20 5 DGBDMO COCc1nc(C[NH2+]C/C=C/c2ccccc2[N+](=O)[O-])cs1 ZINC000289866833 221280131 /nfs/dbraw/zinc/28/01/31/221280131.db2.gz QUDKAPNFBAXBLD-GQCTYLIASA-N 1 1 319.386 3.001 20 5 DGBDMO CCC[C@]1(CO)CC[N@@H+](C/C=C/c2ccccc2[N+](=O)[O-])C1 ZINC000289991102 221365080 /nfs/dbraw/zinc/36/50/80/221365080.db2.gz CHTCKSXWWXSLDA-UABRLCRWSA-N 1 1 304.390 3.093 20 5 DGBDMO COC[C@H]1CC[N@H+](Cc2cc(Cl)cc(Cl)c2[N+](=O)[O-])C1 ZINC000290020238 221383658 /nfs/dbraw/zinc/38/36/58/221383658.db2.gz PHRKTQKIOGOITE-VIFPVBQESA-N 1 1 319.188 3.370 20 5 DGBDMO COC[C@H]1CC[N@@H+](Cc2cc(Cl)cc(Cl)c2[N+](=O)[O-])C1 ZINC000290020238 221383661 /nfs/dbraw/zinc/38/36/61/221383661.db2.gz PHRKTQKIOGOITE-VIFPVBQESA-N 1 1 319.188 3.370 20 5 DGBDMO CCOc1cc(C[N@@H+]([C@@H](C)CO)C2CCCC2)ccc1[N+](=O)[O-] ZINC000347156484 285335713 /nfs/dbraw/zinc/33/57/13/285335713.db2.gz CPSMKLJMYCVWPY-ZDUSSCGKSA-N 1 1 322.405 3.119 20 5 DGBDMO COCC[N@H+](Cc1csc([N+](=O)[O-])c1)[C@H]1CCCSC1 ZINC000433194825 533337294 /nfs/dbraw/zinc/33/72/94/533337294.db2.gz ZBNYBUMKTWDRND-LBPRGKRZSA-N 1 1 316.448 3.000 20 5 DGBDMO COCC[N@@H+](Cc1csc([N+](=O)[O-])c1)[C@H]1CCCSC1 ZINC000433194825 533337302 /nfs/dbraw/zinc/33/73/02/533337302.db2.gz ZBNYBUMKTWDRND-LBPRGKRZSA-N 1 1 316.448 3.000 20 5 DGBDMO C/C(=C/c1cccc([N+](=O)[O-])c1)C[N@@H+]1CCC[C@@H]1C[C@H](C)O ZINC000470183039 533382734 /nfs/dbraw/zinc/38/27/34/533382734.db2.gz OXPAOKPWAPDTQT-ZMTKHRCCSA-N 1 1 304.390 3.233 20 5 DGBDMO C/C(=C/c1cccc([N+](=O)[O-])c1)CN1CC[C@H]2CC[C@@H](C1)[N@H+]2C ZINC000470180083 533383668 /nfs/dbraw/zinc/38/36/68/533383668.db2.gz HSSCUVDDSAZDOK-XVAUXJJVSA-N 1 1 315.417 3.167 20 5 DGBDMO C/C(=C\c1cccc([N+](=O)[O-])c1)C[N@@H+](C[C@H]1CCOC1)C1CC1 ZINC000470178860 533406482 /nfs/dbraw/zinc/40/64/82/533406482.db2.gz OXLCCDNSOMTEFU-SCZPIIQISA-N 1 1 316.401 3.499 20 5 DGBDMO C/C(=C\c1cccc([N+](=O)[O-])c1)CNC[C@H](C)C[NH+]1CCCC1 ZINC000468654500 533408589 /nfs/dbraw/zinc/40/85/89/533408589.db2.gz YHKUJIKMLACUKA-KMPOOHAWSA-N 1 1 317.433 3.320 20 5 DGBDMO COc1cccc(OCC[N@H+](C)Cc2ccccc2[N+](=O)[O-])c1 ZINC000178576278 533657116 /nfs/dbraw/zinc/65/71/16/533657116.db2.gz ZNONSMYYMIGJEI-UHFFFAOYSA-N 1 1 316.357 3.114 20 5 DGBDMO COc1cccc(OCC[N@@H+](C)Cc2ccccc2[N+](=O)[O-])c1 ZINC000178576278 533657120 /nfs/dbraw/zinc/65/71/20/533657120.db2.gz ZNONSMYYMIGJEI-UHFFFAOYSA-N 1 1 316.357 3.114 20 5 DGBDMO C[C@@H](O)[C@@H]1CC[N@@H+](Cc2cc(=O)oc3ccc4ccccc4c23)C1 ZINC000272551676 130040166 /nfs/dbraw/zinc/04/01/66/130040166.db2.gz KRSZQASGGSRDDI-UKRRQHHQSA-N 1 1 323.392 3.149 20 5 DGBDMO CC[C@H](C)CC[NH2+][C@@H](c1nccn1C)c1cccc([N+](=O)[O-])c1 ZINC000595072602 400098557 /nfs/dbraw/zinc/09/85/57/400098557.db2.gz HZESGSGTRHTWDG-XJKSGUPXSA-N 1 1 316.405 3.444 20 5 DGBDMO CCC[N@@H+]1CC[C@@H](N[C@@H]2CCCc3ccc([N+](=O)[O-])cc32)C1 ZINC000595097568 400105478 /nfs/dbraw/zinc/10/54/78/400105478.db2.gz XQISLHZLSKMYAQ-RHSMWYFYSA-N 1 1 303.406 3.046 20 5 DGBDMO CCC[N@H+]1CC[C@@H](N[C@@H]2CCCc3ccc([N+](=O)[O-])cc32)C1 ZINC000595097568 400105485 /nfs/dbraw/zinc/10/54/85/400105485.db2.gz XQISLHZLSKMYAQ-RHSMWYFYSA-N 1 1 303.406 3.046 20 5 DGBDMO Cc1noc(C[N@H+]2CCC[C@H]2Cc2ccccc2)c1[N+](=O)[O-] ZINC000595289900 400118948 /nfs/dbraw/zinc/11/89/48/400118948.db2.gz RFWSIPKSLUAKKM-AWEZNQCLSA-N 1 1 301.346 3.098 20 5 DGBDMO O=[N+]([O-])c1ccc(N2CCC[C@@H](c3[nH]cc[nH+]3)C2)c2ncccc12 ZINC000092649371 400188512 /nfs/dbraw/zinc/18/85/12/400188512.db2.gz UYFPIAFVKOALHP-GFCCVEGCSA-N 1 1 323.356 3.250 20 5 DGBDMO O=[N+]([O-])c1ccc(OCCC[N@H+]2CC[C@H](c3ccco3)C2)cc1 ZINC000609539870 400173925 /nfs/dbraw/zinc/17/39/25/400173925.db2.gz GEOLYOXLQXPLOQ-AWEZNQCLSA-N 1 1 316.357 3.446 20 5 DGBDMO Cc1ccnc([C@@H]2CC[N@@H+](Cc3ccc(F)cc3[N+](=O)[O-])C2)c1 ZINC000595518454 400175356 /nfs/dbraw/zinc/17/53/56/400175356.db2.gz AIAPRXSCBYBPHF-CYBMUJFWSA-N 1 1 315.348 3.427 20 5 DGBDMO O=[N+]([O-])c1ccc([C@H]2CCC[N@H+]([C@@H]3CCCC[C@H]3O)C2)cc1 ZINC000595520783 400176248 /nfs/dbraw/zinc/17/62/48/400176248.db2.gz DTGWJVHCJIPKHQ-USXIJHARSA-N 1 1 304.390 3.078 20 5 DGBDMO O=[N+]([O-])c1cc(F)ccc1C[NH+]1CCC(OC2CCC2)CC1 ZINC000595546006 400183809 /nfs/dbraw/zinc/18/38/09/400183809.db2.gz FLPFOHUOQMTZKS-UHFFFAOYSA-N 1 1 308.353 3.267 20 5 DGBDMO Cc1noc(C[N@@H+]2CC[C@@H](c3ccccc3)[C@H]2C)c1[N+](=O)[O-] ZINC000595339503 400129978 /nfs/dbraw/zinc/12/99/78/400129978.db2.gz QEMJZZRREVDBJA-TZMCWYRMSA-N 1 1 301.346 3.269 20 5 DGBDMO Cc1cnc(CC[N@H+](C)Cc2ccc(F)cc2[N+](=O)[O-])s1 ZINC000595390651 400138334 /nfs/dbraw/zinc/13/83/34/400138334.db2.gz ZNWVJUVQZYILNP-UHFFFAOYSA-N 1 1 309.366 3.173 20 5 DGBDMO Cn1cc([C@H]([NH2+]Cc2ccc(F)cc2[N+](=O)[O-])C(C)(C)C)cn1 ZINC000595418953 400144216 /nfs/dbraw/zinc/14/42/16/400144216.db2.gz GVGNGUKZIRATOP-HNNXBMFYSA-N 1 1 320.368 3.344 20 5 DGBDMO Cn1cc([C@@H]([NH2+]Cc2ccc(F)cc2[N+](=O)[O-])C(C)(C)C)cn1 ZINC000595418954 400144491 /nfs/dbraw/zinc/14/44/91/400144491.db2.gz GVGNGUKZIRATOP-OAHLLOKOSA-N 1 1 320.368 3.344 20 5 DGBDMO O=[N+]([O-])c1cc(F)c(C[N@@H+]2CC[C@H](c3ccco3)C2)c(F)c1 ZINC000586764175 400152213 /nfs/dbraw/zinc/15/22/13/400152213.db2.gz COPPAJRZYLOIGX-JTQLQIEISA-N 1 1 308.284 3.456 20 5 DGBDMO O=[N+]([O-])c1cc(F)c(C[N@H+]2CC[C@H](c3ccco3)C2)c(F)c1 ZINC000586764175 400152218 /nfs/dbraw/zinc/15/22/18/400152218.db2.gz COPPAJRZYLOIGX-JTQLQIEISA-N 1 1 308.284 3.456 20 5 DGBDMO C[N@H+](CCc1ccccc1[N+](=O)[O-])Cc1noc2c1CCCC2 ZINC000586773246 400153143 /nfs/dbraw/zinc/15/31/43/400153143.db2.gz QSKXGLXBDWEUJK-UHFFFAOYSA-N 1 1 315.373 3.136 20 5 DGBDMO C[N@@H+](CCc1ccccc1[N+](=O)[O-])Cc1noc2c1CCCC2 ZINC000586773246 400153149 /nfs/dbraw/zinc/15/31/49/400153149.db2.gz QSKXGLXBDWEUJK-UHFFFAOYSA-N 1 1 315.373 3.136 20 5 DGBDMO Cc1cccc([N+](=O)[O-])c1NC(=O)C[NH+]1CCC2(CCC2)CC1 ZINC000586783109 400154938 /nfs/dbraw/zinc/15/49/38/400154938.db2.gz YSDGUJUOQIYMQN-UHFFFAOYSA-N 1 1 317.389 3.108 20 5 DGBDMO C[N@@H+](CCOCc1ccccc1)CCc1ccccc1[N+](=O)[O-] ZINC000595485745 400165695 /nfs/dbraw/zinc/16/56/95/400165695.db2.gz XLWLTHAOGVAMHM-UHFFFAOYSA-N 1 1 314.385 3.286 20 5 DGBDMO O=[N+]([O-])c1cc(F)ccc1C[N@H+]1CC[C@H](c2ccncc2)C1 ZINC000595489202 400166392 /nfs/dbraw/zinc/16/63/92/400166392.db2.gz QPCPFVNPRADLGZ-ZDUSSCGKSA-N 1 1 301.321 3.118 20 5 DGBDMO Cc1ccc([N+](=O)[O-])cc1[C@H](C)N1CCC[C@]2(CC[N@@H+](C)C2)C1 ZINC000595505235 400170160 /nfs/dbraw/zinc/17/01/60/400170160.db2.gz QZRXCJJCZSRFLN-MAUKXSAKSA-N 1 1 317.433 3.382 20 5 DGBDMO CC[N@@H+](CCNc1ccc([N+](=O)[O-])c2cccnc12)C(C)C ZINC000092641842 400188410 /nfs/dbraw/zinc/18/84/10/400188410.db2.gz PMMJYGXUENMECU-UHFFFAOYSA-N 1 1 302.378 3.285 20 5 DGBDMO COC[C@]1(C)CCN(c2cc[nH+]c3ccc([N+](=O)[O-])cc32)C1 ZINC000601170328 400255312 /nfs/dbraw/zinc/25/53/12/400255312.db2.gz OPIGLFHKNGULLX-MRXNPFEDSA-N 1 1 301.346 3.006 20 5 DGBDMO COc1ccc(C[N@H+](Cc2ccncc2)C2CC2)cc1[N+](=O)[O-] ZINC000093221831 400232933 /nfs/dbraw/zinc/23/29/33/400232933.db2.gz XECJKZGPEZDVFY-UHFFFAOYSA-N 1 1 313.357 3.163 20 5 DGBDMO COc1ccc(C[N@@H+](Cc2ccncc2)C2CC2)cc1[N+](=O)[O-] ZINC000093221831 400232937 /nfs/dbraw/zinc/23/29/37/400232937.db2.gz XECJKZGPEZDVFY-UHFFFAOYSA-N 1 1 313.357 3.163 20 5 DGBDMO CC[C@@H]1CN(c2cc[nH+]c3ccc([N+](=O)[O-])cc32)C[C@@H](C)O1 ZINC000601116861 400237708 /nfs/dbraw/zinc/23/77/08/400237708.db2.gz ZJEFZCRCZQSRON-DGCLKSJQSA-N 1 1 301.346 3.147 20 5 DGBDMO O=[N+]([O-])c1ccc2[nH]c(C[N@@H+]3CCC[C@@H](CCF)C3)nc2c1 ZINC000595755304 400251777 /nfs/dbraw/zinc/25/17/77/400251777.db2.gz KMXJSHNJQVOQJO-NSHDSACASA-N 1 1 306.341 3.043 20 5 DGBDMO O=[N+]([O-])c1ccc2[nH]c(C[N@H+]3CCC[C@@H](CCF)C3)nc2c1 ZINC000595755304 400251779 /nfs/dbraw/zinc/25/17/79/400251779.db2.gz KMXJSHNJQVOQJO-NSHDSACASA-N 1 1 306.341 3.043 20 5 DGBDMO COc1ccc(OCC[N@H+]2CCC[C@@H](C3CC3)C2)c([N+](=O)[O-])c1 ZINC000588977586 400252801 /nfs/dbraw/zinc/25/28/01/400252801.db2.gz CSQRDUKJSTVFQA-CQSZACIVSA-N 1 1 320.389 3.104 20 5 DGBDMO O=[N+]([O-])c1ccc(N[C@H]2CC[N@@H+](CC3CC3)C2)c2ncccc12 ZINC000092652082 400189496 /nfs/dbraw/zinc/18/94/96/400189496.db2.gz IJMMPKLDDJLNML-ZDUSSCGKSA-N 1 1 312.373 3.039 20 5 DGBDMO Cc1c(NC(=O)CC[N@@H+]2C[C@H](C)C[C@H](C)C2)cccc1[N+](=O)[O-] ZINC000026161365 400253766 /nfs/dbraw/zinc/25/37/66/400253766.db2.gz DXBYCEXXRYXORM-BETUJISGSA-N 1 1 319.405 3.210 20 5 DGBDMO CC[C@@H](C)[N@@H+](CC)Cc1nnc(-c2ccc([N+](=O)[O-])cc2)o1 ZINC000595593761 400197635 /nfs/dbraw/zinc/19/76/35/400197635.db2.gz UTUFXFHDCVEAFF-LLVKDONJSA-N 1 1 304.350 3.265 20 5 DGBDMO C[N@H+]1CC[C@H]2[C@@H](CCCN2Cc2ccc([N+](=O)[O-])cc2Cl)C1 ZINC000589206613 400277279 /nfs/dbraw/zinc/27/72/79/400277279.db2.gz WYFLZIURQOAQCD-BBRMVZONSA-N 1 1 323.824 3.164 20 5 DGBDMO C[C@@H](C1CC1)[N@@H+](Cc1nc2cc([N+](=O)[O-])ccc2o1)C1CC1 ZINC000610581055 400278353 /nfs/dbraw/zinc/27/83/53/400278353.db2.gz DPPKJXZZARSYNL-JTQLQIEISA-N 1 1 301.346 3.499 20 5 DGBDMO CCC[C@]1(CO)CC[N@@H+](C/C=C\c2ccccc2[N+](=O)[O-])C1 ZINC000589210432 400279042 /nfs/dbraw/zinc/27/90/42/400279042.db2.gz CHTCKSXWWXSLDA-WVRJYTFGSA-N 1 1 304.390 3.093 20 5 DGBDMO CCC[N@@H+](CC)CCNC(=O)Nc1cc([N+](=O)[O-])ccc1CC ZINC000589375053 400293258 /nfs/dbraw/zinc/29/32/58/400293258.db2.gz PCBBHWWWILGMEI-UHFFFAOYSA-N 1 1 322.409 3.011 20 5 DGBDMO CCC[C@H](C)[N@@H+](C)CC(=O)Nc1ccc(Cl)cc1[N+](=O)[O-] ZINC000030269489 400323894 /nfs/dbraw/zinc/32/38/94/400323894.db2.gz LXKXCPRHDWBRGL-JTQLQIEISA-N 1 1 313.785 3.307 20 5 DGBDMO CC(C)[C@@H]1c2ccccc2CC[N@@H+]1CCn1ccc([N+](=O)[O-])n1 ZINC000610788068 400305837 /nfs/dbraw/zinc/30/58/37/400305837.db2.gz SHDGCEKSCHHOTR-QGZVFWFLSA-N 1 1 314.389 3.047 20 5 DGBDMO CC(C)[N@@H+](C)C[C@@H](C)Nc1ccc([N+](=O)[O-])c(OC(F)F)c1 ZINC000589605903 400308575 /nfs/dbraw/zinc/30/85/75/400308575.db2.gz DINPGQWJFRSFDS-SNVBAGLBSA-N 1 1 317.336 3.337 20 5 DGBDMO O=[N+]([O-])c1cc(N[C@H]2CC[N@H+](C3CC3)C2)ccc1C(F)(F)F ZINC000596091011 400313994 /nfs/dbraw/zinc/31/39/94/400313994.db2.gz DMFAXGLJGLIKBZ-JTQLQIEISA-N 1 1 315.295 3.262 20 5 DGBDMO C[C@H](NC[C@H]1CCC[N@@H+](CC2CC2)C1)c1ccc([N+](=O)[O-])cc1 ZINC000596094077 400315599 /nfs/dbraw/zinc/31/55/99/400315599.db2.gz JFAHHGWXDVSELL-GOEBONIOSA-N 1 1 317.433 3.367 20 5 DGBDMO COc1cc(NCC[N@@H+](C)C(C)C)c(Cl)cc1[N+](=O)[O-] ZINC000596110471 400319892 /nfs/dbraw/zinc/31/98/92/400319892.db2.gz POLPULWQSNTXPO-UHFFFAOYSA-N 1 1 301.774 3.009 20 5 DGBDMO CC[C@@H]1CCC[N@@H+](CCC(=O)Nc2cc([N+](=O)[O-])ccc2C)C1 ZINC000030144620 400320779 /nfs/dbraw/zinc/32/07/79/400320779.db2.gz NKSROAOXXGSGLP-CQSZACIVSA-N 1 1 319.405 3.354 20 5 DGBDMO CC[C@@H]1CCC[N@@H+](Cc2nc(-c3cccc([N+](=O)[O-])c3)no2)C1 ZINC000030145384 400321219 /nfs/dbraw/zinc/32/12/19/400321219.db2.gz WGYIFZYOUIFLKR-GFCCVEGCSA-N 1 1 316.361 3.267 20 5 DGBDMO O=[N+]([O-])c1cc(C[N@H+]2CCC[C@H]([C@@H]3CCCCO3)C2)cs1 ZINC000595788280 400259443 /nfs/dbraw/zinc/25/94/43/400259443.db2.gz IFMSHZGVVBFVIC-KBPBESRZSA-N 1 1 310.419 3.437 20 5 DGBDMO CC(=O)c1ccc(N[C@@H]2CC[N@H+](C(C)(C)C)C2)c([N+](=O)[O-])c1 ZINC000596327036 400381704 /nfs/dbraw/zinc/38/17/04/400381704.db2.gz MJLBWJZPMJKDDR-CYBMUJFWSA-N 1 1 305.378 3.082 20 5 DGBDMO O=[N+]([O-])c1ccc(CC[N@H+]2CCC[C@H](C[C@@H]3CCOC3)C2)cc1 ZINC000611350379 400383042 /nfs/dbraw/zinc/38/30/42/400383042.db2.gz KIQHTTVFNFYOFN-SJORKVTESA-N 1 1 318.417 3.276 20 5 DGBDMO CC(C)(C)[N@H+]1CC[C@H](Nc2nccc3ccc([N+](=O)[O-])cc32)C1 ZINC000596337140 400384549 /nfs/dbraw/zinc/38/45/49/400384549.db2.gz UUGHCQDUWLPZIY-ZDUSSCGKSA-N 1 1 314.389 3.428 20 5 DGBDMO Cc1cc(N2CC[C@H](C[N@@H+](C)CC3CC3)C2)c([N+](=O)[O-])s1 ZINC000596146502 400330446 /nfs/dbraw/zinc/33/04/46/400330446.db2.gz CEDVDBSIGMLJNL-CYBMUJFWSA-N 1 1 309.435 3.133 20 5 DGBDMO Cc1cc(N2CCC(n3c[nH+]cc3C)CC2)c([N+](=O)[O-])s1 ZINC000596223294 400354575 /nfs/dbraw/zinc/35/45/75/400354575.db2.gz MBONBSDMRAZWHX-UHFFFAOYSA-N 1 1 306.391 3.311 20 5 DGBDMO O=[N+]([O-])c1ccc2oc(C[NH+]3CC(Cc4ccccc4)C3)nc2c1 ZINC000611177951 400354732 /nfs/dbraw/zinc/35/47/32/400354732.db2.gz GVWKIBJZURLSEJ-UHFFFAOYSA-N 1 1 323.352 3.411 20 5 DGBDMO Cc1ncc([N+](=O)[O-])n1CC[N@@H+](Cc1ccc(F)cc1)C(C)C ZINC000611254420 400364951 /nfs/dbraw/zinc/36/49/51/400364951.db2.gz YZPGJMPKCAMALN-UHFFFAOYSA-N 1 1 320.368 3.149 20 5 DGBDMO C[C@@H]1CCC[C@H]([N@@H+](C)Cc2cc3c(cc2[N+](=O)[O-])OCCO3)C1 ZINC000611254216 400365404 /nfs/dbraw/zinc/36/54/04/400365404.db2.gz UDAJLSHOURVWII-OCCSQVGLSA-N 1 1 320.389 3.377 20 5 DGBDMO O=[N+]([O-])c1cc2c(cc1C[N@H+]1CCC[C@@H]1C1CCC1)OCCO2 ZINC000611267343 400369424 /nfs/dbraw/zinc/36/94/24/400369424.db2.gz QHBMCPPPMQUULT-CQSZACIVSA-N 1 1 318.373 3.131 20 5 DGBDMO O=[N+]([O-])c1ccsc1N1CC[C@@H]2[C@@H](CCC[N@H+]2C2CC2)C1 ZINC000611413765 400396304 /nfs/dbraw/zinc/39/63/04/400396304.db2.gz SEIHQCLVEAMSFI-WCQYABFASA-N 1 1 307.419 3.109 20 5 DGBDMO C[C@@H](O)CC[N@@H+](C)Cc1cc(=O)oc2ccc3ccccc3c12 ZINC000072714201 400399882 /nfs/dbraw/zinc/39/98/82/400399882.db2.gz XVDWCYOWQJSXDK-CYBMUJFWSA-N 1 1 311.381 3.149 20 5 DGBDMO Cc1cc(C)c([N+](=O)[O-])c(N[C@H]2CC[N@H+](C3CCCC3)C2)n1 ZINC000611616323 400428929 /nfs/dbraw/zinc/42/89/29/400428929.db2.gz HQEDISGFTARGQL-ZDUSSCGKSA-N 1 1 304.394 3.035 20 5 DGBDMO CCC[N@@H+](C)CC(C)(C)NC(=O)Nc1cccc([N+](=O)[O-])c1C ZINC000596634822 400465515 /nfs/dbraw/zinc/46/55/15/400465515.db2.gz DAQBKCPARHZCPO-UHFFFAOYSA-N 1 1 322.409 3.145 20 5 DGBDMO C[C@@H](CC(F)(F)F)[NH2+]Cc1nc2cc([N+](=O)[O-])ccc2o1 ZINC000602611290 400511567 /nfs/dbraw/zinc/51/15/67/400511567.db2.gz LWUSGRBFMKNFPX-ZETCQYMHSA-N 1 1 303.240 3.167 20 5 DGBDMO C[C@@H](C(=O)Nc1ccccc1[N+](=O)[O-])[N@@H+](C)CC1CCCCC1 ZINC000043999957 400482794 /nfs/dbraw/zinc/48/27/94/400482794.db2.gz HYZPLFUXJILMNO-ZDUSSCGKSA-N 1 1 319.405 3.434 20 5 DGBDMO O=[N+]([O-])c1ccc2ccnc(N[C@@H]3CC[N@@H+](CC4CC4)C3)c2c1 ZINC000591146216 400493280 /nfs/dbraw/zinc/49/32/80/400493280.db2.gz JTWOXDOHEXBWEP-CQSZACIVSA-N 1 1 312.373 3.039 20 5 DGBDMO COc1ccc([N+](=O)[O-])cc1C[NH2+]Cc1c(C)cccc1OC ZINC000602550847 400494285 /nfs/dbraw/zinc/49/42/85/400494285.db2.gz OITSJWMKDACHRU-UHFFFAOYSA-N 1 1 316.357 3.210 20 5 DGBDMO CC[C@H]([NH2+]Cc1nc2cc([N+](=O)[O-])ccc2o1)c1ccncc1 ZINC000602561412 400497737 /nfs/dbraw/zinc/49/77/37/400497737.db2.gz ZEFVTRAZMSBPRT-ZDUSSCGKSA-N 1 1 312.329 3.372 20 5 DGBDMO Cc1ncc([N+](=O)[O-])n1CC[N@@H+]1CC[C@@H](C)C[C@@H]1c1ccco1 ZINC000602780338 400572203 /nfs/dbraw/zinc/57/22/03/400572203.db2.gz HGFURHQESMSRQV-TZMCWYRMSA-N 1 1 318.377 3.166 20 5 DGBDMO CC(C)[C@@H]1[N@@H+](CCc2ccc([N+](=O)[O-])cc2)CC12CCOCC2 ZINC000602692804 400541074 /nfs/dbraw/zinc/54/10/74/400541074.db2.gz YVABSTRQTCENMH-KRWDZBQOSA-N 1 1 318.417 3.274 20 5 DGBDMO O=[N+]([O-])c1ccc2c(c1)[C@@H](N[C@H]1CC[NH2+]C3(CCC3)C1)CCC2 ZINC000591582594 400542938 /nfs/dbraw/zinc/54/29/38/400542938.db2.gz MYAFFCRSGVVZQD-YOEHRIQHSA-N 1 1 315.417 3.237 20 5 DGBDMO O=[N+]([O-])c1ccc2[nH]c(C[NH+]3C4CCCC3CCC4)nc2c1 ZINC000618283309 400560327 /nfs/dbraw/zinc/56/03/27/400560327.db2.gz MELKUVSSLAGPJP-UHFFFAOYSA-N 1 1 300.362 3.378 20 5 DGBDMO C/C(=C/c1cccc([N+](=O)[O-])c1)C[N@@H+]1C[C@]2(C)COC[C@]2(C)C1 ZINC000597196373 400584431 /nfs/dbraw/zinc/58/44/31/400584431.db2.gz RXXVYIZNWRKXPH-ATNRAGQQSA-N 1 1 316.401 3.357 20 5 DGBDMO CC(C)[N@@H+](CCCc1cnn(C)c1)Cc1ccc([N+](=O)[O-])cc1 ZINC000138404155 400598693 /nfs/dbraw/zinc/59/86/93/400598693.db2.gz QUOSFCRUSJLDOE-UHFFFAOYSA-N 1 1 316.405 3.172 20 5 DGBDMO O=[N+]([O-])c1ccc(N2CCC[N@@H+](Cc3ccccc3)CC2)cc1 ZINC000145086224 400644163 /nfs/dbraw/zinc/64/41/63/400644163.db2.gz JJBANHAYFSGPGQ-UHFFFAOYSA-N 1 1 311.385 3.307 20 5 DGBDMO CC(C)Cn1nccc1C[N@@H+](C)CCc1cccc([N+](=O)[O-])c1 ZINC000592510080 400660644 /nfs/dbraw/zinc/66/06/44/400660644.db2.gz RLJAHHNZXSWZGH-UHFFFAOYSA-N 1 1 316.405 3.122 20 5 DGBDMO CN(CCC[N@@H+](C)Cc1ccncc1)c1sccc1[N+](=O)[O-] ZINC000603403229 400682474 /nfs/dbraw/zinc/68/24/74/400682474.db2.gz WAOFCEHISDPSTI-UHFFFAOYSA-N 1 1 320.418 3.010 20 5 DGBDMO Cc1c([C@@H](C)N[C@@H]2CC[N@H+](CC3CC3)C2)cccc1[N+](=O)[O-] ZINC000157711666 400720297 /nfs/dbraw/zinc/72/02/97/400720297.db2.gz JVZFLSIZQPVQHG-UKRRQHHQSA-N 1 1 303.406 3.038 20 5 DGBDMO Cc1c([C@@H](C)N[C@@H]2CC[N@@H+](CC3CC3)C2)cccc1[N+](=O)[O-] ZINC000157711666 400720305 /nfs/dbraw/zinc/72/03/05/400720305.db2.gz JVZFLSIZQPVQHG-UKRRQHHQSA-N 1 1 303.406 3.038 20 5 DGBDMO O=[N+]([O-])c1ccc(C[N@@H+]2CCC[C@H](OCC(F)(F)F)C2)cc1 ZINC000603834959 400720925 /nfs/dbraw/zinc/72/09/25/400720925.db2.gz GEFJFAYHRXGUDH-ZDUSSCGKSA-N 1 1 318.295 3.138 20 5 DGBDMO O=[N+]([O-])c1ccc(C[N@H+]2CCC[C@H](OCC(F)(F)F)C2)cc1 ZINC000603834959 400720928 /nfs/dbraw/zinc/72/09/28/400720928.db2.gz GEFJFAYHRXGUDH-ZDUSSCGKSA-N 1 1 318.295 3.138 20 5 DGBDMO CCOC(=O)CC[C@@H]1CCC[N@@H+](Cc2ccc([N+](=O)[O-])cc2)C1 ZINC000162125861 400744053 /nfs/dbraw/zinc/74/40/53/400744053.db2.gz RTEGSBASHQQICH-AWEZNQCLSA-N 1 1 320.389 3.150 20 5 DGBDMO Cc1cccc([N+](=O)[O-])c1NC(=O)C[N@H+]([C@H](C)C1CC1)C1CC1 ZINC000164690341 400750326 /nfs/dbraw/zinc/75/03/26/400750326.db2.gz DHTGPZBZTDRFRW-GFCCVEGCSA-N 1 1 317.389 3.105 20 5 DGBDMO CC(=O)c1ccc(NC[C@H](C)[N@H+]2CCCC[C@@H]2C)c([N+](=O)[O-])c1 ZINC000052101368 400717234 /nfs/dbraw/zinc/71/72/34/400717234.db2.gz KYAIHMJIXZXPDF-STQMWFEESA-N 1 1 319.405 3.472 20 5 DGBDMO CCn1cc(C[N@H+](Cc2ccccc2[N+](=O)[O-])C(C)C)cn1 ZINC000593080530 400756270 /nfs/dbraw/zinc/75/62/70/400756270.db2.gz JEWJPXRJQXMVLQ-UHFFFAOYSA-N 1 1 302.378 3.222 20 5 DGBDMO CCn1cc(C[N@@H+](Cc2ccccc2[N+](=O)[O-])C(C)C)cn1 ZINC000593080530 400756273 /nfs/dbraw/zinc/75/62/73/400756273.db2.gz JEWJPXRJQXMVLQ-UHFFFAOYSA-N 1 1 302.378 3.222 20 5 DGBDMO CC[N@@H+](Cc1ccc2c(c1)OCO2)Cc1cccc([N+](=O)[O-])c1 ZINC000053132882 400766140 /nfs/dbraw/zinc/76/61/40/400766140.db2.gz ZOIUDYIRUSIHKY-UHFFFAOYSA-N 1 1 314.341 3.346 20 5 DGBDMO CC(C)CC[N@@H+](C)CC(=O)Nc1ccc(Cl)cc1[N+](=O)[O-] ZINC000053361027 400777286 /nfs/dbraw/zinc/77/72/86/400777286.db2.gz CSZQBRQEEPRJSC-UHFFFAOYSA-N 1 1 313.785 3.165 20 5 DGBDMO CC(C)CC[N@@H+](C)CC(=O)Nc1ccc([N+](=O)[O-])cc1Cl ZINC000053363684 400777441 /nfs/dbraw/zinc/77/74/41/400777441.db2.gz YFKYZOAQPNZADE-UHFFFAOYSA-N 1 1 313.785 3.165 20 5 DGBDMO Cc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@H+](C)CCC(C)C ZINC000053365394 400777891 /nfs/dbraw/zinc/77/78/91/400777891.db2.gz HDXJUCLANBDKJA-UHFFFAOYSA-N 1 1 307.394 3.210 20 5 DGBDMO COc1cc(N2CCC[N@H+](C3CCCC3)CC2)ccc1[N+](=O)[O-] ZINC000078295228 400784060 /nfs/dbraw/zinc/78/40/60/400784060.db2.gz XHMSIVNERBEDAA-UHFFFAOYSA-N 1 1 319.405 3.058 20 5 DGBDMO CCC[N@H+]1CC[C@@H](CNc2ccc([N+](=O)[O-])c3cnccc23)C1 ZINC000053583461 400793465 /nfs/dbraw/zinc/79/34/65/400793465.db2.gz MNDKGIUPWCMOBF-ZDUSSCGKSA-N 1 1 314.389 3.287 20 5 DGBDMO Cc1c([C@@H](C)[NH2+]C[C@@H]2CCCC[N@@H+](C)C2)cccc1[N+](=O)[O-] ZINC000599069297 400949063 /nfs/dbraw/zinc/94/90/63/400949063.db2.gz FKLKHOIQPPOHJZ-CABCVRRESA-N 1 1 305.422 3.286 20 5 DGBDMO Cc1c([C@@H](C)NC[C@@H]2CCCC[N@H+](C)C2)cccc1[N+](=O)[O-] ZINC000599069297 400949064 /nfs/dbraw/zinc/94/90/64/400949064.db2.gz FKLKHOIQPPOHJZ-CABCVRRESA-N 1 1 305.422 3.286 20 5 DGBDMO Cc1c([C@@H](C)NC[C@@H]2CCCC[N@@H+](C)C2)cccc1[N+](=O)[O-] ZINC000599069297 400949070 /nfs/dbraw/zinc/94/90/70/400949070.db2.gz FKLKHOIQPPOHJZ-CABCVRRESA-N 1 1 305.422 3.286 20 5 DGBDMO O=[N+]([O-])c1ccc(OCC[N@H+]2CCC[C@@H](OC3CCC3)C2)cc1 ZINC000594027638 400953432 /nfs/dbraw/zinc/95/34/32/400953432.db2.gz XTTVNEOWOWDBBY-QGZVFWFLSA-N 1 1 320.389 3.007 20 5 DGBDMO C[N@@H+]1CCC[C@H]1CNCc1ccc(-c2cccc([N+](=O)[O-])c2)o1 ZINC000599013953 400927010 /nfs/dbraw/zinc/92/70/10/400927010.db2.gz MSMFOLSPAFITJW-HNNXBMFYSA-N 1 1 315.373 3.039 20 5 DGBDMO O=[N+]([O-])c1cc(Cl)cnc1NC[C@@H]1CC[N@H+]1C1CCCC1 ZINC000599164736 400982417 /nfs/dbraw/zinc/98/24/17/400982417.db2.gz LGLRFNFFZQBITR-LBPRGKRZSA-N 1 1 310.785 3.072 20 5 DGBDMO O=[N+]([O-])c1cnc(NC[C@H]2CC[N@H+]2C2CCCC2)c(Cl)c1 ZINC000599165837 400982689 /nfs/dbraw/zinc/98/26/89/400982689.db2.gz UIDIOMAXXSNMDN-LLVKDONJSA-N 1 1 310.785 3.072 20 5 DGBDMO COc1cccc(NC[C@@H]2CC[N@H+]2C2CCCC2)c1[N+](=O)[O-] ZINC000599166507 400983419 /nfs/dbraw/zinc/98/34/19/400983419.db2.gz XFIPFZHBUXTHNH-ZDUSSCGKSA-N 1 1 305.378 3.032 20 5 DGBDMO Nc1c(F)c(NC[C@@H]2CC[N@H+]2C2CCCCC2)ccc1[N+](=O)[O-] ZINC000599127950 400970444 /nfs/dbraw/zinc/97/04/44/400970444.db2.gz ROHGCSLBCGGHGP-LBPRGKRZSA-N 1 1 322.384 3.135 20 5 DGBDMO CC[C@@H]1CCCC[N@H+]1CCC(=O)Nc1cc([N+](=O)[O-])ccc1C ZINC000060089761 401100942 /nfs/dbraw/zinc/10/09/42/401100942.db2.gz MFVGBVBPAKARCZ-CQSZACIVSA-N 1 1 319.405 3.496 20 5 DGBDMO Cc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@H+](C)C1CCCCC1 ZINC000060089771 401101129 /nfs/dbraw/zinc/10/11/29/401101129.db2.gz QLHVYTAMEFTFGM-UHFFFAOYSA-N 1 1 319.405 3.496 20 5 DGBDMO CCC(CC)[N@@H+](CCOC)Cc1nc2cc([N+](=O)[O-])ccc2o1 ZINC000083170631 401112835 /nfs/dbraw/zinc/11/28/35/401112835.db2.gz ZBKXOKMKHMVZEJ-UHFFFAOYSA-N 1 1 321.377 3.373 20 5 DGBDMO Cc1ccc([N+](=O)[O-])cc1[C@H](C)[N@H+]1C[C@@H]2CCC[C@]2(CO)C1 ZINC000599638028 401099349 /nfs/dbraw/zinc/09/93/49/401099349.db2.gz LAQTWYNGOWGCAY-GRDNDAEWSA-N 1 1 304.390 3.059 20 5 DGBDMO C/C(=C\c1cccc([N+](=O)[O-])c1)CN[C@@H]1CC[N@@H+](C(C)(C)C)C1 ZINC000594956136 401206693 /nfs/dbraw/zinc/20/66/93/401206693.db2.gz HJPULEPYGSVIEK-HFQYIWAZSA-N 1 1 317.433 3.461 20 5 DGBDMO C/C(=C\c1cccc([N+](=O)[O-])c1)CN[C@@H]1CC[N@H+](C(C)(C)C)C1 ZINC000594956136 401206697 /nfs/dbraw/zinc/20/66/97/401206697.db2.gz HJPULEPYGSVIEK-HFQYIWAZSA-N 1 1 317.433 3.461 20 5 DGBDMO CC(C)(C)[N@H+]1CC[C@H](NC/C=C\c2ccccc2[N+](=O)[O-])C1 ZINC000594956581 401206722 /nfs/dbraw/zinc/20/67/22/401206722.db2.gz LPFZTRNHZSCSOH-LYASGUKUSA-N 1 1 303.406 3.070 20 5 DGBDMO CC(C)(C)N1CC[C@H]([NH2+]C/C=C\c2ccccc2[N+](=O)[O-])C1 ZINC000594956581 401206726 /nfs/dbraw/zinc/20/67/26/401206726.db2.gz LPFZTRNHZSCSOH-LYASGUKUSA-N 1 1 303.406 3.070 20 5 DGBDMO C[N@H+](Cc1nnc(-c2ccc([N+](=O)[O-])cc2)o1)CC1CCCC1 ZINC000064021376 401226586 /nfs/dbraw/zinc/22/65/86/401226586.db2.gz ONVAOTUYKPFLTB-UHFFFAOYSA-N 1 1 316.361 3.267 20 5 DGBDMO Cc1ccc(CN[C@@H]2CC[N@H+](C3CCCCC3)C2)cc1[N+](=O)[O-] ZINC000594978687 401217611 /nfs/dbraw/zinc/21/76/11/401217611.db2.gz VKNZFAPZTSMKSP-MRXNPFEDSA-N 1 1 317.433 3.400 20 5 DGBDMO Cc1ccc(C[NH2+][C@@H]2CCN(C3CCCCC3)C2)cc1[N+](=O)[O-] ZINC000594978687 401217613 /nfs/dbraw/zinc/21/76/13/401217613.db2.gz VKNZFAPZTSMKSP-MRXNPFEDSA-N 1 1 317.433 3.400 20 5 DGBDMO CCC[N@@H+]1CC[C@@H](NC/C(C)=C/c2cccc([N+](=O)[O-])c2)C1 ZINC000594991918 401220527 /nfs/dbraw/zinc/22/05/27/401220527.db2.gz NKPZNWNQKZKIIA-HFQYIWAZSA-N 1 1 303.406 3.072 20 5 DGBDMO CCC[N@H+]1CC[C@@H](NC/C(C)=C/c2cccc([N+](=O)[O-])c2)C1 ZINC000594991918 401220536 /nfs/dbraw/zinc/22/05/36/401220536.db2.gz NKPZNWNQKZKIIA-HFQYIWAZSA-N 1 1 303.406 3.072 20 5 DGBDMO COc1cc([N+](=O)[O-])ccc1[C@H](C)[NH2+][C@@H](C)CN1CCCCC1 ZINC000595008961 401229483 /nfs/dbraw/zinc/22/94/83/401229483.db2.gz WTPQWMILVKVRIT-KBPBESRZSA-N 1 1 321.421 3.128 20 5 DGBDMO COc1cc([N+](=O)[O-])ccc1[C@H](C)[NH2+][C@@H](C)c1cn(C)nc1C ZINC000595010814 401231022 /nfs/dbraw/zinc/23/10/22/401231022.db2.gz IPPXPBIOHHLHAR-QWRGUYRKSA-N 1 1 318.377 3.057 20 5 DGBDMO COc1ccc([N+](=O)[O-])cc1C[N@H+]1CCS[C@H]2CCCC[C@H]21 ZINC000437540023 286384052 /nfs/dbraw/zinc/38/40/52/286384052.db2.gz ACODTMJATZSJJW-ZBFHGGJFSA-N 1 1 322.430 3.463 20 5 DGBDMO Cc1ccc([N+](=O)[O-])cc1[C@H](C)[N@H+]1CC[C@@H]2C[C@H](O)CC[C@H]2C1 ZINC000451705419 292296387 /nfs/dbraw/zinc/29/63/87/292296387.db2.gz YNEYQYLBTAMGPG-QSJFSLAZSA-N 1 1 318.417 3.447 20 5 DGBDMO Cc1c(NC(=O)CC[N@@H+]2CCC[C@@H](C)[C@@H]2C)cccc1[N+](=O)[O-] ZINC000172862483 164674790 /nfs/dbraw/zinc/67/47/90/164674790.db2.gz RWCALBHFXNEFEL-OCCSQVGLSA-N 1 1 319.405 3.352 20 5 DGBDMO CC[C@@H]1[C@@H](C)CC[N@H+]1Cc1cc(OC)c(OC)cc1[N+](=O)[O-] ZINC000187578813 165095826 /nfs/dbraw/zinc/09/58/26/165095826.db2.gz KXWZXCPXHVEPBD-WCQYABFASA-N 1 1 308.378 3.232 20 5 DGBDMO O=[N+]([O-])c1cnc(N[C@@H]2CCC[N@@H+](Cc3ccccc3)C2)s1 ZINC000189687555 165173069 /nfs/dbraw/zinc/17/30/69/165173069.db2.gz ALYXDXKPKPUPKH-CYBMUJFWSA-N 1 1 318.402 3.128 20 5 DGBDMO Cc1c(NC(=O)CC[N@@H+]2CCC[C@@H](C)[C@H]2C)cccc1[N+](=O)[O-] ZINC000246970536 165554045 /nfs/dbraw/zinc/55/40/45/165554045.db2.gz RWCALBHFXNEFEL-TZMCWYRMSA-N 1 1 319.405 3.352 20 5 DGBDMO O=[N+]([O-])c1ccc(C[NH+]2CCC(n3ccnc3)CC2)c(Cl)c1 ZINC000182220441 432168873 /nfs/dbraw/zinc/16/88/73/432168873.db2.gz JVWQBYFJODWFLO-UHFFFAOYSA-N 1 1 320.780 3.282 20 5 DGBDMO O=[N+]([O-])c1ccccc1N1CC[C@H]2[C@@H](CCC[N@H+]2C2CC2)C1 ZINC000269414149 432170796 /nfs/dbraw/zinc/17/07/96/432170796.db2.gz JWSBEVAVVZJCII-ZFWWWQNUSA-N 1 1 301.390 3.048 20 5 DGBDMO C[C@@H](c1ccccc1)[N@@H+](C)C[C@@H](O)c1cccc([N+](=O)[O-])c1 ZINC000269686895 432197097 /nfs/dbraw/zinc/19/70/97/432197097.db2.gz GRWMZTFFLVDPBV-SUMWQHHRSA-N 1 1 300.358 3.321 20 5 DGBDMO CCC[N@@H+]1CC[C@@H](CN[C@H](CC)c2cccc([N+](=O)[O-])c2)C1 ZINC000247147057 432207721 /nfs/dbraw/zinc/20/77/21/432207721.db2.gz SRMFLWRBHMRNAF-WMLDXEAASA-N 1 1 305.422 3.367 20 5 DGBDMO CCC[N@H+]1CC[C@@H](CN[C@H](CC)c2cccc([N+](=O)[O-])c2)C1 ZINC000247147057 432207724 /nfs/dbraw/zinc/20/77/24/432207724.db2.gz SRMFLWRBHMRNAF-WMLDXEAASA-N 1 1 305.422 3.367 20 5 DGBDMO Cc1c([C@H](C)N[C@@H]2C[C@@H](C)[N@@H+](C3CC3)C2)cccc1[N+](=O)[O-] ZINC000247262680 432217411 /nfs/dbraw/zinc/21/74/11/432217411.db2.gz ZHINZWBZWUOYPJ-KWCYVHTRSA-N 1 1 303.406 3.179 20 5 DGBDMO Cc1c([C@H](C)N[C@@H]2C[C@@H](C)[N@H+](C3CC3)C2)cccc1[N+](=O)[O-] ZINC000247262680 432217414 /nfs/dbraw/zinc/21/74/14/432217414.db2.gz ZHINZWBZWUOYPJ-KWCYVHTRSA-N 1 1 303.406 3.179 20 5 DGBDMO CCC[N@@H+]1CC[C@@H](CN[C@@H](CC)c2cccc([N+](=O)[O-])c2)C1 ZINC000151127222 432220828 /nfs/dbraw/zinc/22/08/28/432220828.db2.gz SRMFLWRBHMRNAF-YOEHRIQHSA-N 1 1 305.422 3.367 20 5 DGBDMO CCC[N@H+]1CC[C@@H](CN[C@@H](CC)c2cccc([N+](=O)[O-])c2)C1 ZINC000151127222 432220830 /nfs/dbraw/zinc/22/08/30/432220830.db2.gz SRMFLWRBHMRNAF-YOEHRIQHSA-N 1 1 305.422 3.367 20 5 DGBDMO O=[N+]([O-])c1ccccc1CN1CCC[N@H+](C2CCCC2)CC1 ZINC000172584001 432221875 /nfs/dbraw/zinc/22/18/75/432221875.db2.gz MLMPFBAKWLOLHV-UHFFFAOYSA-N 1 1 303.406 3.045 20 5 DGBDMO Cc1ccc([C@H](C)[NH2+]Cc2c(Cl)cnn2C)cc1[N+](=O)[O-] ZINC000132007351 196218055 /nfs/dbraw/zinc/21/80/55/196218055.db2.gz WKXKMFKFFOJMTB-JTQLQIEISA-N 1 1 308.769 3.141 20 5 DGBDMO Cc1cc(NC[C@@H]2CCC[N@H+](C)C2)c2cccc([N+](=O)[O-])c2n1 ZINC000302004819 230028483 /nfs/dbraw/zinc/02/84/83/230028483.db2.gz KOGSRVADKBXHCA-ZDUSSCGKSA-N 1 1 314.389 3.205 20 5 DGBDMO O=[N+]([O-])c1ccc(N2CCC[C@@H](c3[nH]cc[nH+]3)C2)c2cccnc21 ZINC000413118314 230135095 /nfs/dbraw/zinc/13/50/95/230135095.db2.gz KZIMDKGFLSEJPD-GFCCVEGCSA-N 1 1 323.356 3.250 20 5 DGBDMO O=[N+]([O-])c1cnc(NC[C@@H]2CCC[N@H+]2C2CCCCC2)c(F)c1 ZINC000413265670 230172415 /nfs/dbraw/zinc/17/24/15/230172415.db2.gz JROHFLKBLQYTAJ-ZDUSSCGKSA-N 1 1 322.384 3.338 20 5 DGBDMO O=[N+]([O-])c1cccc(N2CC[NH+](C/C=C/c3ccccc3)CC2)c1 ZINC000192989592 263786853 /nfs/dbraw/zinc/78/68/53/263786853.db2.gz NCARQDMHMXXLAG-VMPITWQZSA-N 1 1 323.396 3.430 20 5 DGBDMO COc1cc(C[N@@H+](C)C[C@@H]2CC=CCC2)c([N+](=O)[O-])cc1OC ZINC000346338560 264013446 /nfs/dbraw/zinc/01/34/46/264013446.db2.gz VCHXMKYEBDSFEI-CYBMUJFWSA-N 1 1 320.389 3.400 20 5 DGBDMO CCOC(=O)CC(C)(C)CC[N@@H+](C)Cc1ccccc1[N+](=O)[O-] ZINC000346839121 264106412 /nfs/dbraw/zinc/10/64/12/264106412.db2.gz GHGFWFYTPCSGAA-UHFFFAOYSA-N 1 1 322.405 3.396 20 5 DGBDMO COC(=O)[C@@H]1CC[N@@H+](Cc2ccc(C(C)C)c([N+](=O)[O-])c2)[C@@H]1C ZINC000347272081 264187269 /nfs/dbraw/zinc/18/72/69/264187269.db2.gz DFNYYMTWQHXSFP-IUODEOHRSA-N 1 1 320.389 3.102 20 5 DGBDMO C[N@@H+](Cc1nc2cc([N+](=O)[O-])ccc2[nH]1)C1CCC(F)(F)CC1 ZINC000347604647 264250070 /nfs/dbraw/zinc/25/00/70/264250070.db2.gz SBVCXQORXLZCBO-UHFFFAOYSA-N 1 1 324.331 3.481 20 5 DGBDMO C[C@@H](C(=O)Nc1ccc([N+](=O)[O-])cc1)[N@H+]1CCCC2(CCC2)C1 ZINC000348169101 264356936 /nfs/dbraw/zinc/35/69/36/264356936.db2.gz OSLCLJDOHAMQIU-ZDUSSCGKSA-N 1 1 317.389 3.188 20 5 DGBDMO O=[N+]([O-])c1cc(F)c(C[NH2+][C@@H]2CCC[C@H]2OC(F)F)c(F)c1 ZINC000352375811 265023881 /nfs/dbraw/zinc/02/38/81/265023881.db2.gz FJFJKMNCNLGCJC-VXGBXAGGSA-N 1 1 322.258 3.123 20 5 DGBDMO CN(Cc1c(Cl)cccc1[N+](=O)[O-])C1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC000352921953 265229575 /nfs/dbraw/zinc/22/95/75/265229575.db2.gz MOMPXJLFOHKKFP-FUNVUKJBSA-N 1 1 323.824 3.305 20 5 DGBDMO CCC[N@H+]1CCC[C@H]1CNC/C=C/c1ccccc1[N+](=O)[O-] ZINC000353142990 265316922 /nfs/dbraw/zinc/31/69/22/265316922.db2.gz SANVONVGEIFPKL-WHWKNOJMSA-N 1 1 303.406 3.072 20 5 DGBDMO CCCN1CCC[C@H]1C[NH2+]C/C=C/c1ccccc1[N+](=O)[O-] ZINC000353142990 265316924 /nfs/dbraw/zinc/31/69/24/265316924.db2.gz SANVONVGEIFPKL-WHWKNOJMSA-N 1 1 303.406 3.072 20 5 DGBDMO C[C@@H](C(=O)Nc1cccc([N+](=O)[O-])c1)[N@H+]1CCCC(C)(C)C1 ZINC000353263131 265367525 /nfs/dbraw/zinc/36/75/25/265367525.db2.gz NCUDPMGPRUNNDN-LBPRGKRZSA-N 1 1 305.378 3.044 20 5 DGBDMO C[C@H]1CC[N@@H+](Cc2ccc(-c3ccccc3[N+](=O)[O-])o2)[C@@H]1CO ZINC000191180267 432230573 /nfs/dbraw/zinc/23/05/73/432230573.db2.gz PLCXXMGRVNPCOJ-BLLLJJGKSA-N 1 1 316.357 3.058 20 5 DGBDMO Cn1cnc([N+](=O)[O-])c1C[N@@H+](C)C1CCC(C(C)(C)C)CC1 ZINC000355550748 266111332 /nfs/dbraw/zinc/11/13/32/266111332.db2.gz YBKLJFBUNKYKNQ-UHFFFAOYSA-N 1 1 308.426 3.365 20 5 DGBDMO Cc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@H+]1CC2CCC1CC2 ZINC000367567239 271044231 /nfs/dbraw/zinc/04/42/31/271044231.db2.gz XUSHLNKJGUSPAY-UHFFFAOYSA-N 1 1 317.389 3.106 20 5 DGBDMO O=[N+]([O-])c1ccc(C[N@H+]2CC[C@H](n3ncc4ccccc43)C2)cc1 ZINC000368002781 271110602 /nfs/dbraw/zinc/11/06/02/271110602.db2.gz UBSIUJBGESEOED-KRWDZBQOSA-N 1 1 322.368 3.392 20 5 DGBDMO COc1ccc2c(c1)[C@H]([NH2+]Cc1csc([N+](=O)[O-])c1)CCO2 ZINC000341559896 274137097 /nfs/dbraw/zinc/13/70/97/274137097.db2.gz ZBRRTPWTECQNPW-CYBMUJFWSA-N 1 1 320.370 3.278 20 5 DGBDMO C[C@@H](c1cnccn1)[N@H+]1CCC[C@H](c2ccc([N+](=O)[O-])cc2)C1 ZINC000451543764 274280324 /nfs/dbraw/zinc/28/03/24/274280324.db2.gz CQNMWXIVIFNJGI-ZFWWWQNUSA-N 1 1 312.373 3.325 20 5 DGBDMO O=[N+]([O-])c1ccc2c(ccnc2N2CCC[C@H](c3[nH]cc[nH+]3)C2)c1 ZINC000297083968 275038868 /nfs/dbraw/zinc/03/88/68/275038868.db2.gz KAVNIDVVVWPGBM-ZDUSSCGKSA-N 1 1 323.356 3.250 20 5 DGBDMO CC[N@@H+](CCC(=O)Nc1cc([N+](=O)[O-])ccc1F)C1CCCC1 ZINC000185185835 276122045 /nfs/dbraw/zinc/12/20/45/276122045.db2.gz HQSVWIYOECENMJ-UHFFFAOYSA-N 1 1 323.368 3.327 20 5 DGBDMO C[C@H](Nc1ccc([N+](=O)[O-])cn1)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC000302042841 278285900 /nfs/dbraw/zinc/28/59/00/278285900.db2.gz IYSFOTBKYONBNM-QWHCGFSZSA-N 1 1 304.394 3.055 20 5 DGBDMO C[C@@H]1CCC[N@@H+](Cc2nnc(-c3ccc([N+](=O)[O-])cc3)o2)CC1 ZINC000068838015 431143038 /nfs/dbraw/zinc/14/30/38/431143038.db2.gz OISBOVOVTCCQMX-GFCCVEGCSA-N 1 1 316.361 3.267 20 5 DGBDMO CC[C@H](C)[N@@H+](C)CCNc1ccc2ncccc2c1[N+](=O)[O-] ZINC000112079811 431247127 /nfs/dbraw/zinc/24/71/27/431247127.db2.gz QOUWHNFPIJASMA-LBPRGKRZSA-N 1 1 302.378 3.285 20 5 DGBDMO Cc1c(NC(=O)CCn2cc[nH+]c2C(C)C)cccc1[N+](=O)[O-] ZINC000072795006 431348065 /nfs/dbraw/zinc/34/80/65/431348065.db2.gz VCCWHTGFKSOKPL-UHFFFAOYSA-N 1 1 316.361 3.252 20 5 DGBDMO O=[N+]([O-])c1cc(Cl)ccc1C[N@@H+]1CCC[C@@H](c2cc[nH]n2)C1 ZINC000116273550 431499858 /nfs/dbraw/zinc/49/98/58/431499858.db2.gz PXNXFYFNJGKBOD-LLVKDONJSA-N 1 1 320.780 3.351 20 5 DGBDMO O=[N+]([O-])c1cc(Cl)ccc1C[N@H+]1CCC[C@@H](c2cc[nH]n2)C1 ZINC000116273550 431499862 /nfs/dbraw/zinc/49/98/62/431499862.db2.gz PXNXFYFNJGKBOD-LLVKDONJSA-N 1 1 320.780 3.351 20 5 DGBDMO O=[N+]([O-])c1cc(Cl)cnc1N1CCC[N@H+](C2CCCC2)CC1 ZINC000178837798 280358892 /nfs/dbraw/zinc/35/88/92/280358892.db2.gz IULBEJXSDAYDLH-UHFFFAOYSA-N 1 1 324.812 3.098 20 5 DGBDMO C[C@@H]1CCC[C@@H]([N@@H+](C)Cc2cc([N+](=O)[O-])cc3c2OCOC3)C1 ZINC000026469751 431674385 /nfs/dbraw/zinc/67/43/85/431674385.db2.gz OTOKBEQAUUECMH-IUODEOHRSA-N 1 1 320.389 3.472 20 5 DGBDMO C[C@@H]1CCC[C@H]([N@@H+](C)CC(=O)Nc2ccccc2[N+](=O)[O-])C1 ZINC000026468018 431676621 /nfs/dbraw/zinc/67/66/21/431676621.db2.gz LGXYSLZWAKHOQK-OLZOCXBDSA-N 1 1 305.378 3.044 20 5 DGBDMO C[C@H]1CCC[C@@H]([N@@H+](C)CC(=O)N(C)c2ccc([N+](=O)[O-])cc2)C1 ZINC000026476939 431676734 /nfs/dbraw/zinc/67/67/34/431676734.db2.gz NEHPPDBJGCMINC-XJKSGUPXSA-N 1 1 319.405 3.068 20 5 DGBDMO CC(C)[N@@H+](CC(=O)Nc1ccc(Cl)cc1[N+](=O)[O-])C1CC1 ZINC000079076566 431716118 /nfs/dbraw/zinc/71/61/18/431716118.db2.gz VSXGXBYEFPYMDQ-UHFFFAOYSA-N 1 1 311.769 3.060 20 5 DGBDMO Cc1ccc([C@H](C)N[C@H](C)C[NH+]2CCCCC2)cc1[N+](=O)[O-] ZINC000122982838 431850972 /nfs/dbraw/zinc/85/09/72/431850972.db2.gz SGRIFYYTESFINX-CABCVRRESA-N 1 1 305.422 3.428 20 5 DGBDMO CC(C)C[C@H]1CCCC[N@H+]1Cc1ccc(C(N)=O)cc1[N+](=O)[O-] ZINC000123585332 431869350 /nfs/dbraw/zinc/86/93/50/431869350.db2.gz JLUOLWCLGNJULP-OAHLLOKOSA-N 1 1 319.405 3.094 20 5 DGBDMO C[C@@H]1CO[C@@H](C)C[N@@H+]1Cc1ccc(-c2ccc([N+](=O)[O-])cc2)o1 ZINC000122575531 431838828 /nfs/dbraw/zinc/83/88/28/431838828.db2.gz KVINKXZGGSGAKK-OLZOCXBDSA-N 1 1 316.357 3.464 20 5 DGBDMO C[C@@H]1CO[C@@H](C)C[N@H+]1Cc1ccc(-c2ccc([N+](=O)[O-])cc2)o1 ZINC000122575531 431838833 /nfs/dbraw/zinc/83/88/33/431838833.db2.gz KVINKXZGGSGAKK-OLZOCXBDSA-N 1 1 316.357 3.464 20 5 DGBDMO C[C@@H]1CCC[C@H](C)C[N@@H+]1Cc1cc([N+](=O)[O-])cc2c1OCOC2 ZINC000125381872 431924185 /nfs/dbraw/zinc/92/41/85/431924185.db2.gz KVGZLWIAFXHABK-QWHCGFSZSA-N 1 1 320.389 3.472 20 5 DGBDMO CC[C@@H]1CC[N@@H+](Cc2coc(-c3ccc([N+](=O)[O-])cc3)n2)C1 ZINC000089909375 431884442 /nfs/dbraw/zinc/88/44/42/431884442.db2.gz DRYPWNRHZHEBNG-GFCCVEGCSA-N 1 1 301.346 3.482 20 5 DGBDMO C[C@H]1OCC[N@H+](Cc2ccc(-c3ccc([N+](=O)[O-])cc3)o2)[C@@H]1C ZINC000126527800 431952240 /nfs/dbraw/zinc/95/22/40/431952240.db2.gz GWFFJRPURKOFJH-CHWSQXEVSA-N 1 1 316.357 3.464 20 5 DGBDMO C[C@H]1OCC[N@@H+](Cc2ccc(-c3ccc([N+](=O)[O-])cc3)o2)[C@@H]1C ZINC000126527800 431952243 /nfs/dbraw/zinc/95/22/43/431952243.db2.gz GWFFJRPURKOFJH-CHWSQXEVSA-N 1 1 316.357 3.464 20 5 DGBDMO C[C@@H]1C[N@@H+](Cc2ccc(-c3cccc([N+](=O)[O-])c3)o2)C[C@H](C)O1 ZINC000127035983 431962615 /nfs/dbraw/zinc/96/26/15/431962615.db2.gz HKNPKZAZBMZJGY-BETUJISGSA-N 1 1 316.357 3.464 20 5 DGBDMO C[C@@H]1C[N@H+](Cc2ccc(-c3cccc([N+](=O)[O-])c3)o2)C[C@H](C)O1 ZINC000127035983 431962618 /nfs/dbraw/zinc/96/26/18/431962618.db2.gz HKNPKZAZBMZJGY-BETUJISGSA-N 1 1 316.357 3.464 20 5 DGBDMO C[C@H](c1ccccc1)[N@H+]1CC[C@H](Nc2ccc([N+](=O)[O-])cn2)C1 ZINC000053580516 431964377 /nfs/dbraw/zinc/96/43/77/431964377.db2.gz PBCVDUJMMPKPIP-HIFRSBDPSA-N 1 1 312.373 3.237 20 5 DGBDMO CC(C)[N@@H+](C)CCNc1ccc([N+](=O)[O-])cc1Br ZINC000054128218 431967406 /nfs/dbraw/zinc/96/74/06/431967406.db2.gz STRHRYSGLZUFKT-UHFFFAOYSA-N 1 1 316.199 3.109 20 5 DGBDMO Cc1ccc([N+](=O)[O-])cc1[C@@H](C)[N@H+]1CCC2(C1)CCOCC2 ZINC000272335193 281019402 /nfs/dbraw/zinc/01/94/02/281019402.db2.gz NLIQBIFREWFPTB-CQSZACIVSA-N 1 1 304.390 3.467 20 5 DGBDMO Cc1ccc([N+](=O)[O-])cc1[C@@H](C)N[C@@H](C)C[NH+]1CCCCC1 ZINC000151862821 432283927 /nfs/dbraw/zinc/28/39/27/432283927.db2.gz NVRIYCFEOGXOGW-LSDHHAIUSA-N 1 1 305.422 3.428 20 5 DGBDMO C[N@H+](Cc1ccc([N+](=O)[O-])cc1Cl)C[C@H]1CCCC[C@H]1O ZINC000248405681 432286026 /nfs/dbraw/zinc/28/60/26/432286026.db2.gz ATTWOMBNNJKKNO-IUODEOHRSA-N 1 1 312.797 3.231 20 5 DGBDMO O=[N+]([O-])c1ccc(C[N@H+]2CC[C@@H](Oc3cccc(F)c3)C2)cc1 ZINC000183372827 432286708 /nfs/dbraw/zinc/28/67/08/432286708.db2.gz QKIRXUOYUMWZSJ-QGZVFWFLSA-N 1 1 316.332 3.387 20 5 DGBDMO C[C@@H]1C[N@@H+](CC(=O)Nc2ccccc2[N+](=O)[O-])[C@H]2CCCC[C@@H]12 ZINC000248437279 432290842 /nfs/dbraw/zinc/29/08/42/432290842.db2.gz SLQVKGQSXLXZST-IPYPFGDCSA-N 1 1 317.389 3.044 20 5 DGBDMO Cc1cc([N+](=O)[O-])ccc1NC(=O)C[N@H+](C)[C@@H]1CCCC[C@@H]1C ZINC000173188912 432263564 /nfs/dbraw/zinc/26/35/64/432263564.db2.gz YKKDOZOJUIXEIA-BLLLJJGKSA-N 1 1 319.405 3.352 20 5 DGBDMO Cc1nccn1CCC[N@@H+](Cc1ccc([N+](=O)[O-])cc1)C(C)C ZINC000270626034 432267371 /nfs/dbraw/zinc/26/73/71/432267371.db2.gz KVPKOQIFVGJHGA-UHFFFAOYSA-N 1 1 316.405 3.400 20 5 DGBDMO CC(C)[N@@H+](CCO)Cc1ccc(-c2ccc([N+](=O)[O-])cc2)o1 ZINC000271040347 432320176 /nfs/dbraw/zinc/32/01/76/432320176.db2.gz NJJGPAJZGMYIEJ-UHFFFAOYSA-N 1 1 304.346 3.058 20 5 DGBDMO COC[C@@H]1CC[N@@H+](Cc2ccc(-c3ccccc3[N+](=O)[O-])o2)C1 ZINC000271166681 432342719 /nfs/dbraw/zinc/34/27/19/432342719.db2.gz HTWCKKBDDNVNKI-CYBMUJFWSA-N 1 1 316.357 3.323 20 5 DGBDMO CC[C@@H](C)[N@@H+](CCn1cc([N+](=O)[O-])cn1)Cc1ccccc1 ZINC000174810514 432373417 /nfs/dbraw/zinc/37/34/17/432373417.db2.gz WNHSCEBZTIWRTH-CQSZACIVSA-N 1 1 302.378 3.092 20 5 DGBDMO CC[C@H](Cc1ccc(C)cc1)[N@@H+](C)CCn1cc([N+](=O)[O-])cn1 ZINC000174877557 432376287 /nfs/dbraw/zinc/37/62/87/432376287.db2.gz KYKZBSOCCZSXPB-MRXNPFEDSA-N 1 1 316.405 3.053 20 5 DGBDMO CC(C)OC(=O)C[C@H]1CCC[N@@H+](Cc2ccccc2[N+](=O)[O-])C1 ZINC000184482873 432397287 /nfs/dbraw/zinc/39/72/87/432397287.db2.gz AWMLCODPNCJPRA-CQSZACIVSA-N 1 1 320.389 3.149 20 5 DGBDMO CC[N@@H+](Cc1cc(OC)c(OC)cc1[N+](=O)[O-])C1CCCC1 ZINC000153672004 432432156 /nfs/dbraw/zinc/43/21/56/432432156.db2.gz OUVHIHOOBCYOID-UHFFFAOYSA-N 1 1 308.378 3.377 20 5 DGBDMO O=[N+]([O-])c1ccccc1C[N@H+](CCO[C@@H]1CCCCO1)C1CC1 ZINC000193075605 432446203 /nfs/dbraw/zinc/44/62/03/432446203.db2.gz GOCUKLZNWKWHHJ-QGZVFWFLSA-N 1 1 320.389 3.102 20 5 DGBDMO O=[N+]([O-])c1ccccc1C[N@@H+](CCO[C@@H]1CCCCO1)C1CC1 ZINC000193075605 432446209 /nfs/dbraw/zinc/44/62/09/432446209.db2.gz GOCUKLZNWKWHHJ-QGZVFWFLSA-N 1 1 320.389 3.102 20 5 DGBDMO C[N@H+](C/C=C\c1ccccc1[N+](=O)[O-])CCc1nccs1 ZINC000255429570 432409955 /nfs/dbraw/zinc/40/99/55/432409955.db2.gz DTPVQQPRKLBDJA-XQRVVYSFSA-N 1 1 303.387 3.239 20 5 DGBDMO O=[N+]([O-])c1cc(C[N@@H+]2CCC[C@@H](c3cc[nH]n3)C2)ccc1Cl ZINC000153460719 432411353 /nfs/dbraw/zinc/41/13/53/432411353.db2.gz ZTKZWHNNPLOTIU-GFCCVEGCSA-N 1 1 320.780 3.351 20 5 DGBDMO O=[N+]([O-])c1cc(C[N@H+]2CCC[C@@H](c3cc[nH]n3)C2)ccc1Cl ZINC000153460719 432411358 /nfs/dbraw/zinc/41/13/58/432411358.db2.gz ZTKZWHNNPLOTIU-GFCCVEGCSA-N 1 1 320.780 3.351 20 5 DGBDMO COc1ccc([N+](=O)[O-])cc1C[N@@H+]1CCC[C@H]1c1ccncc1 ZINC000154105356 432473797 /nfs/dbraw/zinc/47/37/97/432473797.db2.gz XZCGBTWQHTXOBT-INIZCTEOSA-N 1 1 313.357 3.336 20 5 DGBDMO COc1ccc([N+](=O)[O-])cc1C[N@H+]1CCC[C@H]1c1ccncc1 ZINC000154105356 432473801 /nfs/dbraw/zinc/47/38/01/432473801.db2.gz XZCGBTWQHTXOBT-INIZCTEOSA-N 1 1 313.357 3.336 20 5 DGBDMO COc1cccc2c1CC[N@@H+](Cc1ccccc1[N+](=O)[O-])CC2 ZINC000193728895 432495362 /nfs/dbraw/zinc/49/53/62/432495362.db2.gz JSGFBGRKOLYAFW-UHFFFAOYSA-N 1 1 312.369 3.204 20 5 DGBDMO C[C@@H]1C[N@@H+](C[C@H](O)c2cccc([N+](=O)[O-])c2)[C@@H]1c1ccccc1 ZINC000154407202 432495911 /nfs/dbraw/zinc/49/59/11/432495911.db2.gz QZQVFPQAYQJCAT-BVGQSLNGSA-N 1 1 312.369 3.321 20 5 DGBDMO COCC[C@H]([NH2+]Cc1ccc(OC)c([N+](=O)[O-])c1)c1ccco1 ZINC000272406631 432495967 /nfs/dbraw/zinc/49/59/67/432495967.db2.gz BMFWXELCVYCXRG-ZDUSSCGKSA-N 1 1 320.345 3.064 20 5 DGBDMO Cc1nn(C)c(C)c1C[N@@H+](Cc1ccc([N+](=O)[O-])cc1)C(C)C ZINC000154965487 432532436 /nfs/dbraw/zinc/53/24/36/432532436.db2.gz YCESNOPNZKKFPF-UHFFFAOYSA-N 1 1 316.405 3.356 20 5 DGBDMO O=[N+]([O-])c1cc(C[NH+]2CCC(CCCO)CC2)ccc1Cl ZINC000273059403 432545197 /nfs/dbraw/zinc/54/51/97/432545197.db2.gz ZUWKHZLWGICHDD-UHFFFAOYSA-N 1 1 312.797 3.233 20 5 DGBDMO O=[N+]([O-])c1ccccc1/C=C/CNC1CC[NH+](C2CCC2)CC1 ZINC000263845454 432584051 /nfs/dbraw/zinc/58/40/51/432584051.db2.gz ZKSSXRRKKWXVBK-GQCTYLIASA-N 1 1 315.417 3.215 20 5 DGBDMO COc1ccc(C[N@H+](C)[C@H](C)c2ccccn2)cc1[N+](=O)[O-] ZINC000177101506 432586624 /nfs/dbraw/zinc/58/66/24/432586624.db2.gz QJZNNTUDSJEYKT-GFCCVEGCSA-N 1 1 301.346 3.191 20 5 DGBDMO COc1ccc(C[N@@H+](C)[C@H](C)c2ccccn2)cc1[N+](=O)[O-] ZINC000177101506 432586625 /nfs/dbraw/zinc/58/66/25/432586625.db2.gz QJZNNTUDSJEYKT-GFCCVEGCSA-N 1 1 301.346 3.191 20 5 DGBDMO Cc1ccc(C[N@H+]2CCSC3(CCOCC3)C2)cc1[N+](=O)[O-] ZINC000186488353 432601055 /nfs/dbraw/zinc/60/10/55/432601055.db2.gz KOXIBKYXWIXSBN-UHFFFAOYSA-N 1 1 322.430 3.001 20 5 DGBDMO C[C@@H]([N@@H+](C)Cc1nc(-c2ccc([N+](=O)[O-])cc2)no1)C1(C)CC1 ZINC000177252838 432604506 /nfs/dbraw/zinc/60/45/06/432604506.db2.gz ZPXAGDNJGXCOPY-LLVKDONJSA-N 1 1 316.361 3.265 20 5 DGBDMO C[C@H]1CC[N@@H+](CCc2ncc(-c3cccc([N+](=O)[O-])c3)o2)C1 ZINC000264206940 432626727 /nfs/dbraw/zinc/62/67/27/432626727.db2.gz RGLQDIMBVQPFHV-LBPRGKRZSA-N 1 1 301.346 3.134 20 5 DGBDMO CCCC[N@@H+](C)CC1CCN(c2nc(C)ccc2[N+](=O)[O-])CC1 ZINC000178179415 432702620 /nfs/dbraw/zinc/70/26/20/432702620.db2.gz DUQXOLWOOHJDJP-UHFFFAOYSA-N 1 1 320.437 3.247 20 5 DGBDMO O=[N+]([O-])c1ccc(-c2ccc(C[N@H+](CCO)C3CCC3)o2)cc1 ZINC000275919027 432760445 /nfs/dbraw/zinc/76/04/45/432760445.db2.gz GHCLVKODODFRHI-UHFFFAOYSA-N 1 1 316.357 3.202 20 5 DGBDMO CCOc1ncccc1C[NH2+][C@H](C)c1ccc([N+](=O)[O-])cc1 ZINC000178642769 432761627 /nfs/dbraw/zinc/76/16/27/432761627.db2.gz QXRKNQGDTHWNBV-GFCCVEGCSA-N 1 1 301.346 3.239 20 5 DGBDMO C[C@@H]1C[N@H+](C2CC2)C[C@@H]1Nc1ccc([N+](=O)[O-])c2cnccc12 ZINC000268199313 432855035 /nfs/dbraw/zinc/85/50/35/432855035.db2.gz XHCFEOLMPILLCI-BZNIZROVSA-N 1 1 312.373 3.038 20 5 DGBDMO Cc1cccc([N+](=O)[O-])c1NC(=O)C[N@H+](C)[C@@H]1CCCC[C@@H]1C ZINC000330657430 432922636 /nfs/dbraw/zinc/92/26/36/432922636.db2.gz OIHQQEUHFMMHGH-GXTWGEPZSA-N 1 1 319.405 3.352 20 5 DGBDMO O=C(CC[N@H+]1CCC[C@@H]2CCC[C@@H]21)Nc1ccc([N+](=O)[O-])cc1 ZINC000331518150 432946525 /nfs/dbraw/zinc/94/65/25/432946525.db2.gz FRTOJCHOCYJHBQ-BBRMVZONSA-N 1 1 317.389 3.188 20 5 DGBDMO O=[N+]([O-])c1ccc(C[N@H+]2CCC[C@@H](C3CC3)C2)c([N+](=O)[O-])c1 ZINC000289346812 432947166 /nfs/dbraw/zinc/94/71/66/432947166.db2.gz FSAVLFOACFXDAT-GFCCVEGCSA-N 1 1 305.334 3.125 20 5 DGBDMO O=[N+]([O-])c1ccc(C[NH2+][C@H](c2ccccc2)c2cncnc2)cc1 ZINC000349506013 432967862 /nfs/dbraw/zinc/96/78/62/432967862.db2.gz URASSZIGBVWSNL-GOSISDBHSA-N 1 1 320.352 3.264 20 5 DGBDMO C[C@H]1CCCC[C@H]1[N@@H+](C)Cc1nc2cc([N+](=O)[O-])ccc2[nH]1 ZINC000332159291 432978424 /nfs/dbraw/zinc/97/84/24/432978424.db2.gz KIKBSDVKIKMPEV-XHDPSFHLSA-N 1 1 302.378 3.482 20 5 DGBDMO CC[C@H]1CCC[N@H+]1Cc1nnc(-c2ccc([N+](=O)[O-])cc2)o1 ZINC000341169769 432982088 /nfs/dbraw/zinc/98/20/88/432982088.db2.gz ORLQXNLOTAECJK-LBPRGKRZSA-N 1 1 302.334 3.019 20 5 DGBDMO O=C1CCC(C[N@H+](Cc2ccc([N+](=O)[O-])cc2)C2CC2)CC1 ZINC000290112711 432994077 /nfs/dbraw/zinc/99/40/77/432994077.db2.gz SUKHHWJHMFRGIQ-UHFFFAOYSA-N 1 1 302.374 3.319 20 5 DGBDMO CO[C@@]1(C)CCC[N@@H+](C/C=C/c2ccccc2[N+](=O)[O-])CC1 ZINC000280146768 433004796 /nfs/dbraw/zinc/00/47/96/433004796.db2.gz DKSSBOFFIAXMLZ-JZLODUJNSA-N 1 1 304.390 3.499 20 5 DGBDMO CCOc1cc(C[N@H+]2CCC[C@@](C)(OC)CC2)ccc1[N+](=O)[O-] ZINC000280501244 433063394 /nfs/dbraw/zinc/06/33/94/433063394.db2.gz MYKKRCJYIFQWAI-QGZVFWFLSA-N 1 1 322.405 3.385 20 5 DGBDMO CSCC[C@H](C)[N@@H+](C)Cc1nc2cc([N+](=O)[O-])ccc2[nH]1 ZINC000361275199 433077918 /nfs/dbraw/zinc/07/79/18/433077918.db2.gz VOMDWDKHJVBJFP-JTQLQIEISA-N 1 1 308.407 3.045 20 5 DGBDMO CC1(C)C[N@@H+](Cc2ccc(-c3ccccc3[N+](=O)[O-])o2)C[C@@H]1O ZINC000280593326 433100124 /nfs/dbraw/zinc/10/01/24/433100124.db2.gz XPILNGDDMGDGNX-INIZCTEOSA-N 1 1 316.357 3.058 20 5 DGBDMO Cc1cc([N+](=O)[O-])ccc1C[NH2+][C@H]1COc2ccc(F)cc21 ZINC000341548659 433127110 /nfs/dbraw/zinc/12/71/10/433127110.db2.gz JTRQDEQOLITCMT-HNNXBMFYSA-N 1 1 302.305 3.266 20 5 DGBDMO Cc1ccc(C[NH2+][C@H]2COc3ccc(F)cc32)cc1[N+](=O)[O-] ZINC000341565481 433139366 /nfs/dbraw/zinc/13/93/66/433139366.db2.gz MMVABVUKMJQSCE-AWEZNQCLSA-N 1 1 302.305 3.266 20 5 DGBDMO C[C@H](Cc1ccccc1[N+](=O)[O-])[N@H+]1CCC[C@]2(CCOC2)C1 ZINC000453355797 433117267 /nfs/dbraw/zinc/11/72/67/433117267.db2.gz IUFLEEBGWLBVED-PBHICJAKSA-N 1 1 304.390 3.028 20 5 DGBDMO CC1=C(C)C[N@H+](Cc2nnc(-c3ccc([N+](=O)[O-])cc3)o2)CC1 ZINC000280783033 433174159 /nfs/dbraw/zinc/17/41/59/433174159.db2.gz QFTYKDQMRIUPJV-UHFFFAOYSA-N 1 1 314.345 3.187 20 5 DGBDMO CC1=C(C)C[N@@H+](Cc2nnc(-c3ccc([N+](=O)[O-])cc3)o2)CC1 ZINC000280783033 433174163 /nfs/dbraw/zinc/17/41/63/433174163.db2.gz QFTYKDQMRIUPJV-UHFFFAOYSA-N 1 1 314.345 3.187 20 5 DGBDMO CN(C(=O)C[N@@H+](C)[C@H]1CCC(C)(C)C1)c1ccc([N+](=O)[O-])cc1 ZINC000361469875 433188259 /nfs/dbraw/zinc/18/82/59/433188259.db2.gz OVVZXISENYTAFK-HNNXBMFYSA-N 1 1 319.405 3.068 20 5 DGBDMO CCC[C@@]1(COC)CCC[N@H+]1Cc1cc([N+](=O)[O-])ccc1OC ZINC000447390326 433192992 /nfs/dbraw/zinc/19/29/92/433192992.db2.gz GCEQYONLDJXWPO-KRWDZBQOSA-N 1 1 322.405 3.385 20 5 DGBDMO C/C(=C\c1cccc([N+](=O)[O-])c1)CN1CCC[C@H]2C[N@H+](C)C[C@H]21 ZINC000425361964 433201740 /nfs/dbraw/zinc/20/17/40/433201740.db2.gz YXTLPHZGCPGUDZ-JDZUMMNHSA-N 1 1 315.417 3.024 20 5 DGBDMO Cc1cc([N+](=O)[O-])c(C)cc1NC(=O)N[C@@H](C)C[N@H+](C)C(C)C ZINC000350594632 433218069 /nfs/dbraw/zinc/21/80/69/433218069.db2.gz BIVDAYAAVGPRQF-ZDUSSCGKSA-N 1 1 322.409 3.062 20 5 DGBDMO C[C@@H]1C[C@H](N[C@@H]2CCCc3ccc([N+](=O)[O-])cc32)CC[N@@H+]1C ZINC000447546469 433222968 /nfs/dbraw/zinc/22/29/68/433222968.db2.gz WBZVJYBEEINEKY-SUYBPPKGSA-N 1 1 303.406 3.045 20 5 DGBDMO C[C@@H]1C[C@H](N[C@@H]2CCCc3ccc([N+](=O)[O-])cc32)CC[N@H+]1C ZINC000447546469 433222973 /nfs/dbraw/zinc/22/29/73/433222973.db2.gz WBZVJYBEEINEKY-SUYBPPKGSA-N 1 1 303.406 3.045 20 5 DGBDMO O=[N+]([O-])c1ccc(CC[N@@H+]2Cc3ccc(O)cc3C3(CC3)C2)cc1 ZINC000361558100 433246751 /nfs/dbraw/zinc/24/67/51/433246751.db2.gz GCDDPHIQTCCWPU-UHFFFAOYSA-N 1 1 324.380 3.390 20 5 DGBDMO CCC[N@@H+](CCn1cc([N+](=O)[O-])cn1)[C@H]1CCc2ccccc21 ZINC000350732521 433267567 /nfs/dbraw/zinc/26/75/67/433267567.db2.gz PAIMDEWNWXDIBK-KRWDZBQOSA-N 1 1 314.389 3.191 20 5 DGBDMO C[N@H+]1CCC[C@]2(CCN(c3ccc(Cl)cc3[N+](=O)[O-])C2)C1 ZINC000338749068 433319826 /nfs/dbraw/zinc/31/98/26/433319826.db2.gz MUQNTDUWYMQOEE-HNNXBMFYSA-N 1 1 309.797 3.170 20 5 DGBDMO COc1cc(NC[C@H]2[N@@H+](C)CCCC2(C)C)ccc1[N+](=O)[O-] ZINC000447815301 433288789 /nfs/dbraw/zinc/28/87/89/433288789.db2.gz CVIIRMBIAUYAGU-OAHLLOKOSA-N 1 1 307.394 3.136 20 5 DGBDMO COCc1cc([N+](=O)[O-])ccc1NC[C@@H]1[N@@H+](C)CCCC1(C)C ZINC000447811847 433289365 /nfs/dbraw/zinc/28/93/65/433289365.db2.gz PHHKJRCMJCISRH-INIZCTEOSA-N 1 1 321.421 3.274 20 5 DGBDMO COCC[N@@H+](Cc1ccc([N+](=O)[O-])cc1F)[C@@H]1CC[C@H](C)C1 ZINC000361642194 433308894 /nfs/dbraw/zinc/30/88/94/433308894.db2.gz IBJINMYBMBSUSJ-GXTWGEPZSA-N 1 1 310.369 3.371 20 5 DGBDMO CCC[C@@]1(COC)CCC[N@H+]1Cc1cc([O-])ccc1[N+](=O)[O-] ZINC000339129966 433376823 /nfs/dbraw/zinc/37/68/23/433376823.db2.gz HIPZORBAIJIDED-INIZCTEOSA-N 1 1 308.378 3.082 20 5 DGBDMO C[N@H+]1CCC[C@H](CNc2ccc([N+](=O)[O-])c(C(F)(F)F)c2)C1 ZINC000301132257 433429711 /nfs/dbraw/zinc/42/97/11/433429711.db2.gz WGDLWIXIAHPNHF-SNVBAGLBSA-N 1 1 317.311 3.367 20 5 DGBDMO COCC[N@@H+](Cc1ccc(C)c([N+](=O)[O-])c1)[C@H]1CCCSC1 ZINC000448368421 433398228 /nfs/dbraw/zinc/39/82/28/433398228.db2.gz VSRHOGGBVHLGRG-HNNXBMFYSA-N 1 1 324.446 3.247 20 5 DGBDMO Cc1ccc([N+](=O)[O-])cc1[C@@H](C)[N@H+]1CC[C@@H](n2cccn2)C1 ZINC000292001288 433423410 /nfs/dbraw/zinc/42/34/10/433423410.db2.gz XKEXKNIZADJLLC-UKRRQHHQSA-N 1 1 300.362 3.108 20 5 DGBDMO COc1cc(C[N@H+]2CC[C@H](C)C[C@@H](C)C2)c([N+](=O)[O-])cc1OC ZINC000355105478 433464421 /nfs/dbraw/zinc/46/44/21/433464421.db2.gz HYWPTTSWAOHYSW-QWHCGFSZSA-N 1 1 322.405 3.480 20 5 DGBDMO C[C@@H]([NH2+]Cc1ccc([N+](=O)[O-])cc1)c1nc2c(s1)CCC2 ZINC000355120634 433475788 /nfs/dbraw/zinc/47/57/88/433475788.db2.gz MPUFLUOEQJBGCV-SNVBAGLBSA-N 1 1 303.387 3.391 20 5 DGBDMO Cc1ccnc(NCCCC[N@@H+]2CCCC[C@@H]2C)c1[N+](=O)[O-] ZINC000301279597 433484672 /nfs/dbraw/zinc/48/46/72/433484672.db2.gz JPMSLNAMOIHZNZ-AWEZNQCLSA-N 1 1 306.410 3.365 20 5 DGBDMO Cn1cc(C[N@@H+](C)[C@H]2CC2(C)C)c(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000426551051 433525802 /nfs/dbraw/zinc/52/58/02/433525802.db2.gz DVIZCJWCJLSHME-HNNXBMFYSA-N 1 1 314.389 3.226 20 5 DGBDMO CC[C@@]1(CO)CCC[N@H+](Cc2c(Cl)cccc2[N+](=O)[O-])C1 ZINC000426461597 433502810 /nfs/dbraw/zinc/50/28/10/433502810.db2.gz QADHJWMAGHYCQI-OAHLLOKOSA-N 1 1 312.797 3.233 20 5 DGBDMO CC[C@@]1(CO)CCC[N@@H+](Cc2c(Cl)cccc2[N+](=O)[O-])C1 ZINC000426461597 433502817 /nfs/dbraw/zinc/50/28/17/433502817.db2.gz QADHJWMAGHYCQI-OAHLLOKOSA-N 1 1 312.797 3.233 20 5 DGBDMO COCC[N@@H+](CCc1ccc([N+](=O)[O-])cc1)[C@@H]1CC[C@H](C)C1 ZINC000362153916 433550461 /nfs/dbraw/zinc/55/04/61/433550461.db2.gz YVKORNWWPBKISL-WMLDXEAASA-N 1 1 306.406 3.274 20 5 DGBDMO COCC[N@@H+](Cc1cc([N+](=O)[O-])ccc1OC)[C@@H]1CC[C@@H](C)C1 ZINC000362157531 433554261 /nfs/dbraw/zinc/55/42/61/433554261.db2.gz PTZJJTXWRQWFDX-UKRRQHHQSA-N 1 1 322.405 3.240 20 5 DGBDMO COCC[N@@H+](CCOc1ccccc1[N+](=O)[O-])[C@H]1CC[C@H](C)C1 ZINC000362158942 433556621 /nfs/dbraw/zinc/55/66/21/433556621.db2.gz AZAUOMFQTGZQJM-GJZGRUSLSA-N 1 1 322.405 3.111 20 5 DGBDMO COCc1cc([N+](=O)[O-])ccc1NC[C@@H](C)[N@H+]1CCC[C@H](C)C1 ZINC000301446865 433562137 /nfs/dbraw/zinc/56/21/37/433562137.db2.gz QHLQBGQPGIFXJM-UONOGXRCSA-N 1 1 321.421 3.274 20 5 DGBDMO CC(C)CN(C(=O)C[NH2+][C@H](C)c1ccccc1[N+](=O)[O-])C(C)C ZINC000342285259 433587447 /nfs/dbraw/zinc/58/74/47/433587447.db2.gz TZFVUGBTSFOILG-CQSZACIVSA-N 1 1 321.421 3.138 20 5 DGBDMO C[C@@H](O)c1ncc(C[NH2+]C(C)(C)c2ccccc2[N+](=O)[O-])s1 ZINC000292696264 433588287 /nfs/dbraw/zinc/58/82/87/433588287.db2.gz BWTJFUPKMQQKAR-SNVBAGLBSA-N 1 1 321.402 3.130 20 5 DGBDMO CC(C)C1(C)CC[NH+](CC(=O)Nc2ccccc2[N+](=O)[O-])CC1 ZINC000426777580 433595588 /nfs/dbraw/zinc/59/55/88/433595588.db2.gz OQNPSDXUCDAVPK-UHFFFAOYSA-N 1 1 319.405 3.291 20 5 DGBDMO CC[N@H+]1CCCC[C@H]1CNc1ccc([N+](=O)[O-])cc1COC ZINC000301534391 433599617 /nfs/dbraw/zinc/59/96/17/433599617.db2.gz LEYGLLRUHAVIFP-HNNXBMFYSA-N 1 1 307.394 3.028 20 5 DGBDMO Cc1cccc(N2CCC[C@H](c3[nH+]ccn3C)C2)c1[N+](=O)[O-] ZINC000375947725 433625063 /nfs/dbraw/zinc/62/50/63/433625063.db2.gz MEWPBDWDSBAQMU-ZDUSSCGKSA-N 1 1 300.362 3.021 20 5 DGBDMO Cc1nc(N[C@H](C)C[N@@H+]2C[C@H](C)C[C@H](C)C2)ccc1[N+](=O)[O-] ZINC000301663601 433661510 /nfs/dbraw/zinc/66/15/10/433661510.db2.gz VNTNRZPGJRQDIB-FRRDWIJNSA-N 1 1 306.410 3.077 20 5 DGBDMO C[C@@H](C[N@H+](C)Cc1ccccc1)NCc1cccc([N+](=O)[O-])c1 ZINC000342414741 433672671 /nfs/dbraw/zinc/67/26/71/433672671.db2.gz CSUYNBAYXMWAOS-HNNXBMFYSA-N 1 1 313.401 3.205 20 5 DGBDMO C[C@@H](C[N@@H+](C)Cc1ccccc1)NCc1cccc([N+](=O)[O-])c1 ZINC000342414741 433672679 /nfs/dbraw/zinc/67/26/79/433672679.db2.gz CSUYNBAYXMWAOS-HNNXBMFYSA-N 1 1 313.401 3.205 20 5 DGBDMO C[N@H+]1CCC[C@H]2CN(c3ccc([N+](=O)[O-])cc3Cl)CC[C@H]21 ZINC000301720856 433694168 /nfs/dbraw/zinc/69/41/68/433694168.db2.gz QBSMDZVHCLJBMR-SMDDNHRTSA-N 1 1 309.797 3.169 20 5 DGBDMO C[C@H]1COCC[N@@H+](Cc2ccc(-c3ccc([N+](=O)[O-])cc3)o2)C1 ZINC000370183080 293161574 /nfs/dbraw/zinc/16/15/74/293161574.db2.gz KABINHKAXAUXGU-CYBMUJFWSA-N 1 1 316.357 3.323 20 5 DGBDMO O=[N+]([O-])c1ccc(C[NH2+]Cc2cnc3n2CCCC3)c(Cl)c1 ZINC000370262572 293166606 /nfs/dbraw/zinc/16/66/06/293166606.db2.gz RHYXVEDCKNVEOX-UHFFFAOYSA-N 1 1 320.780 3.071 20 5 DGBDMO Cc1ccc(C)c([C@@H]2CCC[N@@H+]2Cc2c([N+](=O)[O-])ncn2C)c1 ZINC000370540694 293178084 /nfs/dbraw/zinc/17/80/84/293178084.db2.gz VYKCCYUNLARAJK-HNNXBMFYSA-N 1 1 314.389 3.282 20 5 DGBDMO Cc1nc(N[C@H](C)C[N@@H+](C)Cc2ccccc2)ccc1[N+](=O)[O-] ZINC000301980350 293341829 /nfs/dbraw/zinc/34/18/29/293341829.db2.gz AOWHHKLNFWNOCG-CYBMUJFWSA-N 1 1 314.389 3.231 20 5 DGBDMO Cc1c(C[N@H+]2CC[C@H](C3CCOCC3)C2)cccc1[N+](=O)[O-] ZINC000374340576 293386970 /nfs/dbraw/zinc/38/69/70/293386970.db2.gz KSSSREKNAJGSMC-INIZCTEOSA-N 1 1 304.390 3.152 20 5 DGBDMO O=[N+]([O-])c1cc(C[N@H+]2CC[C@@H]([C@H]3CCOC3)C2)ccc1Cl ZINC000374386825 293392608 /nfs/dbraw/zinc/39/26/08/293392608.db2.gz ADLSLJHZOGJAMD-OLZOCXBDSA-N 1 1 310.781 3.107 20 5 DGBDMO C[C@H](C(=O)Nc1cccc([N+](=O)[O-])c1)[N@H+]1CC[C@H](CC2CC2)C1 ZINC000339685307 433727623 /nfs/dbraw/zinc/72/76/23/433727623.db2.gz YEKXQUGIJXALOM-TZMCWYRMSA-N 1 1 317.389 3.044 20 5 DGBDMO O=[N+]([O-])c1ccc(C[N@@H+](CCc2cscn2)C2CC2)cc1 ZINC000283615202 433750708 /nfs/dbraw/zinc/75/07/08/433750708.db2.gz AGBBWGBEWYXQSH-UHFFFAOYSA-N 1 1 303.387 3.258 20 5 DGBDMO C/C(=C/c1cccc([N+](=O)[O-])c1)C[N@H+]1CC[C@H](CCCO)C1 ZINC000449792017 433805407 /nfs/dbraw/zinc/80/54/07/433805407.db2.gz RBCYRZFZJIPEGT-LTBFUDJGSA-N 1 1 304.390 3.093 20 5 DGBDMO C[C@@H]1[C@@H](Nc2ccc3ncccc3c2[N+](=O)[O-])CCC[N@H+]1C ZINC000343424071 433806781 /nfs/dbraw/zinc/80/67/81/433806781.db2.gz CIDIWZACOJMOLC-YPMHNXCESA-N 1 1 300.362 3.038 20 5 DGBDMO C[C@@H](C1CCC1)[N@@H+](C)Cc1cc([N+](=O)[O-])cc2c1OCOC2 ZINC000357014857 433821980 /nfs/dbraw/zinc/82/19/80/433821980.db2.gz YDLDWGWLXRCWNG-NSHDSACASA-N 1 1 306.362 3.082 20 5 DGBDMO NC[C@@H]([NH2+]C/C=C/c1ccccc1[N+](=O)[O-])C1CCCCC1 ZINC000414840059 433873808 /nfs/dbraw/zinc/87/38/08/433873808.db2.gz MDGKQGKTHXTWNZ-VGZDNEPHSA-N 1 1 303.406 3.105 20 5 DGBDMO C[C@@H](CCc1ccccc1[N+](=O)[O-])[NH2+]CC1(N)CCCCC1 ZINC000414846469 433875944 /nfs/dbraw/zinc/87/59/44/433875944.db2.gz SNHTZRSZVRYAST-AWEZNQCLSA-N 1 1 305.422 3.167 20 5 DGBDMO COc1ccc(OCC[N@@H+](C)[C@H](C)C2CCC2)c([N+](=O)[O-])c1 ZINC000357039770 433839640 /nfs/dbraw/zinc/83/96/40/433839640.db2.gz NVSQANTZPZHYRE-GFCCVEGCSA-N 1 1 308.378 3.103 20 5 DGBDMO C[NH+](C)C1(CN[C@H]2CC(C)(C)c3ccc([N+](=O)[O-])cc32)CCC1 ZINC000433100554 433844536 /nfs/dbraw/zinc/84/45/36/433844536.db2.gz MRQUJQDQNOWXNU-INIZCTEOSA-N 1 1 317.433 3.391 20 5 DGBDMO NC[C@@H]([NH2+]Cc1ccc(-c2ccc([N+](=O)[O-])cc2)s1)C1CC1 ZINC000414807443 433848162 /nfs/dbraw/zinc/84/81/62/433848162.db2.gz QZVNWTXYOHTWIX-OAHLLOKOSA-N 1 1 317.414 3.150 20 5 DGBDMO C[C@@H]1Oc2cc(F)ccc2[C@@H]1[NH2+]Cc1cccc([N+](=O)[O-])c1 ZINC000377384020 433867240 /nfs/dbraw/zinc/86/72/40/433867240.db2.gz UDJIUMWSPBIDNN-MGPLVRAMSA-N 1 1 302.305 3.346 20 5 DGBDMO O=C(CC[N@H+]1CCC[C@@H](C2CC2)C1)Nc1ccccc1[N+](=O)[O-] ZINC000377524846 433902742 /nfs/dbraw/zinc/90/27/42/433902742.db2.gz OTJDASLQXDAHGA-CQSZACIVSA-N 1 1 317.389 3.045 20 5 DGBDMO O=C(C[N@H+]1CCC[C@@H]1C1CC1)Nc1ccc(Cl)cc1[N+](=O)[O-] ZINC000377534629 433908580 /nfs/dbraw/zinc/90/85/80/433908580.db2.gz VTGGFFOQXZRARG-CYBMUJFWSA-N 1 1 323.780 3.061 20 5 DGBDMO O=[N+]([O-])c1ccn(CC[N@H+]2CCC[C@@H]2CCC2CCCC2)n1 ZINC000362954354 433922298 /nfs/dbraw/zinc/92/22/98/433922298.db2.gz JVUUKLKGFSNBGJ-OAHLLOKOSA-N 1 1 306.410 3.226 20 5 DGBDMO CCOC(=O)CCCCC[N@@H+](C)CCc1ccccc1[N+](=O)[O-] ZINC000285373532 433929621 /nfs/dbraw/zinc/92/96/21/433929621.db2.gz RBIYBRFRGBAKPT-UHFFFAOYSA-N 1 1 322.405 3.193 20 5 DGBDMO CCCC[N@@H+](C)CCNc1cc(C(F)(F)F)ncc1[N+](=O)[O-] ZINC000436395722 433958871 /nfs/dbraw/zinc/95/88/71/433958871.db2.gz XKCRVKLIWACFEH-UHFFFAOYSA-N 1 1 320.315 3.152 20 5 DGBDMO CCOC1CC2(C1)CC[N@@H+](Cc1ccc([N+](=O)[O-])c(F)c1)C2 ZINC000285550642 433987807 /nfs/dbraw/zinc/98/78/07/433987807.db2.gz ROMJGXSGNGFCFG-UHFFFAOYSA-N 1 1 308.353 3.125 20 5 DGBDMO O=[N+]([O-])c1cccc2c1ccnc2N[C@H]1CC[N@H+]2CCCC[C@@H]12 ZINC000450257968 434061906 /nfs/dbraw/zinc/06/19/06/434061906.db2.gz YJOCRMYECBBMGR-HOCLYGCPSA-N 1 1 312.373 3.182 20 5 DGBDMO CC[N@H+]1CCC[C@H](CNc2nccc3c2cccc3[N+](=O)[O-])C1 ZINC000450289264 434086679 /nfs/dbraw/zinc/08/66/79/434086679.db2.gz OPTJVSWXBFLXJL-CYBMUJFWSA-N 1 1 314.389 3.287 20 5 DGBDMO N[C@@H]1CCCCC[C@H]1[NH2+]CCCCc1ccc([N+](=O)[O-])cc1 ZINC000422918507 434109890 /nfs/dbraw/zinc/10/98/90/434109890.db2.gz IJPOJLRWFHNFPY-IAGOWNOFSA-N 1 1 305.422 3.167 20 5 DGBDMO CC(C)C[C@H](C)C[N@H+]1CC[C@H](Nc2ccc([N+](=O)[O-])cn2)C1 ZINC000499537076 294087688 /nfs/dbraw/zinc/08/76/88/294087688.db2.gz HLJSACTVYVQROX-KBPBESRZSA-N 1 1 306.410 3.158 20 5 DGBDMO CC(C)(C)[C@@H]1CC[N@@H+](CCC(=O)Nc2ccccc2[N+](=O)[O-])C1 ZINC000501055313 294130261 /nfs/dbraw/zinc/13/02/61/294130261.db2.gz BELWHPVJDCTATF-CYBMUJFWSA-N 1 1 319.405 3.291 20 5 DGBDMO COc1ccc(C[NH2+][C@@H](C)c2cc(C)ccn2)cc1[N+](=O)[O-] ZINC000286114322 434165364 /nfs/dbraw/zinc/16/53/64/434165364.db2.gz NURIWWLUTQEBRY-LBPRGKRZSA-N 1 1 301.346 3.158 20 5 DGBDMO CC[N@H+]1C[C@@H](C)N(c2nccc3cc([N+](=O)[O-])ccc32)C[C@@H]1C ZINC000450411867 434159010 /nfs/dbraw/zinc/15/90/10/434159010.db2.gz OGYUJIIBPUULBU-QWHCGFSZSA-N 1 1 314.389 3.062 20 5 DGBDMO O=[N+]([O-])c1cccc(Cl)c1C[N@@H+]1CC[C@@]2(O)CCCC[C@H]2C1 ZINC000316227681 434184884 /nfs/dbraw/zinc/18/48/84/434184884.db2.gz BKZBZMWZEABCPK-LRDDRELGSA-N 1 1 324.808 3.375 20 5 DGBDMO O=[N+]([O-])c1cccc(Cl)c1C[N@H+]1CC[C@@]2(O)CCCC[C@H]2C1 ZINC000316227681 434184895 /nfs/dbraw/zinc/18/48/95/434184895.db2.gz BKZBZMWZEABCPK-LRDDRELGSA-N 1 1 324.808 3.375 20 5 DGBDMO C[C@@H]1CC[N@@H+](Cc2c([N+](=O)[O-])ncn2C)CC12CCCCC2 ZINC000363951387 434192710 /nfs/dbraw/zinc/19/27/10/434192710.db2.gz WPXBPGIUJALEGI-CYBMUJFWSA-N 1 1 306.410 3.121 20 5 DGBDMO CCOc1cc(N[C@@H]2CC[N@H+]3CCC[C@@H]3C2)ccc1[N+](=O)[O-] ZINC000317108051 434195658 /nfs/dbraw/zinc/19/56/58/434195658.db2.gz BXXCWDJNEDQLMR-ZIAGYGMSSA-N 1 1 305.378 3.032 20 5 DGBDMO CCc1ccc([C@H]([NH2+][C@@H](CC)CO)c2ccc([N+](=O)[O-])cc2)o1 ZINC000437088049 434209143 /nfs/dbraw/zinc/20/91/43/434209143.db2.gz PSHUHJHJSQTOPD-SUMWQHHRSA-N 1 1 318.373 3.200 20 5 DGBDMO Cc1cc(N[C@H]2CC[N@H+](C)[C@H](C)C2)c2cc([N+](=O)[O-])ccc2n1 ZINC000322737227 434262335 /nfs/dbraw/zinc/26/23/35/434262335.db2.gz XKBMCBZBYZBBSM-OLZOCXBDSA-N 1 1 314.389 3.346 20 5 DGBDMO Cc1cc(N[C@H]2CC[N@@H+](C)[C@H](C)C2)c2cc([N+](=O)[O-])ccc2n1 ZINC000322737227 434262339 /nfs/dbraw/zinc/26/23/39/434262339.db2.gz XKBMCBZBYZBBSM-OLZOCXBDSA-N 1 1 314.389 3.346 20 5 DGBDMO COc1ccc(Cn2c[nH+]c3c2C[C@@H](C)[C@@H](C)C3)cc1[N+](=O)[O-] ZINC000323871841 434266403 /nfs/dbraw/zinc/26/64/03/434266403.db2.gz LSGWMLDGCLDZFW-NWDGAFQWSA-N 1 1 315.373 3.219 20 5 DGBDMO Cc1c(C[N@@H+]2CCN(C)c3ccccc3C2)cccc1[N+](=O)[O-] ZINC000340650561 434269552 /nfs/dbraw/zinc/26/95/52/434269552.db2.gz JMUPUCOCGWSMER-UHFFFAOYSA-N 1 1 311.385 3.355 20 5 DGBDMO C[C@@H](O)C[C@H]1CCCCC[N@H+]1CCc1ccc([N+](=O)[O-])cc1 ZINC000319298138 434222514 /nfs/dbraw/zinc/22/25/14/434222514.db2.gz OJEZETPVQQVSSA-RHSMWYFYSA-N 1 1 306.406 3.153 20 5 DGBDMO CC(C)[N@H+](C)C[C@H](C)N[C@H]1CCCc2ccc([N+](=O)[O-])cc21 ZINC000353568478 434232692 /nfs/dbraw/zinc/23/26/92/434232692.db2.gz JMJAWCHZGRTCJZ-GUYCJALGSA-N 1 1 305.422 3.291 20 5 DGBDMO CC(C)N(C)C[C@H](C)[NH2+][C@H]1CCCc2ccc([N+](=O)[O-])cc21 ZINC000353568478 434232694 /nfs/dbraw/zinc/23/26/94/434232694.db2.gz JMJAWCHZGRTCJZ-GUYCJALGSA-N 1 1 305.422 3.291 20 5 DGBDMO CC(C)[N@H+](C)C[C@@H](C)N[C@H]1CCCc2ccc([N+](=O)[O-])cc21 ZINC000353568477 434235482 /nfs/dbraw/zinc/23/54/82/434235482.db2.gz JMJAWCHZGRTCJZ-DYVFJYSZSA-N 1 1 305.422 3.291 20 5 DGBDMO CC(C)N(C)C[C@@H](C)[NH2+][C@H]1CCCc2ccc([N+](=O)[O-])cc21 ZINC000353568477 434235488 /nfs/dbraw/zinc/23/54/88/434235488.db2.gz JMJAWCHZGRTCJZ-DYVFJYSZSA-N 1 1 305.422 3.291 20 5 DGBDMO CCC[C@H](N[C@H](C)[C@H]1CCC[NH2+]C1)c1cccc([N+](=O)[O-])c1 ZINC000423206386 434284333 /nfs/dbraw/zinc/28/43/33/434284333.db2.gz BYAURTLOWPIYOI-KMFMINBZSA-N 1 1 305.422 3.414 20 5 DGBDMO Cc1ccc([C@H](C)[NH2+][C@H](CN)C2CCCCC2)cc1[N+](=O)[O-] ZINC000423266386 434324523 /nfs/dbraw/zinc/32/45/23/434324523.db2.gz RUTPLPYMAVPRNA-XJKSGUPXSA-N 1 1 305.422 3.461 20 5 DGBDMO CC(C)C[C@@H](CN)[NH2+][C@@H]1CC(C)(C)c2ccc([N+](=O)[O-])cc21 ZINC000423272554 434330006 /nfs/dbraw/zinc/33/00/06/434330006.db2.gz ZDSCLTWEQJVAER-BLLLJJGKSA-N 1 1 305.422 3.280 20 5 DGBDMO O=[N+]([O-])c1cccc([C@H](NCC2=CC[NH2+]CC2)c2ccccc2)c1 ZINC000423347371 434374853 /nfs/dbraw/zinc/37/48/53/434374853.db2.gz QGPJSXRIMMUOTF-LJQANCHMSA-N 1 1 323.396 3.194 20 5 DGBDMO CC[C@@H]1C[N@@H+](CC)CCN1c1nc2ccccc2cc1[N+](=O)[O-] ZINC000450830257 434428764 /nfs/dbraw/zinc/42/87/64/434428764.db2.gz NPWNQJINDONEQV-CQSZACIVSA-N 1 1 314.389 3.064 20 5 DGBDMO C[N@@H+](CCc1ccccc1[N+](=O)[O-])Cc1ccc2c(c1)CCO2 ZINC000348670285 434441467 /nfs/dbraw/zinc/44/14/67/434441467.db2.gz IQEASXDUDFOOMR-UHFFFAOYSA-N 1 1 312.369 3.204 20 5 DGBDMO CCC1(CC)CC[N@@H+](CC(=O)N(C)c2ccc([N+](=O)[O-])cc2)C1 ZINC000438486407 434490712 /nfs/dbraw/zinc/49/07/12/434490712.db2.gz PKZWAJKAKYZAGC-UHFFFAOYSA-N 1 1 319.405 3.070 20 5 DGBDMO C[C@@H]([NH2+]Cc1c([N+](=O)[O-])ncn1C)c1ccc2ccccc2c1 ZINC000341069137 434527678 /nfs/dbraw/zinc/52/76/78/434527678.db2.gz NXHMWCFHTWZCJL-GFCCVEGCSA-N 1 1 310.357 3.332 20 5 DGBDMO C[C@H]1C[C@H](c2ccccc2)CC[N@H+]1CCn1ccc([N+](=O)[O-])n1 ZINC000366877520 434529289 /nfs/dbraw/zinc/52/92/89/434529289.db2.gz CFGATMWJYYSRNL-GOEBONIOSA-N 1 1 314.389 3.059 20 5 DGBDMO Cc1ccc([N+](=O)[O-])cc1[C@H](C)[N@H+]1CC[C@@H]2C[C@H](O)CC[C@@H]2C1 ZINC000451705418 434578173 /nfs/dbraw/zinc/57/81/73/434578173.db2.gz YNEYQYLBTAMGPG-KLZNWCGWSA-N 1 1 318.417 3.447 20 5 DGBDMO COc1cc(C[NH+]2CC3(C2)CCCCC3)c([N+](=O)[O-])cc1OC ZINC000459596116 434624673 /nfs/dbraw/zinc/62/46/73/434624673.db2.gz NCKUCTRHJJZMJB-UHFFFAOYSA-N 1 1 320.389 3.378 20 5 DGBDMO Cc1cccc(NCCNc2c(F)cc([N+](=O)[O-])cc2F)[nH+]1 ZINC000440603967 434724123 /nfs/dbraw/zinc/72/41/23/434724123.db2.gz RBCQAVQODWPCDR-UHFFFAOYSA-N 1 1 308.288 3.100 20 5 DGBDMO CC1(C)CCC[N@@H+](CCNc2c3c(ccc2[N+](=O)[O-])NCC3)C1 ZINC000443959505 434783601 /nfs/dbraw/zinc/78/36/01/434783601.db2.gz HTVSGUZZRYGOTA-UHFFFAOYSA-N 1 1 318.421 3.097 20 5 DGBDMO Cc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@@H+]1C[C@H](C)[C@@H](C)[C@@H]1C ZINC000419372735 434781466 /nfs/dbraw/zinc/78/14/66/434781466.db2.gz MWPZYELLZMMWPM-MJBXVCDLSA-N 1 1 319.405 3.208 20 5 DGBDMO C[C@H]1CC(C)(C)C[N@H+]1Cc1nnc(-c2ccc([N+](=O)[O-])cc2)o1 ZINC000412041512 434858980 /nfs/dbraw/zinc/85/89/80/434858980.db2.gz LNOHZBAZTGYWNV-NSHDSACASA-N 1 1 316.361 3.265 20 5 DGBDMO CCC[N@@H+](C)C[C@H]1CCN(c2cc(C)c([N+](=O)[O-])cc2F)C1 ZINC000461965021 434894827 /nfs/dbraw/zinc/89/48/27/434894827.db2.gz LTXXZFPZAZIEFT-CYBMUJFWSA-N 1 1 309.385 3.210 20 5 DGBDMO CCC(=O)c1ccc(NC[C@@H]2CC[N@H+](C3CC3)C2)c([N+](=O)[O-])c1 ZINC000573387152 434896252 /nfs/dbraw/zinc/89/62/52/434896252.db2.gz MNKVGYNFSLWGPD-LBPRGKRZSA-N 1 1 317.389 3.084 20 5 DGBDMO O=[N+]([O-])c1cccc2c1CC[C@H]2[N@H+]1CCC[C@@]2(CCOC2)C1 ZINC000573815499 434929029 /nfs/dbraw/zinc/92/90/29/434929029.db2.gz RKTHXDRICYAUJO-NVXWUHKLSA-N 1 1 302.374 3.085 20 5 DGBDMO O=[N+]([O-])c1cccc(Cl)c1C[N@H+]1CCC[C@H]([C@@H]2CCOC2)C1 ZINC000492175883 434930562 /nfs/dbraw/zinc/93/05/62/434930562.db2.gz NVTVMZGGXZXJJK-QWHCGFSZSA-N 1 1 324.808 3.497 20 5 DGBDMO CC1(C)C[N@@H+](CC(=O)Nc2ccccc2[N+](=O)[O-])[C@@H]2CCC[C@@H]21 ZINC000555721857 434985007 /nfs/dbraw/zinc/98/50/07/434985007.db2.gz XOXBRHINEMFUHC-GXTWGEPZSA-N 1 1 317.389 3.044 20 5 DGBDMO CCC[C@@H]1CCC[N@@H+](CCC(=O)Nc2ccc([N+](=O)[O-])cc2)C1 ZINC000466471718 435078937 /nfs/dbraw/zinc/07/89/37/435078937.db2.gz FTGHCKHSMOAZHY-CQSZACIVSA-N 1 1 319.405 3.436 20 5 DGBDMO Cn1c2ccccc2[nH+]c1NCc1ccc([N+](=O)[O-])cc1Cl ZINC000466486144 435079079 /nfs/dbraw/zinc/07/90/79/435079079.db2.gz HHWQCSNDMXACCF-UHFFFAOYSA-N 1 1 316.748 3.747 20 5 DGBDMO COc1ccc(OCC[N@H+]2CC[C@@H](CC(C)C)C2)c([N+](=O)[O-])c1 ZINC000466741983 435091316 /nfs/dbraw/zinc/09/13/16/435091316.db2.gz VFWSDJBZMSBYQF-AWEZNQCLSA-N 1 1 322.405 3.350 20 5 DGBDMO O=[N+]([O-])c1ccc(OCC[N@H+]2CCC[C@@H]2c2ccccn2)cc1 ZINC000530724508 435047388 /nfs/dbraw/zinc/04/73/88/435047388.db2.gz VBVFQVKKUIYQIF-QGZVFWFLSA-N 1 1 313.357 3.206 20 5 DGBDMO CC(C)C[C@@]1(CO)CCC[N@H+]1C/C=C\c1ccccc1[N+](=O)[O-] ZINC000475377995 435193891 /nfs/dbraw/zinc/19/38/91/435193891.db2.gz CQEAPJBIKYCJSJ-GNJLHFKMSA-N 1 1 318.417 3.481 20 5 DGBDMO CC[C@H]1CCC[N@@H+](CC(=O)Nc2cc([N+](=O)[O-])ccc2C)CC1 ZINC000532978524 435203607 /nfs/dbraw/zinc/20/36/07/435203607.db2.gz UBUKFSLDHDLRBH-AWEZNQCLSA-N 1 1 319.405 3.354 20 5 DGBDMO CC[N@@H+](CCC(=O)Nc1ccc([N+](=O)[O-])cc1C)C1CCC1 ZINC000533436488 435238642 /nfs/dbraw/zinc/23/86/42/435238642.db2.gz JJTMATBOSAPGKL-UHFFFAOYSA-N 1 1 305.378 3.106 20 5 DGBDMO CC[C@@H]1CC[C@H](C)[N@H+]1CCOc1ccc(OC)cc1[N+](=O)[O-] ZINC000536745148 435408619 /nfs/dbraw/zinc/40/86/19/435408619.db2.gz GXVZNFLBEBDMKU-QWHCGFSZSA-N 1 1 308.378 3.245 20 5 DGBDMO CCC[N@@H+]1CCC[C@H]1CNC/C(C)=C/c1cccc([N+](=O)[O-])c1 ZINC000513100109 435376603 /nfs/dbraw/zinc/37/66/03/435376603.db2.gz GSYPEJRLWWUTLD-OTMARIDSSA-N 1 1 317.433 3.462 20 5 DGBDMO CCC[N@H+]1CCC[C@H]1CNC/C(C)=C/c1cccc([N+](=O)[O-])c1 ZINC000513100109 435376609 /nfs/dbraw/zinc/37/66/09/435376609.db2.gz GSYPEJRLWWUTLD-OTMARIDSSA-N 1 1 317.433 3.462 20 5 DGBDMO C[C@@H]1C[C@H](C)C[N@@H+]1Cc1coc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000536363797 435379548 /nfs/dbraw/zinc/37/95/48/435379548.db2.gz SADWVVJRDNQZPT-NWDGAFQWSA-N 1 1 301.346 3.480 20 5 DGBDMO CC(C)[C@@H](C[NH2+][C@@H]1CCc2c1cccc2[N+](=O)[O-])N1CCCC1 ZINC000569472906 435536915 /nfs/dbraw/zinc/53/69/15/435536915.db2.gz SRRVVYFNYIXIDC-SJLPKXTDSA-N 1 1 317.433 3.292 20 5 DGBDMO CC(C)CC[C@H]1CCC[N@H+]1CC(=O)Nc1ccccc1[N+](=O)[O-] ZINC000486808330 435615522 /nfs/dbraw/zinc/61/55/22/435615522.db2.gz CLCDMRVADAPBAE-CQSZACIVSA-N 1 1 319.405 3.434 20 5 DGBDMO Cc1ccc([N+](=O)[O-])c(N2CC[N@H+]([C@@H]3C[C@H]3C)C[C@@H](C)C2)c1 ZINC000488727928 435642377 /nfs/dbraw/zinc/64/23/77/435642377.db2.gz DYJFLSXIJFPDEZ-IIAWOOMASA-N 1 1 303.406 3.070 20 5 DGBDMO C[C@@H]1C[N@@H+](C)C[C@H]1C(=O)Nc1ccc(C(C)(C)C)c([N+](=O)[O-])c1 ZINC000488333123 435637265 /nfs/dbraw/zinc/63/72/65/435637265.db2.gz CMPDZNSFBVDGBJ-DGCLKSJQSA-N 1 1 319.405 3.029 20 5 DGBDMO CN(CC[N@@H+](C)CCc1cccc([N+](=O)[O-])c1)c1ccccc1 ZINC000548935106 435729730 /nfs/dbraw/zinc/72/97/30/435729730.db2.gz BMLYVVOFRFSQLI-UHFFFAOYSA-N 1 1 313.401 3.206 20 5 DGBDMO C[N@@H+](CCc1ccc([N+](=O)[O-])cc1)Cc1cc(C(C)(C)C)n[nH]1 ZINC000572088381 435779402 /nfs/dbraw/zinc/77/94/02/435779402.db2.gz ADWRRYYUJHGTDE-UHFFFAOYSA-N 1 1 316.405 3.290 20 5 DGBDMO CCC(=O)c1ccc(N[C@@H]2CC[N@H+]3CCC[C@@H]3C2)c([N+](=O)[O-])c1 ZINC000377086713 313014772 /nfs/dbraw/zinc/01/47/72/313014772.db2.gz OUSYNRAZYKQPRB-ZIAGYGMSSA-N 1 1 317.389 3.226 20 5 DGBDMO Cc1ccc([N+](=O)[O-])cc1NC(=O)C[N@H+]1CC[C@H](C(C)(C)C)C1 ZINC000543248401 314124227 /nfs/dbraw/zinc/12/42/27/314124227.db2.gz ZRUITYWTSXWETN-ZDUSSCGKSA-N 1 1 319.405 3.210 20 5 DGBDMO Cc1ccc([N+](=O)[O-])cc1NC(=O)C[N@H+]1CC[C@@H](C)C(C)(C)C1 ZINC000544786357 314211249 /nfs/dbraw/zinc/21/12/49/314211249.db2.gz ZLFOXJVVFGAFRO-CYBMUJFWSA-N 1 1 319.405 3.210 20 5 DGBDMO Cc1ccc([N+](=O)[O-])cc1NC(=O)C[N@@H+]1CC[C@@H](C)C(C)(C)C1 ZINC000544786357 314211252 /nfs/dbraw/zinc/21/12/52/314211252.db2.gz ZLFOXJVVFGAFRO-CYBMUJFWSA-N 1 1 319.405 3.210 20 5 DGBDMO C[C@@H]([NH3+])C[C@H](C)NCc1ccc(-c2ccccc2[N+](=O)[O-])o1 ZINC000564973729 315216192 /nfs/dbraw/zinc/21/61/92/315216192.db2.gz PUBLCMIQVWXOIN-NEPJUHHUSA-N 1 1 303.362 3.070 20 5 DGBDMO COC(=O)c1oc(C[NH2+][C@H](C)c2cccc([N+](=O)[O-])c2)cc1C ZINC000180436762 323229548 /nfs/dbraw/zinc/22/95/48/323229548.db2.gz AXTGCUKWXOALGL-LLVKDONJSA-N 1 1 318.329 3.134 20 5 DGBDMO O=[N+]([O-])c1ccc(C[N@H+]2CC[C@@H](c3cccnc3)C2)c(F)c1 ZINC000582358461 324220948 /nfs/dbraw/zinc/22/09/48/324220948.db2.gz XVQMPXGELLFPQT-CYBMUJFWSA-N 1 1 301.321 3.118 20 5 DGBDMO COc1cc(C[N@@H+](C)[C@H]2CC[C@H](C)C2)c([N+](=O)[O-])cc1OC ZINC000433036849 533793151 /nfs/dbraw/zinc/79/31/51/533793151.db2.gz ZNLGTRPFZNNXQL-AAEUAGOBSA-N 1 1 308.378 3.232 20 5 DGBDMO Cc1c(C[N@@H+]2CCCCC[C@H]2C[C@H](C)O)cccc1[N+](=O)[O-] ZINC000318457787 533843621 /nfs/dbraw/zinc/84/36/21/533843621.db2.gz QLYFYYSZPUIVMA-BBRMVZONSA-N 1 1 306.406 3.419 20 5 DGBDMO Cc1ccc(CNCC[N@@H+]2CCCC(C)(C)C2)cc1[N+](=O)[O-] ZINC000444030152 534058004 /nfs/dbraw/zinc/05/80/04/534058004.db2.gz JCDGSRAXHKMFHM-UHFFFAOYSA-N 1 1 305.422 3.115 20 5 DGBDMO Cc1ccc(CNCC[N@H+]2CCCC(C)(C)C2)cc1[N+](=O)[O-] ZINC000444030152 534058007 /nfs/dbraw/zinc/05/80/07/534058007.db2.gz JCDGSRAXHKMFHM-UHFFFAOYSA-N 1 1 305.422 3.115 20 5 DGBDMO Cc1ccc([N+](=O)[O-])cc1NC(=O)C[N@@H+]1CCC[C@H](C(C)C)C1 ZINC000444754969 534339020 /nfs/dbraw/zinc/33/90/20/534339020.db2.gz VHNDIMMRXLYMSN-AWEZNQCLSA-N 1 1 319.405 3.210 20 5 DGBDMO O=[N+]([O-])c1cccc(Cl)c1C[N@@H+]1CC[C@H](O)C12CCCC2 ZINC000433028778 534885862 /nfs/dbraw/zinc/88/58/62/534885862.db2.gz DCDZXILDKKRHRU-AWEZNQCLSA-N 1 1 310.781 3.128 20 5 DGBDMO Cc1c([C@H](C)NCC[N@@H+]2CCC[C@H](C)C2)cccc1[N+](=O)[O-] ZINC000156684351 525914800 /nfs/dbraw/zinc/91/48/00/525914800.db2.gz MFFFKMPVPWPOKG-ZFWWWQNUSA-N 1 1 305.422 3.286 20 5 DGBDMO Cc1c([C@H](C)NCC[N@H+]2CCC[C@H](C)C2)cccc1[N+](=O)[O-] ZINC000156684351 525914804 /nfs/dbraw/zinc/91/48/04/525914804.db2.gz MFFFKMPVPWPOKG-ZFWWWQNUSA-N 1 1 305.422 3.286 20 5 DGBDMO CC(C)[N@H+](Cc1nc2cc([N+](=O)[O-])ccc2[nH]1)CC1CCC1 ZINC000444768501 528965384 /nfs/dbraw/zinc/96/53/84/528965384.db2.gz UCLDLJWMOCMLFF-UHFFFAOYSA-N 1 1 302.378 3.482 20 5 DGBDMO CC1(C)CC[N@@H+](CCOc2ccc([N+](=O)[O-])cc2)CCS1 ZINC000434712930 529009738 /nfs/dbraw/zinc/00/97/38/529009738.db2.gz XHBBPLNQQDCKBD-UHFFFAOYSA-N 1 1 310.419 3.191 20 5 DGBDMO CC[N@H+]1CCC[C@H](CNc2nccc3ccc([N+](=O)[O-])cc32)C1 ZINC000413094805 529086508 /nfs/dbraw/zinc/08/65/08/529086508.db2.gz QVPQJJJNTDZODY-CYBMUJFWSA-N 1 1 314.389 3.287 20 5 DGBDMO CN(C)c1ncc(C[NH2+]C(C)(C)c2ccccc2[N+](=O)[O-])s1 ZINC000492101331 536159806 /nfs/dbraw/zinc/15/98/06/536159806.db2.gz BJMVKMOZWQTLQA-UHFFFAOYSA-N 1 1 320.418 3.142 20 5 DGBDMO COC[C@H]1CCC[N@@H+](Cc2c(Cl)cccc2[N+](=O)[O-])CC1 ZINC000452107403 536525165 /nfs/dbraw/zinc/52/51/65/536525165.db2.gz SNXFJKANYHGQNT-LBPRGKRZSA-N 1 1 312.797 3.497 20 5 DGBDMO C[C@@H](C(=O)OCc1c(F)cccc1[N+](=O)[O-])[N@H+]1[C@H](C)CC[C@@H]1C ZINC000741017241 574524090 /nfs/dbraw/zinc/52/40/90/574524090.db2.gz BVGVDISHVYJINT-TUAOUCFPSA-N 1 1 324.352 3.038 20 5 DGBDMO C[C@@H](C(=O)OCc1c(F)cccc1[N+](=O)[O-])[N@@H+]1[C@H](C)CC[C@@H]1C ZINC000741017241 574524092 /nfs/dbraw/zinc/52/40/92/574524092.db2.gz BVGVDISHVYJINT-TUAOUCFPSA-N 1 1 324.352 3.038 20 5 DGBDMO C[N@@H+](CCNc1nc2ccc([N+](=O)[O-])cc2s1)C1CCCC1 ZINC000731208557 574545113 /nfs/dbraw/zinc/54/51/13/574545113.db2.gz LXISXXKXMGGCBA-UHFFFAOYSA-N 1 1 320.418 3.491 20 5 DGBDMO C[C@H]([NH2+]CCCCc1ccc([N+](=O)[O-])cc1)C(=O)OC(C)(C)C ZINC000739999376 574917578 /nfs/dbraw/zinc/91/75/78/574917578.db2.gz LADWTKNMTHTGEJ-ZDUSSCGKSA-N 1 1 322.405 3.237 20 5 DGBDMO C[C@H](C(=O)OCc1c(F)cccc1[N+](=O)[O-])[NH+]1CCCCCC1 ZINC000741028763 574949229 /nfs/dbraw/zinc/94/92/29/574949229.db2.gz IDSYHSDDEMJTBE-GFCCVEGCSA-N 1 1 324.352 3.042 20 5 DGBDMO COCc1cc([N+](=O)[O-])ccc1N(C)CC[C@H]1CCCC[N@H+]1C ZINC000747223517 575506674 /nfs/dbraw/zinc/50/66/74/575506674.db2.gz NDBDBSCOYMLXHT-OAHLLOKOSA-N 1 1 321.421 3.052 20 5 DGBDMO CCc1ccc(C[N@@H+](C)C[C@@H](O)c2cccc([N+](=O)[O-])c2)cc1 ZINC000749645970 575670473 /nfs/dbraw/zinc/67/04/73/575670473.db2.gz JEYZBRWZACZZGH-GOSISDBHSA-N 1 1 314.385 3.323 20 5 DGBDMO O=[N+]([O-])c1cccc([C@H](O)C[N@H+]2CCCc3sccc3C2)c1 ZINC000750065671 575701583 /nfs/dbraw/zinc/70/15/83/575701583.db2.gz CUNPTRGJUCOHTK-OAHLLOKOSA-N 1 1 318.398 3.138 20 5 DGBDMO C[C@@]1(CCc2ccccc2)CC[N@H+](Cn2cc([N+](=O)[O-])cn2)C1 ZINC000751606642 575792992 /nfs/dbraw/zinc/79/29/92/575792992.db2.gz XPXYUGULLZVUEO-QGZVFWFLSA-N 1 1 314.389 3.094 20 5 DGBDMO C[C@@]1(CCc2ccccc2)CC[N@@H+](Cn2cc([N+](=O)[O-])cn2)C1 ZINC000751606642 575792994 /nfs/dbraw/zinc/79/29/94/575792994.db2.gz XPXYUGULLZVUEO-QGZVFWFLSA-N 1 1 314.389 3.094 20 5 DGBDMO CC(C)[N@@H+](C)CC1CCN(Cc2cc(F)ccc2[N+](=O)[O-])CC1 ZINC000728572259 576189128 /nfs/dbraw/zinc/18/91/28/576189128.db2.gz VWKVZSNBJGYWAJ-UHFFFAOYSA-N 1 1 323.412 3.286 20 5 DGBDMO O=[N+]([O-])c1ccc([C@H](O)C[N@H+]2CCC[C@@H]3CCCC[C@@H]32)cc1 ZINC000852787884 620648745 /nfs/dbraw/zinc/64/87/45/620648745.db2.gz QIQYWJRRBIPMJB-RRQGHBQHSA-N 1 1 304.390 3.283 20 5 DGBDMO Cc1cn(Cc2cc([N+](=O)[O-])ccc2Br)c(C)[nH+]1 ZINC000917359158 620665549 /nfs/dbraw/zinc/66/55/49/620665549.db2.gz LJBOGNGQDJPSTD-UHFFFAOYSA-N 1 1 310.151 3.219 20 5 DGBDMO CCC[N@H+]1CC[C@@H](Nc2nc3ccc([N+](=O)[O-])cc3s2)C1 ZINC000853906361 620751539 /nfs/dbraw/zinc/75/15/39/620751539.db2.gz NLKIWPSPKKQWDT-SNVBAGLBSA-N 1 1 306.391 3.101 20 5 DGBDMO COc1c(O)ccc(C[N@H+](C)Cc2ccccc2C)c1[N+](=O)[O-] ZINC000891472743 617809037 /nfs/dbraw/zinc/80/90/37/617809037.db2.gz UVYWFOZPIOQWOH-UHFFFAOYSA-N 1 1 316.357 3.249 20 5 DGBDMO COc1c(O)ccc(C[N@@H+](C)Cc2ccccc2C)c1[N+](=O)[O-] ZINC000891472743 617809040 /nfs/dbraw/zinc/80/90/40/617809040.db2.gz UVYWFOZPIOQWOH-UHFFFAOYSA-N 1 1 316.357 3.249 20 5 DGBDMO O=[N+]([O-])c1cnn(C[N@@H+]2CCC[C@@H]2Cc2ccccc2Cl)c1 ZINC000919954911 620774132 /nfs/dbraw/zinc/77/41/32/620774132.db2.gz TVKLXDMLVZLOIO-CYBMUJFWSA-N 1 1 320.780 3.109 20 5 DGBDMO O=[N+]([O-])c1cnn(C[N@H+]2CCC[C@@H]2Cc2ccccc2Cl)c1 ZINC000919954911 620774136 /nfs/dbraw/zinc/77/41/36/620774136.db2.gz TVKLXDMLVZLOIO-CYBMUJFWSA-N 1 1 320.780 3.109 20 5 DGBDMO CC[N@H+]1CCC[C@@H](CNCc2ccc(Cl)cc2[N+](=O)[O-])C1 ZINC000892743944 618299681 /nfs/dbraw/zinc/29/96/81/618299681.db2.gz WZFMYVMNYGRADX-LBPRGKRZSA-N 1 1 311.813 3.070 20 5 DGBDMO C[N@@H+](CCc1cccc([N+](=O)[O-])c1)Cc1cnn(C2CCC2)c1 ZINC000894271031 618747739 /nfs/dbraw/zinc/74/77/39/618747739.db2.gz CTRLKAOWYLMCMS-UHFFFAOYSA-N 1 1 314.389 3.191 20 5 DGBDMO Cc1cc(F)ncc1C[N@@H+](C)CCc1cccc([N+](=O)[O-])c1 ZINC000894273527 618748502 /nfs/dbraw/zinc/74/85/02/618748502.db2.gz SDOPHZPUAIJQJB-UHFFFAOYSA-N 1 1 303.337 3.112 20 5 DGBDMO C/C(=C\c1cccc([N+](=O)[O-])c1)C[N@H+]1C[C@@H]2CSC[C@@H]2C1 ZINC000895779920 618831820 /nfs/dbraw/zinc/83/18/20/618831820.db2.gz VMLUQOHVDRWCEM-YEKRNXETSA-N 1 1 304.415 3.293 20 5 DGBDMO C[N@H+](CCCF)Cc1cc(Br)c([N+](=O)[O-])s1 ZINC000895896148 618848124 /nfs/dbraw/zinc/84/81/24/618848124.db2.gz OUGRNWUFVGDJDD-UHFFFAOYSA-N 1 1 311.176 3.210 20 5 DGBDMO C[N@@H+](CCCF)Cc1cc(Br)c([N+](=O)[O-])s1 ZINC000895896148 618848127 /nfs/dbraw/zinc/84/81/27/618848127.db2.gz OUGRNWUFVGDJDD-UHFFFAOYSA-N 1 1 311.176 3.210 20 5 DGBDMO C[C@H]1CC[N@@H+](Cc2ccc(-c3ccccc3[N+](=O)[O-])o2)CCO1 ZINC000896584676 618930591 /nfs/dbraw/zinc/93/05/91/618930591.db2.gz QSFCXNMKMVNUDX-ZDUSSCGKSA-N 1 1 316.357 3.466 20 5 DGBDMO C[C@@H]1C[C@H](CN(C)Cc2cc([N+](=O)[O-])ccc2Cl)CC[NH2+]1 ZINC000841004789 619148717 /nfs/dbraw/zinc/14/87/17/619148717.db2.gz XCUPITPEQFECIZ-VXGBXAGGSA-N 1 1 311.813 3.068 20 5 DGBDMO CCC[N@@H+](CC)C[C@H](C)NC(=O)c1c(C)c(C)ccc1[N+](=O)[O-] ZINC000897805031 619184118 /nfs/dbraw/zinc/18/41/18/619184118.db2.gz DGGJIRUJSJSQHP-ZDUSSCGKSA-N 1 1 321.421 3.062 20 5 DGBDMO CCc1nc(C)c(C[NH2+][C@@H](C)c2cc(OC)cc([N+](=O)[O-])c2)o1 ZINC000903175442 619730316 /nfs/dbraw/zinc/73/03/16/619730316.db2.gz SBXINQQTIZYWOI-JTQLQIEISA-N 1 1 319.361 3.313 20 5 DGBDMO C[C@H]([NH2+]Cc1ccc(CCO)cc1)c1c(F)cccc1[N+](=O)[O-] ZINC000903402872 619773935 /nfs/dbraw/zinc/77/39/35/619773935.db2.gz HGOMVRRUSZAINY-LBPRGKRZSA-N 1 1 318.348 3.120 20 5 DGBDMO CN(Cc1cc([N+](=O)[O-])ccc1Cl)CC1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000903878598 619827791 /nfs/dbraw/zinc/82/77/91/619827791.db2.gz JFLOCDQSUFKOTM-QXMXGUDHSA-N 1 1 323.824 3.211 20 5 DGBDMO CC[C@H]([NH2+]Cc1cn(C)nc1Cl)c1cccc([N+](=O)[O-])c1 ZINC000856772171 621018874 /nfs/dbraw/zinc/01/88/74/621018874.db2.gz SUECAVGXBNLBBL-ZDUSSCGKSA-N 1 1 308.769 3.223 20 5 DGBDMO O=[N+]([O-])c1ccc(C[NH2+][C@@H](c2ccccn2)C2CC2)c(F)c1 ZINC000922586171 621061843 /nfs/dbraw/zinc/06/18/43/621061843.db2.gz WVWAOYPIINJGSN-MRXNPFEDSA-N 1 1 301.321 3.370 20 5 DGBDMO C[C@@H]1Cc2cc(C[NH2+]Cc3ccc([N+](=O)[O-])cc3F)ccc2O1 ZINC000922701088 621085100 /nfs/dbraw/zinc/08/51/00/621085100.db2.gz BCSQJKFUBBWPOA-LLVKDONJSA-N 1 1 316.332 3.347 20 5 DGBDMO CC(C)c1ccc(C[NH2+]Cc2cncc(O)c2)cc1[N+](=O)[O-] ZINC000922976852 621142383 /nfs/dbraw/zinc/14/23/83/621142383.db2.gz JKICPKJOJXEWRL-UHFFFAOYSA-N 1 1 301.346 3.109 20 5 DGBDMO C[C@@H]1CCC[N@@H+](Cn2cc(-c3ccc([N+](=O)[O-])cc3)cn2)C1 ZINC000103457462 621377966 /nfs/dbraw/zinc/37/79/66/621377966.db2.gz JAJNUHHOFMAOCA-CYBMUJFWSA-N 1 1 300.362 3.148 20 5 DGBDMO CC(C)[N@@H+](CC(=O)Nc1cc(Cl)ccc1[N+](=O)[O-])C1CC1 ZINC000839464941 621378708 /nfs/dbraw/zinc/37/87/08/621378708.db2.gz MABZUIAQXANOLT-UHFFFAOYSA-N 1 1 311.769 3.060 20 5 DGBDMO CCCCCC[N@@H+](C)CC(=O)Nc1cc([N+](=O)[O-])ccc1C ZINC000118303176 621518471 /nfs/dbraw/zinc/51/84/71/621518471.db2.gz PYWYBOWMEFANNL-UHFFFAOYSA-N 1 1 307.394 3.354 20 5 DGBDMO C[C@@H]1C[NH+](Cn2ncc3ccc([N+](=O)[O-])cc32)C[C@@H](C)C1(F)F ZINC000863274061 621658834 /nfs/dbraw/zinc/65/88/34/621658834.db2.gz HKZIJMGTLIQOAF-GHMZBOCLSA-N 1 1 324.331 3.125 20 5 DGBDMO COc1ccc(C[NH2+]Cc2ccc(C)c([N+](=O)[O-])c2)c(F)c1 ZINC000758488223 621784690 /nfs/dbraw/zinc/78/46/90/621784690.db2.gz LZXKCZQYZLJHJY-UHFFFAOYSA-N 1 1 304.321 3.341 20 5 DGBDMO O=[N+]([O-])c1ccc(Cl)c(C[NH2+]Cc2ccc(O)c(F)c2)c1 ZINC000120486543 621896246 /nfs/dbraw/zinc/89/62/46/621896246.db2.gz HZRRDCHYVBZZLM-UHFFFAOYSA-N 1 1 310.712 3.383 20 5 DGBDMO CC(C)CC1CC[NH+](CC(=O)Nc2ccccc2[N+](=O)[O-])CC1 ZINC000760926222 621974572 /nfs/dbraw/zinc/97/45/72/621974572.db2.gz OLRQQQJBTYLCRN-UHFFFAOYSA-N 1 1 319.405 3.291 20 5 DGBDMO O=[N+]([O-])c1ccccc1CC[NH2+][C@H]1c2ccccc2OC[C@H]1F ZINC000866274756 622083107 /nfs/dbraw/zinc/08/31/07/622083107.db2.gz SNRZUCMGAZRHCK-PBHICJAKSA-N 1 1 316.332 3.199 20 5 DGBDMO Cc1[nH+]ccn1CCCOC(=O)c1cc(Cl)ccc1[N+](=O)[O-] ZINC000763113564 622124623 /nfs/dbraw/zinc/12/46/23/622124623.db2.gz CRCGFYIDTDVGHR-UHFFFAOYSA-N 1 1 323.736 3.000 20 5 DGBDMO Cc1nn(C[N@H+](CC2CC2)C(C)C)c2ccc([N+](=O)[O-])cc12 ZINC000764887703 622229828 /nfs/dbraw/zinc/22/98/28/622229828.db2.gz YVVQBQQTSMUFRN-UHFFFAOYSA-N 1 1 302.378 3.331 20 5 DGBDMO Cc1nn(C[N@H+]2CCC[C@H]2C2CC2)c2ccc([N+](=O)[O-])cc12 ZINC000764970971 622236631 /nfs/dbraw/zinc/23/66/31/622236631.db2.gz LCYYDOKVJYXZSE-HNNXBMFYSA-N 1 1 300.362 3.085 20 5 DGBDMO Cc1nn(C[N@H+](C)[C@H](C)C2(C)CC2)c2ccc([N+](=O)[O-])cc12 ZINC000765069443 622243760 /nfs/dbraw/zinc/24/37/60/622243760.db2.gz YFTSGIHMXQECDX-GFCCVEGCSA-N 1 1 302.378 3.331 20 5 DGBDMO O=[N+]([O-])c1ccc(Cl)cc1CNC[C@H]1CCCC[N@@H+]1C1CC1 ZINC000766223922 622313424 /nfs/dbraw/zinc/31/34/24/622313424.db2.gz JXALIGYBQRPHKM-OAHLLOKOSA-N 1 1 323.824 3.355 20 5 DGBDMO O=[N+]([O-])c1ccc(Cl)cc1CNC[C@H]1CCCC[N@H+]1C1CC1 ZINC000766223922 622313427 /nfs/dbraw/zinc/31/34/27/622313427.db2.gz JXALIGYBQRPHKM-OAHLLOKOSA-N 1 1 323.824 3.355 20 5 DGBDMO CCCC[N@@H+](C)CC1CCN(c2ccnc(F)c2[N+](=O)[O-])CC1 ZINC000881828987 625571366 /nfs/dbraw/zinc/57/13/66/625571366.db2.gz QDBFPELCOUGKPP-UHFFFAOYSA-N 1 1 324.400 3.077 20 5 DGBDMO C[C@H](N[C@H]1CC[N@H+]2CCCC[C@@H]12)c1c(F)cccc1[N+](=O)[O-] ZINC000872023862 622757227 /nfs/dbraw/zinc/75/72/27/622757227.db2.gz WIPFZAFYTSIFGF-UBHSHLNASA-N 1 1 307.369 3.011 20 5 DGBDMO C[C@H](N[C@H]1CC[N@H+]2CCC[C@@H]2C1)c1c(F)cccc1[N+](=O)[O-] ZINC000872025219 622758881 /nfs/dbraw/zinc/75/88/81/622758881.db2.gz IKUVZCXBDHZCGR-RWMBFGLXSA-N 1 1 307.369 3.011 20 5 DGBDMO CC[N@H+]1CC[C@H](CN[C@@H](C)c2cc([N+](=O)[O-])ccc2SC)C1 ZINC000872026167 622760002 /nfs/dbraw/zinc/76/00/02/622760002.db2.gz YKABPRKGIINMRS-QWHCGFSZSA-N 1 1 323.462 3.309 20 5 DGBDMO C[C@@H]([NH2+]Cc1cccc(CO)c1)c1c(F)cccc1[N+](=O)[O-] ZINC000872034150 622764663 /nfs/dbraw/zinc/76/46/63/622764663.db2.gz LVILGALCWAKNJZ-LLVKDONJSA-N 1 1 304.321 3.077 20 5 DGBDMO CSc1ccc([N+](=O)[O-])cc1[C@@H](C)[NH2+]Cc1cc(C)n[nH]1 ZINC000872039603 622768665 /nfs/dbraw/zinc/76/86/65/622768665.db2.gz UFOZTVNGSZPDNR-SNVBAGLBSA-N 1 1 306.391 3.199 20 5 DGBDMO C[C@H](N[C@H]1C[C@H](C)[N@H+](C2CC2)C1)c1c(F)cccc1[N+](=O)[O-] ZINC000872042052 622770609 /nfs/dbraw/zinc/77/06/09/622770609.db2.gz MIJZDQNBAOUOLA-SRVKXCTJSA-N 1 1 307.369 3.010 20 5 DGBDMO C[C@H]([NH2+][C@H]1C[C@H](C)N(C2CC2)C1)c1c(F)cccc1[N+](=O)[O-] ZINC000872042052 622770616 /nfs/dbraw/zinc/77/06/16/622770616.db2.gz MIJZDQNBAOUOLA-SRVKXCTJSA-N 1 1 307.369 3.010 20 5 DGBDMO CSc1ccc([N+](=O)[O-])cc1[C@@H](C)[NH2+]Cc1cc(C)ncn1 ZINC000872051384 622776268 /nfs/dbraw/zinc/77/62/68/622776268.db2.gz KFTDPRAFTFXQDA-LLVKDONJSA-N 1 1 318.402 3.266 20 5 DGBDMO CSc1ccc([N+](=O)[O-])cc1[C@H](C)[NH2+]Cc1cc(C)nn1C ZINC000872071010 622788445 /nfs/dbraw/zinc/78/84/45/622788445.db2.gz YPCSHGDULFDKOQ-NSHDSACASA-N 1 1 320.418 3.209 20 5 DGBDMO C[C@@H]([NH2+]Cc1ccc(CO)cc1)c1c(F)cccc1[N+](=O)[O-] ZINC000872082105 622794557 /nfs/dbraw/zinc/79/45/57/622794557.db2.gz PNGZMQUUFFJSHS-LLVKDONJSA-N 1 1 304.321 3.077 20 5 DGBDMO C[C@H](N[C@@H]1CCC[N@H+]2CCCC[C@H]12)c1c(F)cccc1[N+](=O)[O-] ZINC000872085626 622797230 /nfs/dbraw/zinc/79/72/30/622797230.db2.gz QCUKDLURFHHHPR-NWANDNLSSA-N 1 1 321.396 3.401 20 5 DGBDMO C[C@H]([NH2+][C@@H]1CCCN2CCCC[C@H]12)c1c(F)cccc1[N+](=O)[O-] ZINC000872085626 622797233 /nfs/dbraw/zinc/79/72/33/622797233.db2.gz QCUKDLURFHHHPR-NWANDNLSSA-N 1 1 321.396 3.401 20 5 DGBDMO Cc1nccnc1[C@@H](C)[NH2+][C@H](C)c1cccc([N+](=O)[O-])c1C ZINC000872134599 622827618 /nfs/dbraw/zinc/82/76/18/622827618.db2.gz SIQXJFSFFWDLKT-DGCLKSJQSA-N 1 1 300.362 3.413 20 5 DGBDMO C[C@@H](c1cccc([N+](=O)[O-])c1)[N@@H+]1CCN(C)c2ncccc2C1 ZINC000872317504 622889491 /nfs/dbraw/zinc/88/94/91/622889491.db2.gz UPZQTNCDANOBSB-ZDUSSCGKSA-N 1 1 312.373 3.003 20 5 DGBDMO C[C@@H](c1cccc([N+](=O)[O-])c1)[N@H+]1CCN(C)c2ncccc2C1 ZINC000872317504 622889496 /nfs/dbraw/zinc/88/94/96/622889496.db2.gz UPZQTNCDANOBSB-ZDUSSCGKSA-N 1 1 312.373 3.003 20 5 DGBDMO CCc1noc(CC)c1C[NH2+]Cc1cccc([N+](=O)[O-])c1C ZINC000873075462 623031294 /nfs/dbraw/zinc/03/12/94/623031294.db2.gz YGFXTJFAEROFPT-UHFFFAOYSA-N 1 1 303.362 3.306 20 5 DGBDMO CCCc1ncc(C[NH2+]Cc2c(C)ccc([N+](=O)[O-])c2C)o1 ZINC000873129218 623043143 /nfs/dbraw/zinc/04/31/43/623043143.db2.gz HYHQMVJHBGDCBN-UHFFFAOYSA-N 1 1 303.362 3.442 20 5 DGBDMO COc1cccc(C[NH2+][C@H](C)c2ccccc2[N+](=O)[O-])c1OC ZINC000873184583 623064866 /nfs/dbraw/zinc/06/48/66/623064866.db2.gz SQSSASXRIFQUCJ-GFCCVEGCSA-N 1 1 316.357 3.463 20 5 DGBDMO O=[N+]([O-])c1ccc([C@H](O)C[N@H+]2CCCc3ccccc3C2)cc1 ZINC000776583239 623443453 /nfs/dbraw/zinc/44/34/53/623443453.db2.gz ZFRINFHSBFSNNS-GOSISDBHSA-N 1 1 312.369 3.077 20 5 DGBDMO C[C@H](C[N@@H+](C)C[C@H](O)c1ccc([N+](=O)[O-])cc1)c1ccccc1 ZINC000776581885 623443493 /nfs/dbraw/zinc/44/34/93/623443493.db2.gz OINDBKKVYOWWMA-KDOFPFPSSA-N 1 1 314.385 3.364 20 5 DGBDMO C[C@H](c1ccco1)[N@@H+](C[C@@H](O)c1ccc([N+](=O)[O-])cc1)C1CC1 ZINC000776590085 623444336 /nfs/dbraw/zinc/44/43/36/623444336.db2.gz BYXTZSXXANYEPB-MLGOLLRUSA-N 1 1 316.357 3.447 20 5 DGBDMO C[C@H]1Cc2ccccc2C[N@H+]1C[C@@H](O)c1ccc([N+](=O)[O-])cc1 ZINC000776590344 623445416 /nfs/dbraw/zinc/44/54/16/623445416.db2.gz ZVCQAIZGGADQNO-SCLBCKFNSA-N 1 1 312.369 3.075 20 5 DGBDMO O=[N+]([O-])c1cccc(-c2cnn(C[N@H+]3CCC[C@H]3C3CC3)c2)c1 ZINC000777956225 623589696 /nfs/dbraw/zinc/58/96/96/623589696.db2.gz GHKZYHNBBHRTPK-KRWDZBQOSA-N 1 1 312.373 3.290 20 5 DGBDMO CC[C@@H]1CCC[N@H+]1Cn1cc(-c2cccc([N+](=O)[O-])c2)cn1 ZINC000777956482 623590277 /nfs/dbraw/zinc/59/02/77/623590277.db2.gz MALDUKPDLVCXQA-OAHLLOKOSA-N 1 1 300.362 3.290 20 5 DGBDMO Cc1ccc([N+](=O)[O-])c(C)c1C[N@H+]1CC[C@@H]([C@H]2CCOC2)C1 ZINC000876779648 623703606 /nfs/dbraw/zinc/70/36/06/623703606.db2.gz AWPIIHPIFDLBLG-CABCVRRESA-N 1 1 304.390 3.070 20 5 DGBDMO C[C@@H]1C[C@H](C[N@@H+](C)Cc2cc([N+](=O)[O-])ccc2Cl)CCO1 ZINC000778994777 623717619 /nfs/dbraw/zinc/71/76/19/623717619.db2.gz KTYOUQUNNOXBDT-VXGBXAGGSA-N 1 1 312.797 3.495 20 5 DGBDMO Cc1nn(C[N@@H+]2CCC[C@H](Cc3ccccc3)C2)cc1[N+](=O)[O-] ZINC000779860807 623823483 /nfs/dbraw/zinc/82/34/83/623823483.db2.gz JBNRNARTTPJFMU-MRXNPFEDSA-N 1 1 314.389 3.012 20 5 DGBDMO Cc1nn(C[N@H+]2CCC[C@H](Cc3ccccc3)C2)cc1[N+](=O)[O-] ZINC000779860807 623823487 /nfs/dbraw/zinc/82/34/87/623823487.db2.gz JBNRNARTTPJFMU-MRXNPFEDSA-N 1 1 314.389 3.012 20 5 DGBDMO Cc1ccc([N+](=O)[O-])c(C)c1C[N@H+]1CC[C@@H](O)CC(C)(C)C1 ZINC000877573463 623948754 /nfs/dbraw/zinc/94/87/54/623948754.db2.gz RKWLYWRVUQCKHD-CQSZACIVSA-N 1 1 306.406 3.195 20 5 DGBDMO C[N@H+]1CCN(C/C=C/c2ccccc2[N+](=O)[O-])CCC1(C)C ZINC000877701122 623996748 /nfs/dbraw/zinc/99/67/48/623996748.db2.gz KVGBGWJPCBRRQJ-SOFGYWHQSA-N 1 1 303.406 3.024 20 5 DGBDMO O=[N+]([O-])c1ccc(Cl)c(C[N@H+]2CC[C@@H]3CSC[C@@H]3C2)c1 ZINC000877739599 624012824 /nfs/dbraw/zinc/01/28/24/624012824.db2.gz ORAKWRIHMJTAIC-PWSUYJOCSA-N 1 1 312.822 3.433 20 5 DGBDMO O=[N+]([O-])c1ccccc1/C=C/C[N@H+]1CC[C@@H]2CSC[C@@H]2C1 ZINC000877741476 624014066 /nfs/dbraw/zinc/01/40/66/624014066.db2.gz VWSKWCAIFAWCQF-SZWGIHMLSA-N 1 1 304.415 3.293 20 5 DGBDMO COC(=O)CC[C@H]1CCC[N@@H+](Cc2ccc(C)c([N+](=O)[O-])c2)C1 ZINC000877823423 624054616 /nfs/dbraw/zinc/05/46/16/624054616.db2.gz ZCYGIROMIHUEMP-CQSZACIVSA-N 1 1 320.389 3.068 20 5 DGBDMO CC(C)c1ccc(C[N@H+]2CC[C@H](C(C)(C)O)C2)cc1[N+](=O)[O-] ZINC000877835070 624063677 /nfs/dbraw/zinc/06/36/77/624063677.db2.gz GCQCTANMBTVOMW-AWEZNQCLSA-N 1 1 306.406 3.311 20 5 DGBDMO O=[N+]([O-])c1ccccc1-c1nnc(C[N@H+]2CCC[C@H]2C2CC2)o1 ZINC000878050575 624149809 /nfs/dbraw/zinc/14/98/09/624149809.db2.gz YALKQIWBBBXXKZ-ZDUSSCGKSA-N 1 1 314.345 3.019 20 5 DGBDMO C[C@@H]1[C@@H](C)CCC[N@H+]1Cc1nnc(-c2ccccc2[N+](=O)[O-])o1 ZINC000878128583 624180937 /nfs/dbraw/zinc/18/09/37/624180937.db2.gz ANNXMTAESKLHBL-NWDGAFQWSA-N 1 1 316.361 3.265 20 5 DGBDMO O=[N+]([O-])c1ccc(Cl)cc1C[NH2+][C@H](CO)c1ccc(F)cc1 ZINC000782064773 624198078 /nfs/dbraw/zinc/19/80/78/624198078.db2.gz WNYBEUHAMYGFGB-CQSZACIVSA-N 1 1 324.739 3.211 20 5 DGBDMO C[C@@H]1CC[N@@H+](Cc2nnc(-c3ccccc3[N+](=O)[O-])o2)C[C@H]1C ZINC000878332386 624247156 /nfs/dbraw/zinc/24/71/56/624247156.db2.gz NYBBQKQTRCANIP-VXGBXAGGSA-N 1 1 316.361 3.123 20 5 DGBDMO CCC[C@@H](C)[N@@H+](C)CCC(=O)Nc1cc([N+](=O)[O-])ccc1F ZINC000782477227 624255810 /nfs/dbraw/zinc/25/58/10/624255810.db2.gz KFRQYXVJVVHOMF-LLVKDONJSA-N 1 1 311.357 3.183 20 5 DGBDMO Cc1ccc([C@H](C)[NH2+]Cc2nccn2CC(F)F)cc1[N+](=O)[O-] ZINC000878370799 624259910 /nfs/dbraw/zinc/25/99/10/624259910.db2.gz BOSOZLVZQSNKLE-NSHDSACASA-N 1 1 324.331 3.216 20 5 DGBDMO CN(C)C1(C[NH2+]Cc2ccc([N+](=O)[O-])c(Cl)c2)CCCC1 ZINC000783592983 624372725 /nfs/dbraw/zinc/37/27/25/624372725.db2.gz QFMWKKIYCFKJAI-UHFFFAOYSA-N 1 1 311.813 3.212 20 5 DGBDMO O=[N+]([O-])c1ccc(C[NH2+][C@H](CO)c2cccc(F)c2)cc1Cl ZINC000783625772 624376880 /nfs/dbraw/zinc/37/68/80/624376880.db2.gz ZYZMFMHUSPYDEX-CQSZACIVSA-N 1 1 324.739 3.211 20 5 DGBDMO C[C@@H](C(=O)OCc1ccc([N+](=O)[O-])c(F)c1)[N@@H+]1[C@H](C)CC[C@@H]1C ZINC000783778799 624395469 /nfs/dbraw/zinc/39/54/69/624395469.db2.gz SCENKCQWTINOSB-TUAOUCFPSA-N 1 1 324.352 3.038 20 5 DGBDMO O=[N+]([O-])c1cccc(C[N@@H+]2CCC[C@@H]2[C@H](O)c2ccccc2)c1 ZINC000879242290 624458697 /nfs/dbraw/zinc/45/86/97/624458697.db2.gz YOOSHQRYPANVDM-QZTJIDSGSA-N 1 1 312.369 3.293 20 5 DGBDMO O=[N+]([O-])c1cc(F)c(C[N@@H+]2CC[C@H]3CSC[C@H]3C2)c(F)c1 ZINC000879566364 624592932 /nfs/dbraw/zinc/59/29/32/624592932.db2.gz UOAHAKFZBVWFBK-VHSXEESVSA-N 1 1 314.357 3.058 20 5 DGBDMO O=[N+]([O-])c1cc(F)c(C[N@H+]2CC[C@H]3CSC[C@H]3C2)c(F)c1 ZINC000879566364 624592936 /nfs/dbraw/zinc/59/29/36/624592936.db2.gz UOAHAKFZBVWFBK-VHSXEESVSA-N 1 1 314.357 3.058 20 5 DGBDMO C/C(=C/c1cccc([N+](=O)[O-])c1)CNCC[N@H+]1CCC[C@@H]1C ZINC000786818466 624956284 /nfs/dbraw/zinc/95/62/84/624956284.db2.gz YSFUMAXFDSFREA-SZGZABIGSA-N 1 1 303.406 3.072 20 5 DGBDMO C/C(=C/c1cccc([N+](=O)[O-])c1)CNCC[N@@H+]1CCC[C@@H]1C ZINC000786818466 624956290 /nfs/dbraw/zinc/95/62/90/624956290.db2.gz YSFUMAXFDSFREA-SZGZABIGSA-N 1 1 303.406 3.072 20 5 DGBDMO C[N@@H+](Cc1cc([N+](=O)[O-])ccc1Cl)C[C@H](O)C(C)(C)C ZINC000787728179 625041408 /nfs/dbraw/zinc/04/14/08/625041408.db2.gz CNXKFJSLFHRBQK-ZDUSSCGKSA-N 1 1 300.786 3.087 20 5 DGBDMO C[N@H+](Cc1cc([N+](=O)[O-])ccc1Cl)C[C@H](O)C(C)(C)C ZINC000787728179 625041416 /nfs/dbraw/zinc/04/14/16/625041416.db2.gz CNXKFJSLFHRBQK-ZDUSSCGKSA-N 1 1 300.786 3.087 20 5 DGBDMO C[C@H](CN[C@@H](C)c1ccc(N)c([N+](=O)[O-])c1)[N@@H+]1CCCC[C@H]1C ZINC000788527742 625206728 /nfs/dbraw/zinc/20/67/28/625206728.db2.gz OZHUWYYUJBXQPR-MCIONIFRSA-N 1 1 320.437 3.091 20 5 DGBDMO C[C@H](CN[C@@H](C)c1ccc(N)c([N+](=O)[O-])c1)[N@H+]1CCCC[C@H]1C ZINC000788527742 625206733 /nfs/dbraw/zinc/20/67/33/625206733.db2.gz OZHUWYYUJBXQPR-MCIONIFRSA-N 1 1 320.437 3.091 20 5 DGBDMO C[C@H]([NH2+]Cc1ccc(F)cc1F)c1ccc(N)c([N+](=O)[O-])c1 ZINC000788574983 625218786 /nfs/dbraw/zinc/21/87/86/625218786.db2.gz VUIDHWDGMCWAQO-VIFPVBQESA-N 1 1 307.300 3.306 20 5 DGBDMO C[C@H](N[C@@H](CC[NH+](C)C)C(C)(C)C)c1ccc(N)c([N+](=O)[O-])c1 ZINC000788613559 625229863 /nfs/dbraw/zinc/22/98/63/625229863.db2.gz YEIIFHQWIWMTEN-LRDDRELGSA-N 1 1 322.453 3.194 20 5 DGBDMO C[C@H]([NH2+][C@@H](CCN(C)C)C(C)(C)C)c1ccc(N)c([N+](=O)[O-])c1 ZINC000788613559 625229868 /nfs/dbraw/zinc/22/98/68/625229868.db2.gz YEIIFHQWIWMTEN-LRDDRELGSA-N 1 1 322.453 3.194 20 5 DGBDMO O=[N+]([O-])c1ccc(Cl)c(C[NH2+][C@@H]2CCCc3n[nH]cc32)c1 ZINC000796837440 626088218 /nfs/dbraw/zinc/08/82/18/626088218.db2.gz BJDUJGOGTKUQMT-CYBMUJFWSA-N 1 1 306.753 3.139 20 5 DGBDMO O=[N+]([O-])c1ccc(Cl)c(C[NH2+][C@H]2CCCc3n[nH]cc32)c1 ZINC000796837441 626088297 /nfs/dbraw/zinc/08/82/97/626088297.db2.gz BJDUJGOGTKUQMT-ZDUSSCGKSA-N 1 1 306.753 3.139 20 5 DGBDMO COc1cc([N+](=O)[O-])ccc1C[N@@H+]1CCc2c(C)cccc2C1 ZINC000797518404 626150683 /nfs/dbraw/zinc/15/06/83/626150683.db2.gz ACXJPLZHVYOREZ-UHFFFAOYSA-N 1 1 312.369 3.470 20 5 DGBDMO COc1cc([N+](=O)[O-])ccc1C[N@H+]1CCc2c(C)cccc2C1 ZINC000797518404 626150685 /nfs/dbraw/zinc/15/06/85/626150685.db2.gz ACXJPLZHVYOREZ-UHFFFAOYSA-N 1 1 312.369 3.470 20 5 DGBDMO O=[N+]([O-])c1ccc(Cl)cc1C[NH+]1CC(C2CCOCC2)C1 ZINC000800530046 626366403 /nfs/dbraw/zinc/36/64/03/626366403.db2.gz JWDNENZXUKOSMY-UHFFFAOYSA-N 1 1 310.781 3.107 20 5 DGBDMO CCCC[N@H+]1CCCC[C@@H]1CNc1cc(N)ccc1[N+](=O)[O-] ZINC000800847716 626379257 /nfs/dbraw/zinc/37/92/57/626379257.db2.gz HYGLZGIZIPJRJM-CQSZACIVSA-N 1 1 306.410 3.244 20 5 DGBDMO CO[C@@]1(C)C[C@@H]([N@@H+](C)Cc2ccc([N+](=O)[O-])c(F)c2)C1(C)C ZINC000801519475 626407462 /nfs/dbraw/zinc/40/74/62/626407462.db2.gz OWIMEYUYAJTJGY-ZBFHGGJFSA-N 1 1 310.369 3.369 20 5 DGBDMO COCC[N@@H+](Cc1ccc([N+](=O)[O-])c(F)c1)[C@H]1CC[C@H](C)C1 ZINC000801548654 626409245 /nfs/dbraw/zinc/40/92/45/626409245.db2.gz KQEMGIRNVVDQDF-JSGCOSHPSA-N 1 1 310.369 3.371 20 5 DGBDMO CC(C)C[C@@]1(CO)CCC[N@H+]1Cc1ccc([N+](=O)[O-])c(F)c1 ZINC000801548284 626409330 /nfs/dbraw/zinc/40/93/30/626409330.db2.gz QYDRPYBMUCHIMZ-MRXNPFEDSA-N 1 1 310.369 3.107 20 5 DGBDMO C[C@H]1CCCC[N@H+]1CCCNc1c([N+](=O)[O-])cccc1[N+](=O)[O-] ZINC000804330506 626670117 /nfs/dbraw/zinc/67/01/17/626670117.db2.gz WUHNMGBIZUKGOH-LBPRGKRZSA-N 1 1 322.365 3.179 20 5 DGBDMO Cc1nn(C[N@H+](C)C2CC(C)(C)C2)c2ccc([N+](=O)[O-])cc12 ZINC000840164884 626898598 /nfs/dbraw/zinc/89/85/98/626898598.db2.gz WLKWOKUVLDPDDF-UHFFFAOYSA-N 1 1 302.378 3.331 20 5 DGBDMO C[N@H+](Cc1cc([N+](=O)[O-])ccc1Cl)C[C@@H]1C[C@]12CCOC2 ZINC000886046859 627092862 /nfs/dbraw/zinc/09/28/62/627092862.db2.gz RAEBBOHEVJPEPE-WFASDCNBSA-N 1 1 310.781 3.107 20 5 DGBDMO COc1ccccc1C(C)(C)[NH2+]Cc1cccnc1[N+](=O)[O-] ZINC000886062236 627097073 /nfs/dbraw/zinc/09/70/73/627097073.db2.gz KWVZUXXOZUMUJX-UHFFFAOYSA-N 1 1 301.346 3.023 20 5 DGBDMO Cc1cnc(C2CC[NH+](Cc3cccnc3[N+](=O)[O-])CC2)s1 ZINC000886171231 627116888 /nfs/dbraw/zinc/11/68/88/627116888.db2.gz AVWQXTGALYWMJI-UHFFFAOYSA-N 1 1 318.402 3.134 20 5 DGBDMO O=[N+]([O-])c1cc(F)c(Cl)cc1N[C@H]1CC[N@H+]2CCC[C@H]2C1 ZINC000300531169 627272859 /nfs/dbraw/zinc/27/28/59/627272859.db2.gz VPOIVBCMPLRCGS-UWVGGRQHSA-N 1 1 313.760 3.426 20 5 DGBDMO CCC[N@@H+](CC)C[C@@H](C)NC(=S)Nc1ccc([N+](=O)[O-])cc1 ZINC000811720996 627311808 /nfs/dbraw/zinc/31/18/08/627311808.db2.gz LAOSFTDTQZJZJD-GFCCVEGCSA-N 1 1 324.450 3.002 20 5 DGBDMO CC(C)[C@@H](C)C(=O)O[C@H]1CC[N@H+](Cc2cccc([N+](=O)[O-])c2)C1 ZINC000813171634 627461493 /nfs/dbraw/zinc/46/14/93/627461493.db2.gz OECLILJBGTWMBO-CJNGLKHVSA-N 1 1 320.389 3.004 20 5 DGBDMO CC(C)[C@@H](C)C(=O)O[C@H]1CC[N@@H+](Cc2cccc([N+](=O)[O-])c2)C1 ZINC000813171634 627461496 /nfs/dbraw/zinc/46/14/96/627461496.db2.gz OECLILJBGTWMBO-CJNGLKHVSA-N 1 1 320.389 3.004 20 5 DGBDMO Cc1ccc(N2CC[N@H+](C3CCC3)C[C@@H](C)C2)c([N+](=O)[O-])c1 ZINC000813630710 627504527 /nfs/dbraw/zinc/50/45/27/627504527.db2.gz OZXRVFPMALDZHS-CQSZACIVSA-N 1 1 303.406 3.214 20 5 DGBDMO Cc1c(CN[C@H]2CC[NH2+]C[C@@H]2C2CCCC2)cccc1[N+](=O)[O-] ZINC000925659014 627771710 /nfs/dbraw/zinc/77/17/10/627771710.db2.gz RUVCIUBAVPQZES-SJORKVTESA-N 1 1 317.433 3.161 20 5 DGBDMO C[C@@H](N[C@@H]1CCC[N@@H+]2CCCC[C@H]12)c1ccccc1[N+](=O)[O-] ZINC000926835713 627962334 /nfs/dbraw/zinc/96/23/34/627962334.db2.gz KHYIOSPHMZUKJH-FRFSOERESA-N 1 1 303.406 3.262 20 5 DGBDMO C[C@@H](N[C@@H]1CCC[N@H+]2CCCC[C@H]12)c1ccccc1[N+](=O)[O-] ZINC000926835713 627962339 /nfs/dbraw/zinc/96/23/39/627962339.db2.gz KHYIOSPHMZUKJH-FRFSOERESA-N 1 1 303.406 3.262 20 5 DGBDMO CC[C@H]([NH2+]Cc1cc(C2CC2)n(C)n1)c1cccc([N+](=O)[O-])c1 ZINC000927111573 628017978 /nfs/dbraw/zinc/01/79/78/628017978.db2.gz AAQKPKLWXCVWLM-INIZCTEOSA-N 1 1 314.389 3.447 20 5 DGBDMO Cc1ccc([C@H](C)[NH2+]Cc2cc(C3CC3)n(C)n2)cc1[N+](=O)[O-] ZINC000927113998 628018817 /nfs/dbraw/zinc/01/88/17/628018817.db2.gz QCWDXQYRMFKESE-LBPRGKRZSA-N 1 1 314.389 3.365 20 5 DGBDMO C[C@@H](c1cccc([N+](=O)[O-])c1)[N@@H+](C)C[C@](C)(O)c1ccccc1 ZINC000823585755 628576687 /nfs/dbraw/zinc/57/66/87/628576687.db2.gz QVKBUHFGXLQZBK-KSSFIOAISA-N 1 1 314.385 3.495 20 5 DGBDMO O=[N+]([O-])c1cc(C[N@@H+]2CCC[C@@H]2[C@H]2CCC[C@H]2O)ccc1Cl ZINC000824715168 628686123 /nfs/dbraw/zinc/68/61/23/628686123.db2.gz IQWQKUFTQOEYSX-XNRPHZJLSA-N 1 1 324.808 3.374 20 5 DGBDMO COC[C@H]1CCC[N@@H+](Cc2ccc([N+](=O)[O-])c(Cl)c2)CC1 ZINC000825322042 628749187 /nfs/dbraw/zinc/74/91/87/628749187.db2.gz VSTVEDUOOWEWTG-LBPRGKRZSA-N 1 1 312.797 3.497 20 5 DGBDMO C[C@H](O)[C@H]([NH2+]Cc1cc(Cl)ccc1[N+](=O)[O-])c1ccccc1 ZINC000827856060 628997795 /nfs/dbraw/zinc/99/77/95/628997795.db2.gz KXJBONBWRZYGJD-ZBEGNZNMSA-N 1 1 320.776 3.460 20 5 DGBDMO C[N@@H+](CCC[C@H]1CCOC1)Cc1cc([N+](=O)[O-])ccc1Cl ZINC000828021484 629015540 /nfs/dbraw/zinc/01/55/40/629015540.db2.gz RZUGLTJKZCBSEJ-LBPRGKRZSA-N 1 1 312.797 3.497 20 5 DGBDMO CC[C@@H]1C[N@@H+](CC)CCN1c1nc2ccc([N+](=O)[O-])cc2s1 ZINC000829126955 629132745 /nfs/dbraw/zinc/13/27/45/629132745.db2.gz RPWPYDCZYDQNPI-LLVKDONJSA-N 1 1 320.418 3.125 20 5 DGBDMO CO[C@@H]1C[C@@H]([N@@H+](C)Cc2ccc([N+](=O)[O-])c(F)c2)C12CCC2 ZINC000832209409 629450564 /nfs/dbraw/zinc/45/05/64/629450564.db2.gz HZXLDRCACPPYMF-HUUCEWRRSA-N 1 1 308.353 3.123 20 5 DGBDMO Cc1ccc(C[N@@H+](C)C[C@H](O)c2ccc([N+](=O)[O-])cc2)cc1C ZINC000832634188 629501078 /nfs/dbraw/zinc/50/10/78/629501078.db2.gz LCKBXJOSCUFSKM-SFHVURJKSA-N 1 1 314.385 3.377 20 5 DGBDMO O=[N+]([O-])c1ccc(Cl)cc1CN1CCC([C@H]2CC[NH2+]C2)CC1 ZINC000843126028 630616297 /nfs/dbraw/zinc/61/62/97/630616297.db2.gz DWCPHHJHRUVWKE-ZDUSSCGKSA-N 1 1 323.824 3.070 20 5 DGBDMO C[C@@H](C(=O)OC[C@@H]1CC[N@H+]1C(C)(C)C)c1cccc([N+](=O)[O-])c1 ZINC000845734517 631192582 /nfs/dbraw/zinc/19/25/82/631192582.db2.gz GBCZZEQEGWQUSY-DOMZBBRYSA-N 1 1 320.389 3.114 20 5 DGBDMO O=[N+]([O-])c1ccc(C[N@@H+]2CC[C@]3(CC3(F)F)C2)cc1Cl ZINC000846117810 631210552 /nfs/dbraw/zinc/21/05/52/631210552.db2.gz RQIBAVDXPBCRGK-LBPRGKRZSA-N 1 1 302.708 3.479 20 5 DGBDMO O=[N+]([O-])c1ccc(C[N@H+]2CC[C@]3(CC3(F)F)C2)cc1Cl ZINC000846117810 631210554 /nfs/dbraw/zinc/21/05/54/631210554.db2.gz RQIBAVDXPBCRGK-LBPRGKRZSA-N 1 1 302.708 3.479 20 5 DGBDMO CCOC(C[N@H+](CC)[C@H](C)c1ccccc1[N+](=O)[O-])OCC ZINC000846969448 631369018 /nfs/dbraw/zinc/36/90/18/631369018.db2.gz HKYIHPWFCKASLK-CYBMUJFWSA-N 1 1 310.394 3.377 20 5 DGBDMO CCOC(C[N@@H+](CC)[C@H](C)c1ccccc1[N+](=O)[O-])OCC ZINC000846969448 631369023 /nfs/dbraw/zinc/36/90/23/631369023.db2.gz HKYIHPWFCKASLK-CYBMUJFWSA-N 1 1 310.394 3.377 20 5 DGBDMO CC(=O)c1cc([N+](=O)[O-])ccc1N[C@@H]1CCC[N@H+]2CCCC[C@@H]12 ZINC000848787871 631748507 /nfs/dbraw/zinc/74/85/07/631748507.db2.gz XKRHXUOCVCYKAB-SJORKVTESA-N 1 1 317.389 3.226 20 5 DGBDMO O=[N+]([O-])c1cc(F)ccc1C[NH2+][C@@H](CCO)c1cccs1 ZINC000851925880 632522940 /nfs/dbraw/zinc/52/29/40/632522940.db2.gz DILCEPSPFFEXHI-LBPRGKRZSA-N 1 1 310.350 3.009 20 5 DGBDMO C[C@@H](CO)[C@@H]1CCCC[N@H+]1Cc1cc([N+](=O)[O-])ccc1Cl ZINC000852422618 632601763 /nfs/dbraw/zinc/60/17/63/632601763.db2.gz GJXOOBZUOLHDIX-NHYWBVRUSA-N 1 1 312.797 3.231 20 5 DGBDMO C[N@@H+](Cn1ncc2cc([N+](=O)[O-])ccc21)[C@@H]1CCC(C)(C)C1 ZINC000794686780 661099242 /nfs/dbraw/zinc/09/92/42/661099242.db2.gz QUNRZQNBAJLSNE-CQSZACIVSA-N 1 1 302.378 3.413 20 5 DGBDMO C[N@@H+](Cn1ncc2cc([N+](=O)[O-])ccc21)[C@H]1CCC(C)(C)C1 ZINC000794686779 661099361 /nfs/dbraw/zinc/09/93/61/661099361.db2.gz QUNRZQNBAJLSNE-AWEZNQCLSA-N 1 1 302.378 3.413 20 5 DGBDMO CCOc1ccc([C@H](C)[NH2+]Cc2cccnc2F)cc1[N+](=O)[O-] ZINC000794837619 661108858 /nfs/dbraw/zinc/10/88/58/661108858.db2.gz VACVSQMYZSJWJP-NSHDSACASA-N 1 1 319.336 3.378 20 5 DGBDMO O=[N+]([O-])c1ccc(Cl)c(C[N@@H+]2CCOC[C@H](C3CCC3)C2)c1 ZINC000795287560 661138764 /nfs/dbraw/zinc/13/87/64/661138764.db2.gz BPEALOMJCKFWDK-CQSZACIVSA-N 1 1 324.808 3.497 20 5 DGBDMO O=[N+]([O-])c1ccc(Cl)c(C[N@H+]2CCOC[C@H](C3CCC3)C2)c1 ZINC000795287560 661138765 /nfs/dbraw/zinc/13/87/65/661138765.db2.gz BPEALOMJCKFWDK-CQSZACIVSA-N 1 1 324.808 3.497 20 5 DGBDMO C[C@H]1CC[C@H](c2ccccc2)[N@H+](Cn2cc([N+](=O)[O-])cn2)C1 ZINC000795700171 661168618 /nfs/dbraw/zinc/16/86/18/661168618.db2.gz HOWINFYDIKNDIK-XJKSGUPXSA-N 1 1 300.362 3.222 20 5 DGBDMO C[C@H]1CC[C@H](c2ccccc2)[N@@H+](Cn2cc([N+](=O)[O-])cn2)C1 ZINC000795700171 661168621 /nfs/dbraw/zinc/16/86/21/661168621.db2.gz HOWINFYDIKNDIK-XJKSGUPXSA-N 1 1 300.362 3.222 20 5 DGBDMO O=[N+]([O-])c1cc(F)c(C[NH2+]C2([C@@H]3CCCCO3)CC2)c(F)c1 ZINC000933376906 655709773 /nfs/dbraw/zinc/70/97/73/655709773.db2.gz ZPOUXPPOMJMZQL-AWEZNQCLSA-N 1 1 312.316 3.064 20 5 DGBDMO O=[N+]([O-])c1cnn(C[N@@H+]2CCC[C@H](c3ccccc3)CC2)c1 ZINC000066796017 656071765 /nfs/dbraw/zinc/07/17/65/656071765.db2.gz SJJRZAZACOSTHJ-HNNXBMFYSA-N 1 1 300.362 3.019 20 5 DGBDMO O=[N+]([O-])c1cnn(C[N@H+]2CCC[C@H](c3ccccc3)CC2)c1 ZINC000066796017 656071767 /nfs/dbraw/zinc/07/17/67/656071767.db2.gz SJJRZAZACOSTHJ-HNNXBMFYSA-N 1 1 300.362 3.019 20 5 DGBDMO Cc1cc(C[NH2+]C(C)(C)c2ccccc2[N+](=O)[O-])c(C)nn1 ZINC000930554074 656093103 /nfs/dbraw/zinc/09/31/03/656093103.db2.gz HKJZRHRHWIZVQQ-UHFFFAOYSA-N 1 1 300.362 3.027 20 5 DGBDMO C[N@@H+](Cc1ccccc1[N+](=O)[O-])C[C@@H](O)c1ccc(F)cc1F ZINC000051322869 656139675 /nfs/dbraw/zinc/13/96/75/656139675.db2.gz YLEVLXHUJSXSMZ-MRXNPFEDSA-N 1 1 322.311 3.038 20 5 DGBDMO C[N@H+](Cc1ccccc1[N+](=O)[O-])C[C@@H](O)c1ccc(F)cc1F ZINC000051322869 656139676 /nfs/dbraw/zinc/13/96/76/656139676.db2.gz YLEVLXHUJSXSMZ-MRXNPFEDSA-N 1 1 322.311 3.038 20 5 DGBDMO Cc1cc(N2CCC[C@@H]([C@H](C)[NH3+])C2)c2cc([N+](=O)[O-])ccc2n1 ZINC000261958193 657257063 /nfs/dbraw/zinc/25/70/63/657257063.db2.gz XIYLZRDTLVRGNB-QWHCGFSZSA-N 1 1 314.389 3.015 20 5 DGBDMO Cc1cc(N2CCC[C@H]([C@@H](C)[NH3+])C2)c2cc([N+](=O)[O-])ccc2n1 ZINC000261958178 657257341 /nfs/dbraw/zinc/25/73/41/657257341.db2.gz XIYLZRDTLVRGNB-OLZOCXBDSA-N 1 1 314.389 3.015 20 5 DGBDMO CC[N@H+](Cc1ccccc1)C[C@@H](O)c1ccc([N+](=O)[O-])cc1 ZINC000062351050 659320441 /nfs/dbraw/zinc/32/04/41/659320441.db2.gz JKJCKNBTNJGLFR-QGZVFWFLSA-N 1 1 300.358 3.150 20 5 DGBDMO O=[N+]([O-])c1ccc(Cl)c(C[NH2+][C@H](CO)c2ccccc2)c1 ZINC000062999831 659359465 /nfs/dbraw/zinc/35/94/65/659359465.db2.gz GQFBDWLPOHJBKZ-OAHLLOKOSA-N 1 1 306.749 3.071 20 5 DGBDMO CC[N@@H+](C)C[C@@H]1CCN(Cc2cc([N+](=O)[O-])ccc2Cl)C1 ZINC000173891697 659403793 /nfs/dbraw/zinc/40/37/93/659403793.db2.gz PKRJUNMKPPJFFE-LBPRGKRZSA-N 1 1 311.813 3.022 20 5 DGBDMO C[C@@H](c1ccccc1[N+](=O)[O-])[N@H+]1CCC[C@@H](c2nccn2C)C1 ZINC000444797140 659887141 /nfs/dbraw/zinc/88/71/41/659887141.db2.gz CMBNYWOHBYEQGY-UONOGXRCSA-N 1 1 314.389 3.269 20 5 DGBDMO CC[C@@H](C)C[N@@H+](CC)Cn1cnc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000174947009 659913989 /nfs/dbraw/zinc/91/39/89/659913989.db2.gz YZRMRYHSUVTCSK-CYBMUJFWSA-N 1 1 317.393 3.179 20 5 DGBDMO C[N@H+](CCc1ccns1)Cc1cc([N+](=O)[O-])ccc1Cl ZINC000929863062 661346015 /nfs/dbraw/zinc/34/60/15/661346015.db2.gz GIHBTDRXRJWTQP-UHFFFAOYSA-N 1 1 311.794 3.379 20 5 DGBDMO C[N@@H+](CCc1ccns1)Cc1cc([N+](=O)[O-])ccc1Cl ZINC000929863062 661346018 /nfs/dbraw/zinc/34/60/18/661346018.db2.gz GIHBTDRXRJWTQP-UHFFFAOYSA-N 1 1 311.794 3.379 20 5 DGBDMO CC(C)n1c2ccccc2nc1[C@H]1CCC[N@H+](CC[N+](=O)[O-])C1 ZINC000929978926 661355270 /nfs/dbraw/zinc/35/52/70/661355270.db2.gz UNNBCEPBFVTJAH-AWEZNQCLSA-N 1 1 316.405 3.073 20 5 DGBDMO CC(C)n1c2ccccc2nc1[C@H]1CCC[N@@H+](CC[N+](=O)[O-])C1 ZINC000929978926 661355272 /nfs/dbraw/zinc/35/52/72/661355272.db2.gz UNNBCEPBFVTJAH-AWEZNQCLSA-N 1 1 316.405 3.073 20 5 DGBDMO O=[N+]([O-])c1ccc(C[NH+]2CCC(c3ncco3)CC2)cc1F ZINC000931445679 661477091 /nfs/dbraw/zinc/47/70/91/661477091.db2.gz BFUZEZREXWHZDQ-UHFFFAOYSA-N 1 1 305.309 3.102 20 5 DGBDMO C[C@@H](c1ccccc1)[C@H]1CCC[N@H+]1CCn1ccc([N+](=O)[O-])n1 ZINC000932277845 661556046 /nfs/dbraw/zinc/55/60/46/661556046.db2.gz LEPSFQHXNYFHMK-GOEBONIOSA-N 1 1 314.389 3.059 20 5 DGBDMO O=[N+]([O-])c1cc(F)ccc1C[NH2+][C@@H](c1ccccn1)C1CC1 ZINC000932386484 661565263 /nfs/dbraw/zinc/56/52/63/661565263.db2.gz PUPMSSKXILDJPA-MRXNPFEDSA-N 1 1 301.321 3.370 20 5 DGBDMO O=[N+]([O-])c1ccc(Cl)c(C[NH+]2CCC(O)(C3CCC3)CC2)c1 ZINC000932821102 661599349 /nfs/dbraw/zinc/59/93/49/661599349.db2.gz BTNSIEBSTIEGPI-UHFFFAOYSA-N 1 1 324.808 3.375 20 5 DGBDMO Cc1ccc(C[N@H+]2CC[C@H](Cc3nccs3)C2)cc1[N+](=O)[O-] ZINC000934330737 661698189 /nfs/dbraw/zinc/69/81/89/661698189.db2.gz IUKFKLCUTJEXQN-CQSZACIVSA-N 1 1 317.414 3.424 20 5 DGBDMO CC(C)[N@H+]1CC[C@H](CNCc2cc([N+](=O)[O-])ccc2Cl)C1 ZINC000040622609 661832020 /nfs/dbraw/zinc/83/20/20/661832020.db2.gz OFDMXMRZIGISDC-GFCCVEGCSA-N 1 1 311.813 3.068 20 5 DGBDMO CC[C@@H]1C[N@@H+](Cn2nccc2[N+](=O)[O-])CC[C@H]1c1ccccc1 ZINC000245441402 662233356 /nfs/dbraw/zinc/23/33/56/662233356.db2.gz VJVCTLDKRUYDQR-GDBMZVCRSA-N 1 1 314.389 3.265 20 5 DGBDMO CC(C)C[C@H]1CCC[N@@H+](C[C@@H](O)c2cccc([N+](=O)[O-])c2)C1 ZINC000246316429 662253601 /nfs/dbraw/zinc/25/36/01/662253601.db2.gz RIBKHASDUDZQGX-RHSMWYFYSA-N 1 1 306.406 3.386 20 5 DGBDMO Cc1cc(C)cc(NC(=O)[C@](C)([NH3+])c2cccc([N+](=O)[O-])c2)c1 ZINC001579581268 1191980902 /nfs/dbraw/zinc/98/09/02/1191980902.db2.gz NEERXUWVRKZLJR-QGZVFWFLSA-N 1 1 313.357 3.024 20 5 DGBDMO CC[C@@H](OC(=O)[C@@H]1CCC[N@@H+]1C(C)C)c1cccc([N+](=O)[O-])c1 ZINC001584251417 1192186049 /nfs/dbraw/zinc/18/60/49/1192186049.db2.gz ZTSSXJICNRFIIB-JKSUJKDBSA-N 1 1 320.389 3.462 20 5 DGBDMO CC[C@@H](OC(=O)[C@@H]1CCC[N@H+]1C(C)C)c1cccc([N+](=O)[O-])c1 ZINC001584251417 1192186051 /nfs/dbraw/zinc/18/60/51/1192186051.db2.gz ZTSSXJICNRFIIB-JKSUJKDBSA-N 1 1 320.389 3.462 20 5 DGBDMO CCC(=O)c1ccc(N[C@H]2C[N@H+](C3CC3)C[C@H]2C)c([N+](=O)[O-])c1 ZINC000480064333 1178061227 /nfs/dbraw/zinc/06/12/27/1178061227.db2.gz STOQBAGMULCFRU-ABAIWWIYSA-N 1 1 317.389 3.082 20 5 DGBDMO Cc1ccc([C@H](C)N[C@H]2CCCC[C@H]2[NH+](C)C)cc1[N+](=O)[O-] ZINC001333478268 1178611843 /nfs/dbraw/zinc/61/18/43/1178611843.db2.gz LCPAARJNDXDRKT-CWRNSKLLSA-N 1 1 305.422 3.427 20 5 DGBDMO CC[N@H+]1CCC[C@@H](CNc2ccc3cc([N+](=O)[O-])ccc3n2)C1 ZINC001333671526 1178650798 /nfs/dbraw/zinc/65/07/98/1178650798.db2.gz IUKOOUYVWFRCIS-ZDUSSCGKSA-N 1 1 314.389 3.287 20 5 DGBDMO COc1cccc(F)c1C[NH2+][C@@H](C)c1ccc(N)c([N+](=O)[O-])c1 ZINC001334755446 1178792256 /nfs/dbraw/zinc/79/22/56/1178792256.db2.gz OSFNXYQMGPOLHE-JTQLQIEISA-N 1 1 319.336 3.176 20 5 DGBDMO CCC[N@H+]1CCCC[C@H]1C(=O)N[C@@H](C)c1ccc([N+](=O)[O-])cc1 ZINC001350943514 1180148433 /nfs/dbraw/zinc/14/84/33/1180148433.db2.gz FBJJEHGWIUCJQO-BBRMVZONSA-N 1 1 319.405 3.037 20 5 DGBDMO CC[N@H+]1CC[C@H]1CNc1ccc([N+](=O)[O-])c(C(F)(F)F)c1 ZINC001458550167 1182538918 /nfs/dbraw/zinc/53/89/18/1182538918.db2.gz RTLKZFSHBBIEMP-JTQLQIEISA-N 1 1 303.284 3.120 20 5 DGBDMO CC(C)c1ncc(CNc2ncnc3sc([N+](=O)[O-])cc32)[nH]1 ZINC001458636400 1182546043 /nfs/dbraw/zinc/54/60/43/1182546043.db2.gz GEZIBUHYJDVSRN-UHFFFAOYSA-N 1 1 318.362 3.058 20 5 DGBDMO C[N@H+]1CCC[C@H]1CSc1nc2ccc([N+](=O)[O-])cc2s1 ZINC001458778318 1182553239 /nfs/dbraw/zinc/55/32/39/1182553239.db2.gz VBQWVSXNZFBTAK-JTQLQIEISA-N 1 1 309.416 3.391 20 5 DGBDMO O=[N+]([O-])c1ccc(C[N@@H+]2CC[C@@H](c3cnccn3)C2)c(Cl)c1 ZINC001460866209 1182734558 /nfs/dbraw/zinc/73/45/58/1182734558.db2.gz YAPRERSNGBNYFW-GFCCVEGCSA-N 1 1 318.764 3.028 20 5 DGBDMO O=[N+]([O-])c1ccc(C[N@H+]2CC[C@@H](c3cnccn3)C2)c(Cl)c1 ZINC001460866209 1182734561 /nfs/dbraw/zinc/73/45/61/1182734561.db2.gz YAPRERSNGBNYFW-GFCCVEGCSA-N 1 1 318.764 3.028 20 5 DGBDMO COc1ccc(C[C@H]2CC[N@H+]2Cc2ccccc2[N+](=O)[O-])cc1 ZINC001473217614 1183732503 /nfs/dbraw/zinc/73/25/03/1183732503.db2.gz BWVLNCPVIZPGGV-MRXNPFEDSA-N 1 1 312.369 3.420 20 5 DGBDMO COc1ccc(C[N@H+]2C[C@H]3[C@H]4C=C[C@H](C4)[C@@]3(C)C2)cc1[N+](=O)[O-] ZINC001473840633 1183810714 /nfs/dbraw/zinc/81/07/14/1183810714.db2.gz DMJOVIZDPBPARA-JTOWHCCKSA-N 1 1 314.385 3.247 20 5 DGBDMO CC(=Cc1cccc([N+](=O)[O-])c1)C[N@H+](C)Cc1cccc(=O)[nH]1 ZINC001474721229 1183967540 /nfs/dbraw/zinc/96/75/40/1183967540.db2.gz URFASKLORUENBW-LCYFTJDESA-N 1 1 313.357 3.231 20 5 DGBDMO C[N@H+]1CCCC[C@@H]1CNc1ccc2cnccc2c1[N+](=O)[O-] ZINC001613026601 1193465780 /nfs/dbraw/zinc/46/57/80/1193465780.db2.gz HNVSBSOYTUWGQS-CYBMUJFWSA-N 1 1 300.362 3.039 20 5 DGBDMO CCCC1CC[NH+]([C@@H](C)C(=O)Nc2ccc([N+](=O)[O-])cc2)CC1 ZINC001615740941 1193526933 /nfs/dbraw/zinc/52/69/33/1193526933.db2.gz YEXDJSSFHXTYTD-ZDUSSCGKSA-N 1 1 319.405 3.434 20 5 DGBDMO C[C@@H]1[C@@H](Nc2ccc(C(F)(F)F)cc2[N+](=O)[O-])CC[N@H+]1C ZINC001559283672 1189192098 /nfs/dbraw/zinc/19/20/98/1189192098.db2.gz SLYPGLWRFLMQSP-SCZZXKLOSA-N 1 1 303.284 3.118 20 5 DGBDMO CC[N@@H+]1[C@H](C)CN(Cc2ccc(Cl)c([N+](=O)[O-])c2)C[C@@H]1C ZINC001559956060 1189262768 /nfs/dbraw/zinc/26/27/68/1189262768.db2.gz KUNXWMYUHHUHNY-TXEJJXNPSA-N 1 1 311.813 3.163 20 5 DGBDMO CC[N@@H+](CCc1ccc([N+](=O)[O-])cc1)[C@@H](CO)c1ccccc1 ZINC001560097861 1189278367 /nfs/dbraw/zinc/27/83/67/1189278367.db2.gz QOPBTWSDWJMDSX-SFHVURJKSA-N 1 1 314.385 3.193 20 5 DGBDMO CCC1(CC)CCC[N@H+]1CC(=O)Nc1c(C)cccc1[N+](=O)[O-] ZINC001560119651 1189280297 /nfs/dbraw/zinc/28/02/97/1189280297.db2.gz MNWCUNZVLWTPGG-UHFFFAOYSA-N 1 1 319.405 3.496 20 5 DGBDMO CCC[C@H]1CCC[N@H+]1CCC(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC001560201256 1189289890 /nfs/dbraw/zinc/28/98/90/1189289890.db2.gz HAQJLNWRVGEUFN-AWEZNQCLSA-N 1 1 305.378 3.188 20 5 DGBDMO COc1nc2ccccc2cc1C[NH2+]Cc1ccc([N+](=O)[O-])cc1 ZINC001560282895 1189305004 /nfs/dbraw/zinc/30/50/04/1189305004.db2.gz LUPSLDNSHBJGSD-UHFFFAOYSA-N 1 1 323.352 3.441 20 5 DGBDMO CC[C@@H](C)C[N@@H+](CC)CCOc1ccc(OC)cc1[N+](=O)[O-] ZINC001657471524 1196146616 /nfs/dbraw/zinc/14/66/16/1196146616.db2.gz MTTAVHQYJCGEDU-CYBMUJFWSA-N 1 1 310.394 3.350 20 5 DGBDMO C[C@]([NH3+])(C(=O)Nc1ccccc1Cl)c1cccc([N+](=O)[O-])c1 ZINC001576085533 1191527638 /nfs/dbraw/zinc/52/76/38/1191527638.db2.gz LDNPBTJNHCGVIY-OAHLLOKOSA-N 1 1 319.748 3.061 20 5 DGBDMO COc1ccc(OCC[N@@H+](C)CCC(C)(C)C)c([N+](=O)[O-])c1 ZINC001618811854 1193752974 /nfs/dbraw/zinc/75/29/74/1193752974.db2.gz FSDFKURAZXSDDK-UHFFFAOYSA-N 1 1 310.394 3.350 20 5 DGBDMO O=[N+]([O-])c1ccc(CC[N@H+]2CCCC[C@H]([C@H]3CCOC3)C2)cc1 ZINC001620655123 1193786962 /nfs/dbraw/zinc/78/69/62/1193786962.db2.gz YQEQLWKGEHVHAF-IRXDYDNUSA-N 1 1 318.417 3.276 20 5 DGBDMO C[N@@H+](CCNc1c(Cl)c(Cl)ccc1[N+](=O)[O-])C1CC1 ZINC001639346126 1194761207 /nfs/dbraw/zinc/76/12/07/1194761207.db2.gz XKHMMIYYIMIHHO-UHFFFAOYSA-N 1 1 304.177 3.408 20 5 DGBDMO CC1(C)CCC[N@H+]1CCNc1nc2ccccc2cc1[N+](=O)[O-] ZINC001642787487 1194938932 /nfs/dbraw/zinc/93/89/32/1194938932.db2.gz UWIVJLMAICIUJZ-UHFFFAOYSA-N 1 1 314.389 3.429 20 5 DGBDMO C[N@@H+](CCc1cccc(F)c1)CCc1ccccc1[N+](=O)[O-] ZINC001643057225 1194964052 /nfs/dbraw/zinc/96/40/52/1194964052.db2.gz SQIJPZHXCDZORU-UHFFFAOYSA-N 1 1 302.349 3.451 20 5 DGBDMO CCC[N@@H+](CC(C)C)[C@H](C)C(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC001644456280 1195109721 /nfs/dbraw/zinc/10/97/21/1195109721.db2.gz GXRNAYDMUZBESL-CYBMUJFWSA-N 1 1 307.394 3.290 20 5 DGBDMO C[C@H](c1ccccc1)[N@H+](CCO)Cc1ccc([N+](=O)[O-])cc1F ZINC001644977484 1195147581 /nfs/dbraw/zinc/14/75/81/1195147581.db2.gz NGMZMVTVADVRPK-CYBMUJFWSA-N 1 1 318.348 3.289 20 5 DGBDMO C[C@H](c1ccccc1)[N@@H+](CCO)Cc1ccc([N+](=O)[O-])cc1F ZINC001644977484 1195147584 /nfs/dbraw/zinc/14/75/84/1195147584.db2.gz NGMZMVTVADVRPK-CYBMUJFWSA-N 1 1 318.348 3.289 20 5 DGBDMO CC[N@@H+](c1ccc(Nc2c([N+](=O)[O-])cnn2C)cc1)C(C)C ZINC001651350047 1195448003 /nfs/dbraw/zinc/44/80/03/1195448003.db2.gz BBNKABOMULIBBI-UHFFFAOYSA-N 1 1 303.366 3.307 20 5 DGBDMO CC[N@H+](c1ccc(Nc2c([N+](=O)[O-])cnn2C)cc1)C(C)C ZINC001651350047 1195448007 /nfs/dbraw/zinc/44/80/07/1195448007.db2.gz BBNKABOMULIBBI-UHFFFAOYSA-N 1 1 303.366 3.307 20 5 DGBDMO C[C@H]1CCC[N@@H+](CCNc2ncc([N+](=O)[O-])c3ccccc32)C1 ZINC001651373522 1195451028 /nfs/dbraw/zinc/45/10/28/1195451028.db2.gz GFVMZFACXUKYNW-ZDUSSCGKSA-N 1 1 314.389 3.287 20 5 DGBDMO C[C@@H]1CN(c2c(F)cccc2[N+](=O)[O-])CC[N@H+]1C1CCCC1 ZINC001652233754 1195566516 /nfs/dbraw/zinc/56/65/16/1195566516.db2.gz AOSHUMREJJZAGL-GFCCVEGCSA-N 1 1 307.369 3.187 20 5 DGBDMO Cc1cccc(NCCNc2nccc3c2cccc3[N+](=O)[O-])[nH+]1 ZINC001652258537 1195571469 /nfs/dbraw/zinc/57/14/69/1195571469.db2.gz PAJAWVNGJUIOIH-UHFFFAOYSA-N 1 1 323.356 3.370 20 5 DGBDMO Cc1ncc([N+](=O)[O-])n1CC[N@H+]1CCC[C@H]1C1CCCCC1 ZINC001653175766 1195695434 /nfs/dbraw/zinc/69/54/34/1195695434.db2.gz LPIRRJMCHHTWCT-HNNXBMFYSA-N 1 1 306.410 3.144 20 5 DGBDMO CCC[N@H+](CCc1cccs1)CCn1c(C)ncc1[N+](=O)[O-] ZINC001653211401 1195698550 /nfs/dbraw/zinc/69/85/50/1195698550.db2.gz CDHXNKMMJQRPCQ-UHFFFAOYSA-N 1 1 322.434 3.116 20 5 DGBDMO CC(C)C1(O)CC[NH+](Cc2ccc([N+](=O)[O-])c(Cl)c2)CC1 ZINC001653246455 1195703108 /nfs/dbraw/zinc/70/31/08/1195703108.db2.gz OTDDHULJAGBNLD-UHFFFAOYSA-N 1 1 312.797 3.231 20 5 DGBDMO CC[C@H]1CCC[N@H+]([C@@H](C)C(=O)Nc2ccc([N+](=O)[O-])cc2)CC1 ZINC001653360579 1195714113 /nfs/dbraw/zinc/71/41/13/1195714113.db2.gz RWIUGIQGUSZOMH-KBPBESRZSA-N 1 1 319.405 3.434 20 5 DGBDMO C[C@H](C(=O)Nc1cccc([N+](=O)[O-])c1)[N@H+]1C[C@@H](C)CC(C)(C)C1 ZINC001653868230 1195756206 /nfs/dbraw/zinc/75/62/06/1195756206.db2.gz LRKDXKYNCNUGKE-QWHCGFSZSA-N 1 1 319.405 3.290 20 5 DGBDMO COc1ccc(OCC[N@H+]2[C@@H](C)CCC2(C)C)c([N+](=O)[O-])c1 ZINC001653869424 1195756674 /nfs/dbraw/zinc/75/66/74/1195756674.db2.gz RBBXSGGEDQHONF-LBPRGKRZSA-N 1 1 308.378 3.245 20 5 DGBDMO Cc1ncsc1CCC[N@H+](C)CCc1cccc([N+](=O)[O-])c1 ZINC001654261589 1195788892 /nfs/dbraw/zinc/78/88/92/1195788892.db2.gz KHESNVUCADFPKD-UHFFFAOYSA-N 1 1 319.430 3.467 20 5 DGBDMO C[C@@H]([NH2+]Cc1cnnn1-c1ccccc1)c1ccc([N+](=O)[O-])cc1 ZINC001654748396 1195834977 /nfs/dbraw/zinc/83/49/77/1195834977.db2.gz YJMWWIBCOBGGFC-CYBMUJFWSA-N 1 1 323.356 3.026 20 5 DGBDMO CC(C)(C)[C@@H]1CC[N@@H+](CCOc2cccc([N+](=O)[O-])c2)CCO1 ZINC001655130892 1195880831 /nfs/dbraw/zinc/88/08/31/1195880831.db2.gz OBVCLWQNADFHPF-INIZCTEOSA-N 1 1 322.405 3.111 20 5 DGBDMO Cc1c(CN[C@H](C)C[N@H+]2CCC[C@@H](C)C2)cccc1[N+](=O)[O-] ZINC001655415825 1195914212 /nfs/dbraw/zinc/91/42/12/1195914212.db2.gz ALOBKXZFHWHPAH-ZIAGYGMSSA-N 1 1 305.422 3.113 20 5 DGBDMO Cc1c(C[NH2+][C@H](C)CN2CCC[C@@H](C)C2)cccc1[N+](=O)[O-] ZINC001655415825 1195914217 /nfs/dbraw/zinc/91/42/17/1195914217.db2.gz ALOBKXZFHWHPAH-ZIAGYGMSSA-N 1 1 305.422 3.113 20 5 DGBDMO O=[N+]([O-])c1ccc(CC[N@H+]2C[C@@H]3C[C@H]2CN3c2ccccc2)cc1 ZINC001655445358 1195918491 /nfs/dbraw/zinc/91/84/91/1195918491.db2.gz LYLIUWUFGDZLTN-OALUTQOASA-N 1 1 323.396 3.100 20 5 DGBDMO C[N@@H+]1CCN(c2c(F)cc([N+](=O)[O-])cc2F)C[C@H]1C(C)(C)C ZINC001655801495 1195964215 /nfs/dbraw/zinc/96/42/15/1195964215.db2.gz GUPUOEVUUCZJDS-ZDUSSCGKSA-N 1 1 313.348 3.040 20 5 DGBDMO C[N@H+]1CCN(c2c(F)cc([N+](=O)[O-])cc2F)C[C@H]1C(C)(C)C ZINC001655801495 1195964217 /nfs/dbraw/zinc/96/42/17/1195964217.db2.gz GUPUOEVUUCZJDS-ZDUSSCGKSA-N 1 1 313.348 3.040 20 5 DGBDMO O=[N+]([O-])c1ccc(OCCC[N@H+]2CCCC[C@]23CCOC3)cc1 ZINC001655904872 1195976060 /nfs/dbraw/zinc/97/60/60/1195976060.db2.gz DPYREHCUOMYFSZ-QGZVFWFLSA-N 1 1 320.389 3.009 20 5 DGBDMO COc1ccc([N+](=O)[O-])cc1C[N@H+]1C[C@H]2[C@H]3CC[C@H](C3)[C@@]2(C)C1 ZINC001656307492 1196028560 /nfs/dbraw/zinc/02/85/60/1196028560.db2.gz YBNDOKYZCQKTDG-PZMTTYODSA-N 1 1 316.401 3.471 20 5 DGBDMO O=[N+]([O-])c1ccc([C@@H](O)C[N@H+]2CC=CC23CCCCC3)cc1 ZINC001656562149 1196050806 /nfs/dbraw/zinc/05/08/06/1196050806.db2.gz KTYVIWULODNLSO-INIZCTEOSA-N 1 1 302.374 3.203 20 5 DGBDMO Cc1c(CNC[C@H](C)[N@@H+]2CCCC[C@@H]2C)cccc1[N+](=O)[O-] ZINC001656774065 1196070715 /nfs/dbraw/zinc/07/07/15/1196070715.db2.gz IWLLLWYAGWZCOJ-KBPBESRZSA-N 1 1 305.422 3.256 20 5 DGBDMO Cc1c(CNC[C@H](C)[N@H+]2CCCC[C@@H]2C)cccc1[N+](=O)[O-] ZINC001656774065 1196070717 /nfs/dbraw/zinc/07/07/17/1196070717.db2.gz IWLLLWYAGWZCOJ-KBPBESRZSA-N 1 1 305.422 3.256 20 5 DGBDMO Cc1c(C[NH2+]CCc2ccc3cn[nH]c3c2)cccc1[N+](=O)[O-] ZINC001657353614 1196133027 /nfs/dbraw/zinc/13/30/27/1196133027.db2.gz TWGIWSPUIBBSIU-UHFFFAOYSA-N 1 1 310.357 3.112 20 5 DGBDMO COc1c(O)ccc(C[N@H+]2CCC[C@@H]2CC(C)C)c1[N+](=O)[O-] ZINC001657388660 1196136807 /nfs/dbraw/zinc/13/68/07/1196136807.db2.gz ZUOLPVZOTHJIQX-CYBMUJFWSA-N 1 1 308.378 3.320 20 5 DGBDMO COc1ccc(OCC[N@H+]2C[C@@H](C)CC(C)(C)C2)c([N+](=O)[O-])c1 ZINC001657911580 1196193205 /nfs/dbraw/zinc/19/32/05/1196193205.db2.gz BRQQJMLALKQZDN-ZDUSSCGKSA-N 1 1 322.405 3.350 20 5 DGBDMO CC[C@H]1CC[N@@H+](CCC(=O)Nc2ccc([N+](=O)[O-])cc2)[C@@H]1C ZINC001658340940 1196244365 /nfs/dbraw/zinc/24/43/65/1196244365.db2.gz HDHLECLTQZFDDQ-OLZOCXBDSA-N 1 1 305.378 3.044 20 5 DGBDMO COc1ccc(C[N@@H+]2CCc3ccc([N+](=O)[O-])cc3C2)c(C)c1 ZINC001658544368 1196272272 /nfs/dbraw/zinc/27/22/72/1196272272.db2.gz KEHRNEQAXVPIEF-UHFFFAOYSA-N 1 1 312.369 3.470 20 5 DGBDMO COc1ccc(C[N@H+]2CCc3ccc([N+](=O)[O-])cc3C2)c(C)c1 ZINC001658544368 1196272275 /nfs/dbraw/zinc/27/22/75/1196272275.db2.gz KEHRNEQAXVPIEF-UHFFFAOYSA-N 1 1 312.369 3.470 20 5 DGBDMO CC(C)CCCC[N@H+]1CC[C@H](Nc2ccc([N+](=O)[O-])cn2)C1 ZINC001658879116 1196313759 /nfs/dbraw/zinc/31/37/59/1196313759.db2.gz GJFKICYFZLYTHL-AWEZNQCLSA-N 1 1 306.410 3.302 20 5 DGBDMO CC1(C)CC[N@@H+](CCNCc2ccc(Cl)cc2[N+](=O)[O-])C1 ZINC001659077933 1196342462 /nfs/dbraw/zinc/34/24/62/1196342462.db2.gz SEFVTTAGXFXRRK-UHFFFAOYSA-N 1 1 311.813 3.070 20 5 DGBDMO CC1(C)CCN(CC[NH2+]Cc2ccc(Cl)cc2[N+](=O)[O-])C1 ZINC001659077933 1196342465 /nfs/dbraw/zinc/34/24/65/1196342465.db2.gz SEFVTTAGXFXRRK-UHFFFAOYSA-N 1 1 311.813 3.070 20 5 DGBDMO CC(C)(C)[N@H+]1CC[C@@H](NCc2ccc(Cl)cc2[N+](=O)[O-])C1 ZINC001660263773 1196463210 /nfs/dbraw/zinc/46/32/10/1196463210.db2.gz WSNVPHUYKFDVDA-CYBMUJFWSA-N 1 1 311.813 3.211 20 5 DGBDMO CCC[C@H]1CCC[N@H+]1CC(=O)Nc1ccc([N+](=O)[O-])cc1C ZINC001660495163 1196490724 /nfs/dbraw/zinc/49/07/24/1196490724.db2.gz SNHVRWFGCGHJPA-ZDUSSCGKSA-N 1 1 305.378 3.106 20 5 DGBDMO COc1ccc(C[NH2+]Cc2cc([N+](=O)[O-])ccc2Cl)cc1O ZINC001661915020 1196662744 /nfs/dbraw/zinc/66/27/44/1196662744.db2.gz MAHWUVUPADLURK-UHFFFAOYSA-N 1 1 322.748 3.252 20 5 DGBDMO CCC[N@@H+]1CC[C@H](NCc2ccc(C(C)C)c([N+](=O)[O-])c2)C1 ZINC001662946562 1196775147 /nfs/dbraw/zinc/77/51/47/1196775147.db2.gz KUISZMACFNCLJM-HNNXBMFYSA-N 1 1 305.422 3.292 20 5 DGBDMO CCC[N@H+]1CC[C@H](NCc2ccc(C(C)C)c([N+](=O)[O-])c2)C1 ZINC001662946562 1196775150 /nfs/dbraw/zinc/77/51/50/1196775150.db2.gz KUISZMACFNCLJM-HNNXBMFYSA-N 1 1 305.422 3.292 20 5 DGBDMO CO[C@@](C)(C[N@@H+](C)Cc1cc([N+](=O)[O-])ccc1Cl)C1CC1 ZINC001663641159 1196919479 /nfs/dbraw/zinc/91/94/79/1196919479.db2.gz JBPMAINJJGKXQJ-HNNXBMFYSA-N 1 1 312.797 3.495 20 5 DGBDMO CCCC[N@@H+](C)C[C@H](C)NC(=O)Nc1cc(C)cc([N+](=O)[O-])c1 ZINC001665334091 1197124473 /nfs/dbraw/zinc/12/44/73/1197124473.db2.gz YYFMFSRYPFSBOY-ZDUSSCGKSA-N 1 1 322.409 3.145 20 5 DGBDMO CCC[N@@H+](C)CC(C)(C)NC(=O)Nc1ccc([N+](=O)[O-])c(C)c1 ZINC001668373228 1197412522 /nfs/dbraw/zinc/41/25/22/1197412522.db2.gz QZMMFCPQZUKFQB-UHFFFAOYSA-N 1 1 322.409 3.145 20 5 DGBDMO C[N@H+]1CCC[C@@H](CCNc2ncc([N+](=O)[O-])c3ccccc32)C1 ZINC001156377799 1081653143 /nfs/dbraw/zinc/65/31/43/1081653143.db2.gz GBJFMWSKDYJUED-ZDUSSCGKSA-N 1 1 314.389 3.287 20 5 DGBDMO C[N@@H+](CCc1ccccc1[N+](=O)[O-])C[C@H]1CCC(C)(C)CO1 ZINC001170192630 1082310687 /nfs/dbraw/zinc/31/06/87/1082310687.db2.gz CBGFLBPXBSAFRC-OAHLLOKOSA-N 1 1 306.406 3.274 20 5 DGBDMO COc1ccc(C[C@@H](C)[N@H+]2CCCC[C@H](F)C2)c([N+](=O)[O-])c1 ZINC001170329778 1082347534 /nfs/dbraw/zinc/34/75/34/1082347534.db2.gz UHZIFHVLBUQJIM-OCCSQVGLSA-N 1 1 310.369 3.358 20 5 DGBDMO COc1ccc(C[C@@H](C)[N@H+]2CC[C@](C)(CF)C2)c([N+](=O)[O-])c1 ZINC001170328720 1082347907 /nfs/dbraw/zinc/34/79/07/1082347907.db2.gz LQVSCQALEOLRFD-MLGOLLRUSA-N 1 1 310.369 3.216 20 5 DGBDMO COc1ccc(C[C@@H](C)[N@@H+]2CC[C@@H](C)[C@H](F)C2)c([N+](=O)[O-])c1 ZINC001170328351 1082348078 /nfs/dbraw/zinc/34/80/78/1082348078.db2.gz JYPCWSCOCJPKBY-LALPHHSUSA-N 1 1 310.369 3.214 20 5 DGBDMO COc1ccc(C[C@@H](C)[N@H+]2CC[C@@H](C)[C@H](F)C2)c([N+](=O)[O-])c1 ZINC001170328351 1082348081 /nfs/dbraw/zinc/34/80/81/1082348081.db2.gz JYPCWSCOCJPKBY-LALPHHSUSA-N 1 1 310.369 3.214 20 5 DGBDMO COc1cccc2c1C[N@H+](Cc1cccc([N+](=O)[O-])c1C)CC2 ZINC001170343261 1082355588 /nfs/dbraw/zinc/35/55/88/1082355588.db2.gz YHMGLOYPEAIEIZ-UHFFFAOYSA-N 1 1 312.369 3.470 20 5 DGBDMO COc1cccc2c1C[N@@H+](Cc1cccc([N+](=O)[O-])c1C)CC2 ZINC001170343261 1082355593 /nfs/dbraw/zinc/35/55/93/1082355593.db2.gz YHMGLOYPEAIEIZ-UHFFFAOYSA-N 1 1 312.369 3.470 20 5 DGBDMO CCCO[C@@H]1CC[N@H+]([C@@H](C)Cc2ccc(OC)cc2[N+](=O)[O-])C1 ZINC001170344359 1082356029 /nfs/dbraw/zinc/35/60/29/1082356029.db2.gz BBSJLFAUZDHMAQ-XJKSGUPXSA-N 1 1 322.405 3.035 20 5 DGBDMO COc1ccc(C[C@H](C)[N@H+]2CCC[C@@H](OC)CC2)c([N+](=O)[O-])c1 ZINC001170350998 1082358370 /nfs/dbraw/zinc/35/83/70/1082358370.db2.gz DGDVXFYSKUVXKW-DZGCQCFKSA-N 1 1 322.405 3.035 20 5 DGBDMO CN(C[C@@H]1CCC[N@@H+](C)C1)c1ccc([N+](=O)[O-])cc1C(F)F ZINC001185420094 1084433859 /nfs/dbraw/zinc/43/38/59/1084433859.db2.gz BWHKAEMJVQEMAQ-LLVKDONJSA-N 1 1 313.348 3.310 20 5 DGBDMO N=C(Nc1ccc(-c2ccc([N+](=O)[O-])cc2)cc1)SCC[NH3+] ZINC001167912004 1084623599 /nfs/dbraw/zinc/62/35/99/1084623599.db2.gz IVBIUUQYTFSGHD-UHFFFAOYSA-N 1 1 316.386 3.300 20 5 DGBDMO CCC[N@H+]1CC[C@H](Nc2ncc([N+](=O)[O-])c3ccccc32)C1 ZINC001187140249 1084763276 /nfs/dbraw/zinc/76/32/76/1084763276.db2.gz JZDOFOIQFZHPRW-LBPRGKRZSA-N 1 1 300.362 3.039 20 5 DGBDMO Cc1cc([N+](=O)[O-])cc(N(C(N)=[NH2+])c2ccc(F)cc2)c1F ZINC001167994891 1086060126 /nfs/dbraw/zinc/06/01/26/1086060126.db2.gz RMJYVPZPHCSILI-UHFFFAOYSA-N 1 1 306.272 3.213 20 5 DGBDMO O=[N+]([O-])c1cccc2nc(N[C@H]3CC[N@H+](C4CCC4)C3)ccc21 ZINC001161176724 1089141559 /nfs/dbraw/zinc/14/15/59/1089141559.db2.gz CAXMQZBNWFZVPS-LBPRGKRZSA-N 1 1 312.373 3.182 20 5 DGBDMO CC[C@@H](Nc1cc(/C=C/[NH+](C)C)c([N+](=O)[O-])cn1)C(F)(F)F ZINC001161375610 1089215775 /nfs/dbraw/zinc/21/57/75/1089215775.db2.gz QSAQJUFHJFBKGH-MVIFTORASA-N 1 1 318.299 3.275 20 5 DGBDMO Cc1cc(Cl)c([N+](=O)[O-])c(NCc2[nH+]cn3ccccc23)n1 ZINC001161684377 1089344579 /nfs/dbraw/zinc/34/45/79/1089344579.db2.gz RMNQCUANIWNQBN-UHFFFAOYSA-N 1 1 317.736 3.211 20 5 DGBDMO CC(C)[N@@H+](C)[C@@H]1CCN(c2ncc([N+](=O)[O-])c3ccccc32)C1 ZINC001157010945 1089785480 /nfs/dbraw/zinc/78/54/80/1089785480.db2.gz UUWCKSBACZMTBW-CYBMUJFWSA-N 1 1 314.389 3.062 20 5 DGBDMO CC(C)[N@H+]1CC[C@H](Nc2cc(Cl)ncc2[N+](=O)[O-])[C@@H](C)C1 ZINC001163362764 1090164078 /nfs/dbraw/zinc/16/40/78/1090164078.db2.gz NYJWHHWYYIGDTF-QWRGUYRKSA-N 1 1 312.801 3.174 20 5 DGBDMO Cc1c(C)c([N+](=O)[O-])cnc1N[C@@H]1CC[N@H+](C(C)C)C[C@@H]1C ZINC001163367384 1090166621 /nfs/dbraw/zinc/16/66/21/1090166621.db2.gz YXAPGNQAVPCHPZ-SMDDNHRTSA-N 1 1 306.410 3.137 20 5 DGBDMO C[C@H]1CN(c2ccsc2[N+](=O)[O-])CC[N@@H+]1Cc1ccccc1 ZINC001163493616 1090198985 /nfs/dbraw/zinc/19/89/85/1090198985.db2.gz FPUBUOVHUXKNRW-ZDUSSCGKSA-N 1 1 317.414 3.367 20 5 DGBDMO C[C@H]1CN(c2ccsc2[N+](=O)[O-])CC[N@H+]1Cc1ccccc1 ZINC001163493616 1090198989 /nfs/dbraw/zinc/19/89/89/1090198989.db2.gz FPUBUOVHUXKNRW-ZDUSSCGKSA-N 1 1 317.414 3.367 20 5 DGBDMO Cc1[nH+]ccn1CCNc1ncnc2cc3ccccc3cc21 ZINC001163920242 1090286635 /nfs/dbraw/zinc/28/66/35/1090286635.db2.gz SXPRHQYUHNDYPE-UHFFFAOYSA-N 1 1 303.369 3.400 20 5 DGBDMO O=[N+]([O-])c1ccc(Cl)c(C[NH2+][C@@H](CCO)c2ccccc2)c1 ZINC001168675933 1090700085 /nfs/dbraw/zinc/70/00/85/1090700085.db2.gz HIHZDOOTYMFTFK-INIZCTEOSA-N 1 1 320.776 3.462 20 5 DGBDMO CCOc1ccc(NC(=O)C[N@@H+](CC)C(C)(C)C)c([N+](=O)[O-])c1 ZINC001117804993 1091074456 /nfs/dbraw/zinc/07/44/56/1091074456.db2.gz SAHZYGOYDPEFNI-UHFFFAOYSA-N 1 1 323.393 3.052 20 5 DGBDMO O=[N+]([O-])c1cc(Cl)cc(N[C@H]2CC[N@@H+](CC3CCCC3)C2)n1 ZINC001161186223 1091511746 /nfs/dbraw/zinc/51/17/46/1091511746.db2.gz DSQJINCGDUHUBT-ZDUSSCGKSA-N 1 1 324.812 3.320 20 5 DGBDMO C[C@@H]1C(=O)NCC[N@@H+]1Cc1c2ccccc2cc2ccccc21 ZINC001141728603 1092324559 /nfs/dbraw/zinc/32/45/59/1092324559.db2.gz ZFBZOCRTXPIZEM-CQSZACIVSA-N 1 1 304.393 3.313 20 5 DGBDMO O=[N+]([O-])C[C@@H]1CC[C@H]([N@H+]2CCSC[C@H]2c2ccccc2)C1 ZINC001169034943 1092497166 /nfs/dbraw/zinc/49/71/66/1092497166.db2.gz ISYBGGVWCVQLMR-KBMXLJTQSA-N 1 1 306.431 3.222 20 5 DGBDMO O=[N+]([O-])C[C@@H]1CC[C@H]([N@H+]2CCC[C@@H](OCc3ccccc3)C2)C1 ZINC001169040207 1092500070 /nfs/dbraw/zinc/50/00/70/1092500070.db2.gz YTMPUIPXTUKFAG-FGTMMUONSA-N 1 1 318.417 3.113 20 5 DGBDMO O=[N+]([O-])C[C@@H]1CC[C@@H]([N@H+]2CCC[C@H](OCc3ccccc3)C2)C1 ZINC001169040208 1092501296 /nfs/dbraw/zinc/50/12/96/1092501296.db2.gz YTMPUIPXTUKFAG-KURKYZTESA-N 1 1 318.417 3.113 20 5 DGBDMO Cc1ccc(O[C@@H]2CCC[N@H+]([C@@H]3CC[C@H](C[N+](=O)[O-])C3)C2)cc1 ZINC001169025023 1092505356 /nfs/dbraw/zinc/50/53/56/1092505356.db2.gz IMMOQLVMTRPFEN-LZLYRXPVSA-N 1 1 318.417 3.284 20 5 DGBDMO CCC[C@H](C(=O)c1ccccc1)[N@@H+](C)[C@@H]1CC[C@H](C[N+](=O)[O-])C1 ZINC001169049196 1092510177 /nfs/dbraw/zinc/51/01/77/1092510177.db2.gz WHQWQHNCQGPNKY-USXIJHARSA-N 1 1 318.417 3.415 20 5 DGBDMO COC[C@H]1CNCC[N@@H+]1Cc1c2ccccc2cc2ccccc21 ZINC001210531619 1093199564 /nfs/dbraw/zinc/19/95/64/1093199564.db2.gz VPKFDODIONBJBZ-GOSISDBHSA-N 1 1 320.436 3.413 20 5 DGBDMO COC[C@H]1CNCC[N@H+]1Cc1c2ccccc2cc2ccccc21 ZINC001210531619 1093199566 /nfs/dbraw/zinc/19/95/66/1093199566.db2.gz VPKFDODIONBJBZ-GOSISDBHSA-N 1 1 320.436 3.413 20 5 DGBDMO Cc1ccc([C@@H](C)[NH2+]Cc2nccn2C2CC2)cc1[N+](=O)[O-] ZINC001120249851 1094394939 /nfs/dbraw/zinc/39/49/39/1094394939.db2.gz PXVQWNPSWBRPIV-GFCCVEGCSA-N 1 1 300.362 3.285 20 5 DGBDMO C[C@H](Nc1ccc(N)cc1[N+](=O)[O-])[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC001337914513 1095137826 /nfs/dbraw/zinc/13/78/26/1095137826.db2.gz MWVSSVSIAFFFTD-QWHCGFSZSA-N 1 1 318.421 3.242 20 5 DGBDMO O=[N+]([O-])c1ccc(OCC[N@H+]2CC[C@@H]3CCCC[C@@H]3C2)cc1 ZINC001115907970 1095417496 /nfs/dbraw/zinc/41/74/96/1095417496.db2.gz RPOALCSEDBEYJU-LSDHHAIUSA-N 1 1 304.390 3.486 20 5 DGBDMO Cc1cc(N2CCC[N@H+]3CCC[C@H]3C2)c(Cl)cc1[N+](=O)[O-] ZINC001116191664 1095480327 /nfs/dbraw/zinc/48/03/27/1095480327.db2.gz YOXQLNLZYJPWNO-LBPRGKRZSA-N 1 1 309.797 3.231 20 5 DGBDMO O=[N+]([O-])c1ccc([C@H](O)C[N@H+]2CC[C@@H]3CCCC[C@@H]3C2)cc1 ZINC001116478409 1095571119 /nfs/dbraw/zinc/57/11/19/1095571119.db2.gz HVOJMUXTYBFIKD-YSVLISHTSA-N 1 1 304.390 3.140 20 5 DGBDMO O=[N+]([O-])c1ccc(CO[C@H]2CC[N@@H+](Cc3ccccc3)C2)cc1 ZINC001222790447 1095754611 /nfs/dbraw/zinc/75/46/11/1095754611.db2.gz UXIRKZYNEJMGDW-SFHVURJKSA-N 1 1 312.369 3.386 20 5 DGBDMO O=[N+]([O-])c1ccc(O[C@@H]2CC[N@@H+](Cc3ccccc3)C2)cc1F ZINC001225911768 1096561047 /nfs/dbraw/zinc/56/10/47/1096561047.db2.gz BDNMTTULTLMEPX-OAHLLOKOSA-N 1 1 316.332 3.387 20 5 DGBDMO CC(C)[N@H+]1CCC[C@H](Oc2cc([N+](=O)[O-])c(F)cc2F)C1 ZINC001226181643 1096631038 /nfs/dbraw/zinc/63/10/38/1096631038.db2.gz SODPQRUEWMBQPN-JTQLQIEISA-N 1 1 300.305 3.125 20 5 DGBDMO CC[N@H+]1CC[C@H](Oc2cc(C(F)(F)F)ccc2[N+](=O)[O-])C1 ZINC001226302428 1096657762 /nfs/dbraw/zinc/65/77/62/1096657762.db2.gz ZPDYWJZGAJTBDP-JTQLQIEISA-N 1 1 304.268 3.087 20 5 DGBDMO CC[N@H+]1CCC[C@H](Oc2cc(Cl)c(F)cc2[N+](=O)[O-])C1 ZINC001226908109 1096812579 /nfs/dbraw/zinc/81/25/79/1096812579.db2.gz DDRBWXMPVKZBAZ-VIFPVBQESA-N 1 1 302.733 3.250 20 5 DGBDMO Cc1ccc([N+](=O)[O-])c(O[C@H]2C[C@H]3CC[C@@H](C2)[N@@H+]3C(C)C)n1 ZINC001227062003 1096857827 /nfs/dbraw/zinc/85/78/27/1096857827.db2.gz FOFWXYKOGWUYIU-WDNDVIMCSA-N 1 1 305.378 3.081 20 5 DGBDMO C[N@@H+]1CCO[C@H](COc2cccc3ccc4cccnc4c32)C1 ZINC001227763892 1096983970 /nfs/dbraw/zinc/98/39/70/1096983970.db2.gz HTYJPVODHFTJAZ-INIZCTEOSA-N 1 1 308.381 3.097 20 5 DGBDMO C[N@H+]1CCO[C@H](COc2cccc3ccc4cccnc4c32)C1 ZINC001227763892 1096983978 /nfs/dbraw/zinc/98/39/78/1096983978.db2.gz HTYJPVODHFTJAZ-INIZCTEOSA-N 1 1 308.381 3.097 20 5 DGBDMO C[N@H+]1CCC[C@@H](Oc2ccc3c(c2)oc2ccccc2c3=O)C1 ZINC001228179546 1097068577 /nfs/dbraw/zinc/06/85/77/1097068577.db2.gz IRVQHDIFMHDLFG-CQSZACIVSA-N 1 1 309.365 3.419 20 5 DGBDMO O=[N+]([O-])c1ccncc1O[C@@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC001228879076 1097209477 /nfs/dbraw/zinc/20/94/77/1097209477.db2.gz BNHPAYSQUQFFRW-OAHLLOKOSA-N 1 1 313.357 3.033 20 5 DGBDMO C[N@@H+]1[C@@H]2CC[C@H]1C[C@H](Oc1nccc3ccc([N+](=O)[O-])cc31)C2 ZINC001229006343 1097235101 /nfs/dbraw/zinc/23/51/01/1097235101.db2.gz XPNRZJMVUOHFGD-AGGWBTHJSA-N 1 1 313.357 3.147 20 5 DGBDMO CN(C)CC(C)(C)C[NH2+][C@@H]1CCc2ccc([N+](=O)[O-])cc2CC1 ZINC001172901615 1097268091 /nfs/dbraw/zinc/26/80/91/1097268091.db2.gz OZEBZOSWOVSDGI-MRXNPFEDSA-N 1 1 319.449 3.020 20 5 DGBDMO CC1(C)C[N@H+]([C@H]2CCc3ccc([N+](=O)[O-])cc3CC2)CCC1=O ZINC001172912458 1097277220 /nfs/dbraw/zinc/27/72/20/1097277220.db2.gz ARISYSNVWPAVAH-HNNXBMFYSA-N 1 1 316.401 3.143 20 5 DGBDMO CC1(C)[C@@H]2C[N@@H+]([C@H]3CCc4ccc([N+](=O)[O-])cc4CC3)C[C@@H]21 ZINC001172914171 1097279472 /nfs/dbraw/zinc/27/94/72/1097279472.db2.gz DLAYHZKTAXERJG-BHYGNILZSA-N 1 1 300.402 3.430 20 5 DGBDMO CCO[C@H]1CCC[N@H+]([C@@H]2CCc3ccc([N+](=O)[O-])cc3CC2)C1 ZINC001172917839 1097280233 /nfs/dbraw/zinc/28/02/33/1097280233.db2.gz XKNZPABZWJJTQP-AEFFLSMTSA-N 1 1 318.417 3.343 20 5 DGBDMO COc1ccc([N+](=O)[O-])c(C[C@H](C)[N@H+]2CCCC23CC3)c1F ZINC001173186831 1097357722 /nfs/dbraw/zinc/35/77/22/1097357722.db2.gz VNXFSGGRXKEQDO-NSHDSACASA-N 1 1 308.353 3.302 20 5 DGBDMO COc1ccc([N+](=O)[O-])c(C[C@H](C)[N@@H+]2C[C@@H]3[C@H](C2)C3(C)C)c1F ZINC001173195683 1097358528 /nfs/dbraw/zinc/35/85/28/1097358528.db2.gz IQGKWBKKKGMUCB-WCFLWFBJSA-N 1 1 322.380 3.261 20 5 DGBDMO COc1ccc([N+](=O)[O-])c(C[C@@H](C)[N@H+]2C[C@H]3CC[C@@H]2C3)c1F ZINC001173197347 1097359480 /nfs/dbraw/zinc/35/94/80/1097359480.db2.gz UHYGOYKXUYTVEV-GRYCIOLGSA-N 1 1 308.353 3.158 20 5 DGBDMO CCC[NH+](CCC)CCN[C@@H](C)Cc1ccc([N+](=O)[O-])cc1 ZINC001173215329 1097366881 /nfs/dbraw/zinc/36/68/81/1097366881.db2.gz VASSJZBKBUZSSI-HNNXBMFYSA-N 1 1 307.438 3.237 20 5 DGBDMO C[C@@H](Cc1ccc([N+](=O)[O-])cc1)[N@H+]1CC[C@@]2(C1)CCCCO2 ZINC001173221684 1097371927 /nfs/dbraw/zinc/37/19/27/1097371927.db2.gz LGYRWFYXXRPWFI-WMLDXEAASA-N 1 1 304.390 3.171 20 5 DGBDMO 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ZINC001254599463 1106110718 /nfs/dbraw/zinc/11/07/18/1106110718.db2.gz LTQRHEKHNTYCSC-QAPCUYQASA-N 1 1 323.396 3.337 20 5 DGBDMO CC[N@@H+](C(C)C)C1CCN(c2ccc([N+](=O)[O-])c(OC)c2)CC1 ZINC001256094578 1106368301 /nfs/dbraw/zinc/36/83/01/1106368301.db2.gz LWBHKNSYGJSUGL-UHFFFAOYSA-N 1 1 321.421 3.303 20 5 DGBDMO CCCC[N@@H+](C)C1CCN(c2ccc([N+](=O)[O-])c(OC)c2)CC1 ZINC001256094997 1106368624 /nfs/dbraw/zinc/36/86/24/1106368624.db2.gz UJNUPWJXSLUZSM-UHFFFAOYSA-N 1 1 321.421 3.304 20 5 DGBDMO C/C(=C\c1cccc([N+](=O)[O-])c1)CN1CCC[N@H+]2CCC[C@@H]2C1 ZINC001320951094 1107200463 /nfs/dbraw/zinc/20/04/63/1107200463.db2.gz JICMHJXCRHSUIF-HAZIXKIPSA-N 1 1 315.417 3.168 20 5 DGBDMO C/C(=C/c1cccc([N+](=O)[O-])c1)CN1CCC[N@H+]2CCC[C@@H]2C1 ZINC001320951103 1107200707 /nfs/dbraw/zinc/20/07/07/1107200707.db2.gz JICMHJXCRHSUIF-VHUCWBOISA-N 1 1 315.417 3.168 20 5 DGBDMO O=[N+]([O-])c1ccccc1OCC[N@H+]1CC[C@H]2CCCC[C@H]2C1 ZINC001321751961 1107425509 /nfs/dbraw/zinc/42/55/09/1107425509.db2.gz MWMYPYYJPREAGH-CABCVRRESA-N 1 1 304.390 3.486 20 5 DGBDMO Cc1ccccc1OCC[N@@H+]1CCc2ccc([N+](=O)[O-])cc2C1 ZINC001319125794 1108323295 /nfs/dbraw/zinc/32/32/95/1108323295.db2.gz AKGYSCPDXWEFRT-UHFFFAOYSA-N 1 1 312.369 3.340 20 5 DGBDMO Cc1ccccc1OCC[N@H+]1CCc2ccc([N+](=O)[O-])cc2C1 ZINC001319125794 1108323310 /nfs/dbraw/zinc/32/33/10/1108323310.db2.gz AKGYSCPDXWEFRT-UHFFFAOYSA-N 1 1 312.369 3.340 20 5 DGBDMO CCC[N@@H+](CC)CCNc1ccc2cnccc2c1[N+](=O)[O-] ZINC001306985962 1111257928 /nfs/dbraw/zinc/25/79/28/1111257928.db2.gz CAFKDCXYFRYBMB-UHFFFAOYSA-N 1 1 302.378 3.287 20 5 DGBDMO CC(C)C[C@H]1CCC[N@H+]1CCC(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC001307449488 1111300981 /nfs/dbraw/zinc/30/09/81/1111300981.db2.gz DLHHABVJTAYLQM-MRXNPFEDSA-N 1 1 319.405 3.434 20 5 DGBDMO CC(C)C[C@@H]1CCC[N@H+]1CCC(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC001307449487 1111301267 /nfs/dbraw/zinc/30/12/67/1111301267.db2.gz DLHHABVJTAYLQM-INIZCTEOSA-N 1 1 319.405 3.434 20 5 DGBDMO CC[C@H](C(=O)OC(C)(C)C)[N@H+](C)CCc1ccc([N+](=O)[O-])cc1 ZINC001307893692 1111351906 /nfs/dbraw/zinc/35/19/06/1111351906.db2.gz VCCYTBDSWQXLTK-OAHLLOKOSA-N 1 1 322.405 3.189 20 5 DGBDMO CC[C@H](C(=O)OC(C)(C)C)[N@@H+](C)CCc1ccc([N+](=O)[O-])cc1 ZINC001307893692 1111351909 /nfs/dbraw/zinc/35/19/09/1111351909.db2.gz VCCYTBDSWQXLTK-OAHLLOKOSA-N 1 1 322.405 3.189 20 5 DGBDMO Cc1ccccc1[C@@H](CO)[N@@H+](C)CCc1ccc([N+](=O)[O-])cc1 ZINC001308078098 1111374170 /nfs/dbraw/zinc/37/41/70/1111374170.db2.gz JKZYBNZXTARZGM-GOSISDBHSA-N 1 1 314.385 3.111 20 5 DGBDMO CCC[C@H]1CCC[N@H+]1CCC(=O)Nc1ccccc1[N+](=O)[O-] ZINC001308132833 1111382030 /nfs/dbraw/zinc/38/20/30/1111382030.db2.gz BNDKLXCKAKXCTJ-ZDUSSCGKSA-N 1 1 305.378 3.188 20 5 DGBDMO O=[N+]([O-])c1ccc(OCC[N@H+]2CCCC[C@@]23CCCOC3)cc1 ZINC001308170813 1111390142 /nfs/dbraw/zinc/39/01/42/1111390142.db2.gz NNPLOVRTNYWNJU-KRWDZBQOSA-N 1 1 320.389 3.009 20 5 DGBDMO CC[N@@H+](C)[C@@H]1CCN(C/C(C)=C/c2cccc([N+](=O)[O-])c2)C1 ZINC001308986799 1111506306 /nfs/dbraw/zinc/50/63/06/1111506306.db2.gz IHHPXRUBUYHZBB-IDKBZEPQSA-N 1 1 303.406 3.024 20 5 DGBDMO C[C@H]1CCC[N@@H+](Cc2nnc(-c3ccc([N+](=O)[O-])cc3)o2)CC1 ZINC000063309191 432004819 /nfs/dbraw/zinc/00/48/19/432004819.db2.gz OISBOVOVTCCQMX-LBPRGKRZSA-N 1 1 316.361 3.267 20 5 DGBDMO COc1cc(C[N@@H+](C)C(C2CC2)C2CC2)c([N+](=O)[O-])cc1OC ZINC000092704040 185334279 /nfs/dbraw/zinc/33/42/79/185334279.db2.gz VOCMNTSXGVTDFH-UHFFFAOYSA-N 1 1 320.389 3.232 20 5 DGBDMO C[N@@H+](CCOc1cccc([N+](=O)[O-])c1)Cc1cc(F)cc(F)c1 ZINC000444717394 529926321 /nfs/dbraw/zinc/92/63/21/529926321.db2.gz RYNIWWMDWRBSLH-UHFFFAOYSA-N 1 1 322.311 3.384 20 5 DGBDMO Cc1c(NC(=O)CC[N@@H+]2[C@H](C)CCC[C@@H]2C)cccc1[N+](=O)[O-] ZINC000104078526 432014141 /nfs/dbraw/zinc/01/41/41/432014141.db2.gz RDBMQGDDNVPSHI-BETUJISGSA-N 1 1 319.405 3.495 20 5 DGBDMO C[C@@H]1CCC[C@H](C)[N@@H+]1Cc1cc([N+](=O)[O-])cc2c1OCOC2 ZINC000066532545 432017024 /nfs/dbraw/zinc/01/70/24/432017024.db2.gz PKJGFOKXVZOOFX-TXEJJXNPSA-N 1 1 306.362 3.224 20 5 DGBDMO Cc1cccc([N+](=O)[O-])c1NC(=O)C[NH+]1[C@@H](C)CCC[C@@H]1C ZINC000066531876 432017174 /nfs/dbraw/zinc/01/71/74/432017174.db2.gz AXWCXAJSKRAJKM-STQMWFEESA-N 1 1 305.378 3.105 20 5 DGBDMO COc1ccc(C[N@H+](C)Cc2scnc2C)cc1[N+](=O)[O-] ZINC000066565261 432018663 /nfs/dbraw/zinc/01/86/63/432018663.db2.gz DJEZXYRHPIIYIG-UHFFFAOYSA-N 1 1 307.375 3.000 20 5 DGBDMO COc1ccc(C[N@@H+](C)Cc2scnc2C)cc1[N+](=O)[O-] ZINC000066565261 432018665 /nfs/dbraw/zinc/01/86/65/432018665.db2.gz DJEZXYRHPIIYIG-UHFFFAOYSA-N 1 1 307.375 3.000 20 5 DGBDMO CO[C@@H]1CCC[N@@H+](Cc2ccc(-c3ccc([N+](=O)[O-])cc3)o2)C1 ZINC000130261735 432019529 /nfs/dbraw/zinc/01/95/29/432019529.db2.gz CVWCOMFBZONSCL-OAHLLOKOSA-N 1 1 316.357 3.466 20 5 DGBDMO Cn1ccnc1[C@H]([NH2+][C@H]1CCC1(C)C)c1ccc([N+](=O)[O-])cc1 ZINC000287015627 219270576 /nfs/dbraw/zinc/27/05/76/219270576.db2.gz KVTLJOCBVISGRI-LSDHHAIUSA-N 1 1 314.389 3.196 20 5 DGBDMO CCOc1cc(C[N@H+]2CCCC[C@H]2C[C@@H](C)O)ccc1[N+](=O)[O-] ZINC000279959753 215272396 /nfs/dbraw/zinc/27/23/96/215272396.db2.gz YHRYVGDFHCBNJF-HIFRSBDPSA-N 1 1 322.405 3.119 20 5 DGBDMO O=[N+]([O-])c1ccc(Cl)c(C[N@@H+](C[C@H]2CCOC2)C2CC2)c1 ZINC000172175679 198052738 /nfs/dbraw/zinc/05/27/38/198052738.db2.gz BKSPPIDISMSVKV-LLVKDONJSA-N 1 1 310.781 3.249 20 5 DGBDMO CCOC[C@H]1CCC[N@@H+](Cc2cc([N+](=O)[O-])ccc2Cl)C1 ZINC000172180694 198054043 /nfs/dbraw/zinc/05/40/43/198054043.db2.gz SWLPXZVMTITTQI-LBPRGKRZSA-N 1 1 312.797 3.497 20 5 DGBDMO COc1ccc([N+](=O)[O-])cc1C[NH2+][C@@H](C)c1ccccc1OC ZINC000172623628 198126295 /nfs/dbraw/zinc/12/62/95/198126295.db2.gz ZMEAMQACZZIXEO-LBPRGKRZSA-N 1 1 316.357 3.463 20 5 DGBDMO CCC[C@@H]1[C@H](C)CCC[N@H+]1Cc1ccc(C(N)=O)cc1[N+](=O)[O-] ZINC000072775177 191227633 /nfs/dbraw/zinc/22/76/33/191227633.db2.gz AFPAXHRSSCEARP-IUODEOHRSA-N 1 1 319.405 3.094 20 5 DGBDMO CC(C)Oc1ccc([N+](=O)[O-])cc1C[N@@H+](C)C[C@H]1CCCOC1 ZINC000107695602 432036377 /nfs/dbraw/zinc/03/63/77/432036377.db2.gz QKRABXCEZYDUIF-CQSZACIVSA-N 1 1 322.405 3.240 20 5 DGBDMO Cc1c([C@H](C)N[C@@H]2C[C@H](C)[N@@H+](C3CC3)C2)cccc1[N+](=O)[O-] ZINC000166281386 432059312 /nfs/dbraw/zinc/05/93/12/432059312.db2.gz ZHINZWBZWUOYPJ-FPMFFAJLSA-N 1 1 303.406 3.179 20 5 DGBDMO Cc1c([C@H](C)N[C@@H]2C[C@H](C)[N@H+](C3CC3)C2)cccc1[N+](=O)[O-] ZINC000166281386 432059314 /nfs/dbraw/zinc/05/93/14/432059314.db2.gz ZHINZWBZWUOYPJ-FPMFFAJLSA-N 1 1 303.406 3.179 20 5 DGBDMO CCC[C@@H](NC[C@@H](C1CC1)[NH+](C)C)c1cccc([N+](=O)[O-])c1 ZINC000166271038 432059965 /nfs/dbraw/zinc/05/99/65/432059965.db2.gz LGDHWFDOKRFMSL-SJORKVTESA-N 1 1 305.422 3.366 20 5 DGBDMO CCOc1cc(C[NH2+][C@@H](C)c2ccccn2)ccc1[N+](=O)[O-] ZINC000276920527 213176663 /nfs/dbraw/zinc/17/66/63/213176663.db2.gz OYKDSQUSYOVURD-LBPRGKRZSA-N 1 1 301.346 3.239 20 5 DGBDMO CCOc1cc(C[N@H+]2CCC[C@@]2(C)CCCO)ccc1[N+](=O)[O-] ZINC000276870633 213146110 /nfs/dbraw/zinc/14/61/10/213146110.db2.gz HOYMNOKELFWYHV-KRWDZBQOSA-N 1 1 322.405 3.121 20 5 DGBDMO O=[N+]([O-])c1ccccc1OCC[N@@H+]1CCc2ccc(F)cc2C1 ZINC000134007993 432072937 /nfs/dbraw/zinc/07/29/37/432072937.db2.gz AMVIRUYFVXSIPO-UHFFFAOYSA-N 1 1 316.332 3.171 20 5 DGBDMO O=[N+]([O-])c1ccccc1OCC[N@H+]1CCc2ccc(F)cc2C1 ZINC000134007993 432072939 /nfs/dbraw/zinc/07/29/39/432072939.db2.gz AMVIRUYFVXSIPO-UHFFFAOYSA-N 1 1 316.332 3.171 20 5 DGBDMO O=[N+]([O-])c1cccc(C[N@H+](Cc2cnn3ccccc23)C2CC2)c1 ZINC000179318286 199014828 /nfs/dbraw/zinc/01/48/28/199014828.db2.gz KWRZRRRTKOPKSU-UHFFFAOYSA-N 1 1 322.368 3.407 20 5 DGBDMO O=[N+]([O-])c1cccc(C[N@@H+](Cc2cnn3ccccc23)C2CC2)c1 ZINC000179318286 199014830 /nfs/dbraw/zinc/01/48/30/199014830.db2.gz KWRZRRRTKOPKSU-UHFFFAOYSA-N 1 1 322.368 3.407 20 5 DGBDMO C[C@@H](Nc1nc2ccccc2cc1[N+](=O)[O-])C1=CC[N@@H+](C)CC1 ZINC000276648777 213022215 /nfs/dbraw/zinc/02/22/15/213022215.db2.gz QLDDQMSXEKECMF-GFCCVEGCSA-N 1 1 312.373 3.205 20 5 DGBDMO O=[N+]([O-])c1cccc(-c2ccc(C[N@@H+]3CCC[C@@H]3CCO)o2)c1 ZINC000428472708 238022650 /nfs/dbraw/zinc/02/26/50/238022650.db2.gz JGOXMHOBDKCUCV-CQSZACIVSA-N 1 1 316.357 3.202 20 5 DGBDMO C[C@H](c1cccc([N+](=O)[O-])c1)N1CC[N@H+]([C@H]2C[C@H]2C)C[C@H](C)C1 ZINC000429014867 238038473 /nfs/dbraw/zinc/03/84/73/238038473.db2.gz ZNLCVQBYHIQKOP-ADAWSYLGSA-N 1 1 317.433 3.318 20 5 DGBDMO COCC[C@@H]([NH2+]Cc1ccc([N+](=O)[O-])cc1OC)c1ccco1 ZINC000430215200 238071308 /nfs/dbraw/zinc/07/13/08/238071308.db2.gz DPZGMIUKYIHNIE-CQSZACIVSA-N 1 1 320.345 3.064 20 5 DGBDMO C[C@@]1(CCCO)CCC[N@H+]1Cc1ccc(Cl)c([N+](=O)[O-])c1 ZINC000272027886 209397663 /nfs/dbraw/zinc/39/76/63/209397663.db2.gz OEMHAGCJZVJXBD-HNNXBMFYSA-N 1 1 312.797 3.375 20 5 DGBDMO C=Cn1cc(C[N@H+](Cc2ccc([N+](=O)[O-])cc2)C(C)C)cn1 ZINC000193702631 201107602 /nfs/dbraw/zinc/10/76/02/201107602.db2.gz YMJYXLFDAKXDFA-UHFFFAOYSA-N 1 1 300.362 3.302 20 5 DGBDMO C=Cn1cc(C[N@@H+](Cc2ccc([N+](=O)[O-])cc2)C(C)C)cn1 ZINC000193702631 201107607 /nfs/dbraw/zinc/10/76/07/201107607.db2.gz YMJYXLFDAKXDFA-UHFFFAOYSA-N 1 1 300.362 3.302 20 5 DGBDMO COc1ccc(OCC[N@H+]2CCC[C@H]2C(C)C)c([N+](=O)[O-])c1 ZINC000441226857 239022242 /nfs/dbraw/zinc/02/22/42/239022242.db2.gz GQYDLSCWRIWLFC-AWEZNQCLSA-N 1 1 308.378 3.103 20 5 DGBDMO O=[N+]([O-])c1ccc(OCC[N@@H+]2CCOC3(CCCCC3)C2)cc1 ZINC000441436470 239049912 /nfs/dbraw/zinc/04/99/12/239049912.db2.gz OFZLXKGNLHPCIA-UHFFFAOYSA-N 1 1 320.389 3.009 20 5 DGBDMO O=[N+]([O-])c1ccc(OCC[N@H+]2CCOC3(CCCCC3)C2)cc1 ZINC000441436470 239049917 /nfs/dbraw/zinc/04/99/17/239049917.db2.gz OFZLXKGNLHPCIA-UHFFFAOYSA-N 1 1 320.389 3.009 20 5 DGBDMO O=[N+]([O-])c1ccccc1C[NH2+][C@H](c1cncc(F)c1)C1CC1 ZINC000281569904 216390875 /nfs/dbraw/zinc/39/08/75/216390875.db2.gz KKWIZAYCCRIYOO-INIZCTEOSA-N 1 1 301.321 3.370 20 5 DGBDMO O=[N+]([O-])c1ccc2[nH]c(C[N@@H+]3C[C@@H]4CCCC[C@@H]4C3)nc2c1 ZINC000444649442 239314027 /nfs/dbraw/zinc/31/40/27/239314027.db2.gz JLUOHZCYJPNHPK-TXEJJXNPSA-N 1 1 300.362 3.093 20 5 DGBDMO C[C@H]1CCC[C@@H]([N@@H+](C)Cc2nc3cc([N+](=O)[O-])ccc3[nH]2)C1 ZINC000444590688 239302238 /nfs/dbraw/zinc/30/22/38/239302238.db2.gz MFYDDNITOHUQEU-NWDGAFQWSA-N 1 1 302.378 3.482 20 5 DGBDMO Cc1cc([N+](=O)[O-])cc(Cl)c1N[C@H]1CCn2cc[nH+]c2C1 ZINC000444830574 239363275 /nfs/dbraw/zinc/36/32/75/239363275.db2.gz UIMJBXVQJMWWST-JTQLQIEISA-N 1 1 306.753 3.180 20 5 DGBDMO O=[N+]([O-])c1ccc([C@H]2CCC[N@@H+](CC3CCOCC3)C2)cc1 ZINC000449495411 240245552 /nfs/dbraw/zinc/24/55/52/240245552.db2.gz DBRILWLTKVCHHB-INIZCTEOSA-N 1 1 304.390 3.201 20 5 DGBDMO C[N@@H+](C/C=C\c1ccccc1[N+](=O)[O-])[C@@H](CO)CC(C)(C)C ZINC000449581838 240303983 /nfs/dbraw/zinc/30/39/83/240303983.db2.gz CETNNYDBRFCAAS-SOIVGHGOSA-N 1 1 306.406 3.337 20 5 DGBDMO O=[N+]([O-])c1ccc([C@H]2CCC[N@H+](Cc3cscn3)C2)cc1 ZINC000449506624 240255741 /nfs/dbraw/zinc/25/57/41/240255741.db2.gz ZFIRMIGEMUMWCH-ZDUSSCGKSA-N 1 1 303.387 3.431 20 5 DGBDMO O=[N+]([O-])c1ccc([C@H]2CCC[N@@H+](Cc3cscn3)C2)cc1 ZINC000449506624 240255747 /nfs/dbraw/zinc/25/57/47/240255747.db2.gz ZFIRMIGEMUMWCH-ZDUSSCGKSA-N 1 1 303.387 3.431 20 5 DGBDMO CO[C@@H]1C[C@@H]([N@@H+](C)Cc2ccc([N+](=O)[O-])cc2F)C12CCC2 ZINC000449631315 240333215 /nfs/dbraw/zinc/33/32/15/240333215.db2.gz KHHGQSBKKVKSAN-HUUCEWRRSA-N 1 1 308.353 3.123 20 5 DGBDMO O=[N+]([O-])c1ccc([C@@H]2CCC[N@@H+](CC[C@@H]3CCCO3)C2)cc1 ZINC000451544411 241163609 /nfs/dbraw/zinc/16/36/09/241163609.db2.gz FFRUPPDNNBQICH-WBVHZDCISA-N 1 1 304.390 3.343 20 5 DGBDMO C[C@@H]1CC[C@@H](C[N@H+]2CCC[C@H](c3ccc([N+](=O)[O-])cc3)C2)O1 ZINC000451554145 241171727 /nfs/dbraw/zinc/17/17/27/241171727.db2.gz ZJMKPBKHCFCSHV-KMFMINBZSA-N 1 1 304.390 3.342 20 5 DGBDMO O=[N+]([O-])c1cccc(F)c1C[N@H+]1CCC[C@]2(CCSC2)C1 ZINC000451958945 241282274 /nfs/dbraw/zinc/28/22/74/241282274.db2.gz IAWHPCHJBORBPC-HNNXBMFYSA-N 1 1 310.394 3.453 20 5 DGBDMO Cc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@H+]1[C@@H](C)CCC1(C)C ZINC000452000435 241294249 /nfs/dbraw/zinc/29/42/49/241294249.db2.gz BRZBBIZJVGLJBC-ZDUSSCGKSA-N 1 1 319.405 3.495 20 5 DGBDMO CC(C)([NH2+]Cc1cnc(C2CC2)nc1)c1ccccc1[N+](=O)[O-] ZINC000459566938 243416688 /nfs/dbraw/zinc/41/66/88/243416688.db2.gz ZLLZCMKIMCZHRN-UHFFFAOYSA-N 1 1 312.373 3.287 20 5 DGBDMO CC[C@@H]1C[N@@H+](C/C(C)=C/c2cccc([N+](=O)[O-])c2)CCCO1 ZINC000467558491 244001124 /nfs/dbraw/zinc/00/11/24/244001124.db2.gz BPDWZCWRZRFQPY-IDKBZEPQSA-N 1 1 304.390 3.499 20 5 DGBDMO CC[C@@H]1C[N@H+](C/C(C)=C\c2cccc([N+](=O)[O-])c2)C[C@@H](C)O1 ZINC000470179935 244156477 /nfs/dbraw/zinc/15/64/77/244156477.db2.gz FOJWMYSWUUXDNG-FLVFFKGFSA-N 1 1 304.390 3.497 20 5 DGBDMO CC[C@@H]1C[N@@H+](C/C(C)=C\c2cccc([N+](=O)[O-])c2)C[C@@H](C)O1 ZINC000470179935 244156484 /nfs/dbraw/zinc/15/64/84/244156484.db2.gz FOJWMYSWUUXDNG-FLVFFKGFSA-N 1 1 304.390 3.497 20 5 DGBDMO Cc1ccc(C[N@H+](C)[C@@H](CCO)c2ccccc2)cc1[N+](=O)[O-] ZINC000093442474 193253426 /nfs/dbraw/zinc/25/34/26/193253426.db2.gz NZQHZFSMLZCITA-KRWDZBQOSA-N 1 1 314.385 3.459 20 5 DGBDMO C[C@H](O)CC[N@@H+](C)Cc1ccc(-c2ccccc2[N+](=O)[O-])o1 ZINC000093481435 193258363 /nfs/dbraw/zinc/25/83/63/193258363.db2.gz CECOGTKCUSQFLZ-LBPRGKRZSA-N 1 1 304.346 3.058 20 5 DGBDMO CC[C@H]1COCC[N@@H+]1Cc1ccc(-c2ccc([N+](=O)[O-])cc2)o1 ZINC000120420898 284169123 /nfs/dbraw/zinc/16/91/23/284169123.db2.gz PFHDNJIZRBGTCR-AWEZNQCLSA-N 1 1 316.357 3.466 20 5 DGBDMO CC[C@H]1COCC[N@H+]1Cc1ccc(-c2ccc([N+](=O)[O-])cc2)o1 ZINC000120420898 284169127 /nfs/dbraw/zinc/16/91/27/284169127.db2.gz PFHDNJIZRBGTCR-AWEZNQCLSA-N 1 1 316.357 3.466 20 5 DGBDMO COCC[N@@H+](CCOc1ccccc1[N+](=O)[O-])[C@H]1CCC[C@H]1C ZINC000488070308 245142518 /nfs/dbraw/zinc/14/25/18/245142518.db2.gz GCKPPHRFHKJFHW-CABCVRRESA-N 1 1 322.405 3.111 20 5 DGBDMO Cc1cccc([N+](=O)[O-])c1NC(=O)C[N@H+]1C[C@@H](C)CCC[C@@H]1C ZINC000125398689 284275271 /nfs/dbraw/zinc/27/52/71/284275271.db2.gz KOBUKJONWPENAK-JSGCOSHPSA-N 1 1 319.405 3.352 20 5 DGBDMO C[C@H]1[C@H](Nc2ncc([N+](=O)[O-])s2)CC[N@H+]1Cc1ccccc1 ZINC000288225974 220029375 /nfs/dbraw/zinc/02/93/75/220029375.db2.gz NEAFHKUQKXKFAX-WCQYABFASA-N 1 1 318.402 3.126 20 5 DGBDMO Cc1cc(C2CC[NH+](Cc3ccccc3[N+](=O)[O-])CC2)n[nH]1 ZINC000271678527 209119158 /nfs/dbraw/zinc/11/91/58/209119158.db2.gz YOQRDGSWDMNOCT-UHFFFAOYSA-N 1 1 300.362 3.006 20 5 DGBDMO C[C@H](c1ccco1)[N@@H+](C)CCC(=O)Nc1ccccc1[N+](=O)[O-] ZINC000282823371 217275192 /nfs/dbraw/zinc/27/51/92/217275192.db2.gz YSQZETIAHQBMKP-GFCCVEGCSA-N 1 1 317.345 3.209 20 5 DGBDMO CC[C@]1(CO)CCC[N@@H+](C/C=C/c2ccccc2[N+](=O)[O-])C1 ZINC000190216722 432134063 /nfs/dbraw/zinc/13/40/63/432134063.db2.gz WUNCEYOPVKRTQJ-JZLODUJNSA-N 1 1 304.390 3.093 20 5 DGBDMO C[C@@H]1CC[C@](CO)([N@H+](C)Cc2c(Cl)cccc2[N+](=O)[O-])C1 ZINC000495243454 246250762 /nfs/dbraw/zinc/25/07/62/246250762.db2.gz YAFUUQARGXBMIX-ABAIWWIYSA-N 1 1 312.797 3.231 20 5 DGBDMO C[C@@H]1CC[C@](CO)([N@@H+](C)Cc2c(Cl)cccc2[N+](=O)[O-])C1 ZINC000495243454 246250766 /nfs/dbraw/zinc/25/07/66/246250766.db2.gz YAFUUQARGXBMIX-ABAIWWIYSA-N 1 1 312.797 3.231 20 5 DGBDMO C[C@H]1CC[C@](CO)([N@H+](C)Cc2c(Cl)cccc2[N+](=O)[O-])C1 ZINC000495243456 246251001 /nfs/dbraw/zinc/25/10/01/246251001.db2.gz YAFUUQARGXBMIX-NHYWBVRUSA-N 1 1 312.797 3.231 20 5 DGBDMO C[C@H]1CC[C@](CO)([N@@H+](C)Cc2c(Cl)cccc2[N+](=O)[O-])C1 ZINC000495243456 246251007 /nfs/dbraw/zinc/25/10/07/246251007.db2.gz YAFUUQARGXBMIX-NHYWBVRUSA-N 1 1 312.797 3.231 20 5 DGBDMO O=[N+]([O-])c1ccc(Cl)c(C[N@@H+]2CCC[C@@H]2[C@@H]2CCCO2)c1 ZINC000284695775 218137507 /nfs/dbraw/zinc/13/75/07/218137507.db2.gz IFAPBQVEDKZTHQ-CABCVRRESA-N 1 1 310.781 3.392 20 5 DGBDMO O=[N+]([O-])c1ccc(Cl)c(C[N@H+]2CCC[C@@H]2[C@@H]2CCCO2)c1 ZINC000284695775 218137508 /nfs/dbraw/zinc/13/75/08/218137508.db2.gz IFAPBQVEDKZTHQ-CABCVRRESA-N 1 1 310.781 3.392 20 5 DGBDMO CCOc1cc(C[N@H+]2CCC[C@H]2[C@H]2CCCO2)ccc1[N+](=O)[O-] ZINC000284857645 218210540 /nfs/dbraw/zinc/21/05/40/218210540.db2.gz RWYPHJWABSBZEC-GOEBONIOSA-N 1 1 320.389 3.137 20 5 DGBDMO C[C@H](c1cccc(O)c1)[N@@H+](C)CCOc1ccccc1[N+](=O)[O-] ZINC000109782224 194286083 /nfs/dbraw/zinc/28/60/83/194286083.db2.gz KHOZKZQHKGVFST-CYBMUJFWSA-N 1 1 316.357 3.372 20 5 DGBDMO Cc1c(C[N@@H+](Cc2ccc([N+](=O)[O-])cc2)C(C)C)cnn1C ZINC000268904858 207074028 /nfs/dbraw/zinc/07/40/28/207074028.db2.gz MCAJXTGLUWOBPL-UHFFFAOYSA-N 1 1 302.378 3.047 20 5 DGBDMO COc1ccc(OCC[N@@H+](C)C2CCC(C)CC2)c([N+](=O)[O-])c1 ZINC000441180165 533013437 /nfs/dbraw/zinc/01/34/37/533013437.db2.gz MHDKRWOSZGFUPP-UHFFFAOYSA-N 1 1 322.405 3.493 20 5 DGBDMO Cc1ccc(C[N@@H+](C)Cc2ccc3c(c2)OCO3)cc1[N+](=O)[O-] ZINC000120053523 195088937 /nfs/dbraw/zinc/08/89/37/195088937.db2.gz YKBLAQJMKCNPBW-UHFFFAOYSA-N 1 1 314.341 3.264 20 5 DGBDMO C[C@H]1C[C@]1([NH2+]Cc1c([N+](=O)[O-])ncn1C)c1ccc(Cl)cc1 ZINC000337499263 253127682 /nfs/dbraw/zinc/12/76/82/253127682.db2.gz ULUIGTAISZRLKW-ZUZCIYMTSA-N 1 1 320.780 3.007 20 5 DGBDMO C[N@@H+](CCc1cccc([N+](=O)[O-])c1)Cc1cccc2c[nH]nc21 ZINC000338956482 253378612 /nfs/dbraw/zinc/37/86/12/253378612.db2.gz UMFCROZTEBOWTQ-UHFFFAOYSA-N 1 1 310.357 3.146 20 5 DGBDMO CC[N@H+](Cc1cc([N+](=O)[O-])ccc1C(F)(F)F)C[C@@H](C)OC ZINC000339208533 253427912 /nfs/dbraw/zinc/42/79/12/253427912.db2.gz KFNXDIQNHJGPMU-SNVBAGLBSA-N 1 1 320.311 3.470 20 5 DGBDMO O=[N+]([O-])c1cccc(Cl)c1C[N@@H+]1CCC[C@@H]1[C@@H]1CCC[C@@H]1O ZINC000336860278 285153250 /nfs/dbraw/zinc/15/32/50/285153250.db2.gz PKHFOFZJNCERQB-PEYYIBSZSA-N 1 1 324.808 3.374 20 5 DGBDMO C[C@@H]([NH2+]CCc1ccc2cn[nH]c2c1)c1cccc([N+](=O)[O-])c1 ZINC000342825794 254059658 /nfs/dbraw/zinc/05/96/58/254059658.db2.gz LYQNJOGZUHPFNN-GFCCVEGCSA-N 1 1 310.357 3.364 20 5 DGBDMO CC(C)[C@H]1CC[N@H+]1Cc1cn(C)nc1-c1ccc([N+](=O)[O-])cc1 ZINC000342862370 254067442 /nfs/dbraw/zinc/06/74/42/254067442.db2.gz SIRSUCABPOOONE-MRXNPFEDSA-N 1 1 314.389 3.226 20 5 DGBDMO C[C@H](C(=O)Nc1ccc([N+](=O)[O-])cc1)[N@@H+](C)C[C@@H]1CC=CCC1 ZINC000344054591 254218971 /nfs/dbraw/zinc/21/89/71/254218971.db2.gz JGQYTADDWSYSKP-ZIAGYGMSSA-N 1 1 317.389 3.210 20 5 DGBDMO CC[C@]1(C)CC[N@H+]([C@@H](C)C(=O)Nc2ccc([N+](=O)[O-])cc2)C1 ZINC000344230256 254242440 /nfs/dbraw/zinc/24/24/40/254242440.db2.gz JDEHVMSQEPIFQD-BLLLJJGKSA-N 1 1 305.378 3.044 20 5 DGBDMO COCCC[N@@H+](C)Cc1ccc(-c2cccc([N+](=O)[O-])c2)o1 ZINC000120452284 195170174 /nfs/dbraw/zinc/17/01/74/195170174.db2.gz YITHKOBSFQTTKB-UHFFFAOYSA-N 1 1 304.346 3.323 20 5 DGBDMO O=[N+]([O-])c1ccc(C[N@@H+]2CC3(CCC3)[C@H]2[C@@H]2CCCO2)cc1F ZINC000289460255 220990597 /nfs/dbraw/zinc/99/05/97/220990597.db2.gz GLMDXCDEZSNLKR-JKSUJKDBSA-N 1 1 320.364 3.267 20 5 DGBDMO O=[N+]([O-])c1ccc(C[N@H+]2CC3(CCC3)[C@H]2[C@@H]2CCCO2)cc1F ZINC000289460255 220990598 /nfs/dbraw/zinc/99/05/98/220990598.db2.gz GLMDXCDEZSNLKR-JKSUJKDBSA-N 1 1 320.364 3.267 20 5 DGBDMO O=[N+]([O-])c1cccc(C[N@@H+]2CC3(CCC3)[C@@H]2[C@H]2CCCO2)c1 ZINC000289749662 221200201 /nfs/dbraw/zinc/20/02/01/221200201.db2.gz YPDJWBPINSRAPN-CVEARBPZSA-N 1 1 302.374 3.128 20 5 DGBDMO O=[N+]([O-])c1cccc(C[N@H+]2CC3(CCC3)[C@@H]2[C@H]2CCCO2)c1 ZINC000289749662 221200206 /nfs/dbraw/zinc/20/02/06/221200206.db2.gz YPDJWBPINSRAPN-CVEARBPZSA-N 1 1 302.374 3.128 20 5 DGBDMO C/C(=C/c1cccc([N+](=O)[O-])c1)C[N@@H+](C)CC1CCOCC1 ZINC000470173071 533380389 /nfs/dbraw/zinc/38/03/89/533380389.db2.gz HPPHJNZHBNFBPZ-UVTDQMKNSA-N 1 1 304.390 3.357 20 5 DGBDMO C/C(=C/c1cccc([N+](=O)[O-])c1)C[N@@H+]1CCC[C@@H]1C[C@@H](C)O ZINC000470183036 533382135 /nfs/dbraw/zinc/38/21/35/533382135.db2.gz OXPAOKPWAPDTQT-HHFPWCGMSA-N 1 1 304.390 3.233 20 5 DGBDMO COC(=O)[C@H]1CC[N@@H+]([C@@H](C)c2cccc([N+](=O)[O-])c2)[C@H]1C(C)C ZINC000429406185 533439339 /nfs/dbraw/zinc/43/93/39/533439339.db2.gz JRCBKGZOCNTCEK-RCBQFDQVSA-N 1 1 320.389 3.175 20 5 DGBDMO COc1cccc(NCC[N@H+]2CCCC(C)(C)C2)c1[N+](=O)[O-] ZINC000443970370 533619350 /nfs/dbraw/zinc/61/93/50/533619350.db2.gz IFBCMSMNKQSLHG-UHFFFAOYSA-N 1 1 307.394 3.137 20 5 DGBDMO C[C@@H]1C[C@@H](Nc2ccc3cc([N+](=O)[O-])ccc3n2)CC[N@H+]1C ZINC000317097269 533661149 /nfs/dbraw/zinc/66/11/49/533661149.db2.gz BFCDDLVOWUJPTK-YPMHNXCESA-N 1 1 300.362 3.038 20 5 DGBDMO C[C@@H]1C[C@@H](Nc2ccnc3c2cccc3[N+](=O)[O-])CC[N@H+]1C ZINC000317733364 533663504 /nfs/dbraw/zinc/66/35/04/533663504.db2.gz ROOXVVUISKUKLG-NEPJUHHUSA-N 1 1 300.362 3.038 20 5 DGBDMO COc1cc([N+](=O)[O-])ccc1[C@@H](C)[NH2+]Cc1cc(C)nc(C)c1 ZINC000595044442 400086856 /nfs/dbraw/zinc/08/68/56/400086856.db2.gz MTNZBOWDDNZTNX-CYBMUJFWSA-N 1 1 315.373 3.466 20 5 DGBDMO Cc1c([C@@H](C)N[C@@H]2CC[N@H+](C(C)(C)C)C2)cccc1[N+](=O)[O-] ZINC000595057534 400094319 /nfs/dbraw/zinc/09/43/19/400094319.db2.gz ZIVMICHOUHALGF-ZIAGYGMSSA-N 1 1 305.422 3.427 20 5 DGBDMO Cc1c([C@@H](C)[NH2+][C@@H]2CCN(C(C)(C)C)C2)cccc1[N+](=O)[O-] ZINC000595057534 400094327 /nfs/dbraw/zinc/09/43/27/400094327.db2.gz ZIVMICHOUHALGF-ZIAGYGMSSA-N 1 1 305.422 3.427 20 5 DGBDMO COc1cccc(OC)c1C[NH2+][C@@H](C)c1cccc([N+](=O)[O-])c1 ZINC000595074444 400099360 /nfs/dbraw/zinc/09/93/60/400099360.db2.gz RWCKFLPLXCLQBN-LBPRGKRZSA-N 1 1 316.357 3.463 20 5 DGBDMO O=[N+]([O-])c1cc(F)ccc1C[N@@H+]1CCSC[C@H]1C1CCC1 ZINC000595549338 400185085 /nfs/dbraw/zinc/18/50/85/400185085.db2.gz CUWGALRGWOJCTG-HNNXBMFYSA-N 1 1 310.394 3.451 20 5 DGBDMO O=[N+]([O-])c1cc(F)ccc1C[N@H+]1CCSC[C@H]1C1CCC1 ZINC000595549338 400185090 /nfs/dbraw/zinc/18/50/90/400185090.db2.gz CUWGALRGWOJCTG-HNNXBMFYSA-N 1 1 310.394 3.451 20 5 DGBDMO Cc1noc(C[N@@H+]2CC[C@H](c3ccccc3)[C@@H]2C)c1[N+](=O)[O-] ZINC000595339501 400130241 /nfs/dbraw/zinc/13/02/41/400130241.db2.gz QEMJZZRREVDBJA-JSGCOSHPSA-N 1 1 301.346 3.269 20 5 DGBDMO O=[N+]([O-])c1cc(F)ccc1N1CC[NH+](Cc2ccsc2)CC1 ZINC000015143484 400160436 /nfs/dbraw/zinc/16/04/36/400160436.db2.gz QAKWMRPOFYLDKP-UHFFFAOYSA-N 1 1 321.377 3.118 20 5 DGBDMO COc1ccc(C[NH2+]Cc2cccc(F)c2F)cc1[N+](=O)[O-] ZINC000609354203 400161667 /nfs/dbraw/zinc/16/16/67/400161667.db2.gz UYCBTNDYIGTBQY-UHFFFAOYSA-N 1 1 308.284 3.171 20 5 DGBDMO O=[N+]([O-])c1ccc(N[C@H]2CC[N@@H+](CC3CC3)C2)c2ccncc21 ZINC000609384351 400163987 /nfs/dbraw/zinc/16/39/87/400163987.db2.gz MHVOXMILDLCXAC-ZDUSSCGKSA-N 1 1 312.373 3.039 20 5 DGBDMO C[C@@H](c1ccccc1)[N@H+](C)CC(=O)Nc1ccccc1[N+](=O)[O-] ZINC000024684963 400222944 /nfs/dbraw/zinc/22/29/44/400222944.db2.gz ICCCIAGJOYBHRY-ZDUSSCGKSA-N 1 1 313.357 3.226 20 5 DGBDMO C[C@@H](c1ccccc1)[N@@H+](C)CC(=O)Nc1ccccc1[N+](=O)[O-] ZINC000024684963 400222950 /nfs/dbraw/zinc/22/29/50/400222950.db2.gz ICCCIAGJOYBHRY-ZDUSSCGKSA-N 1 1 313.357 3.226 20 5 DGBDMO COC(=O)C(C)(C)[C@H]1CCC[N@@H+](Cc2cccc([N+](=O)[O-])c2)C1 ZINC000093283275 400236329 /nfs/dbraw/zinc/23/63/29/400236329.db2.gz PUMHCWUVOZFZKS-AWEZNQCLSA-N 1 1 320.389 3.006 20 5 DGBDMO CC(C)CO[C@H]1CCN(c2cc[nH+]c3ccc([N+](=O)[O-])cc32)C1 ZINC000601130879 400243016 /nfs/dbraw/zinc/24/30/16/400243016.db2.gz ZQOMXEZZEWMVJH-AWEZNQCLSA-N 1 1 315.373 3.394 20 5 DGBDMO CC(C)[C@H]1CN(c2cc[nH+]c3ccc([N+](=O)[O-])cc32)CCO1 ZINC000601140503 400246930 /nfs/dbraw/zinc/24/69/30/400246930.db2.gz WDEADKWJXDBFRJ-MRXNPFEDSA-N 1 1 301.346 3.004 20 5 DGBDMO CC[C@H](C)[N@@H+](CC)CCC(=O)Nc1cc([N+](=O)[O-])ccc1OC ZINC000595602899 400199743 /nfs/dbraw/zinc/19/97/43/400199743.db2.gz XXGQZVQRCDGGOM-LBPRGKRZSA-N 1 1 323.393 3.052 20 5 DGBDMO CC(C)[N@@H+](CCOC[C@H]1CCCO1)Cc1ccc([N+](=O)[O-])cc1 ZINC000610161082 400217305 /nfs/dbraw/zinc/21/73/05/400217305.db2.gz SEFLWLKEGHLCRR-QGZVFWFLSA-N 1 1 322.405 3.001 20 5 DGBDMO C[N@H+](Cc1ccc(-c2ccccc2[N+](=O)[O-])o1)C[C@@H](O)C1CC1 ZINC000589196452 400273318 /nfs/dbraw/zinc/27/33/18/400273318.db2.gz BQLSCRRTWZMSKI-MRXNPFEDSA-N 1 1 316.357 3.058 20 5 DGBDMO CCCC[C@H](C)[N@@H+](C)CCC(=O)Nc1ccccc1[N+](=O)[O-] ZINC000589309149 400287408 /nfs/dbraw/zinc/28/74/08/400287408.db2.gz JAMDVZXTLRXOKT-ZDUSSCGKSA-N 1 1 307.394 3.434 20 5 DGBDMO C[N@H+](Cc1nc(-c2ccc([N+](=O)[O-])cc2)no1)C[C@H]1CC1(C)C ZINC000595908121 400292278 /nfs/dbraw/zinc/29/22/78/400292278.db2.gz GBXWCVJAVRPMTE-GFCCVEGCSA-N 1 1 316.361 3.123 20 5 DGBDMO O=[N+]([O-])c1cccc(F)c1C[N@@H+]1C[C@]23COC[C@@]2(C1)CCCC3 ZINC000595908437 400292409 /nfs/dbraw/zinc/29/24/09/400292409.db2.gz IFELHWNFEHVFFY-CALCHBBNSA-N 1 1 320.364 3.127 20 5 DGBDMO Cc1c(NC(=O)CC[N@H+](C)C[C@H]2CC2(C)C)cccc1[N+](=O)[O-] ZINC000595910931 400292483 /nfs/dbraw/zinc/29/24/83/400292483.db2.gz UOJLOBWIVFYPNH-CYBMUJFWSA-N 1 1 319.405 3.210 20 5 DGBDMO Cc1c(NC(=O)[C@@H](C)[N@@H+](C)C[C@H]2CC2(C)C)cccc1[N+](=O)[O-] ZINC000595910851 400292540 /nfs/dbraw/zinc/29/25/40/400292540.db2.gz SWSVVQPSUUGWIU-CHWSQXEVSA-N 1 1 319.405 3.208 20 5 DGBDMO C[C@@H](NC[C@H]1CCC[N@@H+](CC2CC2)C1)c1ccc([N+](=O)[O-])cc1 ZINC000596094076 400315766 /nfs/dbraw/zinc/31/57/66/400315766.db2.gz JFAHHGWXDVSELL-GDBMZVCRSA-N 1 1 317.433 3.367 20 5 DGBDMO C[C@@H](C(=O)Nc1ccc([N+](=O)[O-])cc1)[N@@H+](C)CC1CCCC1 ZINC000069227746 400318743 /nfs/dbraw/zinc/31/87/43/400318743.db2.gz VAAZYUITOMAOCL-LBPRGKRZSA-N 1 1 305.378 3.044 20 5 DGBDMO C[C@H]1CN(c2cc[nH+]c3ccc([N+](=O)[O-])cc32)CC2(CCC2)O1 ZINC000601185913 400258563 /nfs/dbraw/zinc/25/85/63/400258563.db2.gz YEMRSYBVVPPADO-LBPRGKRZSA-N 1 1 313.357 3.291 20 5 DGBDMO CC(=O)c1ccc(N[C@H]2CC[N@H+](C(C)(C)C)C2)c([N+](=O)[O-])c1 ZINC000596327037 400381607 /nfs/dbraw/zinc/38/16/07/400381607.db2.gz MJLBWJZPMJKDDR-ZDUSSCGKSA-N 1 1 305.378 3.082 20 5 DGBDMO O=[N+]([O-])c1ccc(CC[N@H+]2CCC[C@H](C[C@H]3CCOC3)C2)cc1 ZINC000611350377 400383193 /nfs/dbraw/zinc/38/31/93/400383193.db2.gz KIQHTTVFNFYOFN-IAGOWNOFSA-N 1 1 318.417 3.276 20 5 DGBDMO O=[N+]([O-])c1ccc(N2CC[C@@H]3[C@@H](CCC[N@H+]3C3CC3)C2)s1 ZINC000610946683 400327191 /nfs/dbraw/zinc/32/71/91/400327191.db2.gz BOGBHGAMMKNOTB-WCQYABFASA-N 1 1 307.419 3.109 20 5 DGBDMO C[N@@H+](Cc1cc2c(cc1[N+](=O)[O-])OCCO2)C1CCCCC1 ZINC000611249465 400363777 /nfs/dbraw/zinc/36/37/77/400363777.db2.gz YWFHFRQRSDFSOA-UHFFFAOYSA-N 1 1 306.362 3.131 20 5 DGBDMO CC1CCC([N@@H+](C)Cc2cc3c(cc2[N+](=O)[O-])OCCO3)CC1 ZINC000611253044 400365094 /nfs/dbraw/zinc/36/50/94/400365094.db2.gz WOIWQMSDFRHZGU-UHFFFAOYSA-N 1 1 320.389 3.377 20 5 DGBDMO CCCC[N@@H+](Cc1cc2c(cc1[N+](=O)[O-])OCCO2)C1CC1 ZINC000611254426 400365287 /nfs/dbraw/zinc/36/52/87/400365287.db2.gz MLECTYCHVGNXJI-UHFFFAOYSA-N 1 1 306.362 3.131 20 5 DGBDMO C[N@@H+](Cc1ccccc1)[C@H]1CCN(c2sccc2[N+](=O)[O-])C1 ZINC000611413005 400396484 /nfs/dbraw/zinc/39/64/84/400396484.db2.gz UHRZBVVKPBRWAJ-AWEZNQCLSA-N 1 1 317.414 3.367 20 5 DGBDMO Cc1ncc([N+](=O)[O-])n1CC[N@H+](C)Cc1ccc2ccccc2c1 ZINC000611524972 400415493 /nfs/dbraw/zinc/41/54/93/400415493.db2.gz AVBFHQDMTRAAPL-UHFFFAOYSA-N 1 1 324.384 3.385 20 5 DGBDMO COc1cc(N[C@H]2CC[N@H+](C3CCCCC3)C2)ccc1[N+](=O)[O-] ZINC000596476340 400423748 /nfs/dbraw/zinc/42/37/48/400423748.db2.gz CURWSNBZHMMFQX-AWEZNQCLSA-N 1 1 319.405 3.422 20 5 DGBDMO O=[N+]([O-])c1cnc(N[C@H]2CC[N@H+](C3CCCCC3)C2)c(Cl)c1 ZINC000596477895 400424232 /nfs/dbraw/zinc/42/42/32/400424232.db2.gz LNZSSRIRRHHCGV-NSHDSACASA-N 1 1 324.812 3.462 20 5 DGBDMO Cc1cnc(N[C@H]2CC[N@H+](C3CCCCC3)C2)c([N+](=O)[O-])c1 ZINC000596477886 400424610 /nfs/dbraw/zinc/42/46/10/400424610.db2.gz LJPMVAIICIVYGO-ZDUSSCGKSA-N 1 1 304.394 3.117 20 5 DGBDMO C[C@@H]1CCCC[N@H+]1C[C@@H]1CCCN(c2ncccc2[N+](=O)[O-])C1 ZINC000072945093 400418028 /nfs/dbraw/zinc/41/80/28/400418028.db2.gz YQJYDILQBMOINA-CABCVRRESA-N 1 1 318.421 3.081 20 5 DGBDMO COc1ccc([N+](=O)[O-])c(NC[C@@H]2CCC[N@@H+](CC3CC3)C2)c1 ZINC000596570686 400446756 /nfs/dbraw/zinc/44/67/56/400446756.db2.gz MTCBCVMLSUOGSQ-AWEZNQCLSA-N 1 1 319.405 3.137 20 5 DGBDMO Cc1cc(NC[C@@H]2CCC[N@@H+](CC3CC3)C2)ccc1[N+](=O)[O-] ZINC000596571263 400447118 /nfs/dbraw/zinc/44/71/18/400447118.db2.gz RRUCVZYXRZVCJP-HNNXBMFYSA-N 1 1 303.406 3.437 20 5 DGBDMO Cc1cc(NC[C@H]2CCC[N@@H+](CC3CC3)C2)c([N+](=O)[O-])s1 ZINC000596571599 400447779 /nfs/dbraw/zinc/44/77/79/400447779.db2.gz XORUBBPJNWVWQM-CYBMUJFWSA-N 1 1 309.435 3.499 20 5 DGBDMO Nc1c(F)cccc1C[N@H+](Cc1cccc([N+](=O)[O-])c1)C1CC1 ZINC000602440191 400462583 /nfs/dbraw/zinc/46/25/83/400462583.db2.gz OKMADCBYOWULTQ-UHFFFAOYSA-N 1 1 315.348 3.481 20 5 DGBDMO Nc1c(F)cccc1C[N@@H+](Cc1cccc([N+](=O)[O-])c1)C1CC1 ZINC000602440191 400462585 /nfs/dbraw/zinc/46/25/85/400462585.db2.gz OKMADCBYOWULTQ-UHFFFAOYSA-N 1 1 315.348 3.481 20 5 DGBDMO COc1ncc(C[N@H+](Cc2ccc([N+](=O)[O-])cc2)C(C)C)s1 ZINC000602441244 400464663 /nfs/dbraw/zinc/46/46/63/400464663.db2.gz WELDMLJLBMGOPH-UHFFFAOYSA-N 1 1 321.402 3.471 20 5 DGBDMO COc1ncc(C[N@@H+](Cc2ccc([N+](=O)[O-])cc2)C(C)C)s1 ZINC000602441244 400464667 /nfs/dbraw/zinc/46/46/67/400464667.db2.gz WELDMLJLBMGOPH-UHFFFAOYSA-N 1 1 321.402 3.471 20 5 DGBDMO C[C@H](C(=O)Nc1ccccc1[N+](=O)[O-])[N@@H+](C)CC1CCCCC1 ZINC000043999959 400482527 /nfs/dbraw/zinc/48/25/27/400482527.db2.gz HYZPLFUXJILMNO-CYBMUJFWSA-N 1 1 319.405 3.434 20 5 DGBDMO Cc1ncc([N+](=O)[O-])n1CC[N@H+]1CCC[C@@H]1c1ccc(F)cc1 ZINC000602759729 400564959 /nfs/dbraw/zinc/56/49/59/400564959.db2.gz MXDVCKMTTVZVOE-OAHLLOKOSA-N 1 1 318.352 3.076 20 5 DGBDMO O=[N+]([O-])c1cc(F)c(C[N@@H+]2CC[C@H](c3cccnc3)C2)c(F)c1 ZINC000592139323 400613139 /nfs/dbraw/zinc/61/31/39/400613139.db2.gz WETVPSCINQLKQE-LBPRGKRZSA-N 1 1 319.311 3.258 20 5 DGBDMO O=[N+]([O-])c1cc(F)c(C[N@H+]2CC[C@H](c3cccnc3)C2)c(F)c1 ZINC000592139323 400613143 /nfs/dbraw/zinc/61/31/43/400613143.db2.gz WETVPSCINQLKQE-LBPRGKRZSA-N 1 1 319.311 3.258 20 5 DGBDMO C[C@@H]1CC2(C[N@H+]1Cc1ccc([N+](=O)[O-])cc1F)CCOCC2 ZINC000592182707 400619295 /nfs/dbraw/zinc/61/92/95/400619295.db2.gz PQSDSGJPNUHKGI-GFCCVEGCSA-N 1 1 308.353 3.125 20 5 DGBDMO Cc1c(C[N@H+]2C[C@@H](C)OC3(CCCC3)C2)cccc1[N+](=O)[O-] ZINC000592188414 400620457 /nfs/dbraw/zinc/62/04/57/400620457.db2.gz PCJINEZXSXTEJD-CYBMUJFWSA-N 1 1 304.390 3.437 20 5 DGBDMO Cc1c(C[N@@H+]2C[C@@H](C)OC3(CCCC3)C2)cccc1[N+](=O)[O-] ZINC000592188414 400620462 /nfs/dbraw/zinc/62/04/62/400620462.db2.gz PCJINEZXSXTEJD-CYBMUJFWSA-N 1 1 304.390 3.437 20 5 DGBDMO CC[N@@H+](Cc1nc(-c2cccc([N+](=O)[O-])c2)no1)C1CCCC1 ZINC000047966288 400637333 /nfs/dbraw/zinc/63/73/33/400637333.db2.gz PIEFKUZUFYGKCB-UHFFFAOYSA-N 1 1 316.361 3.409 20 5 DGBDMO O=[N+]([O-])c1ccccc1-c1ccc(C[N@H+]2CCC3(COC3)C2)o1 ZINC000597231629 400594130 /nfs/dbraw/zinc/59/41/30/400594130.db2.gz ZNDNBSFBFDYJNX-UHFFFAOYSA-N 1 1 314.341 3.077 20 5 DGBDMO CC(C)c1ccc(C[N@H+]2C[C@@H](C)[C@](C)(CO)C2)cc1[N+](=O)[O-] ZINC000597235215 400595254 /nfs/dbraw/zinc/59/52/54/400595254.db2.gz GGYBJHGGODDZDJ-DYVFJYSZSA-N 1 1 306.406 3.169 20 5 DGBDMO Cc1noc([C@@H]2CCC[N@H+]([C@@H](C)c3ccccc3[N+](=O)[O-])C2)n1 ZINC000075646001 400600567 /nfs/dbraw/zinc/60/05/67/400600567.db2.gz IJAWPLVVCBZXKY-WCQYABFASA-N 1 1 316.361 3.227 20 5 DGBDMO CC(=Cc1cccc([N+](=O)[O-])c1)C[N@H+]1CCCc2n[nH]cc2C1 ZINC000597269644 400603558 /nfs/dbraw/zinc/60/35/58/400603558.db2.gz VXDZFJMMCKYSST-JYRVWZFOSA-N 1 1 312.373 3.170 20 5 DGBDMO CC(=Cc1cccc([N+](=O)[O-])c1)CN1CCCc2n[nH]cc2C1 ZINC000597269644 400603564 /nfs/dbraw/zinc/60/35/64/400603564.db2.gz VXDZFJMMCKYSST-JYRVWZFOSA-N 1 1 312.373 3.170 20 5 DGBDMO C[C@H](C[C@H](C)[NH3+])NCc1ccc(-c2cccc([N+](=O)[O-])c2)o1 ZINC000592438260 400649521 /nfs/dbraw/zinc/64/95/21/400649521.db2.gz IAPATTBNGLNQEY-NWDGAFQWSA-N 1 1 303.362 3.070 20 5 DGBDMO C[C@H]1CC2(C[N@H+]1C/C=C\c1ccccc1[N+](=O)[O-])CCOCC2 ZINC000592527226 400665110 /nfs/dbraw/zinc/66/51/10/400665110.db2.gz MTLOLJCUCSICCC-VOKGJARPSA-N 1 1 316.401 3.499 20 5 DGBDMO C[C@@H]1CC[N@@H+](CCn2cc([N+](=O)[O-])cn2)CC12CCCCC2 ZINC000613188794 400670107 /nfs/dbraw/zinc/67/01/07/400670107.db2.gz FMDZTJYSCSSUNH-CQSZACIVSA-N 1 1 306.410 3.084 20 5 DGBDMO Cc1[nH+]ccn1-c1ccc(CNc2ccc([N+](=O)[O-])cc2)cn1 ZINC000052510356 400735498 /nfs/dbraw/zinc/73/54/98/400735498.db2.gz ASLRWQBMRRZSIR-UHFFFAOYSA-N 1 1 309.329 3.096 20 5 DGBDMO Cc1cc(C[NH2+][C@H]2CC(C)(C)c3ccc([N+](=O)[O-])cc32)ncn1 ZINC000618986762 400739438 /nfs/dbraw/zinc/73/94/38/400739438.db2.gz UPGXESYNLOJLIL-INIZCTEOSA-N 1 1 312.373 3.205 20 5 DGBDMO CCOC(=O)CC[C@H]1CCC[N@@H+](Cc2cccc([N+](=O)[O-])c2)C1 ZINC000162224315 400744277 /nfs/dbraw/zinc/74/42/77/400744277.db2.gz SBHBAMNGLVWOCI-CQSZACIVSA-N 1 1 320.389 3.150 20 5 DGBDMO COc1cccc(C[N@@H+](C)Cc2ccc(OC)c([N+](=O)[O-])c2)c1 ZINC000051324183 400700416 /nfs/dbraw/zinc/70/04/16/400700416.db2.gz XXYBRRGCUIIMRM-UHFFFAOYSA-N 1 1 316.357 3.244 20 5 DGBDMO COc1ccc(C[N@@H+](C)CCc2ccccc2)cc1[N+](=O)[O-] ZINC000052000176 400714010 /nfs/dbraw/zinc/71/40/10/400714010.db2.gz FOCFZKNUDNXLGP-UHFFFAOYSA-N 1 1 300.358 3.278 20 5 DGBDMO CC[C@@H]([NH2+]Cc1csc(N(C)C)n1)c1cccc([N+](=O)[O-])c1 ZINC000157134044 400714985 /nfs/dbraw/zinc/71/49/85/400714985.db2.gz REZVTMWFZPIVJF-CQSZACIVSA-N 1 1 320.418 3.358 20 5 DGBDMO CCC[N@@H+](C)C[C@@H]1CCN(c2ccc(Cl)cc2[N+](=O)[O-])C1 ZINC000078562687 400808971 /nfs/dbraw/zinc/80/89/71/400808971.db2.gz CJWXMRXRTBSTAM-LBPRGKRZSA-N 1 1 311.813 3.416 20 5 DGBDMO C[C@H](c1ccccc1)[N@H+]1CC[C@@H](Nc2cccnc2[N+](=O)[O-])C1 ZINC000604304586 400762068 /nfs/dbraw/zinc/76/20/68/400762068.db2.gz QLICEQRMAMCUMR-UKRRQHHQSA-N 1 1 312.373 3.237 20 5 DGBDMO Cc1ccc(OCC[N@H+](C)Cc2ccccc2[N+](=O)[O-])cc1 ZINC000053421030 400783181 /nfs/dbraw/zinc/78/31/81/400783181.db2.gz ASPLUBWDHZYJMU-UHFFFAOYSA-N 1 1 300.358 3.414 20 5 DGBDMO CC(=O)c1ccc(N(C)CC[C@H]2CCCC[N@H+]2C)c([N+](=O)[O-])c1 ZINC000078455673 400801629 /nfs/dbraw/zinc/80/16/29/400801629.db2.gz LWWBUQAMCULTEG-OAHLLOKOSA-N 1 1 319.405 3.108 20 5 DGBDMO Cc1ccc([N+](=O)[O-])cc1[C@H](C)[NH2+]C[C@H]1CCCC[N@H+](C)C1 ZINC000599069313 400949211 /nfs/dbraw/zinc/94/92/11/400949211.db2.gz FZGOJRYROVDBEG-LSDHHAIUSA-N 1 1 305.422 3.286 20 5 DGBDMO CCC[N@@H+](CCCn1c(=O)oc2ccc([N+](=O)[O-])cc21)C(C)C ZINC000594023457 400950151 /nfs/dbraw/zinc/95/01/51/400950151.db2.gz NJVMIYZXWKRUIT-UHFFFAOYSA-N 1 1 321.377 3.013 20 5 DGBDMO CC1CCC([N@@H+](C)CC(=O)Nc2ccccc2[N+](=O)[O-])CC1 ZINC000198202609 400929140 /nfs/dbraw/zinc/92/91/40/400929140.db2.gz DVIHGSISSXOTEF-UHFFFAOYSA-N 1 1 305.378 3.044 20 5 DGBDMO CO[C@@]1(C(F)(F)F)CCC[N@H+](Cc2ccc([N+](=O)[O-])cc2)C1 ZINC000614922253 400965634 /nfs/dbraw/zinc/96/56/34/400965634.db2.gz OWLJNLJJEFNALX-ZDUSSCGKSA-N 1 1 318.295 3.138 20 5 DGBDMO CO[C@@]1(C(F)(F)F)CCC[N@@H+](Cc2ccc([N+](=O)[O-])cc2)C1 ZINC000614922253 400965637 /nfs/dbraw/zinc/96/56/37/400965637.db2.gz OWLJNLJJEFNALX-ZDUSSCGKSA-N 1 1 318.295 3.138 20 5 DGBDMO Nc1c(F)c(NC[C@H]2CC[N@H+]2C2CCCCC2)ccc1[N+](=O)[O-] ZINC000599127949 400970038 /nfs/dbraw/zinc/97/00/38/400970038.db2.gz ROHGCSLBCGGHGP-GFCCVEGCSA-N 1 1 322.384 3.135 20 5 DGBDMO COc1cc(C[N@H+]2CCCC(F)(F)CC2)ccc1[N+](=O)[O-] ZINC000599552750 401074350 /nfs/dbraw/zinc/07/43/50/401074350.db2.gz NXWUGDYYRROIGY-UHFFFAOYSA-N 1 1 300.305 3.225 20 5 DGBDMO CCOc1cc(C[N@H+]2CC[C@H]3CC[C@@H](C2)S3)ccc1[N+](=O)[O-] ZINC000599553358 401075158 /nfs/dbraw/zinc/07/51/58/401075158.db2.gz QLSYZZSROGNFPY-KGLIPLIRSA-N 1 1 322.430 3.463 20 5 DGBDMO CCc1nc(C)c(C[NH2+][C@H]2CCc3c2cccc3[N+](=O)[O-])o1 ZINC000594525628 401102219 /nfs/dbraw/zinc/10/22/19/401102219.db2.gz XJJJJWJBOAMCHD-ZDUSSCGKSA-N 1 1 301.346 3.231 20 5 DGBDMO C[N@H+]1CCC[C@@H]2CN(C/C=C\c3ccccc3[N+](=O)[O-])CC[C@H]21 ZINC000255393958 401104837 /nfs/dbraw/zinc/10/48/37/401104837.db2.gz GJCKUFWFWRTEEF-BJESKFFQSA-N 1 1 315.417 3.024 20 5 DGBDMO COC1CCC([N@@H+](C)Cc2nc3cc([N+](=O)[O-])ccc3o2)CC1 ZINC000083174445 401113153 /nfs/dbraw/zinc/11/31/53/401113153.db2.gz GIJSYLBMFDOKNQ-UHFFFAOYSA-N 1 1 319.361 3.125 20 5 DGBDMO C[C@@H]1SCC[N@H+](Cc2nc3cc([N+](=O)[O-])ccc3o2)[C@H]1C ZINC000083199063 401114082 /nfs/dbraw/zinc/11/40/82/401114082.db2.gz BBIVWTMZYNGVEN-UWVGGRQHSA-N 1 1 307.375 3.062 20 5 DGBDMO C[C@@H]1SCC[N@@H+](Cc2nc3cc([N+](=O)[O-])ccc3o2)[C@H]1C ZINC000083199063 401114091 /nfs/dbraw/zinc/11/40/91/401114091.db2.gz BBIVWTMZYNGVEN-UWVGGRQHSA-N 1 1 307.375 3.062 20 5 DGBDMO C[C@@H](O)C[N@@H+](Cc1ccc(-c2ccccc2[N+](=O)[O-])o1)C1CC1 ZINC000594615354 401136030 /nfs/dbraw/zinc/13/60/30/401136030.db2.gz NGXMTEUSUHUDIA-GFCCVEGCSA-N 1 1 316.357 3.200 20 5 DGBDMO CC1(C)CCC[N@@H+]1CCN[C@H]1CCc2c1cccc2[N+](=O)[O-] ZINC000594516770 401093785 /nfs/dbraw/zinc/09/37/85/401093785.db2.gz FFHRCAWYPDMQDK-HNNXBMFYSA-N 1 1 303.406 3.046 20 5 DGBDMO CC1(C)CCC[N@H+]1CCN[C@H]1CCc2c1cccc2[N+](=O)[O-] ZINC000594516770 401093790 /nfs/dbraw/zinc/09/37/90/401093790.db2.gz FFHRCAWYPDMQDK-HNNXBMFYSA-N 1 1 303.406 3.046 20 5 DGBDMO CCO[C@H]1CCC[N@@H+](C/C(C)=C/c2cccc([N+](=O)[O-])c2)C1 ZINC000615833757 401160643 /nfs/dbraw/zinc/16/06/43/401160643.db2.gz NYNCAPGMYLWRCS-SHRNQRGKSA-N 1 1 304.390 3.499 20 5 DGBDMO CO[C@H]1CCC[N@@H+](C/C(C)=C/c2cccc([N+](=O)[O-])c2)CC1 ZINC000615837578 401160741 /nfs/dbraw/zinc/16/07/41/401160741.db2.gz FPPHEDQJGLUWRB-WKOYGUFESA-N 1 1 304.390 3.499 20 5 DGBDMO CC[N@H+](C/C(C)=C/c1cccc([N+](=O)[O-])c1)C[C@@H]1CCOC1 ZINC000615833509 401160810 /nfs/dbraw/zinc/16/08/10/401160810.db2.gz VASDHWZUSNJYPM-IDJPSDCMSA-N 1 1 304.390 3.357 20 5 DGBDMO CC[N@@H+](CCn1ccc([N+](=O)[O-])n1)[C@@H](C)c1ccc(F)cc1 ZINC000358261232 286014149 /nfs/dbraw/zinc/01/41/49/286014149.db2.gz DMLZXVCQQWVIJG-LBPRGKRZSA-N 1 1 306.341 3.014 20 5 DGBDMO CCC[C@H](C)[N@@H+](C)CCC(=O)Nc1ccc([N+](=O)[O-])cc1C ZINC000063499562 401196890 /nfs/dbraw/zinc/19/68/90/401196890.db2.gz QVEOAJDMXDLAIZ-ZDUSSCGKSA-N 1 1 307.394 3.352 20 5 DGBDMO Cn1ncc(C2CC2)c1C[NH2+]Cc1ccc([N+](=O)[O-])cc1Cl ZINC000594947549 401202610 /nfs/dbraw/zinc/20/26/10/401202610.db2.gz UVYNETICHVYZQW-UHFFFAOYSA-N 1 1 320.780 3.149 20 5 DGBDMO CCC[N@@H+]1CC[C@H](NC/C(C)=C\c2cccc([N+](=O)[O-])c2)C1 ZINC000594991917 401221191 /nfs/dbraw/zinc/22/11/91/401221191.db2.gz NKPZNWNQKZKIIA-DNXIFWLFSA-N 1 1 303.406 3.072 20 5 DGBDMO CCC[N@H+]1CC[C@H](NC/C(C)=C\c2cccc([N+](=O)[O-])c2)C1 ZINC000594991917 401221203 /nfs/dbraw/zinc/22/12/03/401221203.db2.gz NKPZNWNQKZKIIA-DNXIFWLFSA-N 1 1 303.406 3.072 20 5 DGBDMO COc1cc([N+](=O)[O-])ccc1[C@H](C)[NH2+]Cc1c(C)noc1C ZINC000595007557 401228518 /nfs/dbraw/zinc/22/85/18/401228518.db2.gz MCMVGDBVQKQOOE-VIFPVBQESA-N 1 1 305.334 3.059 20 5 DGBDMO COc1cc([N+](=O)[O-])ccc1[C@@H](C)[NH2+][C@@H](C)c1cn(C)nc1C ZINC000595010813 401230807 /nfs/dbraw/zinc/23/08/07/401230807.db2.gz IPPXPBIOHHLHAR-MNOVXSKESA-N 1 1 318.377 3.057 20 5 DGBDMO Cc1cc([N+](=O)[O-])ccc1NC(=O)C[N@H+]1CCC[C@H]2CCC[C@@H]21 ZINC000173555723 164700200 /nfs/dbraw/zinc/70/02/00/164700200.db2.gz HDULZPMMDJAXCT-CJNGLKHVSA-N 1 1 317.389 3.106 20 5 DGBDMO COCC1=CC[N@H+](Cc2ccc(C(C)C)c([N+](=O)[O-])c2)CC1 ZINC000187622549 165097781 /nfs/dbraw/zinc/09/77/81/165097781.db2.gz LTPYSSLLAGGUEW-UHFFFAOYSA-N 1 1 304.390 3.497 20 5 DGBDMO COCC1=CC[N@@H+](Cc2ccc(C(C)C)c([N+](=O)[O-])c2)CC1 ZINC000187622549 165097784 /nfs/dbraw/zinc/09/77/84/165097784.db2.gz LTPYSSLLAGGUEW-UHFFFAOYSA-N 1 1 304.390 3.497 20 5 DGBDMO C[C@@H](c1ccccc1[N+](=O)[O-])N1CC[C@]2(C1)CCC[N@@H+](C)C2 ZINC000292837386 287152645 /nfs/dbraw/zinc/15/26/45/287152645.db2.gz AYVOLCJXQKSVHM-WMLDXEAASA-N 1 1 303.406 3.074 20 5 DGBDMO COc1cccc(C[N@H+](Cc2ccc([N+](=O)[O-])cc2)C(C)C)n1 ZINC000171859646 432179754 /nfs/dbraw/zinc/17/97/54/432179754.db2.gz BSVNKCICULMXCF-UHFFFAOYSA-N 1 1 315.373 3.409 20 5 DGBDMO COc1cccc(C[N@@H+](Cc2ccc([N+](=O)[O-])cc2)C(C)C)n1 ZINC000171859646 432179758 /nfs/dbraw/zinc/17/97/58/432179758.db2.gz BSVNKCICULMXCF-UHFFFAOYSA-N 1 1 315.373 3.409 20 5 DGBDMO O=[N+]([O-])c1cccc([C@H](O)C[N@@H+](Cc2cccs2)C2CC2)c1 ZINC000269667549 432194847 /nfs/dbraw/zinc/19/48/47/432194847.db2.gz SWUAULUIKWGAEW-MRXNPFEDSA-N 1 1 318.398 3.354 20 5 DGBDMO C[N@@H+](Cc1ccccc1Cl)C[C@@H](O)c1cccc([N+](=O)[O-])c1 ZINC000269675767 432195224 /nfs/dbraw/zinc/19/52/24/432195224.db2.gz BWTPCWFMMLPWBT-MRXNPFEDSA-N 1 1 320.776 3.414 20 5 DGBDMO C[N@H+](Cc1ccccc1Cl)C[C@@H](O)c1cccc([N+](=O)[O-])c1 ZINC000269675767 432195228 /nfs/dbraw/zinc/19/52/28/432195228.db2.gz BWTPCWFMMLPWBT-MRXNPFEDSA-N 1 1 320.776 3.414 20 5 DGBDMO C[C@@H](O)C[N@@H+](C)Cc1ccc(-c2ccc([N+](=O)[O-])cc2Cl)o1 ZINC000130671852 196100956 /nfs/dbraw/zinc/10/09/56/196100956.db2.gz ITRMCCBDHMPFPH-SNVBAGLBSA-N 1 1 324.764 3.321 20 5 DGBDMO Cc1ccc([N+](=O)[O-])cc1[C@H](C)[N@H+]1CCC[C@H](C2OCCO2)C1 ZINC000182742546 432224655 /nfs/dbraw/zinc/22/46/55/432224655.db2.gz OMSYZPRYGWWXFO-KBPBESRZSA-N 1 1 320.389 3.049 20 5 DGBDMO O=[N+]([O-])c1ccc(CN2CCC[N@H+](C3CCCC3)CC2)cc1 ZINC000172583177 432221820 /nfs/dbraw/zinc/22/18/20/432221820.db2.gz SGOJGIZMGZUIFJ-UHFFFAOYSA-N 1 1 303.406 3.045 20 5 DGBDMO CCCC[N@@H+](CC)[C@H](C)C(=O)Nc1cc([N+](=O)[O-])ccc1OC ZINC000131903307 196209190 /nfs/dbraw/zinc/20/91/90/196209190.db2.gz ITSBDBPJAFETJR-GFCCVEGCSA-N 1 1 323.393 3.052 20 5 DGBDMO Cc1ccccc1CC[N@H+](C)C[C@H](O)c1cccc([N+](=O)[O-])c1 ZINC000295776120 225221142 /nfs/dbraw/zinc/22/11/42/225221142.db2.gz SZMHNOTUVWIRPC-SFHVURJKSA-N 1 1 314.385 3.111 20 5 DGBDMO COc1ccc(OCC[N@@H+](C)[C@@H](C)C2(C)CC2)c([N+](=O)[O-])c1 ZINC000177244584 228327812 /nfs/dbraw/zinc/32/78/12/228327812.db2.gz SELIYYTXZWHHJW-LBPRGKRZSA-N 1 1 308.378 3.103 20 5 DGBDMO C[C@@H]1CCC[N@@H+](CCCCNc2ncc([N+](=O)[O-])cc2F)C1 ZINC000413063797 230123612 /nfs/dbraw/zinc/12/36/12/230123612.db2.gz SQNNOMMRFKYFHF-GFCCVEGCSA-N 1 1 310.373 3.053 20 5 DGBDMO CC(C)[N@@H+](C)C[C@H](C)Nc1cc(C(F)(F)F)ncc1[N+](=O)[O-] ZINC000319744682 263899689 /nfs/dbraw/zinc/89/96/89/263899689.db2.gz UCDTZUZVBUACEK-VIFPVBQESA-N 1 1 320.315 3.149 20 5 DGBDMO C[C@@H]([NH3+])[C@H]1CCN(Cc2ccc(-c3ccccc3[N+](=O)[O-])o2)C1 ZINC000346665663 264076319 /nfs/dbraw/zinc/07/63/19/264076319.db2.gz DGDVSDZDPSOOOE-OLZOCXBDSA-N 1 1 315.373 3.024 20 5 DGBDMO C/C(=C\c1cccc([N+](=O)[O-])c1)C[N@H+]1CC[C@@]2(CCOC2)C1 ZINC000347331548 264198059 /nfs/dbraw/zinc/19/80/59/264198059.db2.gz FMYWHBFMJKXINZ-RKCSUWQLSA-N 1 1 302.374 3.111 20 5 DGBDMO COC(=O)C[C@@H]1CCC[N@H+]1C/C(C)=C\c1cccc([N+](=O)[O-])c1 ZINC000347356945 264205434 /nfs/dbraw/zinc/20/54/34/264205434.db2.gz DKWOSUDZSPACBD-CTXBLAANSA-N 1 1 318.373 3.026 20 5 DGBDMO Cc1c2ccccc2oc1[C@H](C)[NH2+]Cc1c([N+](=O)[O-])ncn1C ZINC000348003221 264322218 /nfs/dbraw/zinc/32/22/18/264322218.db2.gz MPEFZJUTAUKJGM-NSHDSACASA-N 1 1 314.345 3.234 20 5 DGBDMO CCC[N@@H+](CC)C[C@H](C)NC(=O)Nc1ccc(C)c([N+](=O)[O-])c1 ZINC000352393040 265031165 /nfs/dbraw/zinc/03/11/65/265031165.db2.gz XXPJQQQTWXWXEE-ZDUSSCGKSA-N 1 1 322.409 3.145 20 5 DGBDMO C[N@@H+](CCCC(=O)OC(C)(C)C)CCc1ccccc1[N+](=O)[O-] ZINC000352570775 265093019 /nfs/dbraw/zinc/09/30/19/265093019.db2.gz MGPIPMSCUBNKPY-UHFFFAOYSA-N 1 1 322.405 3.191 20 5 DGBDMO COc1cccc(OC)c1C[NH2+]Cc1cccc([N+](=O)[O-])c1C ZINC000352697868 265132525 /nfs/dbraw/zinc/13/25/25/265132525.db2.gz JYIKMVNMEANWJX-UHFFFAOYSA-N 1 1 316.357 3.210 20 5 DGBDMO C[C@@H]1CC[C@@H](c2ccccc2)[N@@H+](CCn2cc([N+](=O)[O-])cn2)C1 ZINC000352791296 265169719 /nfs/dbraw/zinc/16/97/19/265169719.db2.gz HPVOUPHJGDMJCD-PBHICJAKSA-N 1 1 314.389 3.265 20 5 DGBDMO Cc1ccccc1-n1nccc1C[NH2+]Cc1ccccc1[N+](=O)[O-] ZINC000353940547 265604897 /nfs/dbraw/zinc/60/48/97/265604897.db2.gz CJQFRJJUYKRQKH-UHFFFAOYSA-N 1 1 322.368 3.379 20 5 DGBDMO COc1cccc(NCC[N@@H+](C)Cc2ccccc2)c1[N+](=O)[O-] ZINC000355329736 266040372 /nfs/dbraw/zinc/04/03/72/266040372.db2.gz AHSZSIBTZXAXPI-UHFFFAOYSA-N 1 1 315.373 3.147 20 5 DGBDMO COc1cccc(NC[C@@H](C)[N@H+]2CCC[C@@H](C)C2)c1[N+](=O)[O-] ZINC000355333885 266041865 /nfs/dbraw/zinc/04/18/65/266041865.db2.gz RBBMHMGAQHRXHG-CHWSQXEVSA-N 1 1 307.394 3.136 20 5 DGBDMO CCOC(=O)CC(C)(C)[N@@H+](C)Cc1ccc(C)c([N+](=O)[O-])c1 ZINC000355368606 266053434 /nfs/dbraw/zinc/05/34/34/266053434.db2.gz RHOVCVIRWDJXGO-UHFFFAOYSA-N 1 1 308.378 3.067 20 5 DGBDMO COc1ccc([N+](=O)[O-])cc1C[N@@H+](C[C@H](C)O)C1CCCCC1 ZINC000355396518 266062406 /nfs/dbraw/zinc/06/24/06/266062406.db2.gz YOQXSOPPLLUWLQ-ZDUSSCGKSA-N 1 1 322.405 3.119 20 5 DGBDMO O=[N+]([O-])c1ccccc1/C=C/C[N@H+]1CCOCC2(CCC2)C1 ZINC000355507767 266097845 /nfs/dbraw/zinc/09/78/45/266097845.db2.gz INZDQENAHWFJFO-ZZXKWVIFSA-N 1 1 302.374 3.111 20 5 DGBDMO C[C@H]([NH2+]Cc1c([N+](=O)[O-])ncn1C)c1cc2cccc(F)c2o1 ZINC000355720662 266164948 /nfs/dbraw/zinc/16/49/48/266164948.db2.gz ANGAQMGXQPKOFP-VIFPVBQESA-N 1 1 318.308 3.064 20 5 DGBDMO Cc1ccc([N+](=O)[O-])cc1[C@H](C)[N@@H+](C)C[C@@H]1CCCC[C@@H]1O ZINC000183117320 432259274 /nfs/dbraw/zinc/25/92/74/432259274.db2.gz KFIOFFRPTWZVAM-ZQIUZPCESA-N 1 1 306.406 3.447 20 5 DGBDMO O=[N+]([O-])c1ccc(C[N@H+]2CCC[C@H]2C2CCC2)c([N+](=O)[O-])c1 ZINC000193836597 275035456 /nfs/dbraw/zinc/03/54/56/275035456.db2.gz UJFPJRLLWXUQNQ-AWEZNQCLSA-N 1 1 305.334 3.268 20 5 DGBDMO C[N@H+]1CC[C@@H]2[C@@H](CCCN2c2ccc(Cl)cc2[N+](=O)[O-])C1 ZINC000302788543 277156347 /nfs/dbraw/zinc/15/63/47/277156347.db2.gz XMQGYTSXLRKYLC-WCQYABFASA-N 1 1 309.797 3.169 20 5 DGBDMO CC[C@H](C)C[N@@H+](C)Cc1nnc(-c2ccc([N+](=O)[O-])cc2)o1 ZINC000111255299 431203014 /nfs/dbraw/zinc/20/30/14/431203014.db2.gz OALMKWRFMLBHCI-NSHDSACASA-N 1 1 304.350 3.123 20 5 DGBDMO CC[C@H](C)C[N@@H+](C)CCC(=O)Nc1cc([N+](=O)[O-])ccc1C ZINC000111253943 431205364 /nfs/dbraw/zinc/20/53/64/431205364.db2.gz YSIXXHHEWJLQOH-LBPRGKRZSA-N 1 1 307.394 3.210 20 5 DGBDMO CC1(C)CCC[N@H+](Cc2nc(-c3cccc([N+](=O)[O-])c3)no2)C1 ZINC000112702048 431296620 /nfs/dbraw/zinc/29/66/20/431296620.db2.gz XOWCRVWWVONVNA-UHFFFAOYSA-N 1 1 316.361 3.267 20 5 DGBDMO CC1(C)CCC[N@@H+](Cc2nc(-c3cccc([N+](=O)[O-])c3)no2)C1 ZINC000112702048 431296628 /nfs/dbraw/zinc/29/66/28/431296628.db2.gz XOWCRVWWVONVNA-UHFFFAOYSA-N 1 1 316.361 3.267 20 5 DGBDMO CC(C)C[C@H]1CC[N@@H+](CCC(=O)Nc2ccccc2[N+](=O)[O-])C1 ZINC000072491919 431334492 /nfs/dbraw/zinc/33/44/92/431334492.db2.gz QGHNGZXCJNYWNI-CQSZACIVSA-N 1 1 319.405 3.291 20 5 DGBDMO COC(=O)CC[N@@H+](Cc1ccc(Cl)cc1[N+](=O)[O-])C(C)C ZINC000116280907 431499714 /nfs/dbraw/zinc/49/97/14/431499714.db2.gz GCJXDCMWWJELCN-UHFFFAOYSA-N 1 1 314.769 3.022 20 5 DGBDMO CC[C@H](O)[C@H]1CCCC[N@H+]1Cc1ccc(Cl)cc1[N+](=O)[O-] ZINC000116280293 431500645 /nfs/dbraw/zinc/50/06/45/431500645.db2.gz QRKUXKCYNUUVDF-HIFRSBDPSA-N 1 1 312.797 3.374 20 5 DGBDMO Cc1cccc([N+](=O)[O-])c1NC(=O)C[N@H+](C(C)C)C1CCC1 ZINC000077357535 431587473 /nfs/dbraw/zinc/58/74/73/431587473.db2.gz MPMHUJKBRDJSBB-UHFFFAOYSA-N 1 1 305.378 3.105 20 5 DGBDMO CC[C@@H]1CCCC[N@H+]1Cc1nnc(-c2ccc([N+](=O)[O-])cc2)o1 ZINC000078281835 431652886 /nfs/dbraw/zinc/65/28/86/431652886.db2.gz QTTXDTTUHIXYCJ-CYBMUJFWSA-N 1 1 316.361 3.409 20 5 DGBDMO Cc1cc(C[NH2+][C@@H]2CC(C)(C)c3ccc([N+](=O)[O-])cc32)on1 ZINC000279169610 280492606 /nfs/dbraw/zinc/49/26/06/280492606.db2.gz UQVSHKQPFUZKHD-OAHLLOKOSA-N 1 1 301.346 3.403 20 5 DGBDMO COC(=O)c1cccc(C[N@H+](C)Cc2ccccc2[N+](=O)[O-])c1 ZINC000026347552 431671525 /nfs/dbraw/zinc/67/15/25/431671525.db2.gz ZZWCJOGBURADEP-UHFFFAOYSA-N 1 1 314.341 3.013 20 5 DGBDMO COC(=O)c1cccc(C[N@@H+](C)Cc2ccccc2[N+](=O)[O-])c1 ZINC000026347552 431671531 /nfs/dbraw/zinc/67/15/31/431671531.db2.gz ZZWCJOGBURADEP-UHFFFAOYSA-N 1 1 314.341 3.013 20 5 DGBDMO Cc1c(CN2CC[C@H](C[N@@H+](C)CC3CC3)C2)cccc1[N+](=O)[O-] ZINC000081631229 431800486 /nfs/dbraw/zinc/80/04/86/431800486.db2.gz VLHKICZXKZCAJA-MRXNPFEDSA-N 1 1 317.433 3.067 20 5 DGBDMO CC(C)CCO[C@@H]1CC[N@H+](Cc2c(F)cccc2[N+](=O)[O-])C1 ZINC000083247994 431808435 /nfs/dbraw/zinc/80/84/35/431808435.db2.gz YWKDPGVCZFUXPX-CYBMUJFWSA-N 1 1 310.369 3.371 20 5 DGBDMO CC(C)CCO[C@@H]1CC[N@@H+](Cc2c(F)cccc2[N+](=O)[O-])C1 ZINC000083247994 431808442 /nfs/dbraw/zinc/80/84/42/431808442.db2.gz YWKDPGVCZFUXPX-CYBMUJFWSA-N 1 1 310.369 3.371 20 5 DGBDMO C[C@@H]1CC[C@H](C)[N@@H+]1Cc1nc(-c2cccc([N+](=O)[O-])c2)no1 ZINC000123095666 431855332 /nfs/dbraw/zinc/85/53/32/431855332.db2.gz PLVKYVZJLGATNH-PHIMTYICSA-N 1 1 302.334 3.018 20 5 DGBDMO CC(C)c1[nH+]ccn1Cc1nc(-c2cccc([N+](=O)[O-])c2)no1 ZINC000123691985 431872586 /nfs/dbraw/zinc/87/25/86/431872586.db2.gz YASMAAZLGMEJGV-UHFFFAOYSA-N 1 1 313.317 3.013 20 5 DGBDMO CC(C)(C)C[N@H+](C/C=C/c1ccccc1[N+](=O)[O-])CCCO ZINC000093145982 431913406 /nfs/dbraw/zinc/91/34/06/431913406.db2.gz ZVHPGGSVQJLVOS-RMKNXTFCSA-N 1 1 306.406 3.339 20 5 DGBDMO CC(C)C[C@H]1CCCCC[N@H+]1CCn1cc([N+](=O)[O-])ccc1=O ZINC000090550347 431893242 /nfs/dbraw/zinc/89/32/42/431893242.db2.gz XEIMIWLQXSTBKQ-OAHLLOKOSA-N 1 1 321.421 3.047 20 5 DGBDMO O=[N+]([O-])c1ccc2c(c1)C[N@@H+](Cc1ccc3c[nH]nc3c1)CC2 ZINC000124769863 431904085 /nfs/dbraw/zinc/90/40/85/431904085.db2.gz KGHNZBRLFLTLTB-UHFFFAOYSA-N 1 1 308.341 3.029 20 5 DGBDMO O=[N+]([O-])c1ccc2c(c1)C[N@H+](Cc1ccc3c[nH]nc3c1)CC2 ZINC000124769863 431904089 /nfs/dbraw/zinc/90/40/89/431904089.db2.gz KGHNZBRLFLTLTB-UHFFFAOYSA-N 1 1 308.341 3.029 20 5 DGBDMO Cc1ccc([N+](=O)[O-])c(N2CC[C@@H]3[C@@H](CCC[N@H+]3C3CC3)C2)c1 ZINC000448066073 281013502 /nfs/dbraw/zinc/01/35/02/281013502.db2.gz CEWNTKRVVYPYNV-GOEBONIOSA-N 1 1 315.417 3.356 20 5 DGBDMO C[C@@H](c1ccccn1)[N@@H+](C)CCOc1cccc([N+](=O)[O-])c1 ZINC000127961655 431984344 /nfs/dbraw/zinc/98/43/44/431984344.db2.gz BDDXSEDDVSLJSX-ZDUSSCGKSA-N 1 1 301.346 3.062 20 5 DGBDMO COC[C@H](Cc1ccccc1)[N@@H+](C)Cc1ccccc1[N+](=O)[O-] ZINC000191480340 432269657 /nfs/dbraw/zinc/26/96/57/432269657.db2.gz BWRWIWKWUWAXOA-KRWDZBQOSA-N 1 1 314.385 3.284 20 5 DGBDMO Cc1ccc(C[N@@H+](C)CCOc2ccccc2[N+](=O)[O-])s1 ZINC000102773093 431998260 /nfs/dbraw/zinc/99/82/60/431998260.db2.gz SEZWGDQXQTUPJP-UHFFFAOYSA-N 1 1 306.387 3.476 20 5 DGBDMO CC[N@@H+](CCO)Cc1ccc(-c2ccc([N+](=O)[O-])cc2)s1 ZINC000271013730 432314475 /nfs/dbraw/zinc/31/44/75/432314475.db2.gz QFHQXTBIJKDJCG-UHFFFAOYSA-N 1 1 306.387 3.138 20 5 DGBDMO CC(C)[C@H](c1ccccc1)[N@@H+](C)CCn1cc([N+](=O)[O-])cn1 ZINC000174859549 432374865 /nfs/dbraw/zinc/37/48/65/432374865.db2.gz SQWFONJAPPIKKP-MRXNPFEDSA-N 1 1 302.378 3.120 20 5 DGBDMO C[N@H+]1CCCN(C(=O)c2cc3ccccc3c3cccnc23)CC1 ZINC000192466130 432378057 /nfs/dbraw/zinc/37/80/57/432378057.db2.gz ORMDVLTVKPGPOR-UHFFFAOYSA-N 1 1 319.408 3.166 20 5 DGBDMO CCC[N@@H+](C)C[C@H]1CCN(c2ccc([N+](=O)[O-])c(OCC)c2)C1 ZINC000174917433 432379380 /nfs/dbraw/zinc/37/93/80/432379380.db2.gz DCFFXBVZBFBDSL-CQSZACIVSA-N 1 1 321.421 3.162 20 5 DGBDMO Cn1c2ccc(F)cc2[nH+]c1NCc1ccc([N+](=O)[O-])cc1 ZINC000184253908 432370955 /nfs/dbraw/zinc/37/09/55/432370955.db2.gz MRRKNJVHTPDDAT-UHFFFAOYSA-N 1 1 300.293 3.233 20 5 DGBDMO COC[C@H]([NH2+]C/C=C\c1ccccc1[N+](=O)[O-])c1ccco1 ZINC000255516685 432410962 /nfs/dbraw/zinc/41/09/62/432410962.db2.gz RSVLFVFXGQZLAB-ZBKLQPJUSA-N 1 1 302.330 3.178 20 5 DGBDMO CCOc1ccc([C@@H](C)NCC[N@@H+](CC)C(C)C)cc1[N+](=O)[O-] ZINC000153498309 432414973 /nfs/dbraw/zinc/41/49/73/432414973.db2.gz HNQRQWCNCZWFFN-CQSZACIVSA-N 1 1 323.437 3.374 20 5 DGBDMO CCOc1ccc([C@@H](C)[NH2+]CCN(CC)C(C)C)cc1[N+](=O)[O-] ZINC000153498309 432414975 /nfs/dbraw/zinc/41/49/75/432414975.db2.gz HNQRQWCNCZWFFN-CQSZACIVSA-N 1 1 323.437 3.374 20 5 DGBDMO Cc1[nH]ncc1C[NH2+][C@@H]1CCC[C@H]1Cc1ccccc1[N+](=O)[O-] ZINC000271527022 432415606 /nfs/dbraw/zinc/41/56/06/432415606.db2.gz REVBVLVRRZYFIT-XJKSGUPXSA-N 1 1 314.389 3.127 20 5 DGBDMO CCS[C@@H]1CCCC[N@@H+](C[C@H](O)c2cccc([N+](=O)[O-])c2)C1 ZINC000154239758 432484973 /nfs/dbraw/zinc/48/49/73/432484973.db2.gz RLXFTLXNVFLJTD-CVEARBPZSA-N 1 1 324.446 3.236 20 5 DGBDMO C[C@H]1CC[N@H+](Cc2c(F)cccc2[N+](=O)[O-])C[C@@H]1n1ccnc1 ZINC000156427797 432596075 /nfs/dbraw/zinc/59/60/75/432596075.db2.gz HLYKFCPFXMETMU-LRDDRELGSA-N 1 1 318.352 3.014 20 5 DGBDMO C[C@H]1CC[N@@H+](Cc2c(F)cccc2[N+](=O)[O-])C[C@@H]1n1ccnc1 ZINC000156427797 432596081 /nfs/dbraw/zinc/59/60/81/432596081.db2.gz HLYKFCPFXMETMU-LRDDRELGSA-N 1 1 318.352 3.014 20 5 DGBDMO C[N@H+](Cc1c(F)cccc1[N+](=O)[O-])CC1(O)CCCCCC1 ZINC000187324558 432657600 /nfs/dbraw/zinc/65/76/00/432657600.db2.gz ZKJHJCVKLPMBGQ-UHFFFAOYSA-N 1 1 310.369 3.251 20 5 DGBDMO C[N@@H+](Cc1c(F)cccc1[N+](=O)[O-])CC1(O)CCCCCC1 ZINC000187324558 432657604 /nfs/dbraw/zinc/65/76/04/432657604.db2.gz ZKJHJCVKLPMBGQ-UHFFFAOYSA-N 1 1 310.369 3.251 20 5 DGBDMO C[C@H]1CCCC[N@H+]1C[C@H]1CCCN(c2ncccc2[N+](=O)[O-])C1 ZINC000265105361 432666624 /nfs/dbraw/zinc/66/66/24/432666624.db2.gz YQJYDILQBMOINA-LSDHHAIUSA-N 1 1 318.421 3.081 20 5 DGBDMO CC[C@@]1(CO)CCC[N@H+]([C@@H](C)c2cc([N+](=O)[O-])ccc2C)C1 ZINC000187561353 432670310 /nfs/dbraw/zinc/67/03/10/432670310.db2.gz WFJOLTVUKLTTJV-WMLDXEAASA-N 1 1 306.406 3.449 20 5 DGBDMO COC(=O)C1CC[NH+](Cc2ccc(C(C)C)c([N+](=O)[O-])c2)CC1 ZINC000159209590 432673744 /nfs/dbraw/zinc/67/37/44/432673744.db2.gz HLZPOBIMLWYLAU-UHFFFAOYSA-N 1 1 320.389 3.103 20 5 DGBDMO Cc1cnn([C@H]2CCC[N@H+]([C@@H](C)c3ccccc3[N+](=O)[O-])C2)c1 ZINC000266531621 432762385 /nfs/dbraw/zinc/76/23/85/432762385.db2.gz MICGGSVSNDVOKT-GJZGRUSLSA-N 1 1 314.389 3.498 20 5 DGBDMO Cc1[nH+]ccn1CCCNc1nc2ccccc2cc1[N+](=O)[O-] ZINC000276546889 432817666 /nfs/dbraw/zinc/81/76/66/432817666.db2.gz DUGDYLRUMCRBCR-UHFFFAOYSA-N 1 1 311.345 3.150 20 5 DGBDMO CCc1[nH+]ccn1Cc1ccc(Br)cc1[N+](=O)[O-] ZINC000162476091 432824319 /nfs/dbraw/zinc/82/43/19/432824319.db2.gz POIOWQNZHVECMD-UHFFFAOYSA-N 1 1 310.151 3.165 20 5 DGBDMO CCOc1ccc([C@@H](C)NCC[N@@H+](C)[C@@H](C)CC)cc1[N+](=O)[O-] ZINC000245508731 432837605 /nfs/dbraw/zinc/83/76/05/432837605.db2.gz SNHWJBBYEUQRJJ-UONOGXRCSA-N 1 1 323.437 3.374 20 5 DGBDMO CCOc1ccc([C@@H](C)[NH2+]CCN(C)[C@@H](C)CC)cc1[N+](=O)[O-] ZINC000245508731 432837608 /nfs/dbraw/zinc/83/76/08/432837608.db2.gz SNHWJBBYEUQRJJ-UONOGXRCSA-N 1 1 323.437 3.374 20 5 DGBDMO O=[N+]([O-])c1ccc(Cl)cc1C[N@H+]1CCC2(C1)CCOCC2 ZINC000266966328 432803693 /nfs/dbraw/zinc/80/36/93/432803693.db2.gz ZMZCBNXQRMDTQL-UHFFFAOYSA-N 1 1 310.781 3.251 20 5 DGBDMO O=[N+]([O-])c1ccc(C[N@@H+]2CCC[C@@H]2C[C@@H](O)c2ccco2)cc1 ZINC000268243428 432858327 /nfs/dbraw/zinc/85/83/27/432858327.db2.gz HICYAXLCNRCMDP-HZPDHXFCSA-N 1 1 316.357 3.276 20 5 DGBDMO CC[C@@H]1CC[C@@H](C)[N@H+]1CC(=O)Nc1ccc([N+](=O)[O-])cc1C ZINC000330663199 432924102 /nfs/dbraw/zinc/92/41/02/432924102.db2.gz SSOVXCPFLHQDAJ-CHWSQXEVSA-N 1 1 305.378 3.105 20 5 DGBDMO CC(C)(C)[C@H]1CCC[N@H+]1Cc1nc2cc([N+](=O)[O-])ccc2[nH]1 ZINC000331559034 432948323 /nfs/dbraw/zinc/94/83/23/432948323.db2.gz USTFBANYAIPHNP-CQSZACIVSA-N 1 1 302.378 3.482 20 5 DGBDMO Cc1c(C[N@H+]2CC3(CCC3)[C@@H]2[C@@H]2CCCO2)cccc1[N+](=O)[O-] ZINC000289480031 432964816 /nfs/dbraw/zinc/96/48/16/432964816.db2.gz IEGFXPLJSZLMJI-IRXDYDNUSA-N 1 1 316.401 3.437 20 5 DGBDMO CC[C@@H]1CCC[N@H+]1Cc1nnc(-c2ccc([N+](=O)[O-])cc2)o1 ZINC000341169768 432981835 /nfs/dbraw/zinc/98/18/35/432981835.db2.gz ORLQXNLOTAECJK-GFCCVEGCSA-N 1 1 302.334 3.019 20 5 DGBDMO CC1(C)C[C@@H](O)CC[N@H+](Cc2ccc(Cl)cc2[N+](=O)[O-])C1 ZINC000332206312 432985745 /nfs/dbraw/zinc/98/57/45/432985745.db2.gz DXJKPLFVHAJVIS-ZDUSSCGKSA-N 1 1 312.797 3.231 20 5 DGBDMO CC1(C)C[C@@H](O)CC[N@@H+](Cc2ccc(Cl)cc2[N+](=O)[O-])C1 ZINC000332206312 432985750 /nfs/dbraw/zinc/98/57/50/432985750.db2.gz DXJKPLFVHAJVIS-ZDUSSCGKSA-N 1 1 312.797 3.231 20 5 DGBDMO C[C@H]1C[C@H](Nc2nccc3cc([N+](=O)[O-])ccc32)C[N@H+]1C1CC1 ZINC000297498687 432996847 /nfs/dbraw/zinc/99/68/47/432996847.db2.gz MYGUZHWLXXTTAQ-AAEUAGOBSA-N 1 1 312.373 3.180 20 5 DGBDMO C[N@@H+](CCCCCO)Cc1ccc(-c2ccc([N+](=O)[O-])cc2)o1 ZINC000279357656 432959102 /nfs/dbraw/zinc/95/91/02/432959102.db2.gz GTYTWJKPCVASQK-UHFFFAOYSA-N 1 1 318.373 3.449 20 5 DGBDMO C[C@@H](c1cccc([N+](=O)[O-])c1)[N@H+]1CCC[C@H](c2ccnn2C)C1 ZINC000332377494 433004005 /nfs/dbraw/zinc/00/40/05/433004005.db2.gz YAQFJSCKOOTCSN-ZFWWWQNUSA-N 1 1 314.389 3.269 20 5 DGBDMO CO[C@]1(C)CCC[N@@H+](C/C=C/c2ccccc2[N+](=O)[O-])CC1 ZINC000280146771 433005079 /nfs/dbraw/zinc/00/50/79/433005079.db2.gz DKSSBOFFIAXMLZ-ZGRWHYIRSA-N 1 1 304.390 3.499 20 5 DGBDMO C[N@@H+](CC[C@H](O)c1ccccc1)Cc1ccccc1[N+](=O)[O-] ZINC000290176454 433006536 /nfs/dbraw/zinc/00/65/36/433006536.db2.gz DZXLPGLWNDVMPQ-KRWDZBQOSA-N 1 1 300.358 3.150 20 5 DGBDMO CCOc1cc(C[N@H+]2CCC[C@](C)(OC)CC2)ccc1[N+](=O)[O-] ZINC000280501241 433061495 /nfs/dbraw/zinc/06/14/95/433061495.db2.gz MYKKRCJYIFQWAI-KRWDZBQOSA-N 1 1 322.405 3.385 20 5 DGBDMO C[C@H]1CCCC[N@@H+]1Cc1nc(-c2cccc([N+](=O)[O-])c2)no1 ZINC000298289468 433080052 /nfs/dbraw/zinc/08/00/52/433080052.db2.gz RCRNZSHYBAZKSY-NSHDSACASA-N 1 1 302.334 3.019 20 5 DGBDMO C[C@H]1CCCC[N@H+]1Cc1nc(-c2cccc([N+](=O)[O-])c2)no1 ZINC000298289468 433080058 /nfs/dbraw/zinc/08/00/58/433080058.db2.gz RCRNZSHYBAZKSY-NSHDSACASA-N 1 1 302.334 3.019 20 5 DGBDMO Cc1cc([N+](=O)[O-])ccc1N1CCC[C@H](c2[nH+]ccn2C)C1 ZINC000373055673 433080753 /nfs/dbraw/zinc/08/07/53/433080753.db2.gz FXPZSRSYQIORCR-ZDUSSCGKSA-N 1 1 300.362 3.021 20 5 DGBDMO Cc1ccccc1[C@H](C(C)C)[N@@H+](C)CCn1cc([N+](=O)[O-])cn1 ZINC000350127735 433087145 /nfs/dbraw/zinc/08/71/45/433087145.db2.gz SOYUUMIYZBDNIM-KRWDZBQOSA-N 1 1 316.405 3.429 20 5 DGBDMO Cc1ccc([N+](=O)[O-])c(N2CC[N@H+](C)C[C@@H]2c2ccccc2)c1 ZINC000446891212 433122964 /nfs/dbraw/zinc/12/29/64/433122964.db2.gz VQDXRVYCWGCOON-GOSISDBHSA-N 1 1 311.385 3.396 20 5 DGBDMO CCC[C@@H](C)[N@@H+](C)Cc1nnc(-c2ccc([N+](=O)[O-])cc2)o1 ZINC000298419158 433128109 /nfs/dbraw/zinc/12/81/09/433128109.db2.gz KXFGHFGREGQYIC-LLVKDONJSA-N 1 1 304.350 3.265 20 5 DGBDMO C[C@H](CCc1ccccc1[N+](=O)[O-])[N@H+]1CCC[C@@]2(CCOC2)C1 ZINC000453381867 433141582 /nfs/dbraw/zinc/14/15/82/433141582.db2.gz RKPXZTLEBBCGBK-CRAIPNDOSA-N 1 1 318.417 3.418 20 5 DGBDMO COc1cccnc1C[NH2+][C@H](C)c1cccc([N+](=O)[O-])c1C ZINC000453348510 433111003 /nfs/dbraw/zinc/11/10/03/433111003.db2.gz CPCJTDFHOHLAAV-GFCCVEGCSA-N 1 1 301.346 3.158 20 5 DGBDMO C[NH+](C)C1(CN[C@@H]2CCCc3ccc([N+](=O)[O-])cc32)CCCC1 ZINC000447512462 433207896 /nfs/dbraw/zinc/20/78/96/433207896.db2.gz YLDGFLDUWNIVCA-QGZVFWFLSA-N 1 1 317.433 3.436 20 5 DGBDMO CC(C)n1cncc1C[N@@H+](C)CCc1cccc([N+](=O)[O-])c1 ZINC000425387421 433216949 /nfs/dbraw/zinc/21/69/49/433216949.db2.gz UXQVYOCCYPEFEY-UHFFFAOYSA-N 1 1 302.378 3.047 20 5 DGBDMO CC(C)[C@H]([NH2+]Cc1c([N+](=O)[O-])ncn1C)c1ccccc1Cl ZINC000341865657 433321341 /nfs/dbraw/zinc/32/13/41/433321341.db2.gz JNQZNDKSXJWHIK-AWEZNQCLSA-N 1 1 322.796 3.469 20 5 DGBDMO C[N@H+]1CCCC(C)(C)[C@H]1CNc1ncc([N+](=O)[O-])cc1Cl ZINC000447819159 433287402 /nfs/dbraw/zinc/28/74/02/433287402.db2.gz XJONFAZDGZPAII-GFCCVEGCSA-N 1 1 312.801 3.176 20 5 DGBDMO CC(C)(C)[C@H]1C[N@@H+](CCCOc2ccc([N+](=O)[O-])cc2)CCO1 ZINC000447830809 433292577 /nfs/dbraw/zinc/29/25/77/433292577.db2.gz LNEXJRZJEIZEEQ-MRXNPFEDSA-N 1 1 322.405 3.111 20 5 DGBDMO C[C@H](O)C[C@@H]1CCCC[N@H+]1C/C=C\c1ccccc1[N+](=O)[O-] ZINC000448357012 433389344 /nfs/dbraw/zinc/38/93/44/433389344.db2.gz WOWIBDCKYGTZMQ-YFZPWRCSSA-N 1 1 304.390 3.233 20 5 DGBDMO Cc1ccc(C[N@H+]2CCC3(CCOCC3)[C@H]2C)cc1[N+](=O)[O-] ZINC000375236308 433393444 /nfs/dbraw/zinc/39/34/44/433393444.db2.gz FPONEUSHRVBOEO-CQSZACIVSA-N 1 1 304.390 3.294 20 5 DGBDMO C[C@H]1CCC[N@@H+](CCNc2ccc([N+](=O)[O-])c3cccnc23)C1 ZINC000301058600 433396598 /nfs/dbraw/zinc/39/65/98/433396598.db2.gz BCPLTHXKWWJUGL-ZDUSSCGKSA-N 1 1 314.389 3.287 20 5 DGBDMO C[C@H]1CCC[N@@H+](CCNc2ccc([N+](=O)[O-])c3cnccc23)C1 ZINC000301076039 433407236 /nfs/dbraw/zinc/40/72/36/433407236.db2.gz IVNDFAOIUOFYSC-ZDUSSCGKSA-N 1 1 314.389 3.287 20 5 DGBDMO CC(=O)c1ccc(N[C@@H]2CC[N@H+](C3CCCC3)C2)c([N+](=O)[O-])c1 ZINC000301212569 433456144 /nfs/dbraw/zinc/45/61/44/433456144.db2.gz XPZYMFXZOFZAFR-CQSZACIVSA-N 1 1 317.389 3.226 20 5 DGBDMO COc1cc(NC[C@@H](C)[N@H+]2CCC[C@H](C)C2)ccc1[N+](=O)[O-] ZINC000301327945 433510314 /nfs/dbraw/zinc/51/03/14/433510314.db2.gz AAKPDMOGUHGXHF-QWHCGFSZSA-N 1 1 307.394 3.136 20 5 DGBDMO C[C@@H]1C[N@H+](C/C=C/c2ccccc2[N+](=O)[O-])C[C@H](C2CC2)O1 ZINC000355202701 433533139 /nfs/dbraw/zinc/53/31/39/433533139.db2.gz PSNRKRIKTONBIO-DOUGMWDTSA-N 1 1 302.374 3.107 20 5 DGBDMO C[C@@H]1C[N@@H+](C/C=C/c2ccccc2[N+](=O)[O-])C[C@H](C2CC2)O1 ZINC000355202701 433533141 /nfs/dbraw/zinc/53/31/41/433533141.db2.gz PSNRKRIKTONBIO-DOUGMWDTSA-N 1 1 302.374 3.107 20 5 DGBDMO Cc1c(NC(=O)CC[N@H+]2CC[C@H]3CCC[C@H]32)cccc1[N+](=O)[O-] ZINC000426467608 433507300 /nfs/dbraw/zinc/50/73/00/433507300.db2.gz HIWHRIUIVVVAHR-CZUORRHYSA-N 1 1 317.389 3.106 20 5 DGBDMO Cc1cnc(N[C@@H](C)C[N@@H+]2C[C@H](C)C[C@H](C)C2)c([N+](=O)[O-])c1 ZINC000301428453 433549042 /nfs/dbraw/zinc/54/90/42/433549042.db2.gz HVCACRVLCQHLLQ-MJBXVCDLSA-N 1 1 306.410 3.077 20 5 DGBDMO COc1cc(C[NH2+][C@@H](C)c2cncc(F)c2)c([N+](=O)[O-])cc1F ZINC000362183951 433569482 /nfs/dbraw/zinc/56/94/82/433569482.db2.gz SUEHQNMVIJEZFF-VIFPVBQESA-N 1 1 323.299 3.127 20 5 DGBDMO C[N@H+]1CCC[C@@]2(CCN(Cc3ccc(Cl)cc3[N+](=O)[O-])C2)C1 ZINC000339438921 433587906 /nfs/dbraw/zinc/58/79/06/433587906.db2.gz QWBHRLLQIMMSQA-MRXNPFEDSA-N 1 1 323.824 3.166 20 5 DGBDMO CC[C@H](NCC[N@@H+]1CCC[C@@H](C)C1)c1cccc([N+](=O)[O-])c1 ZINC000342289802 433589493 /nfs/dbraw/zinc/58/94/93/433589493.db2.gz PWHPTVXAPOGMER-PBHICJAKSA-N 1 1 305.422 3.367 20 5 DGBDMO C[C@H](c1ccccc1[N+](=O)[O-])N1CC[C@]2(C1)CCC[N@@H+](C)C2 ZINC000292837383 433597405 /nfs/dbraw/zinc/59/74/05/433597405.db2.gz AYVOLCJXQKSVHM-RHSMWYFYSA-N 1 1 303.406 3.074 20 5 DGBDMO Cc1ccc(C[N@H+]2C[C@H](O)C[C@@H]2c2ccccc2)cc1[N+](=O)[O-] ZINC000414491061 433662046 /nfs/dbraw/zinc/66/20/46/433662046.db2.gz WPAJSZKRBUZXBH-SJLPKXTDSA-N 1 1 312.369 3.211 20 5 DGBDMO CC(C)[C@H]1C[N@@H+](CCOc2ccccc2[N+](=O)[O-])CCS1 ZINC000362385001 433675672 /nfs/dbraw/zinc/67/56/72/433675672.db2.gz PVVMJHDJVCKJJJ-OAHLLOKOSA-N 1 1 310.419 3.047 20 5 DGBDMO O=[N+]([O-])c1ccc(C[N@H+]2CCCC3(CCOCC3)C2)cc1F ZINC000283210508 433688326 /nfs/dbraw/zinc/68/83/26/433688326.db2.gz RYULZPPFHKGZIA-UHFFFAOYSA-N 1 1 308.353 3.127 20 5 DGBDMO Cc1nn(C)cc1[C@@H]1CCC[N@@H+]1Cc1ccc(C)c([N+](=O)[O-])c1 ZINC000362337349 433649608 /nfs/dbraw/zinc/64/96/08/433649608.db2.gz UTSCDKDKYSGYHR-INIZCTEOSA-N 1 1 314.389 3.282 20 5 DGBDMO Cc1nn(C)cc1[C@@H]1CCC[N@H+]1Cc1ccc(C)c([N+](=O)[O-])c1 ZINC000362337349 433649618 /nfs/dbraw/zinc/64/96/18/433649618.db2.gz UTSCDKDKYSGYHR-INIZCTEOSA-N 1 1 314.389 3.282 20 5 DGBDMO Cc1ccc(C[N@@H+]2CCC[C@@H](c3ccnn3C)C2)cc1[N+](=O)[O-] ZINC000367467767 293076616 /nfs/dbraw/zinc/07/66/16/293076616.db2.gz VPVGINLIYCGLSW-OAHLLOKOSA-N 1 1 314.389 3.016 20 5 DGBDMO C[C@H]1[C@H](C)[N@@H+](C)CCN1c1ccc([N+](=O)[O-])c(C(F)(F)F)c1 ZINC000356790681 433699916 /nfs/dbraw/zinc/69/99/16/433699916.db2.gz HRALQHHASCJCDH-UWVGGRQHSA-N 1 1 317.311 3.142 20 5 DGBDMO O=[N+]([O-])c1cc(Cl)cnc1N[C@@H]1CC[N@H+](C2CCCC2)C1 ZINC000301736530 433700213 /nfs/dbraw/zinc/70/02/13/433700213.db2.gz HTKVEVCANKWJHN-LLVKDONJSA-N 1 1 310.785 3.072 20 5 DGBDMO O=[N+]([O-])c1cc(Cl)cnc1N[C@@H]1CC[N@@H+](CC2CCCC2)C1 ZINC000301752611 433707803 /nfs/dbraw/zinc/70/78/03/433707803.db2.gz VPSFUZGILVHQBD-CYBMUJFWSA-N 1 1 324.812 3.320 20 5 DGBDMO C[C@@H]([N@@H+](C)CCC(=O)Nc1ccccc1[N+](=O)[O-])C1(C)CC1 ZINC000283344976 433709794 /nfs/dbraw/zinc/70/97/94/433709794.db2.gz QOHSNWQETXZCMK-GFCCVEGCSA-N 1 1 305.378 3.044 20 5 DGBDMO C[C@H](C(=O)Nc1ccc([N+](=O)[O-])cc1)[N@H+]1CC[C@@H](CC2CC2)C1 ZINC000339683111 433728395 /nfs/dbraw/zinc/72/83/95/433728395.db2.gz MKGQNTDABCFHQK-OCCSQVGLSA-N 1 1 317.389 3.044 20 5 DGBDMO CC(C)CN1CCC([NH2+][C@@H](C)Cc2ccccc2[N+](=O)[O-])CC1 ZINC000449072417 433725707 /nfs/dbraw/zinc/72/57/07/433725707.db2.gz KDBRLDLRDJRAAU-HNNXBMFYSA-N 1 1 319.449 3.236 20 5 DGBDMO Cn1nccc1C1=C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1cccc([N+](=O)[O-])c1 ZINC000283782998 433777531 /nfs/dbraw/zinc/77/75/31/433777531.db2.gz ROIHZRYWMNCZCS-CVEARBPZSA-N 1 1 324.384 3.149 20 5 DGBDMO Cn1nccc1C1=C[C@H]2CC[C@@H](C1)[N@H+]2Cc1cccc([N+](=O)[O-])c1 ZINC000283782998 433777537 /nfs/dbraw/zinc/77/75/37/433777537.db2.gz ROIHZRYWMNCZCS-CVEARBPZSA-N 1 1 324.384 3.149 20 5 DGBDMO CC[N@H+]1CCCC[C@H]1CNc1cc(OC)c([N+](=O)[O-])cc1F ZINC000301919246 433795468 /nfs/dbraw/zinc/79/54/68/433795468.db2.gz IMPIIBJPVPMCJP-NSHDSACASA-N 1 1 311.357 3.029 20 5 DGBDMO C[C@@H]1C[C@H]1[N@H+]1CCN(c2c(Cl)cccc2[N+](=O)[O-])C[C@@H](C)C1 ZINC000432146584 433819249 /nfs/dbraw/zinc/81/92/49/433819249.db2.gz CAUKXDACXNLABM-YWPYICTPSA-N 1 1 323.824 3.415 20 5 DGBDMO C[NH2+]C[C@H](C)CNCc1ccc(-c2ccc([N+](=O)[O-])cc2)s1 ZINC000414836523 433874576 /nfs/dbraw/zinc/87/45/76/433874576.db2.gz JNZDDJGUICYZHU-LBPRGKRZSA-N 1 1 319.430 3.268 20 5 DGBDMO C[C@@H](C1CCC1)[N@@H+](C)Cc1nnc(-c2ccc([N+](=O)[O-])cc2)o1 ZINC000357030933 433835053 /nfs/dbraw/zinc/83/50/53/433835053.db2.gz YJCWKHVNRDCFIH-NSHDSACASA-N 1 1 316.361 3.265 20 5 DGBDMO Cc1cc([N+](=O)[O-])cc(Cl)c1N1CC[C@@H](c2[nH+]ccn2C)C1 ZINC000376114937 293615780 /nfs/dbraw/zinc/61/57/80/293615780.db2.gz NMXUNHRNVFOPCH-LLVKDONJSA-N 1 1 320.780 3.284 20 5 DGBDMO CCC(N)(CC)C[NH2+][C@H]1CCC[C@H]1Cc1ccccc1[N+](=O)[O-] ZINC000414812816 433855374 /nfs/dbraw/zinc/85/53/74/433855374.db2.gz RXICCJOOQJQHQK-HOCLYGCPSA-N 1 1 319.449 3.413 20 5 DGBDMO C[C@@H](N[C@H]1CC[N@H+](C2CCCC2)C1)c1cccc([N+](=O)[O-])c1 ZINC000362895626 433898852 /nfs/dbraw/zinc/89/88/52/433898852.db2.gz BLVWHPFMOOTGJO-HIFRSBDPSA-N 1 1 303.406 3.262 20 5 DGBDMO C[C@@H]([NH2+][C@H]1CCN(C2CCCC2)C1)c1cccc([N+](=O)[O-])c1 ZINC000362895626 433898857 /nfs/dbraw/zinc/89/88/57/433898857.db2.gz BLVWHPFMOOTGJO-HIFRSBDPSA-N 1 1 303.406 3.262 20 5 DGBDMO [NH3+][C@@H]1CCC[C@@H](NCc2ccc(-c3ccccc3[N+](=O)[O-])o2)C1 ZINC000414933991 433922829 /nfs/dbraw/zinc/92/28/29/433922829.db2.gz XNPPUKBLCFURAV-CHWSQXEVSA-N 1 1 315.373 3.214 20 5 DGBDMO C[C@H](CNc1c2c(ccc1[N+](=O)[O-])NCC2)[N@H+]1CCC[C@@H](C)C1 ZINC000302855898 433885745 /nfs/dbraw/zinc/88/57/45/433885745.db2.gz RXCNUQLWUBJTHU-CHWSQXEVSA-N 1 1 318.421 3.095 20 5 DGBDMO CC(C)[C@]1(CO)CC[N@@H+](Cc2ccc(Cl)cc2[N+](=O)[O-])C1 ZINC000377654253 433942857 /nfs/dbraw/zinc/94/28/57/433942857.db2.gz QVCNXGZCYAIVHV-OAHLLOKOSA-N 1 1 312.797 3.089 20 5 DGBDMO C[C@H](C(=O)Nc1cccc([N+](=O)[O-])c1)[N@H+]1CCC[C@H](C)CC1 ZINC000357391297 433986987 /nfs/dbraw/zinc/98/69/87/433986987.db2.gz OHFVQGVUQNWOCJ-QWHCGFSZSA-N 1 1 305.378 3.044 20 5 DGBDMO C[C@@H](C(=O)Nc1cccc([N+](=O)[O-])c1)[N@H+]1CCC[C@@H](C)CC1 ZINC000357391295 433989390 /nfs/dbraw/zinc/98/93/90/433989390.db2.gz OHFVQGVUQNWOCJ-OLZOCXBDSA-N 1 1 305.378 3.044 20 5 DGBDMO O=[N+]([O-])c1cccc(F)c1N[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000303394435 433937825 /nfs/dbraw/zinc/93/78/25/433937825.db2.gz SLYQFKBLZHOHPW-AWEZNQCLSA-N 1 1 315.348 3.420 20 5 DGBDMO C[C@@H]1[C@H](Nc2ccc([N+](=O)[O-])nc2)CC[N@H+]1Cc1ccccc1 ZINC000309759453 434096597 /nfs/dbraw/zinc/09/65/97/434096597.db2.gz XRAHVTNRGKDLPR-CZUORRHYSA-N 1 1 312.373 3.065 20 5 DGBDMO CC(C)C[C@@H](C)C[N@H+]1CC[C@H](Nc2ccc([N+](=O)[O-])cn2)C1 ZINC000499537078 294087327 /nfs/dbraw/zinc/08/73/27/294087327.db2.gz HLJSACTVYVQROX-KGLIPLIRSA-N 1 1 306.410 3.158 20 5 DGBDMO C[NH+](C)[C@H](c1nc(-c2cccc([N+](=O)[O-])c2)no1)c1ccccc1 ZINC000504259325 294212065 /nfs/dbraw/zinc/21/20/65/294212065.db2.gz HNHLYOMOZYBEMN-HNNXBMFYSA-N 1 1 324.340 3.296 20 5 DGBDMO O=[N+]([O-])c1cccc(C[N@H+]2CC[C@@H](COc3ccccc3)C2)c1 ZINC000505820793 294255256 /nfs/dbraw/zinc/25/52/56/294255256.db2.gz UYLVWANTDAMZHK-MRXNPFEDSA-N 1 1 312.369 3.496 20 5 DGBDMO O=[N+]([O-])c1ccccc1C[N@H+]1CC[C@H](COc2ccccc2)C1 ZINC000505841551 294256126 /nfs/dbraw/zinc/25/61/26/294256126.db2.gz WWUJFNINWSXAGM-HNNXBMFYSA-N 1 1 312.369 3.496 20 5 DGBDMO COc1cc(C[N@H+]2CCC[C@H]2C(C)C)c([N+](=O)[O-])cc1OC ZINC000507115304 294282430 /nfs/dbraw/zinc/28/24/30/294282430.db2.gz GIBDZXLTGFDADN-ZDUSSCGKSA-N 1 1 308.378 3.232 20 5 DGBDMO CCCCC[NH2+][C@@H](c1nccn1C)c1cccc([N+](=O)[O-])c1 ZINC000353439096 434130377 /nfs/dbraw/zinc/13/03/77/434130377.db2.gz HQQDNPKJUKNPAA-OAHLLOKOSA-N 1 1 302.378 3.198 20 5 DGBDMO Cc1ccc(C[N@@H+](C)CCCC(=O)OC(C)(C)C)cc1[N+](=O)[O-] ZINC000353454656 434140440 /nfs/dbraw/zinc/14/04/40/434140440.db2.gz LEXLDRMJICAYBB-UHFFFAOYSA-N 1 1 322.405 3.457 20 5 DGBDMO Cc1c(NC(=O)CC[N@H+]2CC3CCC2CC3)cccc1[N+](=O)[O-] ZINC000378384357 434161106 /nfs/dbraw/zinc/16/11/06/434161106.db2.gz NJGQYWLAJSFINJ-UHFFFAOYSA-N 1 1 317.389 3.106 20 5 DGBDMO CC[N@H+]1C[C@@H](C)N(Cc2ccc(Cl)cc2[N+](=O)[O-])C[C@H]1C ZINC000346172637 434168884 /nfs/dbraw/zinc/16/88/84/434168884.db2.gz GCULEHSXYRPXEC-VXGBXAGGSA-N 1 1 311.813 3.163 20 5 DGBDMO CCC[N@@H+](CC)C[C@@H](C)Nc1ncnc2sc([N+](=O)[O-])cc21 ZINC000357772828 434171035 /nfs/dbraw/zinc/17/10/35/434171035.db2.gz DAMZGUJUOUBSKY-SNVBAGLBSA-N 1 1 323.422 3.132 20 5 DGBDMO C[C@@H]1[C@@H](Nc2nccc3c2cccc3[N+](=O)[O-])CCC[N@H+]1C ZINC000450442727 434184096 /nfs/dbraw/zinc/18/40/96/434184096.db2.gz TYYSXBGPMXKPOH-RISCZKNCSA-N 1 1 300.362 3.038 20 5 DGBDMO CC(C)c1ccc(CN[C@@H]2CC[N@H+]3CCC[C@@H]3C2)cc1[N+](=O)[O-] ZINC000363924818 434188400 /nfs/dbraw/zinc/18/84/00/434188400.db2.gz SVOOSLGBIUJELK-HZPDHXFCSA-N 1 1 317.433 3.435 20 5 DGBDMO CCO[C@@H]1C[C@H]([N@@H+](C)CCc2ccc([N+](=O)[O-])cc2)C12CCC2 ZINC000357814918 434196181 /nfs/dbraw/zinc/19/61/81/434196181.db2.gz UXPLTLICFBVODW-DLBZAZTESA-N 1 1 318.417 3.417 20 5 DGBDMO C[N@@H+](Cc1cccc([N+](=O)[O-])c1)[C@H](CO)c1ccc(Cl)cc1 ZINC000295098613 434198940 /nfs/dbraw/zinc/19/89/40/434198940.db2.gz SKBKCDRNPPFZPS-MRXNPFEDSA-N 1 1 320.776 3.414 20 5 DGBDMO CC[C@@H](CO)[N@@H+](C)Cc1ccc(-c2ccc([N+](=O)[O-])cc2)o1 ZINC000295104684 434200063 /nfs/dbraw/zinc/20/00/63/434200063.db2.gz KWPUESJAROIDKD-ZDUSSCGKSA-N 1 1 304.346 3.058 20 5 DGBDMO Cc1ccc([C@H](C)[NH2+]CC2(N(C)C)CCCC2)cc1[N+](=O)[O-] ZINC000318030552 434208634 /nfs/dbraw/zinc/20/86/34/434208634.db2.gz FJJURXXBFUXUSX-AWEZNQCLSA-N 1 1 305.422 3.428 20 5 DGBDMO CC[C@@H](NC1C[C@H]2CC[C@@H](C1)[N@H+]2C)c1cccc([N+](=O)[O-])c1 ZINC000322820729 434261937 /nfs/dbraw/zinc/26/19/37/434261937.db2.gz CEKNZHNLJBETCJ-UCMJJCQDSA-N 1 1 303.406 3.261 20 5 DGBDMO CC[C@@H](NC1C[C@H]2CC[C@@H](C1)[N@@H+]2C)c1cccc([N+](=O)[O-])c1 ZINC000322820729 434261947 /nfs/dbraw/zinc/26/19/47/434261947.db2.gz CEKNZHNLJBETCJ-UCMJJCQDSA-N 1 1 303.406 3.261 20 5 DGBDMO C[NH+](C)Cc1ccc(NC(=O)c2ccc([N+](=O)[O-])o2)cc1Cl ZINC000357969343 434268548 /nfs/dbraw/zinc/26/85/48/434268548.db2.gz PNFZZFMZZIIPNW-UHFFFAOYSA-N 1 1 323.736 3.155 20 5 DGBDMO COc1cc([N+](=O)[O-])ccc1C[NH2+]C(C)(C)c1c(C)noc1C ZINC000353552503 434221557 /nfs/dbraw/zinc/22/15/57/434221557.db2.gz YDJBUYVWTSNLKR-UHFFFAOYSA-N 1 1 319.361 3.233 20 5 DGBDMO O=[N+]([O-])c1ccc(NC[C@@H]2CC[N@H+](C3CC3)C2)c2ncccc12 ZINC000320045060 434233147 /nfs/dbraw/zinc/23/31/47/434233147.db2.gz RMQCPLACRFZKMC-LBPRGKRZSA-N 1 1 312.373 3.039 20 5 DGBDMO CCOc1ccc([C@H](C)N[C@H](C)[C@@H]2CCC[NH2+]C2)cc1[N+](=O)[O-] ZINC000423213889 434292396 /nfs/dbraw/zinc/29/23/96/434292396.db2.gz KMGDNEBAAAPCHI-GZBFAFLISA-N 1 1 321.421 3.032 20 5 DGBDMO CCC[C@@H]([NH2+]Cc1snnc1C)c1cccc([N+](=O)[O-])c1 ZINC000384198967 434292522 /nfs/dbraw/zinc/29/25/22/434292522.db2.gz ZMZGQHUXBURCFR-CYBMUJFWSA-N 1 1 306.391 3.386 20 5 DGBDMO CC[C@@H]1CCC[N@H+]1CCC(=O)Nc1ccc([N+](=O)[O-])cc1C ZINC000340683829 434297312 /nfs/dbraw/zinc/29/73/12/434297312.db2.gz WJVJQXYRJNCLFX-CYBMUJFWSA-N 1 1 305.378 3.106 20 5 DGBDMO Cn1ccnc1[C@@H]([NH2+][C@@H]1CC=CCC1)c1cccc([N+](=O)[O-])c1 ZINC000353642176 434297661 /nfs/dbraw/zinc/29/76/61/434297661.db2.gz GQUNHTAWHVPLPY-ZBFHGGJFSA-N 1 1 312.373 3.116 20 5 DGBDMO CCOc1cc(NCC[N@@H+](C)C2CCCC2)ccc1[N+](=O)[O-] ZINC000387121799 434316759 /nfs/dbraw/zinc/31/67/59/434316759.db2.gz ZCQZZUNSXJWUTR-UHFFFAOYSA-N 1 1 307.394 3.280 20 5 DGBDMO C[NH+](C)[C@@H](CN[C@@H]1CCCCc2ccc([N+](=O)[O-])cc21)C1CC1 ZINC000417345106 434362074 /nfs/dbraw/zinc/36/20/74/434362074.db2.gz SZXQXAMBDPGBRH-MSOLQXFVSA-N 1 1 317.433 3.292 20 5 DGBDMO C[NH+](C)[C@H](CN[C@H]1CCCCc2ccc([N+](=O)[O-])cc21)C1CC1 ZINC000417345109 434363087 /nfs/dbraw/zinc/36/30/87/434363087.db2.gz SZXQXAMBDPGBRH-ZWKOTPCHSA-N 1 1 317.433 3.292 20 5 DGBDMO Cc1ccc(C[N@@H+]2CCCCC[C@H]2C[C@@H](C)O)cc1[N+](=O)[O-] ZINC000348550219 434393519 /nfs/dbraw/zinc/39/35/19/434393519.db2.gz SNIPWOQZONHTEB-ZBFHGGJFSA-N 1 1 306.406 3.419 20 5 DGBDMO CC(C)OCCC[N@H+](C)Cc1ccc([N+](=O)[O-])cc1Cl ZINC000360018204 434476764 /nfs/dbraw/zinc/47/67/64/434476764.db2.gz TTZLCSHRLMWHNM-UHFFFAOYSA-N 1 1 300.786 3.495 20 5 DGBDMO CC(C)OCCC[N@@H+](C)Cc1ccc([N+](=O)[O-])cc1Cl ZINC000360018204 434476770 /nfs/dbraw/zinc/47/67/70/434476770.db2.gz TTZLCSHRLMWHNM-UHFFFAOYSA-N 1 1 300.786 3.495 20 5 DGBDMO C[C@H]([NH2+]Cc1c([N+](=O)[O-])ncn1C)c1ccc2c(c1)CCCC2 ZINC000341018475 434489697 /nfs/dbraw/zinc/48/96/97/434489697.db2.gz REYKFJJFDKXEAD-LBPRGKRZSA-N 1 1 314.389 3.058 20 5 DGBDMO CC(C)[N@H+]1CC[C@H](N(C)c2ccc([N+](=O)[O-])c3cnccc32)C1 ZINC000450948977 434500310 /nfs/dbraw/zinc/50/03/10/434500310.db2.gz IHOSTGSOONQEIM-ZDUSSCGKSA-N 1 1 314.389 3.062 20 5 DGBDMO CC[N@H+]1C[C@H](C)N(C/C=C/c2ccccc2[N+](=O)[O-])C[C@@H]1C ZINC000353817031 434453639 /nfs/dbraw/zinc/45/36/39/434453639.db2.gz GBRUIBYOUVSINY-LADOHOGBSA-N 1 1 303.406 3.023 20 5 DGBDMO CO[C@@H](C)C[N@@H+](C)Cc1ccc(-c2cccc([N+](=O)[O-])c2)o1 ZINC000348838982 434520231 /nfs/dbraw/zinc/52/02/31/434520231.db2.gz SHDIPFYCDYPEBZ-LBPRGKRZSA-N 1 1 304.346 3.322 20 5 DGBDMO Cc1nc(N2CCC[C@H]([N@@H+]3[C@H](C)CC[C@@H]3C)C2)ccc1[N+](=O)[O-] ZINC000408284365 434558883 /nfs/dbraw/zinc/55/88/83/434558883.db2.gz XQVZBNGDAXIJHH-GUTXKFCHSA-N 1 1 318.421 3.140 20 5 DGBDMO Cc1ccc([N+](=O)[O-])c(N2CCC[C@H]([N@@H+]3[C@H](C)CC[C@@H]3C)C2)n1 ZINC000408341859 434564379 /nfs/dbraw/zinc/56/43/79/434564379.db2.gz TYTKIWUGOURHBR-ZNMIVQPWSA-N 1 1 318.421 3.140 20 5 DGBDMO CO[C@H]1C[C@H]([N@@H+](C)CCc2ccc([N+](=O)[O-])cc2)C12CCC2 ZINC000451849989 434578422 /nfs/dbraw/zinc/57/84/22/434578422.db2.gz LFHJVGOXBKKIAU-HOTGVXAUSA-N 1 1 304.390 3.027 20 5 DGBDMO COc1cc(C[N@H+]2C[C@H](C)[C@@H](C)[C@@H]2C)c([N+](=O)[O-])cc1OC ZINC000418111650 434589038 /nfs/dbraw/zinc/58/90/38/434589038.db2.gz AEONYIMINBFNKC-TUAOUCFPSA-N 1 1 308.378 3.088 20 5 DGBDMO C[C@H]1CCC(C)(C)[N@H+]1Cc1nc(-c2ccc([N+](=O)[O-])cc2)no1 ZINC000452014249 434583036 /nfs/dbraw/zinc/58/30/36/434583036.db2.gz UBCPIIVNLLBCEZ-NSHDSACASA-N 1 1 316.361 3.408 20 5 DGBDMO C[NH+](C)C1(CNCc2ccc(-c3cccc([N+](=O)[O-])c3)o2)CC1 ZINC000418116093 434593510 /nfs/dbraw/zinc/59/35/10/434593510.db2.gz QMWKBKJSJIXENF-UHFFFAOYSA-N 1 1 315.373 3.039 20 5 DGBDMO C/C(=C\c1cccc([N+](=O)[O-])c1)C[N@@H+](C)CCCn1ccnc1 ZINC000349383880 434698328 /nfs/dbraw/zinc/69/83/28/434698328.db2.gz MSRVHJAWZLHYAT-RVDMUPIBSA-N 1 1 314.389 3.217 20 5 DGBDMO CC[N@H+]1CC[C@H](N(C)Cc2c(F)cccc2[N+](=O)[O-])C[C@@H]1C ZINC000354209182 434671418 /nfs/dbraw/zinc/67/14/18/434671418.db2.gz QKLQGUPHZSMKGD-STQMWFEESA-N 1 1 309.385 3.039 20 5 DGBDMO C[C@@H]1CC[N@@H+](Cc2ccc(-c3ccccc3[N+](=O)[O-])o2)C[C@H]1O ZINC000349341333 434680952 /nfs/dbraw/zinc/68/09/52/434680952.db2.gz AUXJEGYZGFBMDZ-MLGOLLRUSA-N 1 1 316.357 3.058 20 5 DGBDMO C[C@@H]([NH2+]Cc1cc(C(F)(F)F)n[nH]1)c1cccc([N+](=O)[O-])c1 ZINC000440810269 434747504 /nfs/dbraw/zinc/74/75/04/434747504.db2.gz OWNMXBLWSLUCTB-MRVPVSSYSA-N 1 1 314.267 3.188 20 5 DGBDMO CCOc1ccc([N+](=O)[O-])cc1C[N@H+](C)Cc1ccc(O)cc1 ZINC000349388595 434702072 /nfs/dbraw/zinc/70/20/72/434702072.db2.gz ZQLOBXSULQFPEK-UHFFFAOYSA-N 1 1 316.357 3.331 20 5 DGBDMO CCOc1ccc([N+](=O)[O-])cc1C[N@@H+](C)Cc1ccc(O)cc1 ZINC000349388595 434702078 /nfs/dbraw/zinc/70/20/78/434702078.db2.gz ZQLOBXSULQFPEK-UHFFFAOYSA-N 1 1 316.357 3.331 20 5 DGBDMO O=[N+]([O-])c1ccc(C[N@H+]2CCC[C@H](C[C@@H]3CCOC3)C2)cc1 ZINC000371442630 434705154 /nfs/dbraw/zinc/70/51/54/434705154.db2.gz KBWUVKNVTNVGOW-CVEARBPZSA-N 1 1 304.390 3.233 20 5 DGBDMO C[C@H](C[N@@H+](C)Cc1ccc([N+](=O)[O-])cc1)C(=O)OC(C)(C)C ZINC000459770161 434708584 /nfs/dbraw/zinc/70/85/84/434708584.db2.gz MPXBDKQMNSSZKF-GFCCVEGCSA-N 1 1 308.378 3.004 20 5 DGBDMO CCC(C)(C)[C@@H]1CCC[N@H+]1CC(=O)Nc1ccccc1[N+](=O)[O-] ZINC000441660337 434766539 /nfs/dbraw/zinc/76/65/39/434766539.db2.gz IFXGVWUCFDKYMQ-HNNXBMFYSA-N 1 1 319.405 3.434 20 5 DGBDMO CC[C@H]1CC[C@@H](C)[N@H+]1CCC(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000411445369 434781449 /nfs/dbraw/zinc/78/14/49/434781449.db2.gz OSXCWWMAXMPNIA-OCCSQVGLSA-N 1 1 305.378 3.186 20 5 DGBDMO CC[C@@H]1CC[C@H](C)[N@H+]1CCC(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000411445364 434782156 /nfs/dbraw/zinc/78/21/56/434782156.db2.gz OSXCWWMAXMPNIA-GXTWGEPZSA-N 1 1 305.378 3.186 20 5 DGBDMO C[C@H](C(=O)Nc1ccccc1[N+](=O)[O-])[N@H+]1CC(C)(C)C[C@@H]1C ZINC000412050174 434862027 /nfs/dbraw/zinc/86/20/27/434862027.db2.gz XQWNREFHQJVKJV-NWDGAFQWSA-N 1 1 305.378 3.042 20 5 DGBDMO C[C@@H](C(=O)Nc1ccccc1[N+](=O)[O-])[N@H+]1CC(C)(C)C[C@@H]1C ZINC000412050175 434862730 /nfs/dbraw/zinc/86/27/30/434862730.db2.gz XQWNREFHQJVKJV-RYUDHWBXSA-N 1 1 305.378 3.042 20 5 DGBDMO CC(C)c1ccc(CN2CC[N@@H+](C)[C@@H](C)[C@H]2C)cc1[N+](=O)[O-] ZINC000361168359 434821243 /nfs/dbraw/zinc/82/12/43/434821243.db2.gz SISGJSIQKRZVNE-UONOGXRCSA-N 1 1 305.422 3.243 20 5 DGBDMO Cc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@@H+]1CC(C)(C)C[C@@H]1C ZINC000412037482 434858179 /nfs/dbraw/zinc/85/81/79/434858179.db2.gz HTMKGPITFUUNEU-ZDUSSCGKSA-N 1 1 319.405 3.352 20 5 DGBDMO CCn1ccnc1[C@H](C)[NH2+][C@H]1CCc2c1cccc2[N+](=O)[O-] ZINC000521370515 434881370 /nfs/dbraw/zinc/88/13/70/434881370.db2.gz WEQWYIUBUOCKDR-FZMZJTMJSA-N 1 1 300.362 3.149 20 5 DGBDMO CCCC[C@@H](C)[N@@H+](C)CC(=O)Nc1cc([N+](=O)[O-])ccc1C ZINC000521693306 434892849 /nfs/dbraw/zinc/89/28/49/434892849.db2.gz KFCURZAIXJXIFZ-CYBMUJFWSA-N 1 1 307.394 3.352 20 5 DGBDMO Cc1cc(N2CC[C@H](C[N@@H+](C)CC3CC3)C2)c(F)cc1[N+](=O)[O-] ZINC000461964800 434894844 /nfs/dbraw/zinc/89/48/44/434894844.db2.gz LBKLRROUYFWRKS-CQSZACIVSA-N 1 1 321.396 3.210 20 5 DGBDMO Cc1cc(N[C@@H]2CC[N@H+](C3CCCC3)C2)c(F)cc1[N+](=O)[O-] ZINC000461968685 434896142 /nfs/dbraw/zinc/89/61/42/434896142.db2.gz BMOBYNKTIQJJSW-GFCCVEGCSA-N 1 1 307.369 3.471 20 5 DGBDMO CC(C)c1ccc(C[N@H+](C)[C@@H]2CCN(C)C[C@@H]2C)cc1[N+](=O)[O-] ZINC000573486990 434903196 /nfs/dbraw/zinc/90/31/96/434903196.db2.gz DIIXBUDLWRORBA-WMLDXEAASA-N 1 1 319.449 3.490 20 5 DGBDMO CC(C)c1ccc(C[N@@H+](C)[C@@H]2CCN(C)C[C@@H]2C)cc1[N+](=O)[O-] ZINC000573486990 434903197 /nfs/dbraw/zinc/90/31/97/434903197.db2.gz DIIXBUDLWRORBA-WMLDXEAASA-N 1 1 319.449 3.490 20 5 DGBDMO C[N@@H+](CCOc1ccccc1F)CCc1ccc([N+](=O)[O-])cc1 ZINC000523701615 434958239 /nfs/dbraw/zinc/95/82/39/434958239.db2.gz JWYXHRPDXAVNKO-UHFFFAOYSA-N 1 1 318.348 3.287 20 5 DGBDMO COCc1ccc(C[NH2+]C(C)(C)c2ccccc2[N+](=O)[O-])o1 ZINC000492402631 434975264 /nfs/dbraw/zinc/97/52/64/434975264.db2.gz YBXJCAHUHPKHMB-UHFFFAOYSA-N 1 1 304.346 3.359 20 5 DGBDMO CCOc1cc(C[N@H+]2CCCC[C@@H]2[C@@H](O)CC)ccc1[N+](=O)[O-] ZINC000492462280 434988142 /nfs/dbraw/zinc/98/81/42/434988142.db2.gz MMUZAWLYBJHHDY-ZBFHGGJFSA-N 1 1 322.405 3.119 20 5 DGBDMO CC[C@@H]1C[N@@H+](CCCOc2ccc([N+](=O)[O-])cc2)CCS1 ZINC000464787430 435002473 /nfs/dbraw/zinc/00/24/73/435002473.db2.gz AMWFHQUGMZFPNO-OAHLLOKOSA-N 1 1 310.419 3.191 20 5 DGBDMO CC[C@H]1C[N@@H+](CCCOc2ccc([N+](=O)[O-])cc2)CCS1 ZINC000464787429 435003137 /nfs/dbraw/zinc/00/31/37/435003137.db2.gz AMWFHQUGMZFPNO-HNNXBMFYSA-N 1 1 310.419 3.191 20 5 DGBDMO CCC[C@@]1(C)CCC[N@H+](CC(=O)Nc2ccccc2[N+](=O)[O-])C1 ZINC000464845349 435006428 /nfs/dbraw/zinc/00/64/28/435006428.db2.gz FDJVDTUJTKUXBY-KRWDZBQOSA-N 1 1 319.405 3.436 20 5 DGBDMO CCC[C@@]1(C)CCC[N@@H+](CC(=O)Nc2ccccc2[N+](=O)[O-])C1 ZINC000464845349 435006431 /nfs/dbraw/zinc/00/64/31/435006431.db2.gz FDJVDTUJTKUXBY-KRWDZBQOSA-N 1 1 319.405 3.436 20 5 DGBDMO COc1ccc(C[N@H+]2CC[C@H]2Cc2ccccc2)cc1[N+](=O)[O-] ZINC000531233360 435079522 /nfs/dbraw/zinc/07/95/22/435079522.db2.gz HDSNHZDXYXUISJ-INIZCTEOSA-N 1 1 312.369 3.420 20 5 DGBDMO CO[C@]1(C)CCC[N@@H+](C/C(C)=C\c2cccc([N+](=O)[O-])c2)C1 ZINC000475278322 435187214 /nfs/dbraw/zinc/18/72/14/435187214.db2.gz IOCDLDFPKAMOGW-OOXMNIKJSA-N 1 1 304.390 3.499 20 5 DGBDMO CO[C@]1(C)CCC[N@@H+](C/C(C)=C/c2cccc([N+](=O)[O-])c2)C1 ZINC000475278321 435188321 /nfs/dbraw/zinc/18/83/21/435188321.db2.gz IOCDLDFPKAMOGW-IDKBZEPQSA-N 1 1 304.390 3.499 20 5 DGBDMO C/C(=C\c1cccc([N+](=O)[O-])c1)CN[C@H](C)C[NH+]1CCCCC1 ZINC000579854302 435188773 /nfs/dbraw/zinc/18/87/73/435188773.db2.gz UJFUZLBTZLTJRK-RBFDBLARSA-N 1 1 317.433 3.462 20 5 DGBDMO CC(C)[N@H+](Cc1cc([N+](=O)[O-])cc2c1OCOC2)CC1CC1 ZINC000533495390 435240995 /nfs/dbraw/zinc/24/09/95/435240995.db2.gz VYGZGRPBXCCSLE-UHFFFAOYSA-N 1 1 306.362 3.082 20 5 DGBDMO COc1ccc(C[N@@H+](C)CCc2ccccc2[N+](=O)[O-])cc1F ZINC000511137157 435316763 /nfs/dbraw/zinc/31/67/63/435316763.db2.gz BWLSTXBKNGTXEZ-UHFFFAOYSA-N 1 1 318.348 3.417 20 5 DGBDMO COc1ccc(F)cc1C[N@@H+](C)CCc1ccccc1[N+](=O)[O-] ZINC000511062243 435313618 /nfs/dbraw/zinc/31/36/18/435313618.db2.gz CYQVZLYITAIAFN-UHFFFAOYSA-N 1 1 318.348 3.417 20 5 DGBDMO C[C@@H]1C[C@H](C)[N@@H+](Cc2coc(-c3ccc([N+](=O)[O-])cc3)n2)C1 ZINC000536363788 435378056 /nfs/dbraw/zinc/37/80/56/435378056.db2.gz SADWVVJRDNQZPT-NEPJUHHUSA-N 1 1 301.346 3.480 20 5 DGBDMO CC(C)c1ccc(C[N@@H+](C)CC2(O)CCCC2)cc1[N+](=O)[O-] ZINC000537623405 435456858 /nfs/dbraw/zinc/45/68/58/435456858.db2.gz CMOQAKVKIFNESS-UHFFFAOYSA-N 1 1 306.406 3.455 20 5 DGBDMO CC[C@H]1C[C@H](C)C[N@H+]1Cc1cc(OC)c(OC)cc1[N+](=O)[O-] ZINC000538725757 435517358 /nfs/dbraw/zinc/51/73/58/435517358.db2.gz VKUQJYFVYRRINF-AAEUAGOBSA-N 1 1 308.378 3.232 20 5 DGBDMO CC(C)[N@@H+](CCCc1cncn1C)Cc1ccc([N+](=O)[O-])cc1 ZINC000568898006 435482533 /nfs/dbraw/zinc/48/25/33/435482533.db2.gz HQZUNILJHLDYGX-UHFFFAOYSA-N 1 1 316.405 3.172 20 5 DGBDMO CCCC[N@@H+](C)C[C@@H](C)NC(=O)Nc1cc([N+](=O)[O-])ccc1C ZINC000568918185 435485533 /nfs/dbraw/zinc/48/55/33/435485533.db2.gz BVACDOPXUKSZNX-CYBMUJFWSA-N 1 1 322.409 3.145 20 5 DGBDMO CCCC[N@@H+](C)C[C@@H](C)Nc1ccc(C(C)=O)cc1[N+](=O)[O-] ZINC000569047036 435496546 /nfs/dbraw/zinc/49/65/46/435496546.db2.gz QFEHOEWEKYCGGB-GFCCVEGCSA-N 1 1 307.394 3.330 20 5 DGBDMO O=[N+]([O-])c1ccc(CC[N@H+]2CCC[C@H]2[C@@H]2CCCOC2)cc1 ZINC000570276844 435604750 /nfs/dbraw/zinc/60/47/50/435604750.db2.gz USTAUSXPWMTUEP-WBVHZDCISA-N 1 1 304.390 3.028 20 5 DGBDMO CC(C)C[C@H](CN[C@@H]1CCc2c1cccc2[N+](=O)[O-])[NH+](C)C ZINC000571225186 435688867 /nfs/dbraw/zinc/68/88/67/435688867.db2.gz VSTZGLRUAQBCOI-CZUORRHYSA-N 1 1 305.422 3.148 20 5 DGBDMO COc1ccc(F)cc1C[N@@H+](C)CCc1cccc([N+](=O)[O-])c1 ZINC000549174386 435749365 /nfs/dbraw/zinc/74/93/65/435749365.db2.gz ZMTREGFPOQIUPA-UHFFFAOYSA-N 1 1 318.348 3.417 20 5 DGBDMO COc1cc([N+](=O)[O-])ccc1C[N@H+](Cc1ccccn1)C(C)C ZINC000572314381 435809075 /nfs/dbraw/zinc/80/90/75/435809075.db2.gz CXRSKAVCNOCNFO-UHFFFAOYSA-N 1 1 315.373 3.409 20 5 DGBDMO COc1cc([N+](=O)[O-])ccc1C[N@@H+](Cc1ccccn1)C(C)C ZINC000572314381 435809082 /nfs/dbraw/zinc/80/90/82/435809082.db2.gz CXRSKAVCNOCNFO-UHFFFAOYSA-N 1 1 315.373 3.409 20 5 DGBDMO Cn1cnc([N+](=O)[O-])c1C[N@@H+]1CC(C)(C)C[C@@H]1c1ccccc1 ZINC000425543457 303019215 /nfs/dbraw/zinc/01/92/15/303019215.db2.gz PLOSLEYUISIWDR-CQSZACIVSA-N 1 1 314.389 3.302 20 5 DGBDMO Cn1cnc([N+](=O)[O-])c1C[N@H+]1CC(C)(C)C[C@@H]1c1ccccc1 ZINC000425543457 303019218 /nfs/dbraw/zinc/01/92/18/303019218.db2.gz PLOSLEYUISIWDR-CQSZACIVSA-N 1 1 314.389 3.302 20 5 DGBDMO O=[N+]([O-])c1ccc2c(c1)[C@@H]([NH2+]Cc1ncccc1F)CCC2 ZINC000530366092 313362112 /nfs/dbraw/zinc/36/21/12/313362112.db2.gz GSRMABJNTYWCRN-HNNXBMFYSA-N 1 1 301.321 3.296 20 5 DGBDMO Cc1cccc([N+](=O)[O-])c1NC(=O)C[N@H+]1CC[C@@H](C(C)(C)C)C1 ZINC000543248057 314124125 /nfs/dbraw/zinc/12/41/25/314124125.db2.gz OFTAOEUVRVZOEA-CYBMUJFWSA-N 1 1 319.405 3.210 20 5 DGBDMO CC(C)(C)[C@H]1CC[N@@H+](Cc2cc([N+](=O)[O-])cc3c2OCOC3)C1 ZINC000544193274 314180148 /nfs/dbraw/zinc/18/01/48/314180148.db2.gz HJNXJHVNCXLHIS-AWEZNQCLSA-N 1 1 320.389 3.329 20 5 DGBDMO C[C@@H]1C[C@H](Nc2ccc([N+](=O)[O-])cc2OC(F)F)CC[N@H+]1C ZINC000545474545 314253518 /nfs/dbraw/zinc/25/35/18/314253518.db2.gz LWDBONUVOMQSCS-NXEZZACHSA-N 1 1 315.320 3.091 20 5 DGBDMO C[C@@H]([NH3+])C[C@@H](C)NCc1ccc(-c2ccccc2[N+](=O)[O-])o1 ZINC000564973732 315216289 /nfs/dbraw/zinc/21/62/89/315216289.db2.gz PUBLCMIQVWXOIN-VXGBXAGGSA-N 1 1 303.362 3.070 20 5 DGBDMO CN1CC[N@@H+](CCc2ccc([N+](=O)[O-])cc2)CC12CCCCC2 ZINC000566424786 315344212 /nfs/dbraw/zinc/34/42/12/315344212.db2.gz QDGWBDYZIZVZMC-UHFFFAOYSA-N 1 1 317.433 3.088 20 5 DGBDMO C[N@H+]1CCN(CCc2ccc([N+](=O)[O-])cc2)CC12CCCCC2 ZINC000566424786 315344217 /nfs/dbraw/zinc/34/42/17/315344217.db2.gz QDGWBDYZIZVZMC-UHFFFAOYSA-N 1 1 317.433 3.088 20 5 DGBDMO C[C@@H]1Cc2[nH+]cn(Cc3ccc(F)cc3[N+](=O)[O-])c2C[C@@H]1C ZINC000570176308 315631097 /nfs/dbraw/zinc/63/10/97/315631097.db2.gz LVOYMSVSMHJDES-MNOVXSKESA-N 1 1 303.337 3.350 20 5 DGBDMO CCCC[N@@H+](C)C[C@H](C)N[C@H]1CCc2c1cccc2[N+](=O)[O-] ZINC000580569878 324014405 /nfs/dbraw/zinc/01/44/05/324014405.db2.gz ILNHPVXAFCURRB-BBRMVZONSA-N 1 1 305.422 3.292 20 5 DGBDMO CCCCN(C)C[C@H](C)[NH2+][C@H]1CCc2c1cccc2[N+](=O)[O-] ZINC000580569878 324014408 /nfs/dbraw/zinc/01/44/08/324014408.db2.gz ILNHPVXAFCURRB-BBRMVZONSA-N 1 1 305.422 3.292 20 5 DGBDMO C[N@@H+](CCN[C@@H]1CCc2c1cccc2[N+](=O)[O-])C1CCCC1 ZINC000581142093 324079738 /nfs/dbraw/zinc/07/97/38/324079738.db2.gz JBVQPTUNRBQHGK-MRXNPFEDSA-N 1 1 303.406 3.046 20 5 DGBDMO CN(CC[NH2+][C@@H]1CCc2c1cccc2[N+](=O)[O-])C1CCCC1 ZINC000581142093 324079742 /nfs/dbraw/zinc/07/97/42/324079742.db2.gz JBVQPTUNRBQHGK-MRXNPFEDSA-N 1 1 303.406 3.046 20 5 DGBDMO CC(C)[N@@H+](Cc1ccc([N+](=O)[O-])cc1)Cc1ncccc1O ZINC000583348520 324341805 /nfs/dbraw/zinc/34/18/05/324341805.db2.gz SVRGCZYERKVSSF-UHFFFAOYSA-N 1 1 301.346 3.106 20 5 DGBDMO C[C@@H](C[N@@H+](C)Cc1ccccc1)NCc1csc([N+](=O)[O-])c1 ZINC000309648035 533745522 /nfs/dbraw/zinc/74/55/22/533745522.db2.gz DOOIRFJXDCQTRH-ZDUSSCGKSA-N 1 1 319.430 3.266 20 5 DGBDMO C[C@@H](CN(C)Cc1ccccc1)[NH2+]Cc1csc([N+](=O)[O-])c1 ZINC000309648035 533745527 /nfs/dbraw/zinc/74/55/27/533745527.db2.gz DOOIRFJXDCQTRH-ZDUSSCGKSA-N 1 1 319.430 3.266 20 5 DGBDMO CS[C@@H]1CC[N@@H+](Cc2cc([N+](=O)[O-])ccc2OC(C)C)C1 ZINC000331302313 533979505 /nfs/dbraw/zinc/97/95/05/533979505.db2.gz FDRIPGXZOKVHIO-CQSZACIVSA-N 1 1 310.419 3.319 20 5 DGBDMO O=C(CC[N@@H+]1C[C@@H]2CCCC[C@@H]2C1)Nc1ccc([N+](=O)[O-])cc1 ZINC000177523379 534417071 /nfs/dbraw/zinc/41/70/71/534417071.db2.gz LPYJQFFPRGVKDO-OKILXGFUSA-N 1 1 317.389 3.045 20 5 DGBDMO CCCC[N@@H+](CCCO)Cc1ccc([N+](=O)[O-])cc1Cl ZINC000182457292 520505266 /nfs/dbraw/zinc/50/52/66/520505266.db2.gz KHOPJWFJFBINBJ-UHFFFAOYSA-N 1 1 300.786 3.233 20 5 DGBDMO Cc1[nH+]ccn1-c1ccc(CNc2sccc2[N+](=O)[O-])cn1 ZINC000302008118 534766834 /nfs/dbraw/zinc/76/68/34/534766834.db2.gz WXVHTSHXUMHOFE-UHFFFAOYSA-N 1 1 315.358 3.158 20 5 DGBDMO CC1=CC[N@@H+](CCNc2ccc([N+](=O)[O-])c3cccnc23)CC1 ZINC000302140476 528119198 /nfs/dbraw/zinc/11/91/98/528119198.db2.gz GSJSDRUINWWOSW-UHFFFAOYSA-N 1 1 312.373 3.207 20 5 DGBDMO CCC[N@H+]1CC[C@@H](CNc2nccc3ccc([N+](=O)[O-])cc32)C1 ZINC000413077044 528254550 /nfs/dbraw/zinc/25/45/50/528254550.db2.gz URWAROJCZIHRQR-ZDUSSCGKSA-N 1 1 314.389 3.287 20 5 DGBDMO CCCCN(CC)C(=O)C[NH2+]C(C)(C)c1ccccc1[N+](=O)[O-] ZINC000429250670 528385667 /nfs/dbraw/zinc/38/56/67/528385667.db2.gz YLKSWQKUGHVFGQ-UHFFFAOYSA-N 1 1 321.421 3.068 20 5 DGBDMO CCC[C@]1(COC)CCC[N@H+]1Cc1ccc([N+](=O)[O-])cc1OC ZINC000430236833 528526844 /nfs/dbraw/zinc/52/68/44/528526844.db2.gz BYLDHZOAKIILOR-QGZVFWFLSA-N 1 1 322.405 3.385 20 5 DGBDMO CC[N@@H+](Cc1ccc(-c2ccccc2[N+](=O)[O-])o1)[C@H](C)CO ZINC000292854840 528770042 /nfs/dbraw/zinc/77/00/42/528770042.db2.gz UPDLQZBHBFVCGZ-GFCCVEGCSA-N 1 1 304.346 3.058 20 5 DGBDMO CC(C)[C@@]1(CO)CCC[N@H+]([C@@H](C)c2ccccc2[N+](=O)[O-])C1 ZINC000292966106 528894614 /nfs/dbraw/zinc/89/46/14/528894614.db2.gz GDAYVSXCZOQASA-YOEHRIQHSA-N 1 1 306.406 3.386 20 5 DGBDMO CC1(C)CCC[N@@H+](Cc2cc([N+](=O)[O-])cc3c2OCOC3)CC1 ZINC000172915785 528938422 /nfs/dbraw/zinc/93/84/22/528938422.db2.gz HPWDTHKRORQIHD-UHFFFAOYSA-N 1 1 320.389 3.473 20 5 DGBDMO CC[N@H+]1CCC[C@@H](Nc2ccc([N+](=O)[O-])c3ncccc23)C1 ZINC000316640450 529058328 /nfs/dbraw/zinc/05/83/28/529058328.db2.gz OLXNGSNNKYJPFQ-GFCCVEGCSA-N 1 1 300.362 3.039 20 5 DGBDMO CC[C@H]1CCC[N@@H+](CCOc2ccc(OC)cc2[N+](=O)[O-])CC1 ZINC000441395067 529217116 /nfs/dbraw/zinc/21/71/16/529217116.db2.gz NCOJGNWPMBOBCY-AWEZNQCLSA-N 1 1 322.405 3.494 20 5 DGBDMO CC[N@H+](C/C(C)=C\c1cccc([N+](=O)[O-])c1)C[C@H]1CCCO1 ZINC000470174693 535765024 /nfs/dbraw/zinc/76/50/24/535765024.db2.gz MRXWRHQUXQVIFQ-OOXMNIKJSA-N 1 1 304.390 3.499 20 5 DGBDMO CCn1nccc1C[N@H+]1CCC[C@@H](c2ccc([N+](=O)[O-])cc2)C1 ZINC000449505879 535867686 /nfs/dbraw/zinc/86/76/86/535867686.db2.gz YEWHHZFOVYVFDB-OAHLLOKOSA-N 1 1 314.389 3.191 20 5 DGBDMO COC[C@H]1CCC[N@@H+](C/C(C)=C\c2cccc([N+](=O)[O-])c2)C1 ZINC000470171633 536521555 /nfs/dbraw/zinc/52/15/55/536521555.db2.gz MQTPJASTMXHSBC-MBSJSRAVSA-N 1 1 304.390 3.357 20 5 DGBDMO O=[N+]([O-])c1ccc(C[N@H+]2CCC[C@H](c3cc[nH]n3)C2)c(Cl)c1 ZINC000182073406 546162938 /nfs/dbraw/zinc/16/29/38/546162938.db2.gz FHNRCRBMAOEZFH-LBPRGKRZSA-N 1 1 320.780 3.351 20 5 DGBDMO C[N@@H+](CCCOc1ccc([N+](=O)[O-])cc1)Cc1ccccc1 ZINC000197281091 574603769 /nfs/dbraw/zinc/60/37/69/574603769.db2.gz ANEMODDCDUAMTF-UHFFFAOYSA-N 1 1 300.358 3.496 20 5 DGBDMO O=[N+]([O-])c1ccc(Cl)c(C[N@@H+]2CCC[C@@H](n3ccnc3)C2)c1 ZINC000735492715 574704259 /nfs/dbraw/zinc/70/42/59/574704259.db2.gz SDMYVRZCDIGOTO-CQSZACIVSA-N 1 1 320.780 3.282 20 5 DGBDMO O=[N+]([O-])c1ccc(Cl)c(C[N@H+]2CCC[C@@H](n3ccnc3)C2)c1 ZINC000735492715 574704262 /nfs/dbraw/zinc/70/42/62/574704262.db2.gz SDMYVRZCDIGOTO-CQSZACIVSA-N 1 1 320.780 3.282 20 5 DGBDMO COc1ccc(C[NH2+]Cc2c(C)cccc2F)cc1[N+](=O)[O-] ZINC000742381072 574994516 /nfs/dbraw/zinc/99/45/16/574994516.db2.gz VVSKAYKXYKZSAA-UHFFFAOYSA-N 1 1 304.321 3.341 20 5 DGBDMO COc1cc(C[NH2+]Cc2c(C)cccc2F)c([N+](=O)[O-])cc1O ZINC000742380504 574994806 /nfs/dbraw/zinc/99/48/06/574994806.db2.gz NCGCZBOTTMBWTE-UHFFFAOYSA-N 1 1 320.320 3.046 20 5 DGBDMO CC(C)C[C@H]1CC[N@@H+](Cn2ncc3ccc([N+](=O)[O-])cc32)C1 ZINC000744436932 575342102 /nfs/dbraw/zinc/34/21/02/575342102.db2.gz BXUPEBZPHOJHBS-CYBMUJFWSA-N 1 1 302.378 3.270 20 5 DGBDMO CC[C@H]1CCC[N@@H+](Cn2nc(C)c3cc([N+](=O)[O-])cnc32)CC1 ZINC000749956589 575691986 /nfs/dbraw/zinc/69/19/86/575691986.db2.gz XIDBYQTZZGEXCX-ZDUSSCGKSA-N 1 1 317.393 3.118 20 5 DGBDMO CC[C@]1(C)CCC[N@@H+](Cn2nc(C)c3cc([N+](=O)[O-])cnc32)C1 ZINC000749960234 575693031 /nfs/dbraw/zinc/69/30/31/575693031.db2.gz NSMOQHFVVKQWHB-MRXNPFEDSA-N 1 1 317.393 3.118 20 5 DGBDMO Cc1ccc(C[N@@H+](C[C@@H](O)c2cccc([N+](=O)[O-])c2)C2CC2)o1 ZINC000750039693 575699238 /nfs/dbraw/zinc/69/92/38/575699238.db2.gz IYWMYTYMOMHBJO-QGZVFWFLSA-N 1 1 316.357 3.194 20 5 DGBDMO CC(C)[C@@H]1CCC[N@@H+](C[C@@H](O)c2cccc([N+](=O)[O-])c2)CC1 ZINC000750075561 575702150 /nfs/dbraw/zinc/70/21/50/575702150.db2.gz KQCIRMJIJVIXLF-RHSMWYFYSA-N 1 1 306.406 3.386 20 5 DGBDMO CO[C@]1(C)C[C@H]([N@@H+](C)Cc2cc(F)ccc2[N+](=O)[O-])C1(C)C ZINC000752074876 575821088 /nfs/dbraw/zinc/82/10/88/575821088.db2.gz JAAQRYQMUOTFNT-GOEBONIOSA-N 1 1 310.369 3.369 20 5 DGBDMO CCC[N@@H+](CC)CCNc1nc2ccc([N+](=O)[O-])cc2s1 ZINC000747228048 576020552 /nfs/dbraw/zinc/02/05/52/576020552.db2.gz TUFAKWBDYLLFRU-UHFFFAOYSA-N 1 1 308.407 3.348 20 5 DGBDMO O=C(C[N@H+]1CCC[C@@H]1C1CC1)Nc1ccc(Cl)c([N+](=O)[O-])c1 ZINC000728572204 576189132 /nfs/dbraw/zinc/18/91/32/576189132.db2.gz YPLUOPQHOGPSEY-CYBMUJFWSA-N 1 1 323.780 3.061 20 5 DGBDMO C[C@H]([N@@H+](C)Cn1cc([N+](=O)[O-])c(-c2ccccn2)n1)C(C)(C)C ZINC000853489639 620701179 /nfs/dbraw/zinc/70/11/79/620701179.db2.gz GJBDAYCMUAWNOJ-LBPRGKRZSA-N 1 1 317.393 3.177 20 5 DGBDMO Cc1nn(C[N@H+]2CC[C@H](C3CCCCC3)C2)c(C)c1[N+](=O)[O-] ZINC000853554897 620709532 /nfs/dbraw/zinc/70/95/32/620709532.db2.gz PFPSVILQFAEXOM-HNNXBMFYSA-N 1 1 306.410 3.268 20 5 DGBDMO Cc1nn(C[N@H+](C)[C@@H](C)C2(C)CC2)c2cc([N+](=O)[O-])ccc12 ZINC000121249426 617604772 /nfs/dbraw/zinc/60/47/72/617604772.db2.gz DZIRSHFCVASHCH-LBPRGKRZSA-N 1 1 302.378 3.331 20 5 DGBDMO CN(CCC[N@@H+](C)Cc1ccco1)c1cccc(F)c1[N+](=O)[O-] ZINC000804840181 617699310 /nfs/dbraw/zinc/69/93/10/617699310.db2.gz BCXWKAGAZNTIBQ-UHFFFAOYSA-N 1 1 321.352 3.285 20 5 DGBDMO C[C@@H]1CC[C@H](C)[N@@H+]1[C@@H]1CCCN(c2ccc([N+](=O)[O-])cc2)C1 ZINC000919721972 620763079 /nfs/dbraw/zinc/76/30/79/620763079.db2.gz IFBCTGXJOUFJFJ-JKIFEVAISA-N 1 1 303.406 3.436 20 5 DGBDMO C[N@@H+](CCc1ccccc1[N+](=O)[O-])Cc1ccc(O)c(F)c1 ZINC000894390859 618304230 /nfs/dbraw/zinc/30/42/30/618304230.db2.gz LTZGSXXLWFBQRV-UHFFFAOYSA-N 1 1 304.321 3.114 20 5 DGBDMO Cc1n[nH]c(C[N@H+]2CCC[C@@H](c3ccc([N+](=O)[O-])cc3)C2)c1C ZINC000894899924 618493833 /nfs/dbraw/zinc/49/38/33/618493833.db2.gz CNLIDYDIECLVEW-OAHLLOKOSA-N 1 1 314.389 3.314 20 5 DGBDMO COc1ccnc([C@@H](C)[NH2+][C@@H](C)c2ccccc2[N+](=O)[O-])c1 ZINC000925693576 618532478 /nfs/dbraw/zinc/53/24/78/618532478.db2.gz PONSEIKCWDHWQL-NWDGAFQWSA-N 1 1 301.346 3.410 20 5 DGBDMO C[C@@H]1CC[N@@H+](Cc2ccc(-c3cccc([N+](=O)[O-])c3)o2)CCO1 ZINC000896583784 618930262 /nfs/dbraw/zinc/93/02/62/618930262.db2.gz GSZOGLIJQJSKBW-CYBMUJFWSA-N 1 1 316.357 3.466 20 5 DGBDMO CC(C)N1CCC([NH2+]C[C@H](C)c2ccccc2[N+](=O)[O-])CC1 ZINC000897463943 619130553 /nfs/dbraw/zinc/13/05/53/619130553.db2.gz CZCSFGDKJWTEGW-AWEZNQCLSA-N 1 1 305.422 3.161 20 5 DGBDMO O=[N+]([O-])c1ccc2oc(C[NH2+][C@@H](c3ccncc3)C3CC3)nc2c1 ZINC000898322239 619233142 /nfs/dbraw/zinc/23/31/42/619233142.db2.gz ZYLWMCIQENRJAQ-QGZVFWFLSA-N 1 1 324.340 3.372 20 5 DGBDMO CCNc1ccccc1C[NH2+]Cc1cc([N+](=O)[O-])ccc1OC ZINC000902195069 619601162 /nfs/dbraw/zinc/60/11/62/619601162.db2.gz KPSQAPQQASFZHH-UHFFFAOYSA-N 1 1 315.373 3.325 20 5 DGBDMO CC[C@@H]([NH2+][C@H](c1nncn1C)C(C)C)c1cccc([N+](=O)[O-])c1 ZINC000903061592 619708078 /nfs/dbraw/zinc/70/80/78/619708078.db2.gz ORJRCLLZDAAZMW-CABCVRRESA-N 1 1 317.393 3.161 20 5 DGBDMO COc1cc([C@@H](C)[NH2+][C@@H](CO)c2ccsc2)cc([N+](=O)[O-])c1 ZINC000903153313 619726067 /nfs/dbraw/zinc/72/60/67/619726067.db2.gz REZFDWJYPJPVIG-BMIGLBTASA-N 1 1 322.386 3.049 20 5 DGBDMO CCc1noc(C)c1C[NH2+][C@@H](C)c1cc(OC)cc([N+](=O)[O-])c1 ZINC000903175496 619730129 /nfs/dbraw/zinc/73/01/29/619730129.db2.gz TXGPIQKKSSBYGR-JTQLQIEISA-N 1 1 319.361 3.313 20 5 DGBDMO COc1cc([C@@H](C)[NH2+][C@H](C)c2nccnc2C)cc([N+](=O)[O-])c1 ZINC000903216759 619740383 /nfs/dbraw/zinc/74/03/83/619740383.db2.gz HXUCNIBVPURUCZ-ZYHUDNBSSA-N 1 1 316.361 3.114 20 5 DGBDMO C[C@@H](C[NH2+][C@H]1CCCc2[nH]ncc21)c1ccccc1[N+](=O)[O-] ZINC000903244878 619743721 /nfs/dbraw/zinc/74/37/21/619743721.db2.gz FWPNTXCRAGLOID-FZMZJTMJSA-N 1 1 300.362 3.089 20 5 DGBDMO Cc1ccc([N+](=O)[O-])c(C)c1C[NH2+]Cc1cc(C2CC2)n(C)n1 ZINC000922954755 621137113 /nfs/dbraw/zinc/13/71/13/621137113.db2.gz ITYXFLAFPVTMBG-UHFFFAOYSA-N 1 1 314.389 3.112 20 5 DGBDMO CC(=O)c1ccc([N+](=O)[O-])cc1NC[C@H]1CC[N@H+]1C1CCCC1 ZINC000858781599 621220738 /nfs/dbraw/zinc/22/07/38/621220738.db2.gz UCLHMJPMWFPBHN-OAHLLOKOSA-N 1 1 317.389 3.226 20 5 DGBDMO COCCC1CC[NH+](Cc2ccc(Cl)c([N+](=O)[O-])c2)CC1 ZINC000859400486 621274879 /nfs/dbraw/zinc/27/48/79/621274879.db2.gz JMTSQXXTLHJEMO-UHFFFAOYSA-N 1 1 312.797 3.497 20 5 DGBDMO C[C@]12CCCC[C@H]1C[N@@H+]2Cc1ccc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000860048048 621358203 /nfs/dbraw/zinc/35/82/03/621358203.db2.gz NQWXYDQVAWGFGA-WFASDCNBSA-N 1 1 305.334 3.268 20 5 DGBDMO C[C@]12CCCC[C@H]1C[N@H+]2Cc1ccc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000860048048 621358206 /nfs/dbraw/zinc/35/82/06/621358206.db2.gz NQWXYDQVAWGFGA-WFASDCNBSA-N 1 1 305.334 3.268 20 5 DGBDMO C/C=C/C[C@@H]1CCC[N@@H+](C[C@H](O)c2ccc([N+](=O)[O-])cc2)C1 ZINC000860183110 621378640 /nfs/dbraw/zinc/37/86/40/621378640.db2.gz GHIRGEAQJGUFEA-YXQAPJRESA-N 1 1 304.390 3.306 20 5 DGBDMO CC[N@@H+](CCNc1cccc(F)c1[N+](=O)[O-])CCC(F)(F)F ZINC000755041434 621548498 /nfs/dbraw/zinc/54/84/98/621548498.db2.gz OTXPLYYWHKUOJM-UHFFFAOYSA-N 1 1 323.290 3.420 20 5 DGBDMO Cc1c(F)nccc1C[NH2+]C(C)(C)c1ccccc1[N+](=O)[O-] ZINC000862374216 621580957 /nfs/dbraw/zinc/58/09/57/621580957.db2.gz KHXFOBMQAQQCEK-UHFFFAOYSA-N 1 1 303.337 3.462 20 5 DGBDMO CCC(O)(CC)C[N@@H+](C)Cc1ccc([N+](=O)[O-])c(Cl)c1 ZINC000862539090 621598437 /nfs/dbraw/zinc/59/84/37/621598437.db2.gz HSRTYZGZHLMIIZ-UHFFFAOYSA-N 1 1 300.786 3.231 20 5 DGBDMO CCC[C@H]1CCC[N@@H+](Cn2ncc3cc([N+](=O)[O-])ccc32)C1 ZINC000757615488 621728544 /nfs/dbraw/zinc/72/85/44/621728544.db2.gz RXSNIKNEOHPNFU-ZDUSSCGKSA-N 1 1 302.378 3.414 20 5 DGBDMO CC[N@@H+](C)C[C@H]1CCN(c2ccc([N+](=O)[O-])cc2C(F)F)C1 ZINC000865571772 621954055 /nfs/dbraw/zinc/95/40/55/621954055.db2.gz VRNZIZNDBIEUFS-LLVKDONJSA-N 1 1 313.348 3.310 20 5 DGBDMO CC[N@@H+](C)C[C@@H]1CCN(c2ccc([N+](=O)[O-])cc2C(F)F)C1 ZINC000865571774 621954118 /nfs/dbraw/zinc/95/41/18/621954118.db2.gz VRNZIZNDBIEUFS-NSHDSACASA-N 1 1 313.348 3.310 20 5 DGBDMO Cn1c[nH+]cc1CCNc1c(Cl)c(Cl)ccc1[N+](=O)[O-] ZINC000865669661 621974988 /nfs/dbraw/zinc/97/49/88/621974988.db2.gz HYTUNHOFDSTNLX-UHFFFAOYSA-N 1 1 315.160 3.290 20 5 DGBDMO C[N@H+]1CCN(c2nccc3cc([N+](=O)[O-])ccc32)CCC1(C)C ZINC000866113271 622048065 /nfs/dbraw/zinc/04/80/65/622048065.db2.gz XSLFKXFXUNWTEU-UHFFFAOYSA-N 1 1 314.389 3.064 20 5 DGBDMO C[N@H+]1CC[C@H]2CN(c3ccc(C(F)F)cc3[N+](=O)[O-])CC[C@@H]21 ZINC000866206240 622066174 /nfs/dbraw/zinc/06/61/74/622066174.db2.gz CSQIRPRLJAKIEP-RYUDHWBXSA-N 1 1 311.332 3.063 20 5 DGBDMO C[N@H+]1CC[C@H]2CN(c3ccc([N+](=O)[O-])cc3C(F)F)CC[C@H]21 ZINC000866209817 622066933 /nfs/dbraw/zinc/06/69/33/622066933.db2.gz VVBZOYWYIKJWBY-GXFFZTMASA-N 1 1 311.332 3.063 20 5 DGBDMO Cc1nn(C[N@@H+]2CCCCC[C@@H]2C)c2ccc([N+](=O)[O-])cc12 ZINC000765017018 622239991 /nfs/dbraw/zinc/23/99/91/622239991.db2.gz XKUSTLZJRSMJRV-LBPRGKRZSA-N 1 1 302.378 3.475 20 5 DGBDMO CC[C@@H]1C[C@H](C)C[N@H+]1Cn1nc(C)c2cc([N+](=O)[O-])ccc21 ZINC000765058719 622243218 /nfs/dbraw/zinc/24/32/18/622243218.db2.gz XIQNDJXCTJBZNQ-WCQYABFASA-N 1 1 302.378 3.331 20 5 DGBDMO Cc1nn(C[NH+]2CCC(C(F)F)CC2)c2ccc([N+](=O)[O-])cc12 ZINC000765145974 622249459 /nfs/dbraw/zinc/24/94/59/622249459.db2.gz MLNRXDZXYVPRAW-UHFFFAOYSA-N 1 1 324.331 3.188 20 5 DGBDMO CCC1(CC)C[N@@H+](C[C@@H](O)c2ccc([N+](=O)[O-])cc2)CCS1 ZINC000766990119 622366770 /nfs/dbraw/zinc/36/67/70/622366770.db2.gz GOEKCRHJVKERIX-OAHLLOKOSA-N 1 1 324.446 3.236 20 5 DGBDMO CCC1(CC)C[N@@H+](C[C@H](O)c2cccc([N+](=O)[O-])c2)CCS1 ZINC000766991068 622366904 /nfs/dbraw/zinc/36/69/04/622366904.db2.gz UCOMHURQKDTMBC-HNNXBMFYSA-N 1 1 324.446 3.236 20 5 DGBDMO CN(Cc1ccc(C[NH+](C)C)cc1)Cc1cccc([N+](=O)[O-])c1 ZINC000768338068 622450908 /nfs/dbraw/zinc/45/09/08/622450908.db2.gz YKPAJTVYPCROJV-UHFFFAOYSA-N 1 1 313.401 3.288 20 5 DGBDMO OC[C@@H]1C[N@@H+](Cc2c3ccccc3cc3ccccc32)CCO1 ZINC000769397595 622524338 /nfs/dbraw/zinc/52/43/38/622524338.db2.gz PHWJNRPGFPCZBW-KRWDZBQOSA-N 1 1 307.393 3.186 20 5 DGBDMO C[C@@H]([NH2+]C[C@@H](O)c1ccccc1F)c1c(F)cccc1[N+](=O)[O-] ZINC000872024472 622758331 /nfs/dbraw/zinc/75/83/31/622758331.db2.gz SGVXDBXCUOZZTM-MEBBXXQBSA-N 1 1 322.311 3.257 20 5 DGBDMO C[C@H](N[C@H]1CC[N@H+]2CCC[C@H]2C1)c1c(F)cccc1[N+](=O)[O-] ZINC000872025218 622758760 /nfs/dbraw/zinc/75/87/60/622758760.db2.gz IKUVZCXBDHZCGR-AVGNSLFASA-N 1 1 307.369 3.011 20 5 DGBDMO CSc1ccc([N+](=O)[O-])cc1[C@@H](C)[NH2+]C[C@H](C1CC1)N(C)C ZINC000872025622 622758972 /nfs/dbraw/zinc/75/89/72/622758972.db2.gz QENHOPVRSHPAJT-IAQYHMDHSA-N 1 1 323.462 3.308 20 5 DGBDMO CSc1ccc([N+](=O)[O-])cc1[C@@H](C)N[C@@H]1CC[N@@H+](C2CC2)C1 ZINC000872033440 622765132 /nfs/dbraw/zinc/76/51/32/622765132.db2.gz HHSMTKYNQSJPDD-VXGBXAGGSA-N 1 1 321.446 3.204 20 5 DGBDMO CSc1ccc([N+](=O)[O-])cc1[C@@H](C)N[C@@H]1CC[N@H+](C2CC2)C1 ZINC000872033440 622765136 /nfs/dbraw/zinc/76/51/36/622765136.db2.gz HHSMTKYNQSJPDD-VXGBXAGGSA-N 1 1 321.446 3.204 20 5 DGBDMO CSc1ccc([N+](=O)[O-])cc1[C@H](C)N[C@H]1CC[N@@H+](C)[C@@H](C)C1 ZINC000872037671 622767535 /nfs/dbraw/zinc/76/75/35/622767535.db2.gz DOWYLZSLNPONGP-AVGNSLFASA-N 1 1 323.462 3.450 20 5 DGBDMO CSc1ccc([N+](=O)[O-])cc1[C@H](C)[NH2+][C@H]1CCN(C)[C@@H](C)C1 ZINC000872037671 622767542 /nfs/dbraw/zinc/76/75/42/622767542.db2.gz DOWYLZSLNPONGP-AVGNSLFASA-N 1 1 323.462 3.450 20 5 DGBDMO CSc1ccc([N+](=O)[O-])cc1[C@H](C)N[C@@H]1CC[N@@H+](C)[C@@H](C)C1 ZINC000872037673 622767810 /nfs/dbraw/zinc/76/78/10/622767810.db2.gz DOWYLZSLNPONGP-RWMBFGLXSA-N 1 1 323.462 3.450 20 5 DGBDMO CSc1ccc([N+](=O)[O-])cc1[C@H](C)[NH2+][C@@H]1CCN(C)[C@@H](C)C1 ZINC000872037673 622767815 /nfs/dbraw/zinc/76/78/15/622767815.db2.gz DOWYLZSLNPONGP-RWMBFGLXSA-N 1 1 323.462 3.450 20 5 DGBDMO C[C@H](N[C@@H]1C[C@H](C)[N@H+](C2CC2)C1)c1c(F)cccc1[N+](=O)[O-] ZINC000872042049 622770529 /nfs/dbraw/zinc/77/05/29/622770529.db2.gz MIJZDQNBAOUOLA-SDDRHHMPSA-N 1 1 307.369 3.010 20 5 DGBDMO C[C@H]([NH2+][C@@H]1C[C@H](C)N(C2CC2)C1)c1c(F)cccc1[N+](=O)[O-] ZINC000872042049 622770533 /nfs/dbraw/zinc/77/05/33/622770533.db2.gz MIJZDQNBAOUOLA-SDDRHHMPSA-N 1 1 307.369 3.010 20 5 DGBDMO C[C@H](N[C@H]1CCC[N@H+]2CCCC[C@@H]12)c1c(F)cccc1[N+](=O)[O-] ZINC000872085628 622797036 /nfs/dbraw/zinc/79/70/36/622797036.db2.gz QCUKDLURFHHHPR-QEJZJMRPSA-N 1 1 321.396 3.401 20 5 DGBDMO C[C@H]([NH2+][C@H]1CCCN2CCCC[C@@H]12)c1c(F)cccc1[N+](=O)[O-] ZINC000872085628 622797040 /nfs/dbraw/zinc/79/70/40/622797040.db2.gz QCUKDLURFHHHPR-QEJZJMRPSA-N 1 1 321.396 3.401 20 5 DGBDMO C[C@H](NC[C@@H]1CCCC[N@@H+](C)C1)c1c(F)cccc1[N+](=O)[O-] ZINC000872087888 622797980 /nfs/dbraw/zinc/79/79/80/622797980.db2.gz LQOFNDHOBAAIAR-STQMWFEESA-N 1 1 309.385 3.116 20 5 DGBDMO CCOC(=O)C1=CC[C@@H]([NH2+][C@@H](C)c2c(F)cccc2[N+](=O)[O-])C1 ZINC000872089734 622799164 /nfs/dbraw/zinc/79/91/64/622799164.db2.gz CXGYFUUPSPDPQX-CMPLNLGQSA-N 1 1 322.336 3.036 20 5 DGBDMO CC1(C)[C@H]2[C@H](CCC[N@@H+]2Cc2cc([N+](=O)[O-])ccc2Cl)[C@@H]1O ZINC000872257461 622870214 /nfs/dbraw/zinc/87/02/14/622870214.db2.gz IGOQVBOXIHOSHL-CFVMTHIKSA-N 1 1 324.808 3.230 20 5 DGBDMO CC1(C)[C@H]2[C@H](CCC[N@H+]2Cc2cc([N+](=O)[O-])ccc2Cl)[C@@H]1O ZINC000872257461 622870218 /nfs/dbraw/zinc/87/02/18/622870218.db2.gz IGOQVBOXIHOSHL-CFVMTHIKSA-N 1 1 324.808 3.230 20 5 DGBDMO Cc1ccc([N+](=O)[O-])c(C)c1C[NH2+]Cc1cn2c(cccc2C)n1 ZINC000873048913 623025675 /nfs/dbraw/zinc/02/56/75/623025675.db2.gz RRUKOFAZGBRNEP-UHFFFAOYSA-N 1 1 324.384 3.458 20 5 DGBDMO Cc1ccc([N+](=O)[O-])c(C)c1C[NH2+]Cc1csc(N(C)C)n1 ZINC000873068019 623029274 /nfs/dbraw/zinc/02/92/74/623029274.db2.gz FXYGKZARBVLCGA-UHFFFAOYSA-N 1 1 320.418 3.024 20 5 DGBDMO COc1ccc(OC)c(C[NH2+][C@@H](C)c2ccccc2[N+](=O)[O-])c1 ZINC000873183787 623064625 /nfs/dbraw/zinc/06/46/25/623064625.db2.gz HZXBGAODEURDDE-LBPRGKRZSA-N 1 1 316.357 3.463 20 5 DGBDMO CC[C@H]1[C@H](C)CC[N@H+]1Cn1nc(C)c2ccc([N+](=O)[O-])cc21 ZINC000774618005 623166275 /nfs/dbraw/zinc/16/62/75/623166275.db2.gz HHMQVRVOXNQNRJ-ABAIWWIYSA-N 1 1 302.378 3.331 20 5 DGBDMO C[C@H]1CC[N@@H+](Cn2ncc3cc([N+](=O)[O-])cc(Cl)c32)[C@H]1C ZINC000774637189 623168615 /nfs/dbraw/zinc/16/86/15/623168615.db2.gz MVOLMZUNUFYBLS-UWVGGRQHSA-N 1 1 308.769 3.286 20 5 DGBDMO C[C@H](c1ccc(F)cc1)[N@@H+](C)C[C@H](O)c1ccc([N+](=O)[O-])cc1 ZINC000776274395 623405228 /nfs/dbraw/zinc/40/52/28/623405228.db2.gz HJCLVGVBSYAAOL-PXAZEXFGSA-N 1 1 318.348 3.460 20 5 DGBDMO C[N@@H+](Cc1ccc(F)cc1F)C[C@H](O)c1ccc([N+](=O)[O-])cc1 ZINC000776273394 623405338 /nfs/dbraw/zinc/40/53/38/623405338.db2.gz AXMCUYNUDUIGBQ-INIZCTEOSA-N 1 1 322.311 3.038 20 5 DGBDMO C[N@H+](Cc1ccc(F)cc1F)C[C@H](O)c1ccc([N+](=O)[O-])cc1 ZINC000776273394 623405342 /nfs/dbraw/zinc/40/53/42/623405342.db2.gz AXMCUYNUDUIGBQ-INIZCTEOSA-N 1 1 322.311 3.038 20 5 DGBDMO CC[N@H+](Cc1cccs1)C[C@H](O)c1ccc([N+](=O)[O-])cc1 ZINC000776271350 623405389 /nfs/dbraw/zinc/40/53/89/623405389.db2.gz LGBUDXNGLOMXAR-HNNXBMFYSA-N 1 1 306.387 3.212 20 5 DGBDMO O=[N+]([O-])c1ccc([C@@H](O)C[N@H+]2CCCc3sccc3C2)cc1 ZINC000776583332 623442863 /nfs/dbraw/zinc/44/28/63/623442863.db2.gz ZYZFEDPBCDVUMG-HNNXBMFYSA-N 1 1 318.398 3.138 20 5 DGBDMO O=[N+]([O-])c1ccc([C@@H](O)C[N@@H+](C2CC2)C2CCCCC2)cc1 ZINC000776579744 623442983 /nfs/dbraw/zinc/44/29/83/623442983.db2.gz PHYGZDNDPKNMLH-KRWDZBQOSA-N 1 1 304.390 3.425 20 5 DGBDMO CC(C)[C@H]1CCC[N@@H+](C[C@H](O)c2ccc([N+](=O)[O-])cc2)CC1 ZINC000776584297 623443224 /nfs/dbraw/zinc/44/32/24/623443224.db2.gz KJMOSKXPLBIJJO-YOEHRIQHSA-N 1 1 306.406 3.386 20 5 DGBDMO O=[N+]([O-])c1ccc([C@@H](O)C[N@H+]2CC[C@H]2c2cccc(F)c2)cc1 ZINC000776590741 623445459 /nfs/dbraw/zinc/44/54/59/623445459.db2.gz FWENHYWPZFONFB-IRXDYDNUSA-N 1 1 316.332 3.214 20 5 DGBDMO C[C@@H]1C[C@H](C)C[N@@H+]1Cn1cc(-c2cccc([N+](=O)[O-])c2)cn1 ZINC000777956372 623590133 /nfs/dbraw/zinc/59/01/33/623590133.db2.gz GVTSPYLFLOPOFT-QWHCGFSZSA-N 1 1 300.362 3.146 20 5 DGBDMO C[C@H](OC(=O)[C@H](C)[NH+]1CCCCCC1)c1ccccc1[N+](=O)[O-] ZINC000778613146 623676616 /nfs/dbraw/zinc/67/66/16/623676616.db2.gz ALFMQFBFGUEXTO-KBPBESRZSA-N 1 1 320.389 3.464 20 5 DGBDMO CC(C)([NH2+]Cc1ccc(Cl)nn1)c1ccc([N+](=O)[O-])cc1 ZINC000877361762 623859887 /nfs/dbraw/zinc/85/98/87/623859887.db2.gz XPPWCPGNLYKVSX-UHFFFAOYSA-N 1 1 306.753 3.063 20 5 DGBDMO CC(C)(O)[C@H]1CCC[N@@H+](Cc2ccc([N+](=O)[O-])cc2Cl)C1 ZINC000877796541 624037267 /nfs/dbraw/zinc/03/72/67/624037267.db2.gz HRBISBPUGIWSLT-LBPRGKRZSA-N 1 1 312.797 3.231 20 5 DGBDMO CC(C)(O)[C@H]1CCC[N@@H+](Cc2ccc(Cl)c([N+](=O)[O-])c2)C1 ZINC000877796081 624037831 /nfs/dbraw/zinc/03/78/31/624037831.db2.gz HCSMYBRLZPNLDI-LBPRGKRZSA-N 1 1 312.797 3.231 20 5 DGBDMO Cc1conc1C[N@@H+]1CCC[C@H](c2ccc([N+](=O)[O-])cc2)C1 ZINC000878678450 624338423 /nfs/dbraw/zinc/33/84/23/624338423.db2.gz HWIOASUNXCTQKD-AWEZNQCLSA-N 1 1 301.346 3.271 20 5 DGBDMO Cc1conc1C[N@H+]1CCC[C@H](c2ccc([N+](=O)[O-])cc2)C1 ZINC000878678450 624338424 /nfs/dbraw/zinc/33/84/24/624338424.db2.gz HWIOASUNXCTQKD-AWEZNQCLSA-N 1 1 301.346 3.271 20 5 DGBDMO C[C@@H]1[C@H](C)C[N@@H+](Cc2nnc(-c3ccccc3[N+](=O)[O-])o2)[C@H]1C ZINC000878718080 624346889 /nfs/dbraw/zinc/34/68/89/624346889.db2.gz OKUSRJQKAFNOSO-UTUOFQBUSA-N 1 1 316.361 3.121 20 5 DGBDMO O=[N+]([O-])c1ccc(C[N@H+]2CCC[C@H]3COCC[C@@H]32)cc1Cl ZINC000783569967 624367600 /nfs/dbraw/zinc/36/76/00/624367600.db2.gz DLFXWBNXQDDYLE-JSGCOSHPSA-N 1 1 310.781 3.249 20 5 DGBDMO C[NH+]1CCC2(CCN(Cc3cc(Cl)ccc3[N+](=O)[O-])C2)CC1 ZINC000878865406 624375591 /nfs/dbraw/zinc/37/55/91/624375591.db2.gz YHJWQQYGYGPYFT-UHFFFAOYSA-N 1 1 323.824 3.166 20 5 DGBDMO O=[N+]([O-])c1ccc(C[NH2+][C@@H]2CCCc3cn[nH]c32)cc1Cl ZINC000783647816 624379817 /nfs/dbraw/zinc/37/98/17/624379817.db2.gz YSNXMURQMAHMHJ-GFCCVEGCSA-N 1 1 306.753 3.139 20 5 DGBDMO O=[N+]([O-])c1ccc(C[NH2+][C@@H]2CCCc3c[nH]nc32)cc1Cl ZINC000783647816 624379818 /nfs/dbraw/zinc/37/98/18/624379818.db2.gz YSNXMURQMAHMHJ-GFCCVEGCSA-N 1 1 306.753 3.139 20 5 DGBDMO O=[N+]([O-])c1ccc(C[N@@H+]2CCC[C@@H]2[C@@H](O)c2ccccc2)cc1 ZINC000879239452 624457318 /nfs/dbraw/zinc/45/73/18/624457318.db2.gz BGVBYTXYCDBQQB-MSOLQXFVSA-N 1 1 312.369 3.293 20 5 DGBDMO O=[N+]([O-])c1cc(Cl)ccc1C[N@H+]1CC[C@@H]2CSC[C@H]2C1 ZINC000879560659 624590111 /nfs/dbraw/zinc/59/01/11/624590111.db2.gz VJAPHKSXGUFCTD-VXGBXAGGSA-N 1 1 312.822 3.433 20 5 DGBDMO Cc1ccc([N+](=O)[O-])cc1[C@@H](C)[N@H+]1CCC[C@H](C(C)(C)O)C1 ZINC000879963477 624738199 /nfs/dbraw/zinc/73/81/99/624738199.db2.gz KGQDPCJMVQRXEC-KGLIPLIRSA-N 1 1 306.406 3.447 20 5 DGBDMO Cc1csc([C@@H]2CC[N@@H+](Cc3cc(F)ccc3[N+](=O)[O-])C2)n1 ZINC000880011782 624753764 /nfs/dbraw/zinc/75/37/64/624753764.db2.gz RGPBUFKHTLCSSB-LLVKDONJSA-N 1 1 321.377 3.488 20 5 DGBDMO C[C@H](c1cccc([N+](=O)[O-])c1)[N@@H+]1CCO[C@@H](C(F)(F)F)CC1 ZINC000880042988 624764133 /nfs/dbraw/zinc/76/41/33/624764133.db2.gz BHGHPJROYWJXOB-ZWNOBZJWSA-N 1 1 318.295 3.309 20 5 DGBDMO C[C@H](c1cccc([N+](=O)[O-])c1)[N@H+]1CCO[C@@H](C(F)(F)F)CC1 ZINC000880042988 624764136 /nfs/dbraw/zinc/76/41/36/624764136.db2.gz BHGHPJROYWJXOB-ZWNOBZJWSA-N 1 1 318.295 3.309 20 5 DGBDMO C[C@@H](O)[C@@H]1C[C@H](C)CC[N@H+]1Cc1ccc([N+](=O)[O-])c(Cl)c1 ZINC000785988349 624775204 /nfs/dbraw/zinc/77/52/04/624775204.db2.gz LTHJTNPCYTYNCI-HFAKWTLXSA-N 1 1 312.797 3.230 20 5 DGBDMO O=[N+]([O-])c1ccc(-c2nc(C[NH+]3CCC(F)CC3)co2)cc1 ZINC000880240407 624863652 /nfs/dbraw/zinc/86/36/52/624863652.db2.gz YMSPAVLTSXURIE-UHFFFAOYSA-N 1 1 305.309 3.184 20 5 DGBDMO CO[C@@]1(C(F)(F)F)CC[N@H+](Cc2ccc(C)c([N+](=O)[O-])c2)C1 ZINC000880310034 624908863 /nfs/dbraw/zinc/90/88/63/624908863.db2.gz VZGUDVWGYWUVRX-ZDUSSCGKSA-N 1 1 318.295 3.056 20 5 DGBDMO CO[C@@]1(C(F)(F)F)CC[N@@H+](Cc2ccc(C)c([N+](=O)[O-])c2)C1 ZINC000880310034 624908864 /nfs/dbraw/zinc/90/88/64/624908864.db2.gz VZGUDVWGYWUVRX-ZDUSSCGKSA-N 1 1 318.295 3.056 20 5 DGBDMO O=[N+]([O-])c1ccc(C[N@H+]2CC[C@H](c3nccs3)C2)cc1F ZINC000880319849 624916199 /nfs/dbraw/zinc/91/61/99/624916199.db2.gz LHCDNICWMFOAAI-NSHDSACASA-N 1 1 307.350 3.180 20 5 DGBDMO CC[N@H+](Cc1ccc(F)cc1[N+](=O)[O-])[C@H](CO)c1ccccc1 ZINC000880462486 624961862 /nfs/dbraw/zinc/96/18/62/624961862.db2.gz HUMHCTOQZDCJOH-QGZVFWFLSA-N 1 1 318.348 3.289 20 5 DGBDMO CC[N@@H+](Cc1ccc(F)cc1[N+](=O)[O-])[C@H](CO)c1ccccc1 ZINC000880462486 624961865 /nfs/dbraw/zinc/96/18/65/624961865.db2.gz HUMHCTOQZDCJOH-QGZVFWFLSA-N 1 1 318.348 3.289 20 5 DGBDMO CC1(C)CC[N@@H+](Cn2ncc3ccc([N+](=O)[O-])cc32)CCS1 ZINC000788377896 625144370 /nfs/dbraw/zinc/14/43/70/625144370.db2.gz LZLPLRPIGXEBEQ-UHFFFAOYSA-N 1 1 320.418 3.120 20 5 DGBDMO C[C@H](CN[C@@H](C)c1ccc(N)c([N+](=O)[O-])c1)[N@@H+]1CCCC[C@@H]1C ZINC000788527743 625206812 /nfs/dbraw/zinc/20/68/12/625206812.db2.gz OZHUWYYUJBXQPR-MJBXVCDLSA-N 1 1 320.437 3.091 20 5 DGBDMO C[C@H](CN[C@@H](C)c1ccc(N)c([N+](=O)[O-])c1)[N@H+]1CCCC[C@@H]1C ZINC000788527743 625206821 /nfs/dbraw/zinc/20/68/21/625206821.db2.gz OZHUWYYUJBXQPR-MJBXVCDLSA-N 1 1 320.437 3.091 20 5 DGBDMO CC1=C(C)C[N@H+](CC(=O)Nc2ccc(Cl)c([N+](=O)[O-])c2)CC1 ZINC000796589413 626064603 /nfs/dbraw/zinc/06/46/03/626064603.db2.gz GEIBDPQJZMZVNT-UHFFFAOYSA-N 1 1 323.780 3.229 20 5 DGBDMO CC1=C(C)C[N@@H+](CC(=O)Nc2ccc(Cl)c([N+](=O)[O-])c2)CC1 ZINC000796589413 626064605 /nfs/dbraw/zinc/06/46/05/626064605.db2.gz GEIBDPQJZMZVNT-UHFFFAOYSA-N 1 1 323.780 3.229 20 5 DGBDMO O=[N+]([O-])c1ccc(C[N@H+]2CC[C@H](c3ccccn3)C2)c(F)c1 ZINC000798965517 626264074 /nfs/dbraw/zinc/26/40/74/626264074.db2.gz UCZOVAWHGNLFRG-ZDUSSCGKSA-N 1 1 301.321 3.118 20 5 DGBDMO C[C@@H]1CC[C@H](C)[N@@H+]1[C@@H]1CCCN(c2cc(N)ccc2[N+](=O)[O-])C1 ZINC000800846616 626378717 /nfs/dbraw/zinc/37/87/17/626378717.db2.gz PTMJFDAWPXFOPC-VNHYZAJKSA-N 1 1 318.421 3.019 20 5 DGBDMO O=[N+]([O-])c1ccc(C[N@H+]2CC[C@H](c3ccccn3)C2)cc1F ZINC000801555318 626409585 /nfs/dbraw/zinc/40/95/85/626409585.db2.gz KJXDKECNUHVZMV-ZDUSSCGKSA-N 1 1 301.321 3.118 20 5 DGBDMO COc1ccc(C[NH2+]Cc2ccc(C)nc2Cl)cc1[N+](=O)[O-] ZINC000883292008 626638166 /nfs/dbraw/zinc/63/81/66/626638166.db2.gz AJKUSWKIMPOEIM-UHFFFAOYSA-N 1 1 321.764 3.250 20 5 DGBDMO C[N@H+]1CCCC[C@H]1CCC(=O)OCc1ccc([N+](=O)[O-])c(F)c1 ZINC000803856213 626644588 /nfs/dbraw/zinc/64/45/88/626644588.db2.gz MXKKGWXYHISBLX-ZDUSSCGKSA-N 1 1 324.352 3.042 20 5 DGBDMO CC(=O)c1ccc([N+](=O)[O-])cc1NCCNc1cccc(C)[nH+]1 ZINC000807974876 626781518 /nfs/dbraw/zinc/78/15/18/626781518.db2.gz XETWDCTWTDJCMI-UHFFFAOYSA-N 1 1 314.345 3.025 20 5 DGBDMO CC(=O)c1ccc([N+](=O)[O-])cc1NC[C@H]1CC[N@H+](CC(C)C)C1 ZINC000807993509 626784263 /nfs/dbraw/zinc/78/42/63/626784263.db2.gz FEBMMSVIFAPYKE-CQSZACIVSA-N 1 1 319.405 3.187 20 5 DGBDMO C[C@H](CO)[N@H+](Cc1ccc([N+](=O)[O-])c(Cl)c1)CC1CCC1 ZINC000809665390 626934600 /nfs/dbraw/zinc/93/46/00/626934600.db2.gz SOFLSTAQMXCVGS-LLVKDONJSA-N 1 1 312.797 3.231 20 5 DGBDMO Cc1nccn1CCC[N@H+](C)Cc1ccc([N+](=O)[O-])c(Cl)c1 ZINC000809752568 626946636 /nfs/dbraw/zinc/94/66/36/626946636.db2.gz GJOIAVWSBCUFQX-UHFFFAOYSA-N 1 1 322.796 3.275 20 5 DGBDMO C[N@H+]1CC[C@@H]2[C@@H](CCCN2Cc2cc([N+](=O)[O-])ccc2Cl)C1 ZINC000809767796 626950283 /nfs/dbraw/zinc/95/02/83/626950283.db2.gz UMRWEURBJLKJFY-BLLLJJGKSA-N 1 1 323.824 3.164 20 5 DGBDMO CC(C)[N@H+](Cc1cc(Cl)cc(Cl)c1[N+](=O)[O-])C[C@H](C)O ZINC000809944746 626961256 /nfs/dbraw/zinc/96/12/56/626961256.db2.gz SZNMPNMOXYWXKU-VIFPVBQESA-N 1 1 321.204 3.493 20 5 DGBDMO O=[N+]([O-])c1ccc2cnn(C[N@H+]3CC[C@H](C4CCC4)C3)c2c1 ZINC000840190730 626973883 /nfs/dbraw/zinc/97/38/83/626973883.db2.gz YDXZAJWPUNBFAB-AWEZNQCLSA-N 1 1 300.362 3.024 20 5 DGBDMO O=C(O[C@@H]1CC[N@H+]2CCC[C@H]2C1)c1cc(Cl)cc([N+](=O)[O-])c1 ZINC000810852003 627056082 /nfs/dbraw/zinc/05/60/82/627056082.db2.gz OLOBPDBNHGFFAU-GXTWGEPZSA-N 1 1 324.764 3.032 20 5 DGBDMO Cc1ccccc1[C@@H](CO)[N@H+](C)Cc1ccc([N+](=O)[O-])cc1F ZINC000886433904 627148257 /nfs/dbraw/zinc/14/82/57/627148257.db2.gz WOFFYHNSDVSZPB-QGZVFWFLSA-N 1 1 318.348 3.208 20 5 DGBDMO Cc1ccccc1[C@@H](CO)[N@@H+](C)Cc1ccc([N+](=O)[O-])cc1F ZINC000886433904 627148260 /nfs/dbraw/zinc/14/82/60/627148260.db2.gz WOFFYHNSDVSZPB-QGZVFWFLSA-N 1 1 318.348 3.208 20 5 DGBDMO O=[N+]([O-])c1cc(Cl)ccc1C[N@H+]1CC[C@H]([C@@H]2CCCO2)C1 ZINC000886815379 627208206 /nfs/dbraw/zinc/20/82/06/627208206.db2.gz COZNHKRWASSQPF-WFASDCNBSA-N 1 1 310.781 3.249 20 5 DGBDMO O=[N+]([O-])c1cc(C[N@H+]2CC[C@H]([C@@H]3CCCO3)C2)ccc1Cl ZINC000886822583 627208729 /nfs/dbraw/zinc/20/87/29/627208729.db2.gz RVXRTQFUDYZEOL-WFASDCNBSA-N 1 1 310.781 3.249 20 5 DGBDMO CC(C)[N@@H+](C)CCNCc1cc(Cl)cc(Cl)c1[N+](=O)[O-] ZINC000811477143 627278975 /nfs/dbraw/zinc/27/89/75/627278975.db2.gz HFQSPDSUFKRJPB-UHFFFAOYSA-N 1 1 320.220 3.331 20 5 DGBDMO CCCC[N@@H+](C)C[C@@H](C)Nc1c([N+](=O)[O-])cccc1[N+](=O)[O-] ZINC000811848348 627329625 /nfs/dbraw/zinc/32/96/25/627329625.db2.gz ANWPFFZGKISVAI-LLVKDONJSA-N 1 1 310.354 3.035 20 5 DGBDMO CCCC[N@@H+](C)C[C@@H](C)Nc1ccc([N+](=O)[O-])cc1C(C)=O ZINC000811848349 627329904 /nfs/dbraw/zinc/32/99/04/627329904.db2.gz APJJMEDDWKDJGP-GFCCVEGCSA-N 1 1 307.394 3.330 20 5 DGBDMO CCCC(N)=[NH+]OCc1ccc(Br)c([N+](=O)[O-])c1 ZINC000814265015 627555954 /nfs/dbraw/zinc/55/59/54/627555954.db2.gz KSJNIJRFRDZQNO-UHFFFAOYSA-N 1 1 316.155 3.156 20 5 DGBDMO Cc1ccc([N+](=O)[O-])cc1[C@@H](C)[NH2+]Cc1cc(C2CC2)n(C)n1 ZINC000927112747 628018141 /nfs/dbraw/zinc/01/81/41/628018141.db2.gz RCTUCFJTVMEQKN-GFCCVEGCSA-N 1 1 314.389 3.365 20 5 DGBDMO C[C@H](Nc1nc(N2CCCC2)cc[nH+]1)c1ccc([N+](=O)[O-])cc1 ZINC000828281045 629041186 /nfs/dbraw/zinc/04/11/86/629041186.db2.gz NKQTWSYOXFGMNM-LBPRGKRZSA-N 1 1 313.361 3.158 20 5 DGBDMO CCC(=O)c1ccc(N2CC[N@@H+](CC)C[C@H]2CC)c([N+](=O)[O-])c1 ZINC000829127127 629132433 /nfs/dbraw/zinc/13/24/33/629132433.db2.gz VCAMAFPYZMHSRF-CQSZACIVSA-N 1 1 319.405 3.108 20 5 DGBDMO CCC(=O)c1ccc(N2CC[N@H+](CC)C[C@H]2CC)c([N+](=O)[O-])c1 ZINC000829127127 629132434 /nfs/dbraw/zinc/13/24/34/629132434.db2.gz VCAMAFPYZMHSRF-CQSZACIVSA-N 1 1 319.405 3.108 20 5 DGBDMO C[C@H]1CC2(C[N@H+]1Cc1cc(F)ccc1[N+](=O)[O-])CCOCC2 ZINC000830623029 629288526 /nfs/dbraw/zinc/28/85/26/629288526.db2.gz WGMDCGVBPWFIQD-LBPRGKRZSA-N 1 1 308.353 3.125 20 5 DGBDMO CO[C@@H]1C[C@H]([N@@H+](C)Cc2cc(F)ccc2[N+](=O)[O-])C12CCC2 ZINC000832204879 629450019 /nfs/dbraw/zinc/45/00/19/629450019.db2.gz UHYVIGOTMGSCDY-LSDHHAIUSA-N 1 1 308.353 3.123 20 5 DGBDMO O=[N+]([O-])c1ccc(F)cc1C[N@H+]1CCC[C@]2(CCSC2)C1 ZINC000832505643 629490875 /nfs/dbraw/zinc/49/08/75/629490875.db2.gz MQCAKUONLJSNSI-HNNXBMFYSA-N 1 1 310.394 3.453 20 5 DGBDMO CCOC(=O)CCC[N@H+](C)Cc1cc([N+](=O)[O-])ccc1Cl ZINC000102396603 630091198 /nfs/dbraw/zinc/09/11/98/630091198.db2.gz KKPGRYKNIRLICH-UHFFFAOYSA-N 1 1 314.769 3.023 20 5 DGBDMO CCOC(=O)CCC[N@@H+](C)Cc1cc([N+](=O)[O-])ccc1Cl ZINC000102396603 630091200 /nfs/dbraw/zinc/09/12/00/630091200.db2.gz KKPGRYKNIRLICH-UHFFFAOYSA-N 1 1 314.769 3.023 20 5 DGBDMO Cc1cc(C(=O)OC[C@@H]2CCC[N@H+](C(C)C)C2)ccc1[N+](=O)[O-] ZINC000842835340 630582783 /nfs/dbraw/zinc/58/27/83/630582783.db2.gz WCFXSJWWJIAEDT-CQSZACIVSA-N 1 1 320.389 3.180 20 5 DGBDMO O=[N+]([O-])c1ccc(C[N@@H+]2CCC[C@H](OC3CCC3)C2)cc1F ZINC000847035274 631387899 /nfs/dbraw/zinc/38/78/99/631387899.db2.gz CTMHHWOWRZZLNW-AWEZNQCLSA-N 1 1 308.353 3.267 20 5 DGBDMO O=[N+]([O-])c1ccc(C[N@H+]2CCC[C@H](OC3CCC3)C2)cc1F ZINC000847035274 631387903 /nfs/dbraw/zinc/38/79/03/631387903.db2.gz CTMHHWOWRZZLNW-AWEZNQCLSA-N 1 1 308.353 3.267 20 5 DGBDMO C[C@H]1CCC[N@@H+](Cn2cc(-c3ccccc3[N+](=O)[O-])cn2)C1 ZINC000848473952 631666725 /nfs/dbraw/zinc/66/67/25/631666725.db2.gz RXJBBBXFQHHSSK-ZDUSSCGKSA-N 1 1 300.362 3.148 20 5 DGBDMO O=[N+]([O-])c1cccc2c1CC[C@@H]2[NH2+]Cc1ccccc1[N+](=O)[O-] ZINC000848533292 631681745 /nfs/dbraw/zinc/68/17/45/631681745.db2.gz QIJWAUAPDYHPRK-AWEZNQCLSA-N 1 1 313.313 3.280 20 5 DGBDMO CC(=O)c1cc([N+](=O)[O-])ccc1N[C@H]1CCC[N@H+]2CCCC[C@H]12 ZINC000848787860 631748582 /nfs/dbraw/zinc/74/85/82/631748582.db2.gz XKRHXUOCVCYKAB-DLBZAZTESA-N 1 1 317.389 3.226 20 5 DGBDMO Cc1noc(C[NH+]2CCC(c3cccc(F)c3)CC2)c1[N+](=O)[O-] ZINC000851801283 632497388 /nfs/dbraw/zinc/49/73/88/632497388.db2.gz FWGNZEKIVDLDMT-UHFFFAOYSA-N 1 1 319.336 3.410 20 5 DGBDMO O=[N+]([O-])c1ccc([C@H]2CCC[N@@H+](CCOC(F)F)C2)cc1 ZINC000852134205 632561321 /nfs/dbraw/zinc/56/13/21/632561321.db2.gz AUMHCSJVHFLVFF-LBPRGKRZSA-N 1 1 300.305 3.013 20 5 DGBDMO C[C@@H]1CCC[N@@H+](Cc2cc([N+](=O)[O-])ccc2Cl)[C@H]1CCO ZINC000852457310 632605569 /nfs/dbraw/zinc/60/55/69/632605569.db2.gz RJUZQQXKRSYDAM-ABAIWWIYSA-N 1 1 312.797 3.231 20 5 DGBDMO C[C@@H]1CCC[N@@H+](Cc2ccc(Cl)c([N+](=O)[O-])c2)[C@H]1CCO ZINC000852458145 632605913 /nfs/dbraw/zinc/60/59/13/632605913.db2.gz BMYDAVKIWORVBH-RISCZKNCSA-N 1 1 312.797 3.231 20 5 DGBDMO C[C@@H](C(=O)Nc1ccccc1[N+](=O)[O-])[N@H+]1CCC2(CCCC2)C1 ZINC000173820138 659402565 /nfs/dbraw/zinc/40/25/65/659402565.db2.gz AHNAHZQEYYXDIE-ZDUSSCGKSA-N 1 1 317.389 3.188 20 5 DGBDMO O=[N+]([O-])c1ccccc1/C=C\C[N@@H+]1CCO[C@@H]2CCCC[C@H]21 ZINC000255306519 655695889 /nfs/dbraw/zinc/69/58/89/655695889.db2.gz RAIVQXGSFKFTDO-BJESKFFQSA-N 1 1 302.374 3.251 20 5 DGBDMO O=[N+]([O-])c1ccccc1/C=C\C[N@H+]1CCO[C@@H]2CCCC[C@H]21 ZINC000255306519 655695890 /nfs/dbraw/zinc/69/58/90/655695890.db2.gz RAIVQXGSFKFTDO-BJESKFFQSA-N 1 1 302.374 3.251 20 5 DGBDMO CCc1[nH+]c(C)cn1Cc1ccc(Br)cc1[N+](=O)[O-] ZINC000715066425 661207886 /nfs/dbraw/zinc/20/78/86/661207886.db2.gz LRNPXTLPAHSGFP-UHFFFAOYSA-N 1 1 324.178 3.473 20 5 DGBDMO Cc1cc(N2CCC[C@H]([C@H](C)[NH3+])C2)c2cc([N+](=O)[O-])ccc2n1 ZINC000261958209 657257869 /nfs/dbraw/zinc/25/78/69/657257869.db2.gz XIYLZRDTLVRGNB-STQMWFEESA-N 1 1 314.389 3.015 20 5 DGBDMO C[C@@H]1C[N@@H+](Cc2ccc(-c3ccccc3[N+](=O)[O-])s2)C[C@@H]1O ZINC000897684591 658483200 /nfs/dbraw/zinc/48/32/00/658483200.db2.gz SDHZUFZIHIAGMS-ABAIWWIYSA-N 1 1 318.398 3.136 20 5 DGBDMO CC[C@H](c1ccccc1)[C@@H]1CCC[N@H+]1Cn1cc([N+](=O)[O-])cn1 ZINC000069689617 660015423 /nfs/dbraw/zinc/01/54/23/660015423.db2.gz SEHWHNPABPDDCT-SJORKVTESA-N 1 1 314.389 3.407 20 5 DGBDMO O=[N+]([O-])c1cc(F)ccc1C[NH+]1CCC(c2ncco2)CC1 ZINC000931445733 661477325 /nfs/dbraw/zinc/47/73/25/661477325.db2.gz MKEYRSRQTATAMR-UHFFFAOYSA-N 1 1 305.309 3.102 20 5 DGBDMO O=[N+]([O-])c1ccc(F)cc1C[NH+]1CCC(c2ncco2)CC1 ZINC000931450943 661477549 /nfs/dbraw/zinc/47/75/49/661477549.db2.gz DYSFWFGVUOVKRQ-UHFFFAOYSA-N 1 1 305.309 3.102 20 5 DGBDMO O=[N+]([O-])c1ccc(C[N@H+]2CC[C@@]3(CC(F)(F)C3(F)F)C2)cc1 ZINC000931919872 661522304 /nfs/dbraw/zinc/52/23/04/661522304.db2.gz ZZFJQYLHGIGJBY-GFCCVEGCSA-N 1 1 318.270 3.461 20 5 DGBDMO Cc1nc([C@H]2CC[N@H+]([C@H](C)c3cc([N+](=O)[O-])ccc3C)C2)no1 ZINC000931938235 661524291 /nfs/dbraw/zinc/52/42/91/661524291.db2.gz LPDNMCMMGUBBKT-YPMHNXCESA-N 1 1 316.361 3.145 20 5 DGBDMO Cc1csc(C[C@@H]2CC[N@@H+](Cc3ccc([N+](=O)[O-])cc3)C2)n1 ZINC000933133429 661619249 /nfs/dbraw/zinc/61/92/49/661619249.db2.gz YQSUXEPTNZNRCY-AWEZNQCLSA-N 1 1 317.414 3.424 20 5 DGBDMO COc1ccc([C@@H]2CCC[N@@H+]2Cc2cccc([N+](=O)[O-])c2)nc1 ZINC000934349256 661700731 /nfs/dbraw/zinc/70/07/31/661700731.db2.gz MAYKHDOEKGUIHN-KRWDZBQOSA-N 1 1 313.357 3.336 20 5 DGBDMO COc1ccc([C@@H]2CCC[N@H+]2Cc2cccc([N+](=O)[O-])c2)nc1 ZINC000934349256 661700732 /nfs/dbraw/zinc/70/07/32/661700732.db2.gz MAYKHDOEKGUIHN-KRWDZBQOSA-N 1 1 313.357 3.336 20 5 DGBDMO O=[N+]([O-])c1cccc(C[N@H+]2CCCC[C@H]([C@H]3CCOC3)C2)c1 ZINC000934840108 661740386 /nfs/dbraw/zinc/74/03/86/661740386.db2.gz BDFLCVKNRKTUFP-HOTGVXAUSA-N 1 1 304.390 3.233 20 5 DGBDMO COc1ccc(C[N@H+](C)Cc2cc(F)ccc2[N+](=O)[O-])cc1 ZINC000047540507 661878129 /nfs/dbraw/zinc/87/81/29/661878129.db2.gz ZNEGWLLPDPFSDO-UHFFFAOYSA-N 1 1 304.321 3.375 20 5 DGBDMO COc1ccc(C[N@@H+](C)Cc2cc(F)ccc2[N+](=O)[O-])cc1 ZINC000047540507 661878130 /nfs/dbraw/zinc/87/81/30/661878130.db2.gz ZNEGWLLPDPFSDO-UHFFFAOYSA-N 1 1 304.321 3.375 20 5 DGBDMO C[C@@H]1Cc2ccccc2C[N@H+]1C[C@@H](O)c1cccc([N+](=O)[O-])c1 ZINC000246378344 662257083 /nfs/dbraw/zinc/25/70/83/662257083.db2.gz ZEYUEXYHZJSUCS-FZKQIMNGSA-N 1 1 312.369 3.075 20 5 DGBDMO COc1ccc([N+](=O)[O-])cc1C[NH2+]Cc1cc(F)cc(F)c1 ZINC001620874133 1192507346 /nfs/dbraw/zinc/50/73/46/1192507346.db2.gz HDCNMTXKKZKNOY-UHFFFAOYSA-N 1 1 308.284 3.171 20 5 DGBDMO CN(C)[C@@H]1CCCC[C@@H]1[NH2+]Cc1ccc([N+](=O)[O-])cc1Cl ZINC001342323275 1179129965 /nfs/dbraw/zinc/12/99/65/1179129965.db2.gz APDDTMLFMLNHBN-LSDHHAIUSA-N 1 1 311.813 3.211 20 5 DGBDMO C[C@H](C(=O)Nc1cccc([N+](=O)[O-])c1)[N@H+]1CC[C@H](C)C(C)(C)C1 ZINC001473365960 1181481558 /nfs/dbraw/zinc/48/15/58/1181481558.db2.gz YBMGMBNLBBAAOL-QWHCGFSZSA-N 1 1 319.405 3.290 20 5 DGBDMO Cc1cc(N2CC[N@@H+](C3CCCC3)[C@H](C)C2)ccc1[N+](=O)[O-] ZINC001458601433 1182542978 /nfs/dbraw/zinc/54/29/78/1182542978.db2.gz HUAIIFLXEGXUAJ-CQSZACIVSA-N 1 1 303.406 3.356 20 5 DGBDMO CCOc1cc(C[N@@H+]2CC[C@@H]3[C@H](C2)C3(F)F)ccc1[N+](=O)[O-] ZINC001459799489 1182617852 /nfs/dbraw/zinc/61/78/52/1182617852.db2.gz QUQIMDIGIPOEKK-NEPJUHHUSA-N 1 1 312.316 3.081 20 5 DGBDMO CCOc1cc(C[N@H+]2CC[C@@H]3[C@H](C2)C3(F)F)ccc1[N+](=O)[O-] ZINC001459799489 1182617857 /nfs/dbraw/zinc/61/78/57/1182617857.db2.gz QUQIMDIGIPOEKK-NEPJUHHUSA-N 1 1 312.316 3.081 20 5 DGBDMO COc1ccc(OCC[N@@H+](C)[C@@H]2CCCC[C@H]2C)c([N+](=O)[O-])c1 ZINC001459956126 1182634366 /nfs/dbraw/zinc/63/43/66/1182634366.db2.gz WTRSOGFYXQEJSQ-UKRRQHHQSA-N 1 1 322.405 3.493 20 5 DGBDMO COc1ccc(OCC[N@@H+](C)[C@H]2CCCC[C@H]2C)c([N+](=O)[O-])c1 ZINC001459956122 1182634766 /nfs/dbraw/zinc/63/47/66/1182634766.db2.gz WTRSOGFYXQEJSQ-HIFRSBDPSA-N 1 1 322.405 3.493 20 5 DGBDMO C[N@@H+](CCc1cccc([N+](=O)[O-])c1)C[C@H]1CC[C@@H](C2CC2)O1 ZINC001460004933 1182641020 /nfs/dbraw/zinc/64/10/20/1182641020.db2.gz KXNYSTNBBMUXNE-SJORKVTESA-N 1 1 304.390 3.027 20 5 DGBDMO Cc1ccc(C[NH2+]Cc2nc3ccccc3nc2C)cc1[N+](=O)[O-] ZINC001462511476 1182962768 /nfs/dbraw/zinc/96/27/68/1182962768.db2.gz KZEOQUHCWPIAPS-UHFFFAOYSA-N 1 1 322.368 3.445 20 5 DGBDMO O=[N+]([O-])c1ccc(C[NH2+]Cc2ccc3nonc3c2)c(Cl)c1 ZINC001462638557 1182978834 /nfs/dbraw/zinc/97/88/34/1182978834.db2.gz CCNDUEFNWFPVMQ-UHFFFAOYSA-N 1 1 318.720 3.074 20 5 DGBDMO Cc1cc(NCC[N@H+](C)C2CC2)c([N+](=O)[O-])cc1C(F)(F)F ZINC001472670719 1183664056 /nfs/dbraw/zinc/66/40/56/1183664056.db2.gz KCHFVJNRJODJHL-UHFFFAOYSA-N 1 1 317.311 3.428 20 5 DGBDMO C[C@H]([NH2+]Cc1ccc([N+](=O)[O-])cc1F)c1cccc([N+](=O)[O-])c1 ZINC001473320392 1183743751 /nfs/dbraw/zinc/74/37/51/1183743751.db2.gz LIYIJYSGZHRFBJ-JTQLQIEISA-N 1 1 319.292 3.493 20 5 DGBDMO CC[C@@H]1C[N@H+](CCCOc2ccc([N+](=O)[O-])cc2)C[C@H](CC)O1 ZINC001473563489 1183773051 /nfs/dbraw/zinc/77/30/51/1183773051.db2.gz CXDKAMQMONRPEV-IYBDPMFKSA-N 1 1 322.405 3.253 20 5 DGBDMO O=[N+]([O-])c1ccc(CC[N@H+]2CCCC[C@]23CCCOC3)cc1 ZINC001473900355 1183822101 /nfs/dbraw/zinc/82/21/01/1183822101.db2.gz ABAVEWFODQGUCV-QGZVFWFLSA-N 1 1 304.390 3.172 20 5 DGBDMO CCCC1CC[NH+]([C@H](C)C(=O)Nc2ccc([N+](=O)[O-])cc2)CC1 ZINC001615740940 1193527493 /nfs/dbraw/zinc/52/74/93/1193527493.db2.gz YEXDJSSFHXTYTD-CYBMUJFWSA-N 1 1 319.405 3.434 20 5 DGBDMO COc1cc(NC[C@H]2CCCC[N@H+]2C)c(Cl)cc1[N+](=O)[O-] ZINC001559295686 1189193741 /nfs/dbraw/zinc/19/37/41/1189193741.db2.gz HUJDQNQUNSQCRQ-SNVBAGLBSA-N 1 1 313.785 3.153 20 5 DGBDMO CC[C@H]([NH2+]Cc1csnc1OC)c1cccc([N+](=O)[O-])c1 ZINC001559703027 1189232792 /nfs/dbraw/zinc/23/27/92/1189232792.db2.gz KSJPXGPVYCGYCG-ZDUSSCGKSA-N 1 1 307.375 3.301 20 5 DGBDMO Cc1ncc([N+](=O)[O-])n1CC[N@H+]1CC[C@@H]([C@H]2CCCC2(C)C)C1 ZINC001559937231 1189259409 /nfs/dbraw/zinc/25/94/09/1189259409.db2.gz XGFHITCGFAENCY-HUUCEWRRSA-N 1 1 320.437 3.248 20 5 DGBDMO O=[N+]([O-])c1cccc(F)c1C[N@@H+]1CCCC[C@@H]1[C@H]1CCCO1 ZINC001560224225 1189293843 /nfs/dbraw/zinc/29/38/43/1189293843.db2.gz ROGKARMLDIMFAF-HZPDHXFCSA-N 1 1 308.353 3.267 20 5 DGBDMO O=[N+]([O-])c1cccc(F)c1C[N@H+]1CCCC[C@@H]1[C@H]1CCCO1 ZINC001560224225 1189293846 /nfs/dbraw/zinc/29/38/46/1189293846.db2.gz ROGKARMLDIMFAF-HZPDHXFCSA-N 1 1 308.353 3.267 20 5 DGBDMO O=[N+]([O-])c1ccc(C[N@@H+]2CCCC[C@@]23CCOC3)c(Cl)c1 ZINC001560232646 1189296048 /nfs/dbraw/zinc/29/60/48/1189296048.db2.gz CKWUFYVKLFRWQU-HNNXBMFYSA-N 1 1 310.781 3.393 20 5 DGBDMO O=[N+]([O-])c1ccc(C[N@H+]2CCCC[C@@]23CCOC3)c(Cl)c1 ZINC001560232646 1189296052 /nfs/dbraw/zinc/29/60/52/1189296052.db2.gz CKWUFYVKLFRWQU-HNNXBMFYSA-N 1 1 310.781 3.393 20 5 DGBDMO CCC[N@@H+](C)C[C@H]1CCN(Cc2c(C)ccc([N+](=O)[O-])c2C)C1 ZINC001621113284 1193804588 /nfs/dbraw/zinc/80/45/88/1193804588.db2.gz CPXZOZSSFFBOTI-MRXNPFEDSA-N 1 1 319.449 3.375 20 5 DGBDMO CC1(C[N@H+]2CC[C@@H](Nc3ccc([N+](=O)[O-])cn3)C2)CCCC1 ZINC001621127513 1193806328 /nfs/dbraw/zinc/80/63/28/1193806328.db2.gz DPWOOYBEXMHYCQ-CYBMUJFWSA-N 1 1 304.394 3.056 20 5 DGBDMO CC1(C[N@H+]2CC[C@H](Nc3ccc([N+](=O)[O-])cn3)C2)CCCC1 ZINC001621127514 1193806463 /nfs/dbraw/zinc/80/64/63/1193806463.db2.gz DPWOOYBEXMHYCQ-ZDUSSCGKSA-N 1 1 304.394 3.056 20 5 DGBDMO C[C@@]12CSC[C@@H]1C[N@@H+](Cc1ccc([N+](=O)[O-])c(Cl)c1)C2 ZINC001621555169 1193857711 /nfs/dbraw/zinc/85/77/11/1193857711.db2.gz UNPFUGWZKMBNHY-SMDDNHRTSA-N 1 1 312.822 3.433 20 5 DGBDMO CCCC1CC[NH+]([C@@H](C)C(=O)Nc2cccc([N+](=O)[O-])c2)CC1 ZINC001641929184 1194879127 /nfs/dbraw/zinc/87/91/27/1194879127.db2.gz OBLDIDJUEHQLCY-ZDUSSCGKSA-N 1 1 319.405 3.434 20 5 DGBDMO COc1ccc(OCC[N@H+]2CC[C@@H](C)C(C)(C)C2)c([N+](=O)[O-])c1 ZINC001642662088 1194927446 /nfs/dbraw/zinc/92/74/46/1194927446.db2.gz GQOUSJYOCFXPJM-CYBMUJFWSA-N 1 1 322.405 3.350 20 5 DGBDMO COCC[N@@H+](Cc1ccc(F)cc1[N+](=O)[O-])[C@@H]1CC[C@H](C)C1 ZINC001642938217 1194955860 /nfs/dbraw/zinc/95/58/60/1194955860.db2.gz NUSKTSKFSNHKIC-SWLSCSKDSA-N 1 1 310.369 3.371 20 5 DGBDMO CC[N@@H+]1[C@H](C)CN([C@H](C)c2cc([N+](=O)[O-])ccc2C)C[C@@H]1C ZINC001643636943 1195041912 /nfs/dbraw/zinc/04/19/12/1195041912.db2.gz FAELTTOWLRBITQ-QLFBSQMISA-N 1 1 305.422 3.379 20 5 DGBDMO Cc1ccc2c(c1)C[N@H+](CCOc1ccccc1[N+](=O)[O-])CC2 ZINC001643740130 1195050504 /nfs/dbraw/zinc/05/05/04/1195050504.db2.gz BCJRTGLIXAAGLH-UHFFFAOYSA-N 1 1 312.369 3.340 20 5 DGBDMO CC[C@@H]1CC[C@@H](C)[N@@H+](Cc2nc3cc([N+](=O)[O-])ccc3[nH]2)C1 ZINC001643848749 1195058280 /nfs/dbraw/zinc/05/82/80/1195058280.db2.gz DOXATALMVDZYAD-VXGBXAGGSA-N 1 1 302.378 3.482 20 5 DGBDMO O=[N+]([O-])c1ccc(OCC[NH2+][C@H](CF)c2ccc(F)cc2)cc1 ZINC001644239387 1195092998 /nfs/dbraw/zinc/09/29/98/1195092998.db2.gz YBAGFRAIXPFSBQ-MRXNPFEDSA-N 1 1 322.311 3.413 20 5 DGBDMO O=[N+]([O-])c1cccc(OCC[N@H+]2C[C@H]3C[C@@]3(c3ccccc3)C2)c1 ZINC001644479500 1195111258 /nfs/dbraw/zinc/11/12/58/1195111258.db2.gz KIYCUQHWGBWUBH-APWZRJJASA-N 1 1 324.380 3.247 20 5 DGBDMO Cc1ccccc1CC[N@@H+](C)CCOc1ccc([N+](=O)[O-])cc1 ZINC001645851447 1195204718 /nfs/dbraw/zinc/20/47/18/1195204718.db2.gz LYOXVVDWJUXMFD-UHFFFAOYSA-N 1 1 314.385 3.457 20 5 DGBDMO O=[N+]([O-])c1ccccc1OCC[N@H+]1CCSC[C@H]1C1CCC1 ZINC001646293567 1195220770 /nfs/dbraw/zinc/22/07/70/1195220770.db2.gz RIEZYVLYGUUNAS-HNNXBMFYSA-N 1 1 322.430 3.191 20 5 DGBDMO CC(C)c1ncc(CNC(=O)c2cc(Cl)ccc2[N+](=O)[O-])[nH]1 ZINC001647824395 1195255798 /nfs/dbraw/zinc/25/57/98/1195255798.db2.gz DAINCPOFACFXGF-UHFFFAOYSA-N 1 1 322.752 3.025 20 5 DGBDMO C[C@H]1CCC[N@@H+](CCNc2nc3c(cc2[N+](=O)[O-])CCCC3)C1 ZINC001650627477 1195365897 /nfs/dbraw/zinc/36/58/97/1195365897.db2.gz NHRAXMFKHGZPHK-ZDUSSCGKSA-N 1 1 318.421 3.012 20 5 DGBDMO CC[N@H+]1CCCC[C@H]1CNc1ncc([N+](=O)[O-])c2ccccc21 ZINC001651516306 1195475449 /nfs/dbraw/zinc/47/54/49/1195475449.db2.gz OXWSKZCATGZEIN-ZDUSSCGKSA-N 1 1 314.389 3.429 20 5 DGBDMO CC[N@H+]1CC[C@@H]1CNc1ccc([N+](=O)[O-])c(-c2ccccc2)n1 ZINC001652157066 1195555449 /nfs/dbraw/zinc/55/54/49/1195555449.db2.gz DNVAMYPMKJLRQG-CQSZACIVSA-N 1 1 312.373 3.163 20 5 DGBDMO Cc1ccc([N+](=O)[O-])c(C)c1CN(C)[C@@H]1CC[N@H+](C(C)C)C1 ZINC001652653800 1195632186 /nfs/dbraw/zinc/63/21/86/1195632186.db2.gz ABFZSNJLIFEDLY-OAHLLOKOSA-N 1 1 305.422 3.126 20 5 DGBDMO Cc1ccc([N+](=O)[O-])c(C)c1C[N@@H+]1CCO[C@](C)(C2CC2)C1 ZINC001652814470 1195655124 /nfs/dbraw/zinc/65/51/24/1195655124.db2.gz OMPUYKZXAWLFHN-KRWDZBQOSA-N 1 1 304.390 3.213 20 5 DGBDMO Cc1ccc([N+](=O)[O-])c(C)c1C[N@H+]1CCO[C@](C)(C2CC2)C1 ZINC001652814470 1195655128 /nfs/dbraw/zinc/65/51/28/1195655128.db2.gz OMPUYKZXAWLFHN-KRWDZBQOSA-N 1 1 304.390 3.213 20 5 DGBDMO CCCCCC[N@@H+](C)CC(=O)Nc1cc(C)cc([N+](=O)[O-])c1 ZINC001653768735 1195749420 /nfs/dbraw/zinc/74/94/20/1195749420.db2.gz DLCFMJPFPIABMN-UHFFFAOYSA-N 1 1 307.394 3.354 20 5 DGBDMO CC(C)[C@H](O)CC[N@H+]1CCC[C@H](c2ccc([N+](=O)[O-])cc2)C1 ZINC001654498734 1195809923 /nfs/dbraw/zinc/80/99/23/1195809923.db2.gz HXFVNCFJSQZICD-DOTOQJQBSA-N 1 1 306.406 3.181 20 5 DGBDMO Cc1ccc([N+](=O)[O-])c(N2C[C@@H]3C[C@H]2C[N@H+]3Cc2ccccc2)c1 ZINC001655724200 1195956595 /nfs/dbraw/zinc/95/65/95/1195956595.db2.gz ODFNSTSOJFCMHX-IRXDYDNUSA-N 1 1 323.396 3.366 20 5 DGBDMO CCC[N@H+]1CCCC[C@H]1C(=O)Nc1ccc(C)c([N+](=O)[O-])c1 ZINC000072035429 1196026863 /nfs/dbraw/zinc/02/68/63/1196026863.db2.gz MTIZQZXAILLJKU-AWEZNQCLSA-N 1 1 305.378 3.106 20 5 DGBDMO CCn1cnc(Cl)c1C[NH2+][C@H](C)c1ccc([N+](=O)[O-])cc1 ZINC001656956379 1196087129 /nfs/dbraw/zinc/08/71/29/1196087129.db2.gz LUKUJLPMZIVCLL-SNVBAGLBSA-N 1 1 308.769 3.315 20 5 DGBDMO Cc1nn(C)c(Cl)c1C[NH2+][C@@H](C)c1cccc([N+](=O)[O-])c1 ZINC001657985243 1196198972 /nfs/dbraw/zinc/19/89/72/1196198972.db2.gz KBNPWXZYOVGBHF-VIFPVBQESA-N 1 1 308.769 3.141 20 5 DGBDMO CC(C)C(C[N@H+]1CC[C@H](Nc2ccc([N+](=O)[O-])cn2)C1)C(C)C ZINC001658278772 1196234461 /nfs/dbraw/zinc/23/44/61/1196234461.db2.gz OIWHQDHWWQBZQK-AWEZNQCLSA-N 1 1 320.437 3.404 20 5 DGBDMO C/C(=C/c1cccc([N+](=O)[O-])c1)C[N@H+]1C[C@@H](O)CC(C)(C)C1 ZINC001658730090 1196293118 /nfs/dbraw/zinc/29/31/18/1196293118.db2.gz ARSUTBSKPUBORM-DJXGBFBFSA-N 1 1 304.390 3.091 20 5 DGBDMO O=[N+]([O-])c1ccccc1OCC[N@H+]1CC[C@@H](C2CCCC2)C1 ZINC001659076294 1196341714 /nfs/dbraw/zinc/34/17/14/1196341714.db2.gz FPKLCTQFAUXBDZ-OAHLLOKOSA-N 1 1 304.390 3.486 20 5 DGBDMO Cc1ccc([N+](=O)[O-])c(C)c1C[N@H+]1C[C@H]2CSC[C@@]2(C)C1 ZINC001660846272 1196533832 /nfs/dbraw/zinc/53/38/32/1196533832.db2.gz MYMQECHNJCIJGK-XJKSGUPXSA-N 1 1 306.431 3.397 20 5 DGBDMO CC[NH+]1CC[C@H]([N@H+](C)Cc2c(C)ccc([N+](=O)[O-])c2C)[C@@H](C)C1 ZINC001663596025 1196910808 /nfs/dbraw/zinc/91/08/08/1196910808.db2.gz VUEPURWVOCGLFI-YOEHRIQHSA-N 1 1 319.449 3.374 20 5 DGBDMO CC[NH+]1CC[C@H]([N@@H+](C)Cc2c(C)ccc([N+](=O)[O-])c2C)[C@@H](C)C1 ZINC001663596025 1196910809 /nfs/dbraw/zinc/91/08/09/1196910809.db2.gz VUEPURWVOCGLFI-YOEHRIQHSA-N 1 1 319.449 3.374 20 5 DGBDMO CCN1CC[C@H]([N@H+](C)Cc2c(C)ccc([N+](=O)[O-])c2C)[C@@H](C)C1 ZINC001663596025 1196910811 /nfs/dbraw/zinc/91/08/11/1196910811.db2.gz VUEPURWVOCGLFI-YOEHRIQHSA-N 1 1 319.449 3.374 20 5 DGBDMO CCN1CC[C@H]([N@@H+](C)Cc2c(C)ccc([N+](=O)[O-])c2C)[C@@H](C)C1 ZINC001663596025 1196910812 /nfs/dbraw/zinc/91/08/12/1196910812.db2.gz VUEPURWVOCGLFI-YOEHRIQHSA-N 1 1 319.449 3.374 20 5 DGBDMO O=[N+]([O-])c1c(F)cccc1O[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000309558436 1199707224 /nfs/dbraw/zinc/70/72/24/1199707224.db2.gz OCLVCSHVBMXEFL-AWEZNQCLSA-N 1 1 316.332 3.387 20 5 DGBDMO C[N@H+]1CCC[C@H](CCNc2ncc([N+](=O)[O-])c3ccccc32)C1 ZINC001156377798 1081653202 /nfs/dbraw/zinc/65/32/02/1081653202.db2.gz GBJFMWSKDYJUED-CYBMUJFWSA-N 1 1 314.389 3.287 20 5 DGBDMO COc1c(O)ccc(C[N@H+]2CCCC[C@H]2C(C)C)c1[N+](=O)[O-] ZINC001658290016 1082074386 /nfs/dbraw/zinc/07/43/86/1082074386.db2.gz JKKPSIAOQDNOCB-ZDUSSCGKSA-N 1 1 308.378 3.320 20 5 DGBDMO CO[C@@H]1C[C@@H]([N@@H+](C)Cc2cccc([N+](=O)[O-])c2C)C12CCC2 ZINC001170324868 1082346101 /nfs/dbraw/zinc/34/61/01/1082346101.db2.gz TUUFHSGCWWCHRB-HZPDHXFCSA-N 1 1 304.390 3.293 20 5 DGBDMO C[C@@H]1C[C@@H](C)CN(CC[NH2+]C(C)(C)c2ccccc2[N+](=O)[O-])C1 ZINC001170649459 1083046223 /nfs/dbraw/zinc/04/62/23/1083046223.db2.gz DGVSAVYUMCPIBS-HUUCEWRRSA-N 1 1 319.449 3.397 20 5 DGBDMO C[C@@H]1CCCC[C@@H]1C[N@H+]1CC[C@@H](Nc2ccc([N+](=O)[O-])cn2)C1 ZINC001167778216 1083799602 /nfs/dbraw/zinc/79/96/02/1083799602.db2.gz BZBCGHINUJCAHV-RBSFLKMASA-N 1 1 318.421 3.302 20 5 DGBDMO C[C@H]1CCC[N@@H+](CCNc2ccc3cnccc3c2[N+](=O)[O-])C1 ZINC001184839323 1084273576 /nfs/dbraw/zinc/27/35/76/1084273576.db2.gz GJNRTOKUBJKQFI-ZDUSSCGKSA-N 1 1 314.389 3.287 20 5 DGBDMO C[C@@H]1CCC[N@H+]1CCNc1ncc([N+](=O)[O-])c2ccccc21 ZINC001185565319 1084472629 /nfs/dbraw/zinc/47/26/29/1084472629.db2.gz NKVCYURQMKFDLJ-GFCCVEGCSA-N 1 1 300.362 3.039 20 5 DGBDMO C[N@H+]1CCC[C@H](C(=O)Nc2cc3cccnc3c3ncccc23)C1 ZINC001186360752 1084634660 /nfs/dbraw/zinc/63/46/60/1084634660.db2.gz QJWXTLWXHIMDKX-AWEZNQCLSA-N 1 1 320.396 3.063 20 5 DGBDMO O=[N+]([O-])c1cc(F)c(N[C@H]2CCC[N@H+]3CCCC[C@@H]23)c(F)c1 ZINC001186873539 1084711893 /nfs/dbraw/zinc/71/18/93/1084711893.db2.gz YNJFUVSIXAVAMG-KBPBESRZSA-N 1 1 311.332 3.302 20 5 DGBDMO O=[N+]([O-])c1ccc(Cl)cc1OC1CC[NH+](CCF)CC1 ZINC001225710749 1085483761 /nfs/dbraw/zinc/48/37/61/1085483761.db2.gz OPWLODBCLHRPAK-UHFFFAOYSA-N 1 1 302.733 3.061 20 5 DGBDMO Cc1c(C)c(N[C@H]2CC[N@@H+](CC3CCCC3)C2)ncc1[N+](=O)[O-] ZINC001161186566 1089147413 /nfs/dbraw/zinc/14/74/13/1089147413.db2.gz PCQNSTUFNPIPCV-HNNXBMFYSA-N 1 1 318.421 3.283 20 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/nfs/dbraw/zinc/97/37/89/1090973789.db2.gz WOJHQLUOYMFNBQ-UHFFFAOYSA-N 1 1 313.357 3.171 20 5 DGBDMO C[N@@H+]1CCc2c(NC(C3CC3)C3CC3)ccc([N+](=O)[O-])c2C1 ZINC001168746654 1091044502 /nfs/dbraw/zinc/04/45/02/1091044502.db2.gz BXHSWPNBVQCPJV-UHFFFAOYSA-N 1 1 301.390 3.183 20 5 DGBDMO C[N@H+]1CCc2c(NC(C3CC3)C3CC3)ccc([N+](=O)[O-])c2C1 ZINC001168746654 1091044509 /nfs/dbraw/zinc/04/45/09/1091044509.db2.gz BXHSWPNBVQCPJV-UHFFFAOYSA-N 1 1 301.390 3.183 20 5 DGBDMO O=[N+]([O-])c1ccccc1Nc1ccc(C[NH+]2CCOCC2)cc1 ZINC001206164141 1091516466 /nfs/dbraw/zinc/51/64/66/1091516466.db2.gz FHAYRYCXIVEXBT-UHFFFAOYSA-N 1 1 313.357 3.171 20 5 DGBDMO CCOc1cc(NCC[N@H+]2CCC(C)(C)C2)ccc1[N+](=O)[O-] ZINC001307229639 1091847857 /nfs/dbraw/zinc/84/78/57/1091847857.db2.gz KZZFADOMIQCVEJ-UHFFFAOYSA-N 1 1 307.394 3.137 20 5 DGBDMO Cc1ccccc1O[C@@H]1CCC[N@H+]([C@H]2CC[C@@H](C[N+](=O)[O-])C2)C1 ZINC001169029706 1092494861 /nfs/dbraw/zinc/49/48/61/1092494861.db2.gz VJDSIVPTOCVSDM-IXDOHACOSA-N 1 1 318.417 3.284 20 5 DGBDMO COC[C@H]1C[N@@H+](Cc2c3ccccc3cc3ccccc32)CCN1 ZINC001210052090 1093028866 /nfs/dbraw/zinc/02/88/66/1093028866.db2.gz VVZOQJHAOUMCHA-GOSISDBHSA-N 1 1 320.436 3.413 20 5 DGBDMO Cc1cc(C)c([N+](=O)[O-])cc1NC(=O)[C@@H]1CCC[N@H+](C(C)C)C1 ZINC001135494947 1094553927 /nfs/dbraw/zinc/55/39/27/1094553927.db2.gz OMDNOEWASOZRCV-CQSZACIVSA-N 1 1 319.405 3.271 20 5 DGBDMO O=[N+]([O-])c1cccc(-c2cccc(O[C@H]3C[NH2+]CC3(F)F)c2)c1 ZINC001218236526 1094671250 /nfs/dbraw/zinc/67/12/50/1094671250.db2.gz IVHOXXWCUOKEJA-HNNXBMFYSA-N 1 1 320.295 3.248 20 5 DGBDMO C[C@@H](Nc1ccc(N)cc1[N+](=O)[O-])[C@H]1CCC[N@H+](C2CCC2)C1 ZINC001337914512 1095137330 /nfs/dbraw/zinc/13/73/30/1095137330.db2.gz MWVSSVSIAFFFTD-OLZOCXBDSA-N 1 1 318.421 3.242 20 5 DGBDMO CS[C@H]1CC[C@H]([N@@H+](C)Cn2ncc3cc([N+](=O)[O-])ccc32)C1 ZINC001116145496 1095468857 /nfs/dbraw/zinc/46/88/57/1095468857.db2.gz GYXNVBVPBLSIGL-JSGCOSHPSA-N 1 1 320.418 3.118 20 5 DGBDMO O=[N+]([O-])c1ccc([C@H](O)C[N@H+]2CC[C@H]3CCCC[C@@H]3C2)cc1 ZINC001116478406 1095570659 /nfs/dbraw/zinc/57/06/59/1095570659.db2.gz HVOJMUXTYBFIKD-FRFSOERESA-N 1 1 304.390 3.140 20 5 DGBDMO Cc1ccc(CO[C@@H]2[C@@H]3CCC[C@H]2C[N@H+](C)C3)cc1[N+](=O)[O-] ZINC001223221563 1095908028 /nfs/dbraw/zinc/90/80/28/1095908028.db2.gz GCSHGPGTHBBLMJ-SCAQPMJSSA-N 1 1 304.390 3.150 20 5 DGBDMO Cc1cccc([N+](=O)[O-])c1CO[C@@H]1[C@@H]2CCC[C@H]1C[N@H+](C)C2 ZINC001223539442 1095995736 /nfs/dbraw/zinc/99/57/36/1095995736.db2.gz RUNDGXNNRVNONW-XOIINTDNSA-N 1 1 304.390 3.150 20 5 DGBDMO COc1cc([N+](=O)[O-])ccc1[C@H](C)[NH2+][C@H]1CCCC[C@H]1N(C)C ZINC001118486546 1096020950 /nfs/dbraw/zinc/02/09/50/1096020950.db2.gz HBWOGNXDZTVDSH-VBNZEHGJSA-N 1 1 321.421 3.127 20 5 DGBDMO O=[N+]([O-])c1ccc2c(c1)C[N@@H+](CC[C@@H](O)c1ccccc1)CC2 ZINC001119251604 1096145123 /nfs/dbraw/zinc/14/51/23/1096145123.db2.gz ZWEDIZLPGVWMST-GOSISDBHSA-N 1 1 312.369 3.077 20 5 DGBDMO O=[N+]([O-])c1ccc(CO[C@@H]2CCc3[nH+]ccn3C2)c2ccccc21 ZINC001224205697 1096162732 /nfs/dbraw/zinc/16/27/32/1096162732.db2.gz JXNFWNZFSOYYEO-CQSZACIVSA-N 1 1 323.352 3.476 20 5 DGBDMO CC(C)[N@@H+]1[C@@H]2CC[C@H]1C[C@@H](Oc1cc([O-])ccc1[N+](=O)[O-])C2 ZINC001225490066 1096447111 /nfs/dbraw/zinc/44/71/11/1096447111.db2.gz FNGZSFFNAGJLMF-IMRBUKKESA-N 1 1 306.362 3.083 20 5 DGBDMO CC(C)[N@H+]1[C@@H]2CC[C@H]1C[C@@H](Oc1cc(O)ccc1[N+](=O)[O-])C2 ZINC001225490066 1096447117 /nfs/dbraw/zinc/44/71/17/1096447117.db2.gz FNGZSFFNAGJLMF-IMRBUKKESA-N 1 1 306.362 3.083 20 5 DGBDMO CC(C)[N@@H+]1[C@@H]2CC[C@H]1C[C@@H](Oc1cc(O)ccc1[N+](=O)[O-])C2 ZINC001225490066 1096447123 /nfs/dbraw/zinc/44/71/23/1096447123.db2.gz FNGZSFFNAGJLMF-IMRBUKKESA-N 1 1 306.362 3.083 20 5 DGBDMO O=[N+]([O-])c1cccc(F)c1O[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC001226007535 1096587394 /nfs/dbraw/zinc/58/73/94/1096587394.db2.gz PIGSKRWWJPYXQI-AWEZNQCLSA-N 1 1 316.332 3.387 20 5 DGBDMO CC[N@H+]1CCC[C@@H](Oc2ccc([N+](=O)[O-])cc2C(F)(F)F)C1 ZINC001226312839 1096659583 /nfs/dbraw/zinc/65/95/83/1096659583.db2.gz 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DGBDMO CC(C)Oc1ccc([N+](=O)[O-])cc1C[N@H+]1CCCSCC1 ZINC000089980070 185273712 /nfs/dbraw/zinc/27/37/12/185273712.db2.gz JMLCHPDNQXVFRO-UHFFFAOYSA-N 1 1 310.419 3.321 20 5 DGBDMO Cc1cc(C[C@@H](C)[NH2+][C@H](C)c2ccc(C)c([N+](=O)[O-])c2)n[nH]1 ZINC000090528883 185300678 /nfs/dbraw/zinc/30/06/78/185300678.db2.gz GXUGIYIDQANVAK-DGCLKSJQSA-N 1 1 302.378 3.217 20 5 DGBDMO COc1cc(C[N@H+]2CCC[C@@H]3CCC[C@@H]32)c([N+](=O)[O-])cc1OC ZINC000092485607 185321832 /nfs/dbraw/zinc/32/18/32/185321832.db2.gz BAZLGCPLFXBVMB-JSGCOSHPSA-N 1 1 320.389 3.377 20 5 DGBDMO CO[C@@H]1[C@H]2C[C@H]3C[N@@H+](Cc4ccc([N+](=O)[O-])cc4Cl)[C@H]1[C@H]3C2 ZINC000286656506 219106989 /nfs/dbraw/zinc/10/69/89/219106989.db2.gz UKXDEVBSDSPWTM-GSJWJAIFSA-N 1 1 322.792 3.103 20 5 DGBDMO C[N@@H+](CCCCNc1ccc([N+](=O)[O-])c2cccnc12)C1CC1 ZINC000413347232 529884260 /nfs/dbraw/zinc/88/42/60/529884260.db2.gz KPMAXZHNFRYTAT-UHFFFAOYSA-N 1 1 314.389 3.429 20 5 DGBDMO C[N@@H+](CCNc1nccc2ccc([N+](=O)[O-])cc21)C1CCCC1 ZINC000413129224 529918398 /nfs/dbraw/zinc/91/83/98/529918398.db2.gz XNYKXMSIASBCBH-UHFFFAOYSA-N 1 1 314.389 3.429 20 5 DGBDMO C[N@H+](Cc1cccs1)Cc1nc2cc([N+](=O)[O-])ccc2o1 ZINC000434837081 530009837 /nfs/dbraw/zinc/00/98/37/530009837.db2.gz QZLMCJIOWOHHFF-UHFFFAOYSA-N 1 1 303.343 3.430 20 5 DGBDMO C[N@@H+](Cc1cccs1)Cc1nc2cc([N+](=O)[O-])ccc2o1 ZINC000434837081 530009838 /nfs/dbraw/zinc/00/98/38/530009838.db2.gz QZLMCJIOWOHHFF-UHFFFAOYSA-N 1 1 303.343 3.430 20 5 DGBDMO Cc1noc(C)c1CC[N@@H+](Cc1ccccc1[N+](=O)[O-])C1CC1 ZINC000119671884 282381072 /nfs/dbraw/zinc/38/10/72/282381072.db2.gz CWBOYTVFDKDRPB-UHFFFAOYSA-N 1 1 315.373 3.407 20 5 DGBDMO CCC[N@@H+]1Cc2cccc(NC(=O)c3ccc([N+](=O)[O-])o3)c2C1 ZINC000066515012 432017699 /nfs/dbraw/zinc/01/76/99/432017699.db2.gz HUYGQONYBMASHP-UHFFFAOYSA-N 1 1 315.329 3.166 20 5 DGBDMO CCC[N@H+]1Cc2cccc(NC(=O)c3ccc([N+](=O)[O-])o3)c2C1 ZINC000066515012 432017702 /nfs/dbraw/zinc/01/77/02/432017702.db2.gz HUYGQONYBMASHP-UHFFFAOYSA-N 1 1 315.329 3.166 20 5 DGBDMO CC[C@H]1CCCCC[N@H+]1CC(=O)N(C)c1ccc([N+](=O)[O-])cc1 ZINC000150737628 186061340 /nfs/dbraw/zinc/06/13/40/186061340.db2.gz WTRAYNQQKFQAOQ-AWEZNQCLSA-N 1 1 319.405 3.212 20 5 DGBDMO O=C1CCCC12CC[NH+](Cc1cc(F)ccc1[N+](=O)[O-])CC2 ZINC000852632279 620635506 /nfs/dbraw/zinc/63/55/06/620635506.db2.gz SUPVGPXFYANGJD-UHFFFAOYSA-N 1 1 306.337 3.069 20 5 DGBDMO O=C(C[N@H+]1CCC[C@@H]2CCCC[C@@H]21)Nc1ccccc1[N+](=O)[O-] ZINC000067132596 432027257 /nfs/dbraw/zinc/02/72/57/432027257.db2.gz YXRYJSJXYABHKA-ZFWWWQNUSA-N 1 1 317.389 3.188 20 5 DGBDMO CC1(C)COCC[N@@H+]1Cc1ccc(-c2cccc([N+](=O)[O-])c2)o1 ZINC000130888510 432030449 /nfs/dbraw/zinc/03/04/49/432030449.db2.gz FQBCULSRURMGRZ-UHFFFAOYSA-N 1 1 316.357 3.466 20 5 DGBDMO CC1(C)COCC[N@H+]1Cc1ccc(-c2cccc([N+](=O)[O-])c2)o1 ZINC000130888510 432030450 /nfs/dbraw/zinc/03/04/50/432030450.db2.gz FQBCULSRURMGRZ-UHFFFAOYSA-N 1 1 316.357 3.466 20 5 DGBDMO Cc1cc[nH+]c(N[C@H]2CCCC[C@H]2n2ccc([N+](=O)[O-])n2)c1 ZINC000331891245 234243152 /nfs/dbraw/zinc/24/31/52/234243152.db2.gz KAYQTQVGLVXNCV-QWHCGFSZSA-N 1 1 301.350 3.091 20 5 DGBDMO COc1ccc([N+](=O)[O-])cc1C[NH+]1CCC(C(F)(F)F)CC1 ZINC000174187576 198303588 /nfs/dbraw/zinc/30/35/88/198303588.db2.gz SFTKKRJHYCEFQY-UHFFFAOYSA-N 1 1 318.295 3.378 20 5 DGBDMO C[C@H]1C[C@@H](c2cccc(F)c2)[N@@H+](CCn2cc([N+](=O)[O-])cn2)C1 ZINC000174877133 198395694 /nfs/dbraw/zinc/39/56/94/198395694.db2.gz XNMXXSRCNWWPPL-LRDDRELGSA-N 1 1 318.352 3.014 20 5 DGBDMO CC[N@@H+](C)C[C@H]1CCN(Cc2cc(Cl)ccc2[N+](=O)[O-])C1 ZINC000174880951 198396821 /nfs/dbraw/zinc/39/68/21/198396821.db2.gz CDQAOLWFFWXBFQ-GFCCVEGCSA-N 1 1 311.813 3.022 20 5 DGBDMO CCCn1ccnc1CCC[N@@H+](C)Cc1csc([N+](=O)[O-])c1 ZINC000277038209 213256272 /nfs/dbraw/zinc/25/62/72/213256272.db2.gz BPXOOQMWAABWME-UHFFFAOYSA-N 1 1 322.434 3.327 20 5 DGBDMO CC[NH+](CC)[C@@H](CNCc1ccccc1[N+](=O)[O-])c1ccco1 ZINC000236850106 202037242 /nfs/dbraw/zinc/03/72/42/202037242.db2.gz WFNYAPWBIAWUPU-INIZCTEOSA-N 1 1 317.389 3.361 20 5 DGBDMO C[C@@H]1C[C@@H](Nc2ccc([N+](=O)[O-])c3cnccc23)C[N@H+]1C1CC1 ZINC000133545369 432066360 /nfs/dbraw/zinc/06/63/60/432066360.db2.gz MENWXTKMANHHJC-VXGBXAGGSA-N 1 1 312.373 3.180 20 5 DGBDMO COc1cccc(C[N@H+](Cc2ccc([N+](=O)[O-])cc2)C2CC2)n1 ZINC000179518256 199049064 /nfs/dbraw/zinc/04/90/64/199049064.db2.gz UIVZUAAFRLWSIT-UHFFFAOYSA-N 1 1 313.357 3.163 20 5 DGBDMO COc1cccc(C[N@@H+](Cc2ccc([N+](=O)[O-])cc2)C2CC2)n1 ZINC000179518256 199049065 /nfs/dbraw/zinc/04/90/65/199049065.db2.gz UIVZUAAFRLWSIT-UHFFFAOYSA-N 1 1 313.357 3.163 20 5 DGBDMO O=[N+]([O-])c1ccc(OCC[N@@H+](Cc2cccnc2)C2CC2)cc1 ZINC000180730614 199202797 /nfs/dbraw/zinc/20/27/97/199202797.db2.gz QJCGXOYSQQUCDD-UHFFFAOYSA-N 1 1 313.357 3.033 20 5 DGBDMO CC[C@]1(CO)CCC[N@H+](Cc2ccc(Cl)c([N+](=O)[O-])c2)C1 ZINC000187561075 200128252 /nfs/dbraw/zinc/12/82/52/200128252.db2.gz YBXGWNXZASVCPU-HNNXBMFYSA-N 1 1 312.797 3.233 20 5 DGBDMO CC[C@]1(CO)CCC[N@@H+](Cc2ccc(Cl)c([N+](=O)[O-])c2)C1 ZINC000187561075 200128253 /nfs/dbraw/zinc/12/82/53/200128253.db2.gz YBXGWNXZASVCPU-HNNXBMFYSA-N 1 1 312.797 3.233 20 5 DGBDMO C[C@H]1CCCC[N@@H+](Cc2nnc(-c3ccc([N+](=O)[O-])cc3)o2)C1 ZINC000187925272 200177615 /nfs/dbraw/zinc/17/76/15/200177615.db2.gz BZALTWSUBAVHCH-LBPRGKRZSA-N 1 1 316.361 3.267 20 5 DGBDMO COCC(C)(C)[N@@H+](C)Cc1cc([N+](=O)[O-])ccc1OC(C)C ZINC000429234698 238044342 /nfs/dbraw/zinc/04/43/42/238044342.db2.gz PLVQYDWVBFRYII-UHFFFAOYSA-N 1 1 310.394 3.239 20 5 DGBDMO C[C@@H]1CC[C@@H]([N@@H+](C)Cc2nc(-c3ccc([N+](=O)[O-])cc3)no2)C1 ZINC000429566442 238055189 /nfs/dbraw/zinc/05/51/89/238055189.db2.gz KBARANWAAIHXLO-BXUZGUMPSA-N 1 1 316.361 3.265 20 5 DGBDMO C[C@H]1CCC[N@@H+](CCNc2ccnc3c2cccc3[N+](=O)[O-])C1 ZINC000432350088 238125981 /nfs/dbraw/zinc/12/59/81/238125981.db2.gz XIEWHMUBOQITTB-ZDUSSCGKSA-N 1 1 314.389 3.287 20 5 DGBDMO O=[N+]([O-])c1cnc(NC[C@H]2CCCC[N@H+]2C2CC2)c(Cl)c1 ZINC000433809928 238168867 /nfs/dbraw/zinc/16/88/67/238168867.db2.gz XJJQEFGBUZVQHZ-LLVKDONJSA-N 1 1 310.785 3.072 20 5 DGBDMO [NH3+][C@@H]1CCC[C@H](NCc2ccc(-c3ccccc3[N+](=O)[O-])o2)C1 ZINC000414933992 283584132 /nfs/dbraw/zinc/58/41/32/283584132.db2.gz XNPPUKBLCFURAV-OLZOCXBDSA-N 1 1 315.373 3.214 20 5 DGBDMO COc1ccc(C[N@@H+](Cc2ccc([N+](=O)[O-])cc2)C(C)C)nc1 ZINC000271893592 209303545 /nfs/dbraw/zinc/30/35/45/209303545.db2.gz FKLSJLLUSKJKJK-UHFFFAOYSA-N 1 1 315.373 3.409 20 5 DGBDMO C[C@H](c1ccccc1[N+](=O)[O-])N(C)CC[C@H]1CCCC[N@H+]1C ZINC000441356938 239041350 /nfs/dbraw/zinc/04/13/50/239041350.db2.gz MSOZICYDOJJXBM-HUUCEWRRSA-N 1 1 305.422 3.462 20 5 DGBDMO Cc1cc([N+](=O)[O-])ccc1NC(=O)C[N@@H+]1CC[C@@H](C)C[C@H](C)C1 ZINC000443643992 239222448 /nfs/dbraw/zinc/22/24/48/239222448.db2.gz WSZFEAOTICWOPB-OLZOCXBDSA-N 1 1 319.405 3.210 20 5 DGBDMO Cc1cccc([N+](=O)[O-])c1NC(=O)C[N@H+]1CCC[C@H](C(C)C)C1 ZINC000444772594 239347735 /nfs/dbraw/zinc/34/77/35/239347735.db2.gz WFLWOPIMAUENMI-AWEZNQCLSA-N 1 1 319.405 3.210 20 5 DGBDMO Cc1cccc([N+](=O)[O-])c1NC(=O)C[N@@H+]1CCC[C@H](C(C)C)C1 ZINC000444772594 239347740 /nfs/dbraw/zinc/34/77/40/239347740.db2.gz WFLWOPIMAUENMI-AWEZNQCLSA-N 1 1 319.405 3.210 20 5 DGBDMO CC(C)[C@H]1CCC[N@H+]1CCC(=O)Nc1cc([N+](=O)[O-])ccc1F ZINC000275525053 212395098 /nfs/dbraw/zinc/39/50/98/212395098.db2.gz WHPXZYZCGXSFIM-OAHLLOKOSA-N 1 1 323.368 3.183 20 5 DGBDMO COc1cc(F)cc(C[NH2+]Cc2cc([N+](=O)[O-])ccc2OC)c1 ZINC000449131361 240031740 /nfs/dbraw/zinc/03/17/40/240031740.db2.gz MBNDUTQCXSOZOK-UHFFFAOYSA-N 1 1 320.320 3.041 20 5 DGBDMO O=[N+]([O-])c1ccc([C@H]2CCC[N@@H+](C[C@H]3CCCOC3)C2)cc1 ZINC000449499647 240249243 /nfs/dbraw/zinc/24/92/43/240249243.db2.gz MJSVVWOCZXBIRC-ZBFHGGJFSA-N 1 1 304.390 3.201 20 5 DGBDMO O=[N+]([O-])c1ccc([C@@H]2CCC[N@@H+](CC[C@@H]3CCOC3)C2)cc1 ZINC000449504861 240253825 /nfs/dbraw/zinc/25/38/25/240253825.db2.gz WJBGRLIRQDZBBK-GDBMZVCRSA-N 1 1 304.390 3.201 20 5 DGBDMO C[C@@H](c1ccccn1)[N@@H+](C)CCCOc1ccc([N+](=O)[O-])cc1 ZINC000091701937 193093964 /nfs/dbraw/zinc/09/39/64/193093964.db2.gz BSDPVBQMAWSJMM-AWEZNQCLSA-N 1 1 315.373 3.452 20 5 DGBDMO C[N@@H+](CCC1CC1)Cc1cc([N+](=O)[O-])ccc1OC(F)F ZINC000092067241 193152333 /nfs/dbraw/zinc/15/23/33/193152333.db2.gz QEMRBBIRJLHCAK-UHFFFAOYSA-N 1 1 300.305 3.428 20 5 DGBDMO CCOc1cc(C[N@@H+]2CC[C@H](OCC)[C@@H](C)C2)ccc1[N+](=O)[O-] ZINC000451548634 241168036 /nfs/dbraw/zinc/16/80/36/241168036.db2.gz VFTKKXPMJLOOCL-BBRMVZONSA-N 1 1 322.405 3.240 20 5 DGBDMO Cc1cc(F)ccc1[C@H]1CCC[N@H+]1CCn1ccc([N+](=O)[O-])n1 ZINC000451967727 241287411 /nfs/dbraw/zinc/28/74/11/241287411.db2.gz HLNSKTXYSBFCRA-OAHLLOKOSA-N 1 1 318.352 3.076 20 5 DGBDMO CCC[C@H](C)[C@@H]1CCC[N@H+]1Cc1ccc(C(N)=O)cc1[N+](=O)[O-] ZINC000135328577 432111718 /nfs/dbraw/zinc/11/17/18/432111718.db2.gz GWMKRKJBBZIFNC-WFASDCNBSA-N 1 1 319.405 3.094 20 5 DGBDMO COc1ccc(C[N@H+](C)[C@H](C)c2cccnc2)cc1[N+](=O)[O-] ZINC000171240300 432114613 /nfs/dbraw/zinc/11/46/13/432114613.db2.gz KWWOEFKLOZEQJP-GFCCVEGCSA-N 1 1 301.346 3.191 20 5 DGBDMO COc1ccc(C[N@@H+](C)[C@H](C)c2cccnc2)cc1[N+](=O)[O-] ZINC000171240300 432114614 /nfs/dbraw/zinc/11/46/14/432114614.db2.gz KWWOEFKLOZEQJP-GFCCVEGCSA-N 1 1 301.346 3.191 20 5 DGBDMO CC(C)Oc1ccc([N+](=O)[O-])cc1C[N@H+]1CCCC[C@H]1[C@H](C)O ZINC000246300797 432116748 /nfs/dbraw/zinc/11/67/48/432116748.db2.gz DRJUORFXDKTCCP-BBRMVZONSA-N 1 1 322.405 3.117 20 5 DGBDMO O=[N+]([O-])c1ccc(C[NH2+]Cc2cnc(C3CC3)nc2)c(Cl)c1 ZINC000459471695 243382668 /nfs/dbraw/zinc/38/26/68/243382668.db2.gz BMDBAZRUMASCDH-UHFFFAOYSA-N 1 1 318.764 3.205 20 5 DGBDMO CCC[NH+]1CCC(NC/C(C)=C\c2cccc([N+](=O)[O-])c2)CC1 ZINC000468620325 244057527 /nfs/dbraw/zinc/05/75/27/244057527.db2.gz JLVVNXKEZZRBNE-QINSGFPZSA-N 1 1 317.433 3.462 20 5 DGBDMO CCCN1CCC([NH2+]C/C(C)=C\c2cccc([N+](=O)[O-])c2)CC1 ZINC000468620325 244057533 /nfs/dbraw/zinc/05/75/33/244057533.db2.gz JLVVNXKEZZRBNE-QINSGFPZSA-N 1 1 317.433 3.462 20 5 DGBDMO CCOC[C@H]1CC[N@@H+](C/C(C)=C/c2cccc([N+](=O)[O-])c2)C1 ZINC000470174863 244151362 /nfs/dbraw/zinc/15/13/62/244151362.db2.gz WZMNXEPFSQBPGK-IDJPSDCMSA-N 1 1 304.390 3.357 20 5 DGBDMO CCOC[C@H]1CC[N@@H+](C/C(C)=C\c2cccc([N+](=O)[O-])c2)C1 ZINC000470174865 244153810 /nfs/dbraw/zinc/15/38/10/244153810.db2.gz WZMNXEPFSQBPGK-MBSJSRAVSA-N 1 1 304.390 3.357 20 5 DGBDMO C[C@H](c1ccccc1[N+](=O)[O-])N1CC[C@@H](C[N@@H+](C)CC2CC2)C1 ZINC000470974146 244198213 /nfs/dbraw/zinc/19/82/13/244198213.db2.gz IUDIMXOFDISXRV-ZBFHGGJFSA-N 1 1 317.433 3.320 20 5 DGBDMO C[C@@H]1C[C@@H](N(C)Cc2c(Cl)cccc2[N+](=O)[O-])CC[N@H+]1C ZINC000119285747 284139506 /nfs/dbraw/zinc/13/95/06/284139506.db2.gz KNFOMBBHKXGIJM-NEPJUHHUSA-N 1 1 311.813 3.163 20 5 DGBDMO COc1cc(C[N@@H+]2C[C@@H]3CCCC[C@@H]3C2)c([N+](=O)[O-])cc1OC ZINC000093441984 193252752 /nfs/dbraw/zinc/25/27/52/193252752.db2.gz VKJBYGICNIHUIB-BETUJISGSA-N 1 1 320.389 3.234 20 5 DGBDMO Cc1ccccc1[C@@H](C(C)C)[N@@H+](C)CCn1ccc([N+](=O)[O-])n1 ZINC000478033664 244601033 /nfs/dbraw/zinc/60/10/33/244601033.db2.gz NMXDXPKMRNNQQT-QGZVFWFLSA-N 1 1 316.405 3.429 20 5 DGBDMO CC[C@@H](Cc1ccccc1)[N@@H+](CC)CCn1ccc([N+](=O)[O-])n1 ZINC000120542756 284172093 /nfs/dbraw/zinc/17/20/93/284172093.db2.gz YIOYUBQWMIQHJL-INIZCTEOSA-N 1 1 316.405 3.135 20 5 DGBDMO C[C@H]1[C@@H](Nc2ncc([N+](=O)[O-])s2)CC[N@H+]1Cc1ccccc1 ZINC000288225965 220028615 /nfs/dbraw/zinc/02/86/15/220028615.db2.gz NEAFHKUQKXKFAX-AAEUAGOBSA-N 1 1 318.402 3.126 20 5 DGBDMO C[C@@H]([NH2+]CC(=O)N1[C@H](C)CCC[C@@H]1C)c1ccccc1[N+](=O)[O-] ZINC000271689393 209128290 /nfs/dbraw/zinc/12/82/90/209128290.db2.gz DYJOMZFZPFPDIA-HZSPNIEDSA-N 1 1 319.405 3.035 20 5 DGBDMO CC(C)C[C@H](CO)[N@H+](C)Cc1c(Cl)cccc1[N+](=O)[O-] ZINC000494701818 246183433 /nfs/dbraw/zinc/18/34/33/246183433.db2.gz FZQMRHUVGNUMGS-LLVKDONJSA-N 1 1 300.786 3.087 20 5 DGBDMO CC(C)C[C@H](CO)[N@@H+](C)Cc1c(Cl)cccc1[N+](=O)[O-] ZINC000494701818 246183436 /nfs/dbraw/zinc/18/34/36/246183436.db2.gz FZQMRHUVGNUMGS-LLVKDONJSA-N 1 1 300.786 3.087 20 5 DGBDMO Cc1ccc([C@H](C)N[C@@H]2CC[N@H+]3CCCC[C@@H]23)cc1[N+](=O)[O-] ZINC000268799192 432136416 /nfs/dbraw/zinc/13/64/16/432136416.db2.gz XVQTXAOJKTXCFY-IMJJTQAJSA-N 1 1 303.406 3.181 20 5 DGBDMO Cc1ccc([C@H](C)[NH2+][C@@H]2CCN3CCCC[C@@H]23)cc1[N+](=O)[O-] ZINC000268799192 432136418 /nfs/dbraw/zinc/13/64/18/432136418.db2.gz XVQTXAOJKTXCFY-IMJJTQAJSA-N 1 1 303.406 3.181 20 5 DGBDMO CN(C(=O)C[N@@H+](C)C1CCCCCC1)c1ccc([N+](=O)[O-])cc1 ZINC000105350975 194098967 /nfs/dbraw/zinc/09/89/67/194098967.db2.gz ODRSYCJVVJEZQV-UHFFFAOYSA-N 1 1 319.405 3.212 20 5 DGBDMO CCOc1cc(C[N@H+]2CCC[C@@H]2[C@H]2CCCO2)ccc1[N+](=O)[O-] ZINC000284857639 218209945 /nfs/dbraw/zinc/20/99/45/218209945.db2.gz RWYPHJWABSBZEC-GDBMZVCRSA-N 1 1 320.389 3.137 20 5 DGBDMO C[N@@H+](CCc1ccccc1[N+](=O)[O-])Cc1ccc([N+](=O)[O-])cc1 ZINC000285295059 218369179 /nfs/dbraw/zinc/36/91/79/218369179.db2.gz KRXRYLTZGZBYFM-UHFFFAOYSA-N 1 1 315.329 3.178 20 5 DGBDMO CC(C)n1nccc1C[N@@H+](C)CCc1ccccc1[N+](=O)[O-] ZINC000285356139 218395036 /nfs/dbraw/zinc/39/50/36/218395036.db2.gz PYUIQTKMQIWBPO-UHFFFAOYSA-N 1 1 302.378 3.047 20 5 DGBDMO C[C@H]1C[C@@H](Nc2ccc([N+](=O)[O-])c3cccnc23)CC[N@H+]1C ZINC000336853244 253008210 /nfs/dbraw/zinc/00/82/10/253008210.db2.gz FYDZAXIFNNKISS-RYUDHWBXSA-N 1 1 300.362 3.038 20 5 DGBDMO C[C@@H]1CCCC[C@H]1[N@@H+](C)CCC(=O)Nc1ccccc1[N+](=O)[O-] ZINC000336969560 253028399 /nfs/dbraw/zinc/02/83/99/253028399.db2.gz BOLCZFSGWVTTMD-UKRRQHHQSA-N 1 1 319.405 3.434 20 5 DGBDMO O=[N+]([O-])c1ccccc1OCC[N@H+]1CC=C(C(F)(F)F)CC1 ZINC000270133526 208192700 /nfs/dbraw/zinc/19/27/00/208192700.db2.gz BYTKLWYSEHBHQJ-UHFFFAOYSA-N 1 1 316.279 3.168 20 5 DGBDMO O=[N+]([O-])c1ccccc1OCC[N@@H+]1CC=C(C(F)(F)F)CC1 ZINC000270133526 208192705 /nfs/dbraw/zinc/19/27/05/208192705.db2.gz BYTKLWYSEHBHQJ-UHFFFAOYSA-N 1 1 316.279 3.168 20 5 DGBDMO C[C@H]1CC[N@@H+](CCC(=O)Nc2ccccc2[N+](=O)[O-])C[C@H](C)C1 ZINC000337318905 253086180 /nfs/dbraw/zinc/08/61/80/253086180.db2.gz NFVPUDKIDQTHEK-UONOGXRCSA-N 1 1 319.405 3.291 20 5 DGBDMO Cc1cnc(N[C@@H](C)[C@H]2CCC[N@H+](C3CCC3)C2)c([N+](=O)[O-])c1 ZINC000273011023 210391328 /nfs/dbraw/zinc/39/13/28/210391328.db2.gz SDGISJILQFLEAM-KBPBESRZSA-N 1 1 318.421 3.363 20 5 DGBDMO Cc1cccc(N(C)CCC[N@@H+](C)Cc2ccco2)c1[N+](=O)[O-] ZINC000338723243 253341841 /nfs/dbraw/zinc/34/18/41/253341841.db2.gz FOVJTSMPWHTMJQ-UHFFFAOYSA-N 1 1 317.389 3.455 20 5 DGBDMO COCc1ccc(C[N@@H+](C)CCc2cccc([N+](=O)[O-])c2)cc1 ZINC000338957491 253379231 /nfs/dbraw/zinc/37/92/31/253379231.db2.gz GGWZEYVOEIWIDT-UHFFFAOYSA-N 1 1 314.385 3.416 20 5 DGBDMO O=[N+]([O-])c1ccc([C@H]2CCC[N@@H+](CC[C@H]3CCCO3)C2)cc1 ZINC000451544404 285139348 /nfs/dbraw/zinc/13/93/48/285139348.db2.gz FFRUPPDNNBQICH-DOTOQJQBSA-N 1 1 304.390 3.343 20 5 DGBDMO O=[N+]([O-])c1cccc(Cl)c1C[N@H+]1CC[C@H]([C@H]2CCOC2)C1 ZINC000492299380 285154648 /nfs/dbraw/zinc/15/46/48/285154648.db2.gz ZUZPGOHTXPLAGP-RYUDHWBXSA-N 1 1 310.781 3.107 20 5 DGBDMO CCC[N@H+]1CCC[C@H]1CNc1ccc(C(=O)CC)cc1[N+](=O)[O-] ZINC000343970748 254207732 /nfs/dbraw/zinc/20/77/32/254207732.db2.gz IOKJYUXUNINJLD-AWEZNQCLSA-N 1 1 319.405 3.474 20 5 DGBDMO CC(C)Oc1ccc([N+](=O)[O-])cc1CO[C@H](C)Cc1[nH]cc[nH+]1 ZINC000343650254 254172987 /nfs/dbraw/zinc/17/29/87/254172987.db2.gz QJYADUKFNBEJHU-GFCCVEGCSA-N 1 1 319.361 3.253 20 5 DGBDMO CCC(C)(C)[N@@H+](C)CCCn1c(=O)oc2ccc([N+](=O)[O-])cc21 ZINC000343886489 254199578 /nfs/dbraw/zinc/19/95/78/254199578.db2.gz QFMWQJKFEANRON-UHFFFAOYSA-N 1 1 321.377 3.013 20 5 DGBDMO CC[C@H]1CCC[N@H+]([C@@H](C)C(=O)Nc2ccccc2[N+](=O)[O-])CC1 ZINC000343888005 254200019 /nfs/dbraw/zinc/20/00/19/254200019.db2.gz UDFUFZWIXGQTKG-KBPBESRZSA-N 1 1 319.405 3.434 20 5 DGBDMO O=c1cc(C[N@@H+]2CCC[C@H](O)CC2)c2c(ccc3ccccc32)o1 ZINC000292976638 285217199 /nfs/dbraw/zinc/21/71/99/285217199.db2.gz AYUBFQBBXQDSLK-INIZCTEOSA-N 1 1 323.392 3.293 20 5 DGBDMO Cc1ccc2ncc(C[N@@H+](C)CCc3ccccc3[N+](=O)[O-])n2c1 ZINC000289657916 221133996 /nfs/dbraw/zinc/13/39/96/221133996.db2.gz YKHLZQYAQUWUCM-UHFFFAOYSA-N 1 1 324.384 3.225 20 5 DGBDMO O=[N+]([O-])c1cccc(C[N@@H+]2CC3(CCC3)[C@@H]2[C@@H]2CCCO2)c1 ZINC000289749667 221200100 /nfs/dbraw/zinc/20/01/00/221200100.db2.gz YPDJWBPINSRAPN-HOTGVXAUSA-N 1 1 302.374 3.128 20 5 DGBDMO O=[N+]([O-])c1cccc(C[N@H+]2CC3(CCC3)[C@@H]2[C@@H]2CCCO2)c1 ZINC000289749667 221200102 /nfs/dbraw/zinc/20/01/02/221200102.db2.gz YPDJWBPINSRAPN-HOTGVXAUSA-N 1 1 302.374 3.128 20 5 DGBDMO C/C(=C/c1cccc([N+](=O)[O-])c1)C[N@H+]1CCOC2(CCC2)C1 ZINC000470181331 533383755 /nfs/dbraw/zinc/38/37/55/533383755.db2.gz BBYYMHAIQLJJTR-UVTDQMKNSA-N 1 1 302.374 3.253 20 5 DGBDMO C/C(=C\c1cccc([N+](=O)[O-])c1)CN1CC[N@@H+](C)[C@@H](C(C)C)C1 ZINC000488570579 533407645 /nfs/dbraw/zinc/40/76/45/533407645.db2.gz DLAOHXHCCWAFDA-SPQRHKFCSA-N 1 1 317.433 3.270 20 5 DGBDMO COc1ccc(C[N@@H+]2CCc3cccc(C)c3C2)cc1[N+](=O)[O-] ZINC000429595586 533570807 /nfs/dbraw/zinc/57/08/07/533570807.db2.gz KKXPHQSJBIBORU-UHFFFAOYSA-N 1 1 312.369 3.470 20 5 DGBDMO COc1ccc(C[N@H+]2CCc3cccc(C)c3C2)cc1[N+](=O)[O-] ZINC000429595586 533570808 /nfs/dbraw/zinc/57/08/08/533570808.db2.gz KKXPHQSJBIBORU-UHFFFAOYSA-N 1 1 312.369 3.470 20 5 DGBDMO C[N@@H+](Cc1cc(=O)oc2ccc3ccccc3c12)[C@@H]1CCC[C@H]1O ZINC000286562650 131241657 /nfs/dbraw/zinc/24/16/57/131241657.db2.gz PDRLTHLTBFKSAE-IAGOWNOFSA-N 1 1 323.392 3.291 20 5 DGBDMO COc1cc([N+](=O)[O-])ccc1[C@@H](C)[NH2+]Cc1ccnc(C)c1 ZINC000595041489 400085890 /nfs/dbraw/zinc/08/58/90/400085890.db2.gz MFRCOSFFJZNKNN-GFCCVEGCSA-N 1 1 301.346 3.158 20 5 DGBDMO COc1cc([N+](=O)[O-])ccc1[C@H](C)N[C@H]1CC[N@H+](C(C)(C)C)C1 ZINC000595056571 400093249 /nfs/dbraw/zinc/09/32/49/400093249.db2.gz MIBKTMMGCBCJRO-STQMWFEESA-N 1 1 321.421 3.127 20 5 DGBDMO COc1cc([N+](=O)[O-])ccc1[C@H](C)[NH2+][C@H]1CCN(C(C)(C)C)C1 ZINC000595056571 400093257 /nfs/dbraw/zinc/09/32/57/400093257.db2.gz MIBKTMMGCBCJRO-STQMWFEESA-N 1 1 321.421 3.127 20 5 DGBDMO Cc1ccc([N+](=O)[O-])cc1[C@@H](C)N[C@@H]1CC[N@H+](C(C)(C)C)C1 ZINC000595056533 400093426 /nfs/dbraw/zinc/09/34/26/400093426.db2.gz LFNGNFFVUVDADB-ZIAGYGMSSA-N 1 1 305.422 3.427 20 5 DGBDMO Cc1ccc([N+](=O)[O-])cc1[C@@H](C)[NH2+][C@@H]1CCN(C(C)(C)C)C1 ZINC000595056533 400093432 /nfs/dbraw/zinc/09/34/32/400093432.db2.gz LFNGNFFVUVDADB-ZIAGYGMSSA-N 1 1 305.422 3.427 20 5 DGBDMO CC[C@H](CSC)[N@@H+](C)Cc1nc2cc([N+](=O)[O-])ccc2o1 ZINC000091098788 400094446 /nfs/dbraw/zinc/09/44/46/400094446.db2.gz NHCVBTOVWZGGLE-SNVBAGLBSA-N 1 1 309.391 3.309 20 5 DGBDMO CC[C@H](C)CC[NH2+][C@H](c1nccn1C)c1ccc([N+](=O)[O-])cc1 ZINC000595071191 400098189 /nfs/dbraw/zinc/09/81/89/400098189.db2.gz ASBKSXKWUSYVBS-BBRMVZONSA-N 1 1 316.405 3.444 20 5 DGBDMO CC(C)COC1CC[NH+](Cc2ccc(F)cc2[N+](=O)[O-])CC1 ZINC000595293357 400118554 /nfs/dbraw/zinc/11/85/54/400118554.db2.gz LNCICNRTQVRHEG-UHFFFAOYSA-N 1 1 310.369 3.371 20 5 DGBDMO C[C@@H](C(=O)Nc1ccc([N+](=O)[O-])cc1)[N@@H+](C)CC1CCCCC1 ZINC000584797943 400105342 /nfs/dbraw/zinc/10/53/42/400105342.db2.gz VXRPZSWKRCVZHR-ZDUSSCGKSA-N 1 1 319.405 3.434 20 5 DGBDMO CCC[N@@H+]1CC[C@H](N[C@H]2CCCc3ccc([N+](=O)[O-])cc32)C1 ZINC000595097570 400105533 /nfs/dbraw/zinc/10/55/33/400105533.db2.gz XQISLHZLSKMYAQ-YOEHRIQHSA-N 1 1 303.406 3.046 20 5 DGBDMO CCC[N@H+]1CC[C@H](N[C@H]2CCCc3ccc([N+](=O)[O-])cc32)C1 ZINC000595097570 400105537 /nfs/dbraw/zinc/10/55/37/400105537.db2.gz XQISLHZLSKMYAQ-YOEHRIQHSA-N 1 1 303.406 3.046 20 5 DGBDMO O=[N+]([O-])c1cc(Br)ccc1Cn1cc[nH+]c1C1CC1 ZINC000600612062 400106611 /nfs/dbraw/zinc/10/66/11/400106611.db2.gz YWEOLLROWQAQGC-UHFFFAOYSA-N 1 1 322.162 3.480 20 5 DGBDMO O=[N+]([O-])c1cc(F)ccc1C[N@@H+]1C[C@H](O)C[C@@H]1c1ccccc1 ZINC000595536588 400179500 /nfs/dbraw/zinc/17/95/00/400179500.db2.gz ZZKJJFOLOGPEJY-HZPDHXFCSA-N 1 1 316.332 3.042 20 5 DGBDMO O=[N+]([O-])c1cc(F)ccc1C[N@H+]1C[C@H](O)C[C@@H]1c1ccccc1 ZINC000595536588 400179505 /nfs/dbraw/zinc/17/95/05/400179505.db2.gz ZZKJJFOLOGPEJY-HZPDHXFCSA-N 1 1 316.332 3.042 20 5 DGBDMO Cc1noc(C[N@@H+](C)[C@H](C)Cc2cccc(F)c2)c1[N+](=O)[O-] ZINC000595539421 400180671 /nfs/dbraw/zinc/18/06/71/400180671.db2.gz MKSMOUFUCVZUSK-SNVBAGLBSA-N 1 1 307.325 3.093 20 5 DGBDMO Cc1noc(C[N@H+](C)[C@H](C)Cc2cccc(F)c2)c1[N+](=O)[O-] ZINC000595539421 400180674 /nfs/dbraw/zinc/18/06/74/400180674.db2.gz MKSMOUFUCVZUSK-SNVBAGLBSA-N 1 1 307.325 3.093 20 5 DGBDMO O=[N+]([O-])c1ccsc1NC1CC[NH+](Cc2cccnc2)CC1 ZINC000588034360 400182180 /nfs/dbraw/zinc/18/21/80/400182180.db2.gz ZXOPWLUASIIDEN-UHFFFAOYSA-N 1 1 318.402 3.128 20 5 DGBDMO C[N@@H+](CCNc1ccc([N+](=O)[O-])c(OC(C)(C)C)c1)C1CC1 ZINC000091459890 400121007 /nfs/dbraw/zinc/12/10/07/400121007.db2.gz DGPHYZQRXAVTNA-UHFFFAOYSA-N 1 1 307.394 3.278 20 5 DGBDMO CC(C)[N@H+](C)CC1CCN(Cc2ccc(F)cc2[N+](=O)[O-])CC1 ZINC000595304901 400123587 /nfs/dbraw/zinc/12/35/87/400123587.db2.gz DLPRWUYDLYWSKV-UHFFFAOYSA-N 1 1 323.412 3.286 20 5 DGBDMO CC(C)[N@@H+](C)CC1CCN(Cc2ccc(F)cc2[N+](=O)[O-])CC1 ZINC000595304901 400123592 /nfs/dbraw/zinc/12/35/92/400123592.db2.gz DLPRWUYDLYWSKV-UHFFFAOYSA-N 1 1 323.412 3.286 20 5 DGBDMO Cc1noc(C[N@H+]2CCCC[C@H]2Cc2ccccc2)c1[N+](=O)[O-] ZINC000595308404 400123727 /nfs/dbraw/zinc/12/37/27/400123727.db2.gz IUVXYUAVQVRUJT-HNNXBMFYSA-N 1 1 315.373 3.488 20 5 DGBDMO Cc1noc(C[N@H+]2CC[C@H](c3ccccc3C)C2)c1[N+](=O)[O-] ZINC000595302933 400124025 /nfs/dbraw/zinc/12/40/25/400124025.db2.gz XLXMOMYUHZICGV-ZDUSSCGKSA-N 1 1 301.346 3.189 20 5 DGBDMO Cc1noc(C[N@@H+]2C[C@@H](c3ccccc3)C[C@@H]2C)c1[N+](=O)[O-] ZINC000595322150 400126772 /nfs/dbraw/zinc/12/67/72/400126772.db2.gz MGRLFWSXLHFJKT-FZMZJTMJSA-N 1 1 301.346 3.269 20 5 DGBDMO C[C@H](C[NH+]1CCCCC1)NC/C=C\c1ccccc1[N+](=O)[O-] ZINC000608836335 400127723 /nfs/dbraw/zinc/12/77/23/400127723.db2.gz KSIAGROEPYCJIO-SOIVGHGOSA-N 1 1 303.406 3.072 20 5 DGBDMO CN(CC[C@@H]1CCCC[N@H+]1C)Cc1ccc(F)cc1[N+](=O)[O-] ZINC000595327481 400128677 /nfs/dbraw/zinc/12/86/77/400128677.db2.gz OURVLIKCXFQJKM-HNNXBMFYSA-N 1 1 309.385 3.040 20 5 DGBDMO C[N@H+](Cc1ccc(F)cc1[N+](=O)[O-])[C@H](CCO)c1ccccc1 ZINC000595328266 400129109 /nfs/dbraw/zinc/12/91/09/400129109.db2.gz YCQQFVBTFCCYTE-MRXNPFEDSA-N 1 1 318.348 3.289 20 5 DGBDMO C[N@@H+](Cc1ccc(F)cc1[N+](=O)[O-])[C@H](CCO)c1ccccc1 ZINC000595328266 400129116 /nfs/dbraw/zinc/12/91/16/400129116.db2.gz YCQQFVBTFCCYTE-MRXNPFEDSA-N 1 1 318.348 3.289 20 5 DGBDMO Cc1cc(C)c([N+](=O)[O-])cc1NC(=O)C[N@H+](C)CC(C)(C)C ZINC000608886429 400130603 /nfs/dbraw/zinc/13/06/03/400130603.db2.gz SMAALUBIVSSZBW-UHFFFAOYSA-N 1 1 307.394 3.128 20 5 DGBDMO CCCC[N@@H+](CCOC)Cc1ccc(Cl)cc1[N+](=O)[O-] ZINC000609705111 400187188 /nfs/dbraw/zinc/18/71/88/400187188.db2.gz QHHCLKKEDASTBK-UHFFFAOYSA-N 1 1 300.786 3.497 20 5 DGBDMO O=[N+]([O-])c1cc(F)ccc1C[N@@H+]1CCC[C@H](OCC2CC2)C1 ZINC000595444735 400152263 /nfs/dbraw/zinc/15/22/63/400152263.db2.gz CWTKLONKKNKQET-HNNXBMFYSA-N 1 1 308.353 3.125 20 5 DGBDMO O=[N+]([O-])c1cc(F)ccc1C[N@H+]1CCC[C@H](OCC2CC2)C1 ZINC000595444735 400152266 /nfs/dbraw/zinc/15/22/66/400152266.db2.gz CWTKLONKKNKQET-HNNXBMFYSA-N 1 1 308.353 3.125 20 5 DGBDMO O=[N+]([O-])c1cccc(OCC[N@H+]2CCCc3sccc3C2)c1 ZINC000609322595 400159156 /nfs/dbraw/zinc/15/91/56/400159156.db2.gz FPIQYYXIOFGYIK-UHFFFAOYSA-N 1 1 318.398 3.484 20 5 DGBDMO Cc1noc(C[N@H+]2CC[C@H](c3ccc(C)cc3C)C2)c1[N+](=O)[O-] ZINC000595468111 400160316 /nfs/dbraw/zinc/16/03/16/400160316.db2.gz JFYDFRLBLAROHD-AWEZNQCLSA-N 1 1 315.373 3.498 20 5 DGBDMO O=[N+]([O-])c1ccc(N[C@@H]2CC[N@@H+](CC3CC3)C2)c2ccncc21 ZINC000609384350 400164064 /nfs/dbraw/zinc/16/40/64/400164064.db2.gz MHVOXMILDLCXAC-CYBMUJFWSA-N 1 1 312.373 3.039 20 5 DGBDMO C[C@@H]1CN(Cc2ccc(F)cc2[N+](=O)[O-])CC[N@H+](C2CCC2)C1 ZINC000595502213 400170616 /nfs/dbraw/zinc/17/06/16/400170616.db2.gz QXFBHAIHBPAYAZ-CYBMUJFWSA-N 1 1 321.396 3.040 20 5 DGBDMO CO[C@@H]1CCN(c2cc[nH+]c3ccc([N+](=O)[O-])cc32)C[C@@H]1C ZINC000601171859 400255859 /nfs/dbraw/zinc/25/58/59/400255859.db2.gz RRWJAZZFZLBGBY-MEDUHNTESA-N 1 1 301.346 3.004 20 5 DGBDMO CCOC1CCN(c2cc[nH+]c3ccc([N+](=O)[O-])cc32)CC1 ZINC000601106616 400233235 /nfs/dbraw/zinc/23/32/35/400233235.db2.gz SHDDTBLBRUOSTD-UHFFFAOYSA-N 1 1 301.346 3.148 20 5 DGBDMO C[C@@H]1CCC[N@@H+](Cc2ccc([N+](=O)[O-])cc2Cl)[C@H]1CCO ZINC000595706958 400237535 /nfs/dbraw/zinc/23/75/35/400237535.db2.gz ZPSBYBOXPISHGD-ABAIWWIYSA-N 1 1 312.797 3.231 20 5 DGBDMO Cc1noc(C)c1[C@@H](C)Nc1cc[nH+]c2ccc([N+](=O)[O-])cc12 ZINC000601117047 400238964 /nfs/dbraw/zinc/23/89/64/400238964.db2.gz WLDFYOJNIRPHLR-SECBINFHSA-N 1 1 312.329 3.343 20 5 DGBDMO O=[N+]([O-])c1ccc2[nH+]ccc(N3CC[C@@H]([C@H]4CCOC4)C3)c2c1 ZINC000601132537 400244092 /nfs/dbraw/zinc/24/40/92/400244092.db2.gz JBYVYMZKHHHAKU-OLZOCXBDSA-N 1 1 313.357 3.006 20 5 DGBDMO O=[N+]([O-])c1cc(C[N@H+]2CCC[C@H](CCF)C2)c2c(c1)COCO2 ZINC000595754793 400251697 /nfs/dbraw/zinc/25/16/97/400251697.db2.gz CBZGIDIVEXOQHP-GFCCVEGCSA-N 1 1 324.352 3.033 20 5 DGBDMO CC[C@@H](C)[N@@H+](CC)CCCn1c(=O)oc2ccc([N+](=O)[O-])cc21 ZINC000595602575 400200312 /nfs/dbraw/zinc/20/03/12/400200312.db2.gz XKPVHSOHYQFGOE-GFCCVEGCSA-N 1 1 321.377 3.013 20 5 DGBDMO Cc1cc([N+](=O)[O-])ccc1NC(=O)C[N@H+]1CCC[C@H]1C1CCC1 ZINC000610390806 400254256 /nfs/dbraw/zinc/25/42/56/400254256.db2.gz BNUQEHCXALUZKW-INIZCTEOSA-N 1 1 317.389 3.106 20 5 DGBDMO C[N@@H+](CCC(=O)Nc1ccccc1[N+](=O)[O-])Cc1ccccc1 ZINC000026157251 400254248 /nfs/dbraw/zinc/25/42/48/400254248.db2.gz DFHZGWPPDWDHGJ-UHFFFAOYSA-N 1 1 313.357 3.055 20 5 DGBDMO COc1cc(C[N@@H+]2CC3(CCCC3)OC[C@@H]2C)ccc1[N+](=O)[O-] ZINC000595814201 400266366 /nfs/dbraw/zinc/26/63/66/400266366.db2.gz DTCAVKZOEAVLPW-ZDUSSCGKSA-N 1 1 320.389 3.137 20 5 DGBDMO COc1cc(C[N@H+]2CC3(CCCC3)OC[C@@H]2C)ccc1[N+](=O)[O-] ZINC000595814201 400266373 /nfs/dbraw/zinc/26/63/73/400266373.db2.gz DTCAVKZOEAVLPW-ZDUSSCGKSA-N 1 1 320.389 3.137 20 5 DGBDMO C[N@H+]1CC[C@H]2[C@H](CCCN2Cc2ccc([N+](=O)[O-])cc2Cl)C1 ZINC000589206614 400276609 /nfs/dbraw/zinc/27/66/09/400276609.db2.gz WYFLZIURQOAQCD-CJNGLKHVSA-N 1 1 323.824 3.164 20 5 DGBDMO CC(C)Oc1ccc([N+](=O)[O-])cc1C[N@H+](C)CC1=CCSC1 ZINC000595889680 400288066 /nfs/dbraw/zinc/28/80/66/400288066.db2.gz VJYDXHVRKBWASB-UHFFFAOYSA-N 1 1 322.430 3.487 20 5 DGBDMO CC(C)Oc1ccc([N+](=O)[O-])cc1C[N@@H+](C)CC1=CCSC1 ZINC000595889680 400288071 /nfs/dbraw/zinc/28/80/71/400288071.db2.gz VJYDXHVRKBWASB-UHFFFAOYSA-N 1 1 322.430 3.487 20 5 DGBDMO Cc1ccc(C[N@@H+]2CC(C)(C)[C@@H]2[C@@H]2CCCO2)cc1[N+](=O)[O-] ZINC000589520376 400304324 /nfs/dbraw/zinc/30/43/24/400304324.db2.gz CWSZTMGEUAWMBC-HOTGVXAUSA-N 1 1 304.390 3.293 20 5 DGBDMO Cc1ccc(C[N@H+]2CC(C)(C)[C@@H]2[C@@H]2CCCO2)cc1[N+](=O)[O-] ZINC000589520376 400304327 /nfs/dbraw/zinc/30/43/27/400304327.db2.gz CWSZTMGEUAWMBC-HOTGVXAUSA-N 1 1 304.390 3.293 20 5 DGBDMO CC(C)(C)Oc1cc(N[C@@H]2CC[N@H+](C3CC3)C2)ccc1[N+](=O)[O-] ZINC000596087162 400313071 /nfs/dbraw/zinc/31/30/71/400313071.db2.gz FXYLKGYFUKHEKG-CYBMUJFWSA-N 1 1 319.405 3.421 20 5 DGBDMO C[C@@H](NC[C@@H]1CCC[N@@H+](CC2CC2)C1)c1cccc([N+](=O)[O-])c1 ZINC000596094297 400315488 /nfs/dbraw/zinc/31/54/88/400315488.db2.gz JRYFJXFPWMMJBU-ZBFHGGJFSA-N 1 1 317.433 3.367 20 5 DGBDMO CC(C)Oc1ccc([N+](=O)[O-])cc1C[N@@H+]1CC[C@@H](C)O[C@@H](C)C1 ZINC000595781400 400258010 /nfs/dbraw/zinc/25/80/10/400258010.db2.gz RZBDVGGOLJJYPD-KGLIPLIRSA-N 1 1 322.405 3.381 20 5 DGBDMO CC(C)Oc1ccc([N+](=O)[O-])cc1C[N@H+]1CC[C@@H](C)O[C@@H](C)C1 ZINC000595781400 400258011 /nfs/dbraw/zinc/25/80/11/400258011.db2.gz RZBDVGGOLJJYPD-KGLIPLIRSA-N 1 1 322.405 3.381 20 5 DGBDMO O=[N+]([O-])c1ccc(C[N@H+]2CCC[C@@H](C[C@@H]3CCOC3)C2)c(F)c1 ZINC000611350898 400383902 /nfs/dbraw/zinc/38/39/02/400383902.db2.gz MUYSULOOLFYIDW-KBPBESRZSA-N 1 1 322.380 3.373 20 5 DGBDMO O=[N+]([O-])c1ccc(N2CC[C@@H]3[C@H](CCC[N@H+]3C3CC3)C2)s1 ZINC000610946682 400327144 /nfs/dbraw/zinc/32/71/44/400327144.db2.gz BOGBHGAMMKNOTB-DGCLKSJQSA-N 1 1 307.419 3.109 20 5 DGBDMO O=[N+]([O-])c1sccc1N1CC[C@@H]2[C@H](CCC[N@H+]2C2CC2)C1 ZINC000610946712 400327181 /nfs/dbraw/zinc/32/71/81/400327181.db2.gz SRRZORVQWDNRSP-DGCLKSJQSA-N 1 1 307.419 3.109 20 5 DGBDMO O=[N+]([O-])c1ccc(N2CC[C@H]3[C@@H](CCC[N@H+]3C3CC3)C2)s1 ZINC000610946681 400327240 /nfs/dbraw/zinc/32/72/40/400327240.db2.gz BOGBHGAMMKNOTB-AAEUAGOBSA-N 1 1 307.419 3.109 20 5 DGBDMO Cc1cc(N2CC[C@@H]3[C@@H](CCC[N@H+]3C3CC3)C2)c([N+](=O)[O-])s1 ZINC000596170868 400339548 /nfs/dbraw/zinc/33/95/48/400339548.db2.gz YKLFVZIOMBPUHG-GXTWGEPZSA-N 1 1 321.446 3.418 20 5 DGBDMO CSC[C@@H]1CCC[N@@H+](CCCOc2ccc([N+](=O)[O-])cc2)C1 ZINC000590026375 400347900 /nfs/dbraw/zinc/34/79/00/400347900.db2.gz IMMWBEJSUHURDK-CQSZACIVSA-N 1 1 324.446 3.439 20 5 DGBDMO O=[N+]([O-])c1ccc(C[NH+]2CC(Cc3ccccc3)C2)c(F)c1 ZINC000611177939 400355144 /nfs/dbraw/zinc/35/51/44/400355144.db2.gz CMQAHAVHKDXHRR-UHFFFAOYSA-N 1 1 300.333 3.408 20 5 DGBDMO C[N@H+]1CCN(c2c(Cl)cncc2[N+](=O)[O-])CC12CCCCC2 ZINC000596249885 400360562 /nfs/dbraw/zinc/36/05/62/400360562.db2.gz BVBAAWWULKCMAS-UHFFFAOYSA-N 1 1 324.812 3.098 20 5 DGBDMO COc1ccc(OC[C@@H]2CCCC[N@H+]2C(C)C)cc1[N+](=O)[O-] ZINC000596276169 400368998 /nfs/dbraw/zinc/36/89/98/400368998.db2.gz GNMSEECNYKIAIE-ZDUSSCGKSA-N 1 1 308.378 3.245 20 5 DGBDMO O=[N+]([O-])c1ccc(-c2ccc(C[N@H+](CCCO)C3CC3)o2)cc1 ZINC000611271603 400370866 /nfs/dbraw/zinc/37/08/66/400370866.db2.gz MFQAOSZWGQEDBJ-UHFFFAOYSA-N 1 1 316.357 3.202 20 5 DGBDMO O=[N+]([O-])c1ccccc1-c1ccc(C[N@H+](CCCO)C2CC2)o1 ZINC000611271604 400370935 /nfs/dbraw/zinc/37/09/35/400370935.db2.gz MSVIXJOCPQYWOP-UHFFFAOYSA-N 1 1 316.357 3.202 20 5 DGBDMO CCOc1cccc(NC[C@H]2CC[N@H+]2C(C)(C)C)c1[N+](=O)[O-] ZINC000596309440 400376780 /nfs/dbraw/zinc/37/67/80/400376780.db2.gz RWQJDSLTEMDBNN-GFCCVEGCSA-N 1 1 307.394 3.278 20 5 DGBDMO CCC(=O)c1ccc(NC[C@H]2CC[N@H+]2C(C)(C)C)c([N+](=O)[O-])c1 ZINC000596309883 400377101 /nfs/dbraw/zinc/37/71/01/400377101.db2.gz ZFINAWQSBOOBQP-CYBMUJFWSA-N 1 1 319.405 3.472 20 5 DGBDMO CCC[N@H+]1CC[C@H](CNc2cc(OC)c(C)cc2[N+](=O)[O-])C1 ZINC000590573589 400397752 /nfs/dbraw/zinc/39/77/52/400397752.db2.gz DDNOKMJFCBFAJX-CYBMUJFWSA-N 1 1 307.394 3.056 20 5 DGBDMO CN(C)CC[C@@H]([NH2+]CCc1ccc([N+](=O)[O-])cc1)C(C)(C)C ZINC000611521956 400415593 /nfs/dbraw/zinc/41/55/93/400415593.db2.gz CYDDPPVAPLRMLT-MRXNPFEDSA-N 1 1 307.438 3.093 20 5 DGBDMO Cc1[nH]ncc1[C@H](C)[NH2+]CCc1ccc(Cl)cc1[N+](=O)[O-] ZINC000611522218 400415641 /nfs/dbraw/zinc/41/56/41/400415641.db2.gz ZRBOWIVNDSVKKM-VIFPVBQESA-N 1 1 308.769 3.173 20 5 DGBDMO O=[N+]([O-])c1cc(Cl)ccc1C[N@@H+](C[C@H]1CCOC1)C1CC1 ZINC000116273069 400408552 /nfs/dbraw/zinc/40/85/52/400408552.db2.gz NPUWDUJDDJICMP-LLVKDONJSA-N 1 1 310.781 3.249 20 5 DGBDMO O=[N+]([O-])c1cccc2c1ccnc2N[C@@H]1CC[N@@H+](CC2CC2)C1 ZINC000590689651 400416243 /nfs/dbraw/zinc/41/62/43/400416243.db2.gz SWGNNFAMIRLAHV-CYBMUJFWSA-N 1 1 312.373 3.039 20 5 DGBDMO O=[N+]([O-])c1sccc1NC[C@@H]1CC[N@@H+]1Cc1ccccc1 ZINC000596557236 400444058 /nfs/dbraw/zinc/44/40/58/400444058.db2.gz FIJPWTJIMGXHHE-ZDUSSCGKSA-N 1 1 303.387 3.343 20 5 DGBDMO O=[N+]([O-])c1sccc1NC[C@@H]1CC[N@H+]1Cc1ccccc1 ZINC000596557236 400444062 /nfs/dbraw/zinc/44/40/62/400444062.db2.gz FIJPWTJIMGXHHE-ZDUSSCGKSA-N 1 1 303.387 3.343 20 5 DGBDMO COc1cccc([N+](=O)[O-])c1NC[C@@H]1CCC[N@@H+](CC2CC2)C1 ZINC000596569706 400446399 /nfs/dbraw/zinc/44/63/99/400446399.db2.gz CRMKZFCRKJOLDR-AWEZNQCLSA-N 1 1 319.405 3.137 20 5 DGBDMO C[C@H](c1ccccc1[N+](=O)[O-])[N@@H+]1Cc2c[nH]nc2CC(C)(C)C1 ZINC000596599650 400454072 /nfs/dbraw/zinc/45/40/72/400454072.db2.gz VSOJYLVUTJFYFE-GFCCVEGCSA-N 1 1 314.389 3.463 20 5 DGBDMO C[C@H](c1ccccc1[N+](=O)[O-])[N@H+]1Cc2c[nH]nc2CC(C)(C)C1 ZINC000596599650 400454075 /nfs/dbraw/zinc/45/40/75/400454075.db2.gz VSOJYLVUTJFYFE-GFCCVEGCSA-N 1 1 314.389 3.463 20 5 DGBDMO CCC(C)(C)[N@@H+](C)CCC(=O)Nc1cccc([N+](=O)[O-])c1C ZINC000074320287 400504227 /nfs/dbraw/zinc/50/42/27/400504227.db2.gz HZZJROCTWKUZMF-UHFFFAOYSA-N 1 1 307.394 3.352 20 5 DGBDMO Nc1c(F)cccc1C[N@H+](Cc1ccc([N+](=O)[O-])cc1)C1CC1 ZINC000602441189 400463867 /nfs/dbraw/zinc/46/38/67/400463867.db2.gz VPUDKXKNBJOBNK-UHFFFAOYSA-N 1 1 315.348 3.481 20 5 DGBDMO Nc1c(F)cccc1C[N@@H+](Cc1ccc([N+](=O)[O-])cc1)C1CC1 ZINC000602441189 400463871 /nfs/dbraw/zinc/46/38/71/400463871.db2.gz VPUDKXKNBJOBNK-UHFFFAOYSA-N 1 1 315.348 3.481 20 5 DGBDMO CCOc1ccc([C@H](C)NCC[C@@H]([NH3+])C(C)C)cc1[N+](=O)[O-] ZINC000596654897 400473021 /nfs/dbraw/zinc/47/30/21/400473021.db2.gz RBONJCPYSJOFEG-GXTWGEPZSA-N 1 1 309.410 3.018 20 5 DGBDMO COc1ncc(C[NH2+][C@@H](C)c2ccc(C)c([N+](=O)[O-])c2)s1 ZINC000602560965 400496235 /nfs/dbraw/zinc/49/62/35/400496235.db2.gz BDNMZKWMTGETTG-JTQLQIEISA-N 1 1 307.375 3.219 20 5 DGBDMO Cc1ncc([N+](=O)[O-])n1CC[N@@H+](CC1CC1)C1CCCCC1 ZINC000602773390 400570076 /nfs/dbraw/zinc/57/00/76/400570076.db2.gz PMZDNTVYJYLLQM-UHFFFAOYSA-N 1 1 306.410 3.144 20 5 DGBDMO Cc1ncc([N+](=O)[O-])n1CC[N@H+]([C@H](C)c1ccccc1)C1CC1 ZINC000602791171 400574839 /nfs/dbraw/zinc/57/48/39/400574839.db2.gz MAJAGNGOXFVJLC-CYBMUJFWSA-N 1 1 314.389 3.325 20 5 DGBDMO Cc1ncc([C@H](C)[N@@H+](C)CCc2cccc([N+](=O)[O-])c2)c(C)n1 ZINC000602657271 400527616 /nfs/dbraw/zinc/52/76/16/400527616.db2.gz DAACIRTVXIHFSY-ZDUSSCGKSA-N 1 1 314.389 3.237 20 5 DGBDMO Cn1ccnc1[C@@H]([NH2+]C(C)(C)c1ccccc1[N+](=O)[O-])C1CC1 ZINC000602673840 400534080 /nfs/dbraw/zinc/53/40/80/400534080.db2.gz STRGEHXWSFZFAC-HNNXBMFYSA-N 1 1 314.389 3.304 20 5 DGBDMO CC(C)(C)[C@H]1CC[N@@H+](Cc2cc3c(cc2[N+](=O)[O-])OCCO3)C1 ZINC000612404536 400540613 /nfs/dbraw/zinc/54/06/13/400540613.db2.gz QADDXYNVIJIJJW-ZDUSSCGKSA-N 1 1 320.389 3.234 20 5 DGBDMO CC[C@H](CSc1ccccc1[N+](=O)[O-])[NH2+]C[C@@H]1CCCCN1 ZINC000591578080 400541463 /nfs/dbraw/zinc/54/14/63/400541463.db2.gz WFMMNBHJMVUHAO-KGLIPLIRSA-N 1 1 323.462 3.197 20 5 DGBDMO C[C@]1(C2CC2)C[N@H+](C/C=C\c2ccccc2[N+](=O)[O-])CCO1 ZINC000597181046 400579186 /nfs/dbraw/zinc/57/91/86/400579186.db2.gz ZOSFBWSTKJNIRK-XQDHMALISA-N 1 1 302.374 3.109 20 5 DGBDMO C[C@]1(C2CC2)C[N@@H+](C/C=C\c2ccccc2[N+](=O)[O-])CCO1 ZINC000597181046 400579189 /nfs/dbraw/zinc/57/91/89/400579189.db2.gz ZOSFBWSTKJNIRK-XQDHMALISA-N 1 1 302.374 3.109 20 5 DGBDMO CSC1CC[NH+](Cc2nc3cc([N+](=O)[O-])ccc3o2)CC1 ZINC000602724853 400552047 /nfs/dbraw/zinc/55/20/47/400552047.db2.gz GBWGSENQHJWMKK-UHFFFAOYSA-N 1 1 307.375 3.063 20 5 DGBDMO COCc1csc(C[N@@H+](C)CCc2ccccc2[N+](=O)[O-])c1 ZINC000597128894 400565053 /nfs/dbraw/zinc/56/50/53/400565053.db2.gz NHAIFVASERIUJH-UHFFFAOYSA-N 1 1 320.414 3.477 20 5 DGBDMO Cc1ncc([N+](=O)[O-])n1CC[N@@H+]1CC[C@H](C)[C@@H]2CCCC[C@H]21 ZINC000602764842 400567252 /nfs/dbraw/zinc/56/72/52/400567252.db2.gz ZSMHBRMAFVBXOJ-AEGPPILISA-N 1 1 306.410 3.000 20 5 DGBDMO Cc1ncc([N+](=O)[O-])n1CC[N@@H+](C)CCCCc1ccccc1 ZINC000602768177 400569368 /nfs/dbraw/zinc/56/93/68/400569368.db2.gz WYHMBLVHZKQEBA-UHFFFAOYSA-N 1 1 316.405 3.054 20 5 DGBDMO Cc1c(C[N@@H+]2CC3(C[C@H]2C)CCOCC3)cccc1[N+](=O)[O-] ZINC000592182232 400619562 /nfs/dbraw/zinc/61/95/62/400619562.db2.gz MXFPUIKUADYULO-CYBMUJFWSA-N 1 1 304.390 3.294 20 5 DGBDMO C[C@@H]1C[N@@H+](CCc2ccc([N+](=O)[O-])cc2)CC2(CCCC2)O1 ZINC000592193362 400622031 /nfs/dbraw/zinc/62/20/31/400622031.db2.gz MDADQDKLVBPGFG-CQSZACIVSA-N 1 1 304.390 3.171 20 5 DGBDMO C[C@H](c1ccccc1[N+](=O)[O-])[NH+]1CCN(c2ccccc2)CC1 ZINC000144239285 400640531 /nfs/dbraw/zinc/64/05/31/400640531.db2.gz ORAGSWJDJDFIEI-OAHLLOKOSA-N 1 1 311.385 3.478 20 5 DGBDMO CC(C)c1ccc(C[N@H+]2CC[C@@H]3COC[C@H]3C2)cc1[N+](=O)[O-] ZINC000597231214 400593638 /nfs/dbraw/zinc/59/36/38/400593638.db2.gz OIGSBTRFBSEDIW-HUUCEWRRSA-N 1 1 304.390 3.187 20 5 DGBDMO CC(C)c1ccc(C[N@@H+]2CCCc3n[nH]cc3C2)cc1[N+](=O)[O-] ZINC000597257536 400601326 /nfs/dbraw/zinc/60/13/26/400601326.db2.gz GHMUNRCIMJUZJE-UHFFFAOYSA-N 1 1 314.389 3.390 20 5 DGBDMO CC(C)c1ccc(C[N@H+]2CCCc3n[nH]cc3C2)cc1[N+](=O)[O-] ZINC000597257536 400601332 /nfs/dbraw/zinc/60/13/32/400601332.db2.gz GHMUNRCIMJUZJE-UHFFFAOYSA-N 1 1 314.389 3.390 20 5 DGBDMO O=[N+]([O-])c1ccc(N2CCC[C@@H](c3[nH]cc[nH+]3)C2)c2ccncc21 ZINC000075721938 400608487 /nfs/dbraw/zinc/60/84/87/400608487.db2.gz RJLBVCPXGZXHHM-GFCCVEGCSA-N 1 1 323.356 3.250 20 5 DGBDMO C[N@@H+](CCCC(=O)OC(C)(C)C)Cc1ccc([N+](=O)[O-])cc1 ZINC000076415927 400653310 /nfs/dbraw/zinc/65/33/10/400653310.db2.gz LWXKTVVDFIJNFR-UHFFFAOYSA-N 1 1 308.378 3.149 20 5 DGBDMO O=[N+]([O-])c1cccc(F)c1C[NH+]1CCC(C2CCOCC2)CC1 ZINC000153582136 400687932 /nfs/dbraw/zinc/68/79/32/400687932.db2.gz CRLVYCCMBDJIDQ-UHFFFAOYSA-N 1 1 322.380 3.373 20 5 DGBDMO CC[C@H](N[C@@H]1CC[N@H+](CC2CC2)C1)c1cccc([N+](=O)[O-])c1 ZINC000157756252 400720530 /nfs/dbraw/zinc/72/05/30/400720530.db2.gz WRHQHAXEFWEVBP-WBVHZDCISA-N 1 1 303.406 3.120 20 5 DGBDMO CC[C@H](N[C@@H]1CC[N@@H+](CC2CC2)C1)c1cccc([N+](=O)[O-])c1 ZINC000157756252 400720535 /nfs/dbraw/zinc/72/05/35/400720535.db2.gz WRHQHAXEFWEVBP-WBVHZDCISA-N 1 1 303.406 3.120 20 5 DGBDMO O=[N+]([O-])c1ccc(C[N@@H+]2CCO[C@]3(CCc4ccccc43)C2)cc1 ZINC000158754460 400726719 /nfs/dbraw/zinc/72/67/19/400726719.db2.gz ZWCFDKAWPPYPAJ-LJQANCHMSA-N 1 1 324.380 3.269 20 5 DGBDMO O=[N+]([O-])c1ccc(C[N@H+]2CCO[C@]3(CCc4ccccc43)C2)cc1 ZINC000158754460 400726724 /nfs/dbraw/zinc/72/67/24/400726724.db2.gz ZWCFDKAWPPYPAJ-LJQANCHMSA-N 1 1 324.380 3.269 20 5 DGBDMO O=[N+]([O-])c1cccc(F)c1C[NH+]1CCC2(CC2(F)F)CC1 ZINC000593078256 400754943 /nfs/dbraw/zinc/75/49/43/400754943.db2.gz YLIZJRBIFKXSIY-UHFFFAOYSA-N 1 1 300.280 3.355 20 5 DGBDMO Cc1cc([C@H]2CCC[N@H+]2CCc2ccc([N+](=O)[O-])cc2)on1 ZINC000052822091 400748520 /nfs/dbraw/zinc/74/85/20/400748520.db2.gz NHVKDISNGWWTRD-OAHLLOKOSA-N 1 1 301.346 3.271 20 5 DGBDMO C[C@@H]1CCCN(C/C=C/c2ccccc2[N+](=O)[O-])[C@H]1CC[NH3+] ZINC000593316294 400817262 /nfs/dbraw/zinc/81/72/62/400817262.db2.gz OROGWYVSHCXZBH-ZTHSPGPESA-N 1 1 303.406 3.057 20 5 DGBDMO CCOc1cncc(C[NH2+][C@@H](C)c2ccccc2[N+](=O)[O-])c1 ZINC000598639208 400847911 /nfs/dbraw/zinc/84/79/11/400847911.db2.gz RNUZNBAOFIXLNQ-LBPRGKRZSA-N 1 1 301.346 3.239 20 5 DGBDMO CC1CC(C[NH2+][C@H](c2nccn2C)c2cccc([N+](=O)[O-])c2)C1 ZINC000598676506 400855825 /nfs/dbraw/zinc/85/58/25/400855825.db2.gz JGPKZOIUSKVSLR-ZUEPYMLJSA-N 1 1 314.389 3.053 20 5 DGBDMO C[C@@H]1C[C@H](Nc2ccc3cnccc3c2[N+](=O)[O-])C[N@H+]1C1CC1 ZINC000599062853 400945228 /nfs/dbraw/zinc/94/52/28/400945228.db2.gz VPOBUDASBSSWSZ-YPMHNXCESA-N 1 1 312.373 3.180 20 5 DGBDMO C[N@H+]1CCCC[C@H](C[NH2+][C@H]2CCCc3ccc([N+](=O)[O-])cc32)C1 ZINC000599069584 400948147 /nfs/dbraw/zinc/94/81/47/400948147.db2.gz HVZXIUGSXDYSBC-KDOFPFPSSA-N 1 1 317.433 3.294 20 5 DGBDMO C[N@@H+]1CCCC[C@H](CN[C@H]2CCCc3ccc([N+](=O)[O-])cc32)C1 ZINC000599069584 400948153 /nfs/dbraw/zinc/94/81/53/400948153.db2.gz HVZXIUGSXDYSBC-KDOFPFPSSA-N 1 1 317.433 3.294 20 5 DGBDMO C[N@H+]1CCCC[C@H](CN[C@H]2CCCc3ccc([N+](=O)[O-])cc32)C1 ZINC000599069584 400948158 /nfs/dbraw/zinc/94/81/58/400948158.db2.gz HVZXIUGSXDYSBC-KDOFPFPSSA-N 1 1 317.433 3.294 20 5 DGBDMO CC[C@@H]([NH2+]C[C@H]1CCCC[N@@H+](C)C1)c1cccc([N+](=O)[O-])c1 ZINC000599072064 400950769 /nfs/dbraw/zinc/95/07/69/400950769.db2.gz XHNSTWHFDYCBIG-RHSMWYFYSA-N 1 1 305.422 3.367 20 5 DGBDMO CC[C@@H](NC[C@H]1CCCC[N@H+](C)C1)c1cccc([N+](=O)[O-])c1 ZINC000599072064 400950776 /nfs/dbraw/zinc/95/07/76/400950776.db2.gz XHNSTWHFDYCBIG-RHSMWYFYSA-N 1 1 305.422 3.367 20 5 DGBDMO CC[C@@H](NC[C@H]1CCCC[N@@H+](C)C1)c1cccc([N+](=O)[O-])c1 ZINC000599072064 400950781 /nfs/dbraw/zinc/95/07/81/400950781.db2.gz XHNSTWHFDYCBIG-RHSMWYFYSA-N 1 1 305.422 3.367 20 5 DGBDMO C[C@@H](CCO)[N@@H+](C)Cc1ccc(-c2cccc([N+](=O)[O-])c2)o1 ZINC000593695159 400893582 /nfs/dbraw/zinc/89/35/82/400893582.db2.gz XNTFPXMCGDBGIU-LBPRGKRZSA-N 1 1 304.346 3.058 20 5 DGBDMO C[C@H](C[N@H+]1CC[C@H](Nc2ccc([N+](=O)[O-])cn2)C1)C(C)(C)C ZINC000619844461 400909388 /nfs/dbraw/zinc/90/93/88/400909388.db2.gz ASQMEFDOHLSRHI-OLZOCXBDSA-N 1 1 306.410 3.158 20 5 DGBDMO CN1CC[C@@H]([NH2+]CCCCc2ccc([N+](=O)[O-])cc2)CC1(C)C ZINC000598965846 400915439 /nfs/dbraw/zinc/91/54/39/400915439.db2.gz NVDFVVQEPBAWNO-MRXNPFEDSA-N 1 1 319.449 3.380 20 5 DGBDMO CC[N@@H+](CCNc1ccc2cnccc2c1[N+](=O)[O-])C1CC1 ZINC000599037616 400934148 /nfs/dbraw/zinc/93/41/48/400934148.db2.gz JKQXSGWHQRQFMW-UHFFFAOYSA-N 1 1 300.362 3.039 20 5 DGBDMO O=[N+]([O-])c1c2ccncc2ccc1N1CCC(c2[nH]cc[nH+]2)CC1 ZINC000599036747 400934363 /nfs/dbraw/zinc/93/43/63/400934363.db2.gz UJVOLJHWVLXBJT-UHFFFAOYSA-N 1 1 323.356 3.250 20 5 DGBDMO O=[N+]([O-])c1cnc(NC[C@@H]2CC[N@H+]2C2CCCC2)c(Cl)c1 ZINC000599165839 400982700 /nfs/dbraw/zinc/98/27/00/400982700.db2.gz UIDIOMAXXSNMDN-NSHDSACASA-N 1 1 310.785 3.072 20 5 DGBDMO COC(=O)CCCC[N@@H+](Cc1ccc([N+](=O)[O-])cc1)C(C)C ZINC000599270426 401007482 /nfs/dbraw/zinc/00/74/82/401007482.db2.gz JJXAQTGVIKDGME-UHFFFAOYSA-N 1 1 308.378 3.149 20 5 DGBDMO C[C@@H](c1cccc([N+](=O)[O-])c1)[N@H+]1CCC[C@H](c2ncc[nH]2)C1 ZINC000080960135 401007711 /nfs/dbraw/zinc/00/77/11/401007711.db2.gz WGEUPPIMYDPWJW-JSGCOSHPSA-N 1 1 300.362 3.259 20 5 DGBDMO C[N@H+]1CCCC[C@@H](CNc2nccc3ccc([N+](=O)[O-])cc32)C1 ZINC000599141821 400974695 /nfs/dbraw/zinc/97/46/95/400974695.db2.gz RSMSRWKHJOCIQB-ZDUSSCGKSA-N 1 1 314.389 3.287 20 5 DGBDMO C[C@H]1C[NH+](Cc2ccc([N+](=O)[O-])cc2F)C[C@H](C)C1(F)F ZINC000599513707 401064880 /nfs/dbraw/zinc/06/48/80/401064880.db2.gz SSDWBFAFZWFGRS-UWVGGRQHSA-N 1 1 302.296 3.457 20 5 DGBDMO NC1(C[NH2+][C@H]2CCC[C@@H]2Cc2ccccc2[N+](=O)[O-])CCCC1 ZINC000594738035 401166157 /nfs/dbraw/zinc/16/61/57/401166157.db2.gz ATGZTKQSGUJSJX-ZBFHGGJFSA-N 1 1 317.433 3.167 20 5 DGBDMO C[N@@H+](CCc1cccc([N+](=O)[O-])c1)Cc1cnc(C2CC2)o1 ZINC000600155937 401199273 /nfs/dbraw/zinc/19/92/73/401199273.db2.gz JCZQXGHKCKTCDQ-UHFFFAOYSA-N 1 1 301.346 3.135 20 5 DGBDMO CCCC[N@@H+](CCC(=O)Nc1cccc([N+](=O)[O-])c1C)C1CC1 ZINC000063615716 401203844 /nfs/dbraw/zinc/20/38/44/401203844.db2.gz YWOSXCHOWNSOQS-UHFFFAOYSA-N 1 1 319.405 3.496 20 5 DGBDMO COc1cc([N+](=O)[O-])ccc1[C@@H](C)[NH2+][C@@H](C)c1cccnc1 ZINC000595003633 401225587 /nfs/dbraw/zinc/22/55/87/401225587.db2.gz IZLDIRKMBYRMRN-NWDGAFQWSA-N 1 1 301.346 3.410 20 5 DGBDMO COc1cccc(C[NH2+]Cc2ccc([N+](=O)[O-])cc2F)c1C ZINC000594998048 401224238 /nfs/dbraw/zinc/22/42/38/401224238.db2.gz FTGCLWPJONSZMT-UHFFFAOYSA-N 1 1 304.321 3.341 20 5 DGBDMO COc1cc([N+](=O)[O-])ccc1[C@@H](C)[NH2+]Cc1scnc1C ZINC000595013094 401230947 /nfs/dbraw/zinc/23/09/47/401230947.db2.gz QNXQWDPWXHJATH-SECBINFHSA-N 1 1 307.375 3.219 20 5 DGBDMO CC[C@@H]1[C@H](C)CC[N@H+]1CCC(=O)Nc1cc([N+](=O)[O-])ccc1C ZINC000185618874 165009980 /nfs/dbraw/zinc/00/99/80/165009980.db2.gz JSJXRYSZJRVOFM-CZUORRHYSA-N 1 1 319.405 3.352 20 5 DGBDMO C[N@H+]1CC[C@H](CNc2c(Cl)cc([N+](=O)[O-])cc2Cl)C1 ZINC000228848210 165389866 /nfs/dbraw/zinc/38/98/66/165389866.db2.gz YQIJKENBPPIWKB-MRVPVSSYSA-N 1 1 304.177 3.265 20 5 DGBDMO CC[N@H+]1CC[C@H]2CC[C@@H](C1)N2Cc1ccc([N+](=O)[O-])cc1Cl ZINC000182222915 432168336 /nfs/dbraw/zinc/16/83/36/432168336.db2.gz IHDRRZZDVGDZNZ-HIFRSBDPSA-N 1 1 323.824 3.307 20 5 DGBDMO C[N@@H+](CCC1CCOCC1)Cc1ccc([N+](=O)[O-])cc1Cl ZINC000182229325 432168494 /nfs/dbraw/zinc/16/84/94/432168494.db2.gz AHMPCIBOISRKCA-UHFFFAOYSA-N 1 1 312.797 3.497 20 5 DGBDMO O=[N+]([O-])c1cccc(CN2CC[C@@H]3[C@@H](CCC[N@H+]3C3CC3)C2)c1 ZINC000246979630 432186783 /nfs/dbraw/zinc/18/67/83/432186783.db2.gz VWFMVXIRXDYJLF-MAUKXSAKSA-N 1 1 315.417 3.044 20 5 DGBDMO C[C@@H]1c2ccccc2CC[N@@H+]1C[C@H](O)c1cccc([N+](=O)[O-])c1 ZINC000269626967 432190275 /nfs/dbraw/zinc/19/02/75/432190275.db2.gz DEANQTXPEBCZQX-ACJLOTCBSA-N 1 1 312.369 3.248 20 5 DGBDMO C[C@@H](c1cccs1)[N@@H+](C)C[C@@H](O)c1cccc([N+](=O)[O-])c1 ZINC000269671943 432195687 /nfs/dbraw/zinc/19/56/87/432195687.db2.gz OBZHBJJQJCDITN-SMDDNHRTSA-N 1 1 306.387 3.383 20 5 DGBDMO CC(C)c1[nH+]ccn1CC(=O)Nc1ccc(Cl)cc1[N+](=O)[O-] ZINC000182795304 432228457 /nfs/dbraw/zinc/22/84/57/432228457.db2.gz MAOIYIABDPBCIR-UHFFFAOYSA-N 1 1 322.752 3.207 20 5 DGBDMO COc1ncccc1C[NH2+][C@@H](C)c1cc([N+](=O)[O-])ccc1C ZINC000151151723 432224029 /nfs/dbraw/zinc/22/40/29/432224029.db2.gz OBWHECAZZQVYJO-LBPRGKRZSA-N 1 1 301.346 3.158 20 5 DGBDMO CC(C)C[N@@H+](Cc1ccc(C(N)=O)cc1[N+](=O)[O-])CC(C)(C)C ZINC000134453521 196392574 /nfs/dbraw/zinc/39/25/74/196392574.db2.gz ACCBBTIOPDGCAS-UHFFFAOYSA-N 1 1 321.421 3.198 20 5 DGBDMO Cc1c([C@H](C)NC2C[C@H]3CC[C@@H](C2)[N@@H+]3C)cccc1[N+](=O)[O-] ZINC000295853837 225312708 /nfs/dbraw/zinc/31/27/08/225312708.db2.gz FCCIRBOHCMJPCK-AVOUXACISA-N 1 1 303.406 3.179 20 5 DGBDMO Cc1c([C@H](C)[NH2+]C2C[C@H]3CC[C@@H](C2)N3C)cccc1[N+](=O)[O-] ZINC000295853837 225312716 /nfs/dbraw/zinc/31/27/16/225312716.db2.gz FCCIRBOHCMJPCK-AVOUXACISA-N 1 1 303.406 3.179 20 5 DGBDMO O=[N+]([O-])c1ccc2ccnc(N[C@H]3CC[N@H+]4CCCC[C@H]34)c2c1 ZINC000413067689 230125027 /nfs/dbraw/zinc/12/50/27/230125027.db2.gz WWSMSLOFSCXFMB-JKSUJKDBSA-N 1 1 312.373 3.182 20 5 DGBDMO COc1ccc(Cn2c[nH+]c3c2C[C@H](C)[C@H](C)C3)cc1[N+](=O)[O-] ZINC000323871840 263905308 /nfs/dbraw/zinc/90/53/08/263905308.db2.gz LSGWMLDGCLDZFW-NEPJUHHUSA-N 1 1 315.373 3.219 20 5 DGBDMO C[N@@H+](CCNc1ncc([N+](=O)[O-])cc1Cl)Cc1ccccc1 ZINC000346416023 264028845 /nfs/dbraw/zinc/02/88/45/264028845.db2.gz RCENHJRSVVISBG-UHFFFAOYSA-N 1 1 320.780 3.187 20 5 DGBDMO CCc1ccc([C@H]([NH2+]CCOC)c2ccc([N+](=O)[O-])cc2)o1 ZINC000346444609 264033406 /nfs/dbraw/zinc/03/34/06/264033406.db2.gz PGHDYFNWVBMWSQ-MRXNPFEDSA-N 1 1 304.346 3.076 20 5 DGBDMO CCc1ccc([C@H]([NH2+][C@H]2CCOC2)c2ccc([N+](=O)[O-])cc2)o1 ZINC000346618277 264066809 /nfs/dbraw/zinc/06/68/09/264066809.db2.gz FLOPWKBRDLDFSB-SUMWQHHRSA-N 1 1 316.357 3.218 20 5 DGBDMO C[C@H]([NH3+])[C@@H]1CCN(Cc2ccc(-c3cccc([N+](=O)[O-])c3)o2)C1 ZINC000346642583 264071277 /nfs/dbraw/zinc/07/12/77/264071277.db2.gz MQQNPTJDMCYPIC-GXTWGEPZSA-N 1 1 315.373 3.024 20 5 DGBDMO CC(C)c1ccc(CN2C[C@@H]3CCC[C@H]([NH3+])[C@H]3C2)cc1[N+](=O)[O-] ZINC000346827204 264104653 /nfs/dbraw/zinc/10/46/53/264104653.db2.gz HTRVSFTWZIJDKO-XIRDDKMYSA-N 1 1 317.433 3.277 20 5 DGBDMO CC[C@H](CO)[N@@H+](Cc1ccccc1)Cc1cccc([N+](=O)[O-])c1 ZINC000347356862 264205178 /nfs/dbraw/zinc/20/51/78/264205178.db2.gz XNXJVVNVKBURBL-QGZVFWFLSA-N 1 1 314.385 3.368 20 5 DGBDMO O=[N+]([O-])c1ccc2[nH]c(C[N@@H+]3CCCC4(CCC4)C3)nc2c1 ZINC000348175137 264357279 /nfs/dbraw/zinc/35/72/79/264357279.db2.gz DMPJZTYCHAZYQB-UHFFFAOYSA-N 1 1 300.362 3.237 20 5 DGBDMO O=[N+]([O-])c1ccc2[nH]c(C[N@H+]3CCCC4(CCC4)C3)nc2c1 ZINC000348175137 264357280 /nfs/dbraw/zinc/35/72/80/264357280.db2.gz DMPJZTYCHAZYQB-UHFFFAOYSA-N 1 1 300.362 3.237 20 5 DGBDMO C[C@@H](C(=O)Nc1cccc([N+](=O)[O-])c1)[N@H+]1CCCC2(CCC2)C1 ZINC000348181195 264358746 /nfs/dbraw/zinc/35/87/46/264358746.db2.gz NBXCNRXCKDIDIS-ZDUSSCGKSA-N 1 1 317.389 3.188 20 5 DGBDMO COc1ccc(C[N@@H+]2CC[C@H](C(F)(F)F)[C@@H]2C)cc1[N+](=O)[O-] ZINC000348240880 264372126 /nfs/dbraw/zinc/37/21/26/264372126.db2.gz CCPOCGZRTLIFON-ONGXEEELSA-N 1 1 318.295 3.376 20 5 DGBDMO COc1ccc(C[N@H+]2CC[C@H](C(F)(F)F)[C@@H]2C)cc1[N+](=O)[O-] ZINC000348240880 264372128 /nfs/dbraw/zinc/37/21/28/264372128.db2.gz CCPOCGZRTLIFON-ONGXEEELSA-N 1 1 318.295 3.376 20 5 DGBDMO CC(C)(C)Oc1cccc(C[NH2+]Cc2cccc([N+](=O)[O-])c2)n1 ZINC000348350792 264395086 /nfs/dbraw/zinc/39/50/86/264395086.db2.gz OZKQXAJDGYGQNM-UHFFFAOYSA-N 1 1 315.373 3.457 20 5 DGBDMO CCC[N@@H+](CC)C[C@@H](C)NC(=O)Nc1cccc([N+](=O)[O-])c1C ZINC000352405387 265035543 /nfs/dbraw/zinc/03/55/43/265035543.db2.gz ACDDUELSRWRXCP-GFCCVEGCSA-N 1 1 322.409 3.145 20 5 DGBDMO O=[N+]([O-])c1ccccc1OCC[N@H+]1CCC=C(c2ccco2)C1 ZINC000352570800 265092609 /nfs/dbraw/zinc/09/26/09/265092609.db2.gz MNICXBAMLNLBGA-UHFFFAOYSA-N 1 1 314.341 3.356 20 5 DGBDMO CN(CC[C@H]1CCCC[N@H+]1C)Cc1ccc([N+](=O)[O-])cc1F ZINC000352609983 265104038 /nfs/dbraw/zinc/10/40/38/265104038.db2.gz XZTNJZNDIKZOCD-CQSZACIVSA-N 1 1 309.385 3.040 20 5 DGBDMO COc1cc(C[N@@H+](Cc2cccnc2)C(C)C)ccc1[N+](=O)[O-] ZINC000352780226 265162567 /nfs/dbraw/zinc/16/25/67/265162567.db2.gz SDBHPGIUHAPEOV-UHFFFAOYSA-N 1 1 315.373 3.409 20 5 DGBDMO C[C@@H]1CC[C@H](c2ccccc2)[N@@H+](CCn2cc([N+](=O)[O-])cn2)C1 ZINC000352791297 265169240 /nfs/dbraw/zinc/16/92/40/265169240.db2.gz HPVOUPHJGDMJCD-RHSMWYFYSA-N 1 1 314.389 3.265 20 5 DGBDMO C[C@@H](c1ccccc1[N+](=O)[O-])[N@H+]1CC[C@H](COC(F)F)C1 ZINC000353031570 265272941 /nfs/dbraw/zinc/27/29/41/265272941.db2.gz VTGVRHHFBHXRBB-QWRGUYRKSA-N 1 1 300.305 3.217 20 5 DGBDMO CCC[N@H+]1CCC[C@H]1CNC/C=C\c1ccccc1[N+](=O)[O-] ZINC000353142988 265315906 /nfs/dbraw/zinc/31/59/06/265315906.db2.gz SANVONVGEIFPKL-SBSDFTTDSA-N 1 1 303.406 3.072 20 5 DGBDMO CCCN1CCC[C@H]1C[NH2+]C/C=C\c1ccccc1[N+](=O)[O-] ZINC000353142988 265315907 /nfs/dbraw/zinc/31/59/07/265315907.db2.gz SANVONVGEIFPKL-SBSDFTTDSA-N 1 1 303.406 3.072 20 5 DGBDMO C[C@@H]1CC[C@H]([N@H+](C/C=C\c2ccccc2[N+](=O)[O-])CCO)C1 ZINC000356359935 266365768 /nfs/dbraw/zinc/36/57/68/266365768.db2.gz HUOGQXCCFILLLD-DURLZJIISA-N 1 1 304.390 3.091 20 5 DGBDMO CC(C)[C@]1(CO)CC[N@@H+](Cc2ccc([N+](=O)[O-])cc2Cl)C1 ZINC000368066015 271128739 /nfs/dbraw/zinc/12/87/39/271128739.db2.gz VYFQMCPFIZNBJI-OAHLLOKOSA-N 1 1 312.797 3.089 20 5 DGBDMO COc1cc(C[N@H+]2CCC[C@@H]2C)c([N+](=O)[O-])cc1OC(F)F ZINC000076115296 274093689 /nfs/dbraw/zinc/09/36/89/274093689.db2.gz FKJPJDVQMIJXKW-VIFPVBQESA-N 1 1 316.304 3.189 20 5 DGBDMO COc1ccc([N+](=O)[O-])cc1C[N@H+]1CCS[C@@H]2CCCC[C@@H]21 ZINC000437540021 274118886 /nfs/dbraw/zinc/11/88/86/274118886.db2.gz ACODTMJATZSJJW-GOEBONIOSA-N 1 1 322.430 3.463 20 5 DGBDMO C[C@@H](CN[C@H]1CC(C)(C)c2ccc([N+](=O)[O-])cc21)[N@H+](C)C1CC1 ZINC000433125503 274225853 /nfs/dbraw/zinc/22/58/53/274225853.db2.gz KRSPWXOKQOUQBQ-SJCJKPOMSA-N 1 1 317.433 3.390 20 5 DGBDMO C[C@@H](CN[C@H]1CC(C)(C)c2ccc([N+](=O)[O-])cc21)[N@@H+](C)C1CC1 ZINC000433125503 274225855 /nfs/dbraw/zinc/22/58/55/274225855.db2.gz KRSPWXOKQOUQBQ-SJCJKPOMSA-N 1 1 317.433 3.390 20 5 DGBDMO O=[N+]([O-])c1ccc2c(c1)[C@H](N[C@H]1CC[N@H+]3CCCC[C@H]13)CCC2 ZINC000278222869 275038465 /nfs/dbraw/zinc/03/84/65/275038465.db2.gz JFVSQYDKXNJGFC-FGTMMUONSA-N 1 1 315.417 3.189 20 5 DGBDMO O=[N+]([O-])c1ccc2c(c1)[C@H]([NH2+][C@H]1CCN3CCCC[C@H]13)CCC2 ZINC000278222869 275038466 /nfs/dbraw/zinc/03/84/66/275038466.db2.gz JFVSQYDKXNJGFC-FGTMMUONSA-N 1 1 315.417 3.189 20 5 DGBDMO O=[N+]([O-])c1ccccc1/C=C/C[N@H+](CCO)C1CCCCC1 ZINC000155129987 275039926 /nfs/dbraw/zinc/03/99/26/275039926.db2.gz LCSUWPXRCQYPKT-SOFGYWHQSA-N 1 1 304.390 3.235 20 5 DGBDMO C[C@H]1C[C@H](Nc2ccc3cc([N+](=O)[O-])ccc3n2)C[N@H+]1C1CC1 ZINC000519613240 429471402 /nfs/dbraw/zinc/47/14/02/429471402.db2.gz NLZBYLORHNYZFG-AAEUAGOBSA-N 1 1 312.373 3.180 20 5 DGBDMO CC1(C)C[C@H](NC[C@@]2(C)CCC[NH2+]C2)c2cc([N+](=O)[O-])ccc21 ZINC000423350995 275868162 /nfs/dbraw/zinc/86/81/62/275868162.db2.gz YIQYDOGPWVUVJF-WMZOPIPTSA-N 1 1 317.433 3.297 20 5 DGBDMO CCN(CC)C[C@H](C)[NH2+][C@@H]1CCCc2ccc([N+](=O)[O-])cc21 ZINC000447534889 276108790 /nfs/dbraw/zinc/10/87/90/276108790.db2.gz AQWJZQDFSMKWOF-SUMWQHHRSA-N 1 1 305.422 3.292 20 5 DGBDMO C[N@H+]1CCC[C@@]2(CCN(c3c(Cl)cccc3[N+](=O)[O-])C2)C1 ZINC000338747774 277072560 /nfs/dbraw/zinc/07/25/60/277072560.db2.gz UVYPWTCSAWBPJI-OAHLLOKOSA-N 1 1 309.797 3.170 20 5 DGBDMO C[C@H](c1ccccc1[N+](=O)[O-])[N@H+]1CC[C@H](C2CCOCC2)C1 ZINC000330434451 278313275 /nfs/dbraw/zinc/31/32/75/278313275.db2.gz AJNXFIOPNFTRRG-HIFRSBDPSA-N 1 1 304.390 3.404 20 5 DGBDMO O=[N+]([O-])c1cc(C[N@H+]2CCC[C@H]3CCC[C@@H]32)c2c(c1)COCO2 ZINC000075769325 431495534 /nfs/dbraw/zinc/49/55/34/431495534.db2.gz HEJJDICQZTZMRQ-WBMJQRKESA-N 1 1 318.373 3.226 20 5 DGBDMO CCCC[N@@H+](CC)CCC(=O)Nc1cc([N+](=O)[O-])ccc1OC ZINC000027273560 431686671 /nfs/dbraw/zinc/68/66/71/431686671.db2.gz SSGPMUUMYFBTGW-UHFFFAOYSA-N 1 1 323.393 3.054 20 5 DGBDMO CC[C@H]1CCC[N@@H+](CCC(=O)Nc2ccccc2[N+](=O)[O-])C1 ZINC000030144626 431732816 /nfs/dbraw/zinc/73/28/16/431732816.db2.gz JTYJJAQIBRZIPK-ZDUSSCGKSA-N 1 1 305.378 3.045 20 5 DGBDMO Cc1c(C[NH+]2CCN(c3cccs3)CC2)cccc1[N+](=O)[O-] ZINC000121336852 431771545 /nfs/dbraw/zinc/77/15/45/431771545.db2.gz DBTMGFJTJACQAN-UHFFFAOYSA-N 1 1 317.414 3.287 20 5 DGBDMO Cc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@H+]1CCC2(CCC2)C1 ZINC000122871202 431846920 /nfs/dbraw/zinc/84/69/20/431846920.db2.gz LUMBDIMRXFFQEC-UHFFFAOYSA-N 1 1 317.389 3.108 20 5 DGBDMO O=[N+]([O-])c1cccc(C[N@@H+](C[C@@H]2CCCO2)[C@@H]2CCSC2)c1 ZINC000123571497 431867816 /nfs/dbraw/zinc/86/78/16/431867816.db2.gz MOTZZISHXXDHPU-CVEARBPZSA-N 1 1 322.430 3.081 20 5 DGBDMO C[C@@H]1CC[N@@H+](Cc2nc(-c3ccc([N+](=O)[O-])cc3)no2)C[C@@H]1C ZINC000122606710 431839383 /nfs/dbraw/zinc/83/93/83/431839383.db2.gz KNWATDMQGDDCBK-NEPJUHHUSA-N 1 1 316.361 3.123 20 5 DGBDMO CCN1CCC([N@H+](C)C/C=C/c2ccccc2[N+](=O)[O-])CC1 ZINC000125210638 431917814 /nfs/dbraw/zinc/91/78/14/431917814.db2.gz OUXJGVJDCPRVAB-SOFGYWHQSA-N 1 1 303.406 3.024 20 5 DGBDMO CCN1CCC([N@@H+](C)C/C=C/c2ccccc2[N+](=O)[O-])CC1 ZINC000125210638 431917817 /nfs/dbraw/zinc/91/78/17/431917817.db2.gz OUXJGVJDCPRVAB-SOFGYWHQSA-N 1 1 303.406 3.024 20 5 DGBDMO C[C@@H]1CCC[C@H](C)[N@@H+](CC(=O)N(C)c2ccc([N+](=O)[O-])cc2)C1 ZINC000125228291 431918073 /nfs/dbraw/zinc/91/80/73/431918073.db2.gz VREGSINDIHMTIR-KGLIPLIRSA-N 1 1 319.405 3.068 20 5 DGBDMO O=[N+]([O-])c1ccccc1OCC[N@H+]1CCC[C@H]1c1ccncc1 ZINC000125435344 431924849 /nfs/dbraw/zinc/92/48/49/431924849.db2.gz KHECEBJEZMJKBB-HNNXBMFYSA-N 1 1 313.357 3.206 20 5 DGBDMO Cc1ccc([C@@H](C)NC[C@@H]2CC[N@@H+](C3CC3)C2)cc1[N+](=O)[O-] ZINC000124361888 431891688 /nfs/dbraw/zinc/89/16/88/431891688.db2.gz LPVRNZOOMZMZJX-KGLIPLIRSA-N 1 1 303.406 3.038 20 5 DGBDMO Cc1ccc([C@@H](C)NC[C@@H]2CC[N@H+](C3CC3)C2)cc1[N+](=O)[O-] ZINC000124361888 431891689 /nfs/dbraw/zinc/89/16/89/431891689.db2.gz LPVRNZOOMZMZJX-KGLIPLIRSA-N 1 1 303.406 3.038 20 5 DGBDMO COc1ncccc1C[NH2+][C@@H](C)c1ccc(C)c([N+](=O)[O-])c1 ZINC000124531364 431896971 /nfs/dbraw/zinc/89/69/71/431896971.db2.gz CWRIAAAUDCCZDF-LBPRGKRZSA-N 1 1 301.346 3.158 20 5 DGBDMO O=[N+]([O-])c1ccc(CC[N@H+]2CCc3cc(F)ccc3C2)cc1 ZINC000091891416 431905908 /nfs/dbraw/zinc/90/59/08/431905908.db2.gz IINMAIDMLGDHII-UHFFFAOYSA-N 1 1 300.333 3.335 20 5 DGBDMO O=[N+]([O-])c1ccccc1OCC[N@@H+](Cc1ccncc1)C1CC1 ZINC000124857687 431907020 /nfs/dbraw/zinc/90/70/20/431907020.db2.gz APGNNBKONOAYSA-UHFFFAOYSA-N 1 1 313.357 3.033 20 5 DGBDMO C[C@H]([NH2+]Cc1ccc([N+](=O)[O-])cc1)c1nc2ccccc2n1C ZINC000126047967 431940854 /nfs/dbraw/zinc/94/08/54/431940854.db2.gz RQYMASZIZIYCAS-LBPRGKRZSA-N 1 1 310.357 3.332 20 5 DGBDMO CC(C)[N@@H+](C)Cc1ccccc1CNc1ncccc1[N+](=O)[O-] ZINC000052243833 431955604 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DGBDMO CC(C)C[N@@H+](C)Cc1cn(C)nc1-c1ccc([N+](=O)[O-])cc1 ZINC000271038585 432320720 /nfs/dbraw/zinc/32/07/20/432320720.db2.gz HCPXZLNOTWOLFB-UHFFFAOYSA-N 1 1 302.378 3.083 20 5 DGBDMO CC(C)Cn1cc(C[NH2+]Cc2ccc([N+](=O)[O-])cc2Cl)cn1 ZINC000183803876 432327161 /nfs/dbraw/zinc/32/71/61/432327161.db2.gz WCWYETGZVAKZMC-UHFFFAOYSA-N 1 1 322.796 3.391 20 5 DGBDMO C[C@H](C[N@@H+](C)CCOc1ccc([N+](=O)[O-])cc1)c1nccs1 ZINC000183934352 432335904 /nfs/dbraw/zinc/33/59/04/432335904.db2.gz PYTUVVMNDDODQJ-GFCCVEGCSA-N 1 1 321.402 3.166 20 5 DGBDMO CC[N@H+](Cc1ccncc1)Cc1ccc(OC)c([N+](=O)[O-])c1 ZINC000270966691 432308881 /nfs/dbraw/zinc/30/88/81/432308881.db2.gz BMTIMRBEOAWLRQ-UHFFFAOYSA-N 1 1 301.346 3.021 20 5 DGBDMO CC[N@@H+](Cc1ccncc1)Cc1ccc(OC)c([N+](=O)[O-])c1 ZINC000270966691 432308885 /nfs/dbraw/zinc/30/88/85/432308885.db2.gz BMTIMRBEOAWLRQ-UHFFFAOYSA-N 1 1 301.346 3.021 20 5 DGBDMO C[C@H]1CCCC[N@H+]1C[C@@H]1CCCN(c2ncc([N+](=O)[O-])s2)C1 ZINC000192455219 432376899 /nfs/dbraw/zinc/37/68/99/432376899.db2.gz JWOGBERNRVEMKN-STQMWFEESA-N 1 1 324.450 3.142 20 5 DGBDMO CC(C)(C)OC(=O)CC[N@@H+](Cc1cccc([N+](=O)[O-])c1)C1CC1 ZINC000153315795 432399259 /nfs/dbraw/zinc/39/92/59/432399259.db2.gz BQMXQQJMKLKABW-UHFFFAOYSA-N 1 1 320.389 3.291 20 5 DGBDMO CC[C@@H]1CC[C@@H](C)[N@H+]1Cc1nc(-c2ccc([N+](=O)[O-])cc2)no1 ZINC000271469493 432401747 /nfs/dbraw/zinc/40/17/47/432401747.db2.gz FYCKZVSMUHWYDQ-DGCLKSJQSA-N 1 1 316.361 3.408 20 5 DGBDMO COC(=O)CC[N@@H+](Cc1ccc(Cl)c([N+](=O)[O-])c1)C(C)C ZINC000153923061 432456213 /nfs/dbraw/zinc/45/62/13/432456213.db2.gz HJDBKTQHMZYJGS-UHFFFAOYSA-N 1 1 314.769 3.022 20 5 DGBDMO CC(C)C[N@H+]1CC[C@H](CNc2ncc(Cl)cc2[N+](=O)[O-])C1 ZINC000153945423 432457956 /nfs/dbraw/zinc/45/79/56/432457956.db2.gz SOUSYTBQIWGLGS-LLVKDONJSA-N 1 1 312.801 3.033 20 5 DGBDMO COC[C@@H]([NH2+]Cc1cccc([N+](=O)[O-])c1C)c1ccc(C)o1 ZINC000184713400 432424038 /nfs/dbraw/zinc/42/40/38/432424038.db2.gz LIFHOMYWTATPHK-CQSZACIVSA-N 1 1 304.346 3.282 20 5 DGBDMO C[C@@H]([NH2+]CCc1ccc([N+](=O)[O-])cc1)c1nc(C(C)(C)C)no1 ZINC000194507834 432556579 /nfs/dbraw/zinc/55/65/79/432556579.db2.gz BYNILPIAEMTSGO-LLVKDONJSA-N 1 1 318.377 3.169 20 5 DGBDMO C[N@H+](Cc1ccc([N+](=O)[O-])cc1)C[C@H]1OCCc2ccccc21 ZINC000263748944 432572015 /nfs/dbraw/zinc/57/20/15/432572015.db2.gz SDOQTQKTVGAYCW-GOSISDBHSA-N 1 1 312.369 3.341 20 5 DGBDMO C[N@@H+](CCC1CCOCC1)Cc1cc(Cl)ccc1[N+](=O)[O-] ZINC000177026582 432575307 /nfs/dbraw/zinc/57/53/07/432575307.db2.gz HXNRNDUSKGUVIE-UHFFFAOYSA-N 1 1 312.797 3.497 20 5 DGBDMO O=[N+]([O-])c1ccc(N2CCC[C@@H](c3[nH]cc[nH+]3)C2)c(Cl)c1 ZINC000263926904 432593378 /nfs/dbraw/zinc/59/33/78/432593378.db2.gz ZQAHPOFUOQMLHF-SNVBAGLBSA-N 1 1 306.753 3.355 20 5 DGBDMO COC[C@H]([NH2+]C/C=C/c1ccccc1[N+](=O)[O-])c1ccc(C)o1 ZINC000177569293 432638168 /nfs/dbraw/zinc/63/81/68/432638168.db2.gz LHPYNJAPMQFQIC-ZKKXHLJNSA-N 1 1 316.357 3.487 20 5 DGBDMO CCC(C)(C)[C@H]1CCC[N@H+]1CC(=O)Nc1ccccc1[N+](=O)[O-] ZINC000441660338 282038089 /nfs/dbraw/zinc/03/80/89/282038089.db2.gz IFXGVWUCFDKYMQ-OAHLLOKOSA-N 1 1 319.405 3.434 20 5 DGBDMO CC[C@H](C)C[N@@H+](CC)CC(=O)Nc1cc([N+](=O)[O-])ccc1C ZINC000177849694 432668179 /nfs/dbraw/zinc/66/81/79/432668179.db2.gz DXUCEQHZDPFXNO-LBPRGKRZSA-N 1 1 307.394 3.210 20 5 DGBDMO C[C@@H](c1ccccc1[N+](=O)[O-])[N@H+]1CCSC2(CCOCC2)C1 ZINC000274482190 432674996 /nfs/dbraw/zinc/67/49/96/432674996.db2.gz FOFMWTYSLLFTTI-ZDUSSCGKSA-N 1 1 322.430 3.254 20 5 DGBDMO Cc1ccc([C@@H](C)NCC[N@@H+]2CCC[C@H](C)C2)cc1[N+](=O)[O-] ZINC000178066948 432690487 /nfs/dbraw/zinc/69/04/87/432690487.db2.gz GXKKBCPCLNANBN-DZGCQCFKSA-N 1 1 305.422 3.286 20 5 DGBDMO Cc1ccc([C@@H](C)NCC[N@H+]2CCC[C@H](C)C2)cc1[N+](=O)[O-] ZINC000178066948 432690491 /nfs/dbraw/zinc/69/04/91/432690491.db2.gz GXKKBCPCLNANBN-DZGCQCFKSA-N 1 1 305.422 3.286 20 5 DGBDMO COc1cccc(C[NH2+][C@@H](C)c2ccc(C)c([N+](=O)[O-])c2)n1 ZINC000178754377 432772745 /nfs/dbraw/zinc/77/27/45/432772745.db2.gz XFTPKEJVHWBHDC-LBPRGKRZSA-N 1 1 301.346 3.158 20 5 DGBDMO Cc1ccc([N+](=O)[O-])cc1[C@H](C)[N@@H+](C)C[C@@H]1CCCC[C@H]1O ZINC000245521005 432839277 /nfs/dbraw/zinc/83/92/77/432839277.db2.gz KFIOFFRPTWZVAM-GRDNDAEWSA-N 1 1 306.406 3.447 20 5 DGBDMO C[N@H+](Cc1ccc2c(c1)OCO2)Cc1ccc([N+](=O)[O-])c(F)c1 ZINC000276325326 432795735 /nfs/dbraw/zinc/79/57/35/432795735.db2.gz PSIOGUXVYAICCM-UHFFFAOYSA-N 1 1 318.304 3.095 20 5 DGBDMO C[N@@H+](Cc1ccc2c(c1)OCO2)Cc1ccc([N+](=O)[O-])c(F)c1 ZINC000276325326 432795740 /nfs/dbraw/zinc/79/57/40/432795740.db2.gz PSIOGUXVYAICCM-UHFFFAOYSA-N 1 1 318.304 3.095 20 5 DGBDMO Cc1cccc([N+](=O)[O-])c1N1CC[C@H]2[C@H](CCC[N@H+]2C2CC2)C1 ZINC000161936392 432803894 /nfs/dbraw/zinc/80/38/94/432803894.db2.gz IWIQNBZDOPKMQH-ZBFHGGJFSA-N 1 1 315.417 3.356 20 5 DGBDMO CC[C@]1(CO)CCC[N@H+]1Cc1cc([N+](=O)[O-])ccc1OC(C)C ZINC000189665998 432809397 /nfs/dbraw/zinc/80/93/97/432809397.db2.gz IGPFRJUBZQSCNA-QGZVFWFLSA-N 1 1 322.405 3.119 20 5 DGBDMO Cc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@@H+]1CC[C@H](C)[C@@H](C)C1 ZINC000245924230 432869760 /nfs/dbraw/zinc/86/97/60/432869760.db2.gz OIOBQHAEDUTMBB-JSGCOSHPSA-N 1 1 319.405 3.210 20 5 DGBDMO C[C@@H]1CC[N@@H+](Cc2nnc(-c3ccc([N+](=O)[O-])cc3)o2)C[C@H]1C ZINC000245941780 432871126 /nfs/dbraw/zinc/87/11/26/432871126.db2.gz RBJXYNHUSOMHDS-VXGBXAGGSA-N 1 1 316.361 3.123 20 5 DGBDMO COc1cc(C[N@H+]2CCC[C@H]3CCC[C@H]32)c([N+](=O)[O-])cc1OC ZINC000245551300 432843428 /nfs/dbraw/zinc/84/34/28/432843428.db2.gz BAZLGCPLFXBVMB-TZMCWYRMSA-N 1 1 320.389 3.377 20 5 DGBDMO CC(C)c1ccc(C[N@@H+]2CCC[C@@H]2C[C@H](C)O)cc1[N+](=O)[O-] ZINC000245712073 432857371 /nfs/dbraw/zinc/85/73/71/432857371.db2.gz GFBNFFRROAJBOA-DZGCQCFKSA-N 1 1 306.406 3.454 20 5 DGBDMO C[C@H](O)[C@@H]1C[C@H](C)CC[N@H+]1Cc1ccc(Cl)cc1[N+](=O)[O-] ZINC000331275943 432938228 /nfs/dbraw/zinc/93/82/28/432938228.db2.gz FKPSNMIRQFIFKV-SUNKGSAMSA-N 1 1 312.797 3.230 20 5 DGBDMO C[C@@H]1C[C@H](N[C@@H]2CC(C)(C)c3ccc([N+](=O)[O-])cc32)CC[N@@H+]1C ZINC000332037797 432966858 /nfs/dbraw/zinc/96/68/58/432966858.db2.gz XHIDZMGARXBPBR-PBFPGSCMSA-N 1 1 317.433 3.390 20 5 DGBDMO C[C@@H]1C[C@H](N[C@@H]2CC(C)(C)c3ccc([N+](=O)[O-])cc32)CC[N@H+]1C ZINC000332037797 432966860 /nfs/dbraw/zinc/96/68/60/432966860.db2.gz XHIDZMGARXBPBR-PBFPGSCMSA-N 1 1 317.433 3.390 20 5 DGBDMO Cc1[nH+]ccn1CCCNc1nccc2cc([N+](=O)[O-])ccc21 ZINC000297174335 432968064 /nfs/dbraw/zinc/96/80/64/432968064.db2.gz PRIGFAQDAVDRPH-UHFFFAOYSA-N 1 1 311.345 3.150 20 5 DGBDMO CCCC[N@@H+](C)C[C@@H](C)Nc1ncnc2sc([N+](=O)[O-])cc21 ZINC000341132994 432971803 /nfs/dbraw/zinc/97/18/03/432971803.db2.gz WLVNZCNHJVKPSF-SNVBAGLBSA-N 1 1 323.422 3.132 20 5 DGBDMO COc1ccc(C[N@@H+]2CCC(F)(F)[C@@H](C)C2)cc1[N+](=O)[O-] ZINC000289375845 432951676 /nfs/dbraw/zinc/95/16/76/432951676.db2.gz BTJSTVVRUPVTEM-JTQLQIEISA-N 1 1 300.305 3.081 20 5 DGBDMO COc1ccc(C[N@H+]2CCC(F)(F)[C@@H](C)C2)cc1[N+](=O)[O-] ZINC000289375845 432951678 /nfs/dbraw/zinc/95/16/78/432951678.db2.gz BTJSTVVRUPVTEM-JTQLQIEISA-N 1 1 300.305 3.081 20 5 DGBDMO Cn1cc2c(n1)CCC[C@@H]2[NH2+]Cc1cc([N+](=O)[O-])ccc1Cl ZINC000280168867 433008184 /nfs/dbraw/zinc/00/81/84/433008184.db2.gz RCFIXLQQDBPBIA-AWEZNQCLSA-N 1 1 320.780 3.149 20 5 DGBDMO CCC[C@H](C)[N@@H+](C)CCC(=O)Nc1ccc(OC)cc1[N+](=O)[O-] ZINC000297954312 433035912 /nfs/dbraw/zinc/03/59/12/433035912.db2.gz TVRXMFJUGLSLQT-LBPRGKRZSA-N 1 1 323.393 3.052 20 5 DGBDMO CC(=O)c1cc(NCCC[N@@H+]2CCCC[C@H]2C)ccc1[N+](=O)[O-] ZINC000341356776 433037238 /nfs/dbraw/zinc/03/72/38/433037238.db2.gz YCDASMFNBVFITD-CYBMUJFWSA-N 1 1 319.405 3.474 20 5 DGBDMO C[C@H](O)C[C@H]1CCCC[N@H+]1C/C=C/c1ccccc1[N+](=O)[O-] ZINC000280579833 433093031 /nfs/dbraw/zinc/09/30/31/433093031.db2.gz WOWIBDCKYGTZMQ-AFDQWNBZSA-N 1 1 304.390 3.233 20 5 DGBDMO O=[N+]([O-])c1cnn(CC[N@H+]2CCCC3(C2)CCCCCC3)c1 ZINC000350150085 433097240 /nfs/dbraw/zinc/09/72/40/433097240.db2.gz AVBYPPQDWIJZPS-UHFFFAOYSA-N 1 1 306.410 3.228 20 5 DGBDMO O=[N+]([O-])c1cccc([C@@H](O)C[N@@H+](CC2CC2)CC2CCC2)c1 ZINC000280684960 433135443 /nfs/dbraw/zinc/13/54/43/433135443.db2.gz HCGWVTVSOZJFIW-KRWDZBQOSA-N 1 1 304.390 3.140 20 5 DGBDMO O=[N+]([O-])c1ccc2c(c1)C[N@H+]([C@@H]1C[C@H]1c1ccccc1)CCO2 ZINC000361377376 433139519 /nfs/dbraw/zinc/13/95/19/433139519.db2.gz ONDHGPGNIANDMR-DLBZAZTESA-N 1 1 310.353 3.345 20 5 DGBDMO O=[N+]([O-])c1ccc2c(c1)C[N@@H+]([C@@H]1C[C@H]1c1ccccc1)CCO2 ZINC000361377376 433139526 /nfs/dbraw/zinc/13/95/26/433139526.db2.gz ONDHGPGNIANDMR-DLBZAZTESA-N 1 1 310.353 3.345 20 5 DGBDMO Cc1c([C@@H](C)NCC[N@H+]2CCCC2(C)C)cccc1[N+](=O)[O-] ZINC000453388786 433146425 /nfs/dbraw/zinc/14/64/25/433146425.db2.gz FYGPQQYULNAYIO-CQSZACIVSA-N 1 1 305.422 3.428 20 5 DGBDMO Cc1c([C@@H](C)[NH2+]CCN2CCCC2(C)C)cccc1[N+](=O)[O-] ZINC000453388786 433146431 /nfs/dbraw/zinc/14/64/31/433146431.db2.gz FYGPQQYULNAYIO-CQSZACIVSA-N 1 1 305.422 3.428 20 5 DGBDMO Cc1sccc1C[NH+]1CCN(c2ccccc2[N+](=O)[O-])CC1 ZINC000350217444 433112351 /nfs/dbraw/zinc/11/23/51/433112351.db2.gz IFVLDXLMHWTPBG-UHFFFAOYSA-N 1 1 317.414 3.287 20 5 DGBDMO CCCC[N@@H+](Cc1nnc(-c2ccc([N+](=O)[O-])cc2)o1)C1CC1 ZINC000298493377 433155762 /nfs/dbraw/zinc/15/57/62/433155762.db2.gz NDJDIYLHLCTQIK-UHFFFAOYSA-N 1 1 316.361 3.409 20 5 DGBDMO CN(C(=O)C[N@@H+](C)[C@@H]1CCC(C)(C)C1)c1ccc([N+](=O)[O-])cc1 ZINC000361469876 433184970 /nfs/dbraw/zinc/18/49/70/433184970.db2.gz OVVZXISENYTAFK-OAHLLOKOSA-N 1 1 319.405 3.068 20 5 DGBDMO C[C@@H]1[C@H](Nc2ccc([N+](=O)[O-])cn2)CC[N@H+]1Cc1ccccc1 ZINC000336719409 433189327 /nfs/dbraw/zinc/18/93/27/433189327.db2.gz SDUDYZMHQXEYCZ-CZUORRHYSA-N 1 1 312.373 3.065 20 5 DGBDMO C[C@H](CO)[N@H+](Cc1ccc(Cl)cc1[N+](=O)[O-])CC1CCC1 ZINC000361498559 433211874 /nfs/dbraw/zinc/21/18/74/433211874.db2.gz USZOWGGSEDRJTG-LLVKDONJSA-N 1 1 312.797 3.231 20 5 DGBDMO CC(C)C[N@@H+](CCn1cc([N+](=O)[O-])cn1)Cc1ccccc1F ZINC000350685047 433255944 /nfs/dbraw/zinc/25/59/44/433255944.db2.gz NDKCIRMHQWMBPT-UHFFFAOYSA-N 1 1 320.368 3.089 20 5 DGBDMO CC[N@H+](Cc1coc(-c2ccc([N+](=O)[O-])cc2)n1)C[C@H](C)OC ZINC000361572010 433256390 /nfs/dbraw/zinc/25/63/90/433256390.db2.gz BOWMWCDXMQNEKG-LBPRGKRZSA-N 1 1 319.361 3.107 20 5 DGBDMO CC1(C)C[C@H](c2ccccc2)[N@@H+](CCn2ccc([N+](=O)[O-])n2)C1 ZINC000425538330 433289744 /nfs/dbraw/zinc/28/97/44/433289744.db2.gz IPBUHYJXSNTQEM-OAHLLOKOSA-N 1 1 314.389 3.265 20 5 DGBDMO Cc1nn(C)cc1[C@@H]1CCC[N@@H+]1Cc1ccc([N+](=O)[O-])c(F)c1 ZINC000374869764 433298517 /nfs/dbraw/zinc/29/85/17/433298517.db2.gz UFAOPPADVIZODX-HNNXBMFYSA-N 1 1 318.352 3.113 20 5 DGBDMO Cc1nn(C)cc1[C@@H]1CCC[N@H+]1Cc1ccc([N+](=O)[O-])c(F)c1 ZINC000374869764 433298524 /nfs/dbraw/zinc/29/85/24/433298524.db2.gz UFAOPPADVIZODX-HNNXBMFYSA-N 1 1 318.352 3.113 20 5 DGBDMO COc1cc(C)nc(C[NH2+][C@@H](C)c2ccc(C)c([N+](=O)[O-])c2)c1 ZINC000299176549 433341319 /nfs/dbraw/zinc/34/13/19/433341319.db2.gz YQERAPCMHLIZRL-ZDUSSCGKSA-N 1 1 315.373 3.466 20 5 DGBDMO C[N@@H+](CCCCCO)Cc1cc([N+](=O)[O-])ccc1C(F)(F)F ZINC000339134517 433383112 /nfs/dbraw/zinc/38/31/12/433383112.db2.gz FHCCKCITGTVKHK-UHFFFAOYSA-N 1 1 320.311 3.208 20 5 DGBDMO C[C@H](c1nc(-c2ccc([N+](=O)[O-])o2)no1)[N@@H+]1[C@H](C)CC[C@@H]1C ZINC000351144858 433388426 /nfs/dbraw/zinc/38/84/26/433388426.db2.gz JCELGBCHBONVPG-KXUCPTDWSA-N 1 1 306.322 3.172 20 5 DGBDMO C[C@@H]1CCC[N@@H+](CCNc2ccc([N+](=O)[O-])c3cccnc23)C1 ZINC000301058597 433396672 /nfs/dbraw/zinc/39/66/72/433396672.db2.gz BCPLTHXKWWJUGL-CYBMUJFWSA-N 1 1 314.389 3.287 20 5 DGBDMO COCc1ccc(C[N@@H+](C)CCc2ccccc2[N+](=O)[O-])cc1 ZINC000339186877 433424204 /nfs/dbraw/zinc/42/42/04/433424204.db2.gz WFJGQSYIHGZVPR-UHFFFAOYSA-N 1 1 314.385 3.416 20 5 DGBDMO O=[N+]([O-])c1cc(Cl)ccc1C[N@@H+]1CCC[C@H]1[C@@H]1CCCO1 ZINC000375348450 433439180 /nfs/dbraw/zinc/43/91/80/433439180.db2.gz IZKNXGSSOBUJGF-ZFWWWQNUSA-N 1 1 310.781 3.392 20 5 DGBDMO O=[N+]([O-])c1cc(Cl)ccc1C[N@H+]1CCC[C@H]1[C@@H]1CCCO1 ZINC000375348450 433439191 /nfs/dbraw/zinc/43/91/91/433439191.db2.gz IZKNXGSSOBUJGF-ZFWWWQNUSA-N 1 1 310.781 3.392 20 5 DGBDMO CCOc1cc(N[C@H]2CC[N@H+]3CCCC[C@H]23)ccc1[N+](=O)[O-] ZINC000301175092 433440132 /nfs/dbraw/zinc/44/01/32/433440132.db2.gz FUASTCDSRFWERP-UONOGXRCSA-N 1 1 305.378 3.032 20 5 DGBDMO CCOc1cc(N[C@H]2CC[N@H+]3CCCC[C@@H]23)ccc1[N+](=O)[O-] ZINC000301175090 433440532 /nfs/dbraw/zinc/44/05/32/433440532.db2.gz FUASTCDSRFWERP-KBPBESRZSA-N 1 1 305.378 3.032 20 5 DGBDMO CC[N@@H+](CCC1CC1)[C@@H](C)C(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000355062161 433444982 /nfs/dbraw/zinc/44/49/82/433444982.db2.gz PUNYFDWKWZPMRH-LBPRGKRZSA-N 1 1 305.378 3.044 20 5 DGBDMO C[N@H+]1CC[C@H]2[C@@H](CCCN2c2ccc(Cl)cc2[N+](=O)[O-])C1 ZINC000302788540 290240230 /nfs/dbraw/zinc/24/02/30/290240230.db2.gz XMQGYTSXLRKYLC-AAEUAGOBSA-N 1 1 309.797 3.169 20 5 DGBDMO COc1cc(NCCCCn2cc[nH+]c2C)c(F)cc1[N+](=O)[O-] ZINC000351474983 433521854 /nfs/dbraw/zinc/52/18/54/433521854.db2.gz ASFLXJZERKAMQC-UHFFFAOYSA-N 1 1 322.340 3.140 20 5 DGBDMO C[C@@H]1C[N@@H+](C)[C@@H](C)CN1c1ccc(C(F)(F)F)cc1[N+](=O)[O-] ZINC000351504693 433533354 /nfs/dbraw/zinc/53/33/54/433533354.db2.gz KSBADSAOOHKQDH-VHSXEESVSA-N 1 1 317.311 3.142 20 5 DGBDMO C[C@H]1CC[C@H](c2ccccc2)[N@H+](Cc2c([N+](=O)[O-])ncn2C)C1 ZINC000375760748 433557683 /nfs/dbraw/zinc/55/76/83/433557683.db2.gz UDSWOLURNOLIEN-DZGCQCFKSA-N 1 1 314.389 3.302 20 5 DGBDMO C[C@H]1CC[C@H](c2ccccc2)[N@@H+](Cc2c([N+](=O)[O-])ncn2C)C1 ZINC000375760748 433557690 /nfs/dbraw/zinc/55/76/90/433557690.db2.gz UDSWOLURNOLIEN-DZGCQCFKSA-N 1 1 314.389 3.302 20 5 DGBDMO Cc1cnc(NCCC[N@@H+]2C[C@H](C)C[C@H](C)C2)c([N+](=O)[O-])c1 ZINC000301453057 433561939 /nfs/dbraw/zinc/56/19/39/433561939.db2.gz QXTDLQSECJIADK-OKILXGFUSA-N 1 1 306.410 3.078 20 5 DGBDMO Cc1cc([N+](=O)[O-])ccc1NCC[N@H+]1CCc2sccc2C1 ZINC000301459462 433565031 /nfs/dbraw/zinc/56/50/31/433565031.db2.gz YKNJUMXSADOMMR-UHFFFAOYSA-N 1 1 317.414 3.435 20 5 DGBDMO Cc1cc(N2CCC[C@@H](c3[nH]cc[nH+]3)C2)c(F)cc1[N+](=O)[O-] ZINC000292518989 433574901 /nfs/dbraw/zinc/57/49/01/433574901.db2.gz GYHUMXVZBBYDDJ-LLVKDONJSA-N 1 1 304.325 3.149 20 5 DGBDMO CCOc1cc(NCC[N@H+]2CCC[C@@H](C)C2)ccc1[N+](=O)[O-] ZINC000301502508 433582043 /nfs/dbraw/zinc/58/20/43/433582043.db2.gz FMVJWPZDMAFLDL-CYBMUJFWSA-N 1 1 307.394 3.137 20 5 DGBDMO C[C@@H]1C[C@H](Nc2ncccc2[N+](=O)[O-])C[N@H+]1Cc1ccccc1 ZINC000301611964 433639875 /nfs/dbraw/zinc/63/98/75/433639875.db2.gz FFAWGUWYPNFWIU-HIFRSBDPSA-N 1 1 312.373 3.065 20 5 DGBDMO O=[N+]([O-])c1ccc2c(c1)C[N@@H+](Cc1cccc3cc[nH]c31)CCO2 ZINC000356526298 433607073 /nfs/dbraw/zinc/60/70/73/433607073.db2.gz MWDMVVNNSFHMQQ-UHFFFAOYSA-N 1 1 323.352 3.471 20 5 DGBDMO O=[N+]([O-])c1ccc2c(c1)C[N@H+](Cc1cccc3cc[nH]c31)CCO2 ZINC000356526298 433607079 /nfs/dbraw/zinc/60/70/79/433607079.db2.gz MWDMVVNNSFHMQQ-UHFFFAOYSA-N 1 1 323.352 3.471 20 5 DGBDMO Cc1nc(NCCCC[N@@H+]2C[C@H](C)C[C@H](C)C2)ccc1[N+](=O)[O-] ZINC000301638597 433653590 /nfs/dbraw/zinc/65/35/90/433653590.db2.gz LPERNBKMTYMVPY-OKILXGFUSA-N 1 1 320.437 3.468 20 5 DGBDMO CC(C)[C@H]1C[N@@H+](CCOc2ccc([N+](=O)[O-])cc2)CCS1 ZINC000362382700 433669219 /nfs/dbraw/zinc/66/92/19/433669219.db2.gz AFXIOROUXOWERH-OAHLLOKOSA-N 1 1 310.419 3.047 20 5 DGBDMO CC(C)[C@H]1C[N@@H+](CCOc2cccc([N+](=O)[O-])c2)CCS1 ZINC000362384911 433678395 /nfs/dbraw/zinc/67/83/95/433678395.db2.gz OCPUEZQBJACQQQ-OAHLLOKOSA-N 1 1 310.419 3.047 20 5 DGBDMO O=[N+]([O-])c1ccccc1/C=C\C[N@H+]1C[C@H](O)C[C@H]1c1ccccc1 ZINC000414485408 433649504 /nfs/dbraw/zinc/64/95/04/433649504.db2.gz LHERCCXUAIXWMI-ULXYLZTKSA-N 1 1 324.380 3.416 20 5 DGBDMO Cc1cc(N2CC[C@@H]3[C@@H](CCC[N@@H+]3C)C2)c(Cl)cc1[N+](=O)[O-] ZINC000301727447 433694471 /nfs/dbraw/zinc/69/44/71/433694471.db2.gz VTWOEKOTEGAMSA-GXTWGEPZSA-N 1 1 323.824 3.477 20 5 DGBDMO C[N@H+]1CC[C@@H]2[C@@H](CCCN2c2ccc([N+](=O)[O-])cc2Cl)C1 ZINC000301744516 433702517 /nfs/dbraw/zinc/70/25/17/433702517.db2.gz ZXXCXQSEVJHVTB-SMDDNHRTSA-N 1 1 309.797 3.169 20 5 DGBDMO Cc1ccc([C@H]2CCCCC[N@H+]2Cc2c([N+](=O)[O-])ncn2C)o1 ZINC000370044993 293151856 /nfs/dbraw/zinc/15/18/56/293151856.db2.gz JIXLPSLYVJHTOC-CYBMUJFWSA-N 1 1 318.377 3.347 20 5 DGBDMO Cc1ccc([C@H]2CCCCC[N@@H+]2Cc2c([N+](=O)[O-])ncn2C)o1 ZINC000370044993 293151857 /nfs/dbraw/zinc/15/18/57/293151857.db2.gz JIXLPSLYVJHTOC-CYBMUJFWSA-N 1 1 318.377 3.347 20 5 DGBDMO C[C@H]1CCC[N@@H+](CCC(=O)Nc2ccccc2[N+](=O)[O-])[C@H]1C ZINC000283248466 433699072 /nfs/dbraw/zinc/69/90/72/433699072.db2.gz JRWMPNLJHRAKTM-STQMWFEESA-N 1 1 305.378 3.044 20 5 DGBDMO Cc1cc([N+](=O)[O-])ccc1C[N@@H+]1CCC[C@H](c2ccnn2C)C1 ZINC000370375964 293171688 /nfs/dbraw/zinc/17/16/88/293171688.db2.gz WBVGJJDYEMTBCJ-HNNXBMFYSA-N 1 1 314.389 3.016 20 5 DGBDMO Cc1[nH+]ccn1CCCN(C)c1ccc(Cl)cc1[N+](=O)[O-] ZINC000301756306 433708652 /nfs/dbraw/zinc/70/86/52/433708652.db2.gz DNMUBIBGAQIZRZ-UHFFFAOYSA-N 1 1 308.769 3.280 20 5 DGBDMO O=[N+]([O-])c1ccc2c(c1)[C@H](N[C@@H]1CC[N@@H+]3CCC[C@@H]3C1)CCC2 ZINC000373024952 293252101 /nfs/dbraw/zinc/25/21/01/293252101.db2.gz ONHSDCXUXKYANI-IIDMSEBBSA-N 1 1 315.417 3.189 20 5 DGBDMO O=[N+]([O-])c1ccc2c(c1)[C@H](N[C@@H]1CC[N@H+]3CCC[C@@H]3C1)CCC2 ZINC000373024952 293252105 /nfs/dbraw/zinc/25/21/05/293252105.db2.gz ONHSDCXUXKYANI-IIDMSEBBSA-N 1 1 315.417 3.189 20 5 DGBDMO CC(C)c1ccc([C@H](C)[NH2+]Cc2c([N+](=O)[O-])ncn2C)cc1 ZINC000356813341 433711349 /nfs/dbraw/zinc/71/13/49/433711349.db2.gz QDDBGOSYQUKSSI-LBPRGKRZSA-N 1 1 302.378 3.303 20 5 DGBDMO COc1cc([N+](=O)[O-])ccc1C[N@H+]1CC[C@@H](c2ccco2)C1 ZINC000373784054 293316163 /nfs/dbraw/zinc/31/61/63/293316163.db2.gz WFIJXBKTDYRSNC-CYBMUJFWSA-N 1 1 302.330 3.186 20 5 DGBDMO O=[N+]([O-])c1cc(C[N@H+]2CC[C@H](C3CCOCC3)C2)ccc1Cl ZINC000374369190 293390472 /nfs/dbraw/zinc/39/04/72/293390472.db2.gz UWNYNGAXDBJEEU-AWEZNQCLSA-N 1 1 324.808 3.497 20 5 DGBDMO C[C@@H]1CC[N@@H+](CCC(=O)Nc2ccccc2[N+](=O)[O-])[C@@H](C)C1 ZINC000283376478 433713697 /nfs/dbraw/zinc/71/36/97/433713697.db2.gz SORDXVIWNVECEB-OLZOCXBDSA-N 1 1 305.378 3.044 20 5 DGBDMO C[C@@H](C(=O)Nc1cccc([N+](=O)[O-])c1)[N@H+]1CC[C@H](CC2CC2)C1 ZINC000339685304 433730346 /nfs/dbraw/zinc/73/03/46/433730346.db2.gz YEKXQUGIJXALOM-GXTWGEPZSA-N 1 1 317.389 3.044 20 5 DGBDMO CC[N@H+]1C[C@@H](C)N(c2ccnc3c2cccc3[N+](=O)[O-])C[C@H]1C ZINC000432345025 433823004 /nfs/dbraw/zinc/82/30/04/433823004.db2.gz FQOIVLLYQICHPT-CHWSQXEVSA-N 1 1 314.389 3.062 20 5 DGBDMO Cc1cc([N+](=O)[O-])cnc1N[C@H](C)C[N@@H+](C)Cc1ccccc1 ZINC000301984802 433809637 /nfs/dbraw/zinc/80/96/37/433809637.db2.gz CGZMHGVPYLYQTD-CQSZACIVSA-N 1 1 314.389 3.231 20 5 DGBDMO C[C@@H]1[C@H](Nc2ccnc3c2cccc3[N+](=O)[O-])CCC[N@H+]1C ZINC000432144174 433820885 /nfs/dbraw/zinc/82/08/85/433820885.db2.gz VWGADGWWGIPJFN-DGCLKSJQSA-N 1 1 300.362 3.038 20 5 DGBDMO Cc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@H+](C)[C@@H](C)C1CCC1 ZINC000357028082 433828236 /nfs/dbraw/zinc/82/82/36/433828236.db2.gz ASAZGUOVRZWUNP-ZDUSSCGKSA-N 1 1 319.405 3.352 20 5 DGBDMO COC(=O)CC[N@@H+](C/C=C/c1ccccc1[N+](=O)[O-])CC(C)C ZINC000351979891 433830613 /nfs/dbraw/zinc/83/06/13/433830613.db2.gz YYJAXXNYMYRYLQ-SOFGYWHQSA-N 1 1 320.389 3.129 20 5 DGBDMO C[NH+](C)C1(CN[C@@H]2CC(C)(C)c3ccc([N+](=O)[O-])cc32)CCC1 ZINC000433100555 433841033 /nfs/dbraw/zinc/84/10/33/433841033.db2.gz MRQUJQDQNOWXNU-MRXNPFEDSA-N 1 1 317.433 3.391 20 5 DGBDMO NC[C@@H]([NH2+]Cc1ccc(-c2ccccc2[N+](=O)[O-])s1)C1CC1 ZINC000414798526 433844345 /nfs/dbraw/zinc/84/43/45/433844345.db2.gz JKPPZUUPXZIOAO-CQSZACIVSA-N 1 1 317.414 3.150 20 5 DGBDMO C[C@H]1Oc2cc(F)ccc2[C@H]1[NH2+]Cc1cccc([N+](=O)[O-])c1 ZINC000377384019 293651618 /nfs/dbraw/zinc/65/16/18/293651618.db2.gz UDJIUMWSPBIDNN-HWPZZCPQSA-N 1 1 302.305 3.346 20 5 DGBDMO CC[C@@H](C)[N@@H+](C)CCNC(=O)c1ccc(C(C)C)c([N+](=O)[O-])c1 ZINC000352038612 433880109 /nfs/dbraw/zinc/88/01/09/433880109.db2.gz KHOGGRMHENHLKA-CYBMUJFWSA-N 1 1 321.421 3.178 20 5 DGBDMO CCc1cnc(C[NH2+][C@@H](C)c2ccc(N)c([N+](=O)[O-])c2)s1 ZINC000284317106 433883420 /nfs/dbraw/zinc/88/34/20/433883420.db2.gz ZPHGPFFMJBAVFY-VIFPVBQESA-N 1 1 306.391 3.047 20 5 DGBDMO CCC(CC)C[N@@H+](CC)CC(=O)Nc1ccccc1[N+](=O)[O-] ZINC000303595585 433951464 /nfs/dbraw/zinc/95/14/64/433951464.db2.gz IXIMBJGYVCPREA-UHFFFAOYSA-N 1 1 307.394 3.291 20 5 DGBDMO C[C@@H]1CC[C@H](C)[N@@H+]1[C@@H]1CCCN(Cc2ccccc2[N+](=O)[O-])C1 ZINC000352296494 434029582 /nfs/dbraw/zinc/02/95/82/434029582.db2.gz FELGUJRQCXPBIW-HLLBOEOZSA-N 1 1 317.433 3.432 20 5 DGBDMO C[C@@H]1CC[C@H](C)[N@@H+]1[C@H]1CCCN(Cc2ccccc2[N+](=O)[O-])C1 ZINC000352296496 434029662 /nfs/dbraw/zinc/02/96/62/434029662.db2.gz FELGUJRQCXPBIW-UXLLHSPISA-N 1 1 317.433 3.432 20 5 DGBDMO C[C@@H]1CC[C@H](C)[N@@H+]1[C@@H]1CCCN(Cc2cccc([N+](=O)[O-])c2)C1 ZINC000352298664 434032352 /nfs/dbraw/zinc/03/23/52/434032352.db2.gz ZWXJNPDWGVXBFD-RVKKMQEKSA-N 1 1 317.433 3.432 20 5 DGBDMO CC(C)[N@H+]1CCCC[C@@H]1CN(C)Cc1ccccc1[N+](=O)[O-] ZINC000340280007 434033670 /nfs/dbraw/zinc/03/36/70/434033670.db2.gz SJOHPDBVFWYYDP-MRXNPFEDSA-N 1 1 305.422 3.290 20 5 DGBDMO Cc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@H+]1CCC[C@H]1C1CC1 ZINC000363385428 434038643 /nfs/dbraw/zinc/03/86/43/434038643.db2.gz YWRAGEPEKOZXQL-INIZCTEOSA-N 1 1 317.389 3.106 20 5 DGBDMO O=[N+]([O-])c1cccc2c1ccnc2N[C@H]1CC[N@H+]2CCCC[C@H]12 ZINC000450257967 434063678 /nfs/dbraw/zinc/06/36/78/434063678.db2.gz YJOCRMYECBBMGR-GOEBONIOSA-N 1 1 312.373 3.182 20 5 DGBDMO CC[C@@H]1CC[C@@H](C)[N@H+]1CCC(=O)Nc1cc([N+](=O)[O-])ccc1C ZINC000357554897 434074978 /nfs/dbraw/zinc/07/49/78/434074978.db2.gz SXLVYZARHVPLSI-ZIAGYGMSSA-N 1 1 319.405 3.495 20 5 DGBDMO CC[N@@H+](CCNc1nccc2c1cccc2[N+](=O)[O-])C1CC1 ZINC000450298304 434088057 /nfs/dbraw/zinc/08/80/57/434088057.db2.gz APKVUXJGQQFUAU-UHFFFAOYSA-N 1 1 300.362 3.039 20 5 DGBDMO CC[C@@H](NCCCCc1ccc([N+](=O)[O-])cc1)[C@@H]1CCC[NH2+]1 ZINC000422926060 434112164 /nfs/dbraw/zinc/11/21/64/434112164.db2.gz WBFOPMSHTSFCSH-SJORKVTESA-N 1 1 305.422 3.038 20 5 DGBDMO C[C@@H]1C[C@@H](Nc2nccc3c2cccc3[N+](=O)[O-])CC[N@H+]1C ZINC000450353810 434123384 /nfs/dbraw/zinc/12/33/84/434123384.db2.gz HBPUTWCYKHMEBI-NEPJUHHUSA-N 1 1 300.362 3.038 20 5 DGBDMO Cc1ccc(C[NH+]2CCN(c3ccccc3[N+](=O)[O-])CC2)s1 ZINC000505558911 294242511 /nfs/dbraw/zinc/24/25/11/294242511.db2.gz GUEJAYZDRISGDO-UHFFFAOYSA-N 1 1 317.414 3.287 20 5 DGBDMO Cn1cnc([N+](=O)[O-])c1C[N@H+](Cc1ccc(F)cc1)C(C)(C)C ZINC000353445251 434137599 /nfs/dbraw/zinc/13/75/99/434137599.db2.gz CWHLLIJCCOYLCU-UHFFFAOYSA-N 1 1 320.368 3.268 20 5 DGBDMO Cn1cnc([N+](=O)[O-])c1C[N@@H+](Cc1ccc(F)cc1)C(C)(C)C ZINC000353445251 434137609 /nfs/dbraw/zinc/13/76/09/434137609.db2.gz CWHLLIJCCOYLCU-UHFFFAOYSA-N 1 1 320.368 3.268 20 5 DGBDMO C[C@H]1[N@@H+](CCc2ccc([N+](=O)[O-])cc2)CCC12CCOCC2 ZINC000363792844 434148372 /nfs/dbraw/zinc/14/83/72/434148372.db2.gz GSASHMWCHXHHEL-CQSZACIVSA-N 1 1 304.390 3.028 20 5 DGBDMO Cc1ccc([N+](=O)[O-])cc1[C@H](C)[N@H+]1CC[C@@H]([C@@H]2CCOC2)C1 ZINC000378493781 434200826 /nfs/dbraw/zinc/20/08/26/434200826.db2.gz IXWYQNQJROIVPV-RRFJBIMHSA-N 1 1 304.390 3.323 20 5 DGBDMO COC[C@@H]1CCCC[N@@H+](Cc2cc([N+](=O)[O-])ccc2Cl)C1 ZINC000364146765 434246125 /nfs/dbraw/zinc/24/61/25/434246125.db2.gz GJEUGPHCPYBGPO-GFCCVEGCSA-N 1 1 312.797 3.497 20 5 DGBDMO CC(C)[N@@H+](C)C[C@H](C)Nc1ccnc2c1cccc2[N+](=O)[O-] ZINC000320123297 434231577 /nfs/dbraw/zinc/23/15/77/434231577.db2.gz JFOXOWKPLXZKQT-LBPRGKRZSA-N 1 1 302.378 3.284 20 5 DGBDMO CCOc1ccc([N+](=O)[O-])cc1C[N@H+]1CCCC[C@@H](COC)C1 ZINC000364125940 434238300 /nfs/dbraw/zinc/23/83/00/434238300.db2.gz KJWHJIVXOPKFTL-CQSZACIVSA-N 1 1 322.405 3.242 20 5 DGBDMO CC1(C)C[C@@H](O)CC[N@H+](Cc2ccc(Cl)c([N+](=O)[O-])c2)C1 ZINC000295346097 434320542 /nfs/dbraw/zinc/32/05/42/434320542.db2.gz YOLMYUHTTYCOII-LBPRGKRZSA-N 1 1 312.797 3.231 20 5 DGBDMO CC1(C)C[C@@H](O)CC[N@@H+](Cc2ccc(Cl)c([N+](=O)[O-])c2)C1 ZINC000295346097 434320556 /nfs/dbraw/zinc/32/05/56/434320556.db2.gz YOLMYUHTTYCOII-LBPRGKRZSA-N 1 1 312.797 3.231 20 5 DGBDMO CCC[N@@H+](Cc1ccc(Cl)cc1[N+](=O)[O-])CC(C)(C)O ZINC000358000988 434277634 /nfs/dbraw/zinc/27/76/34/434277634.db2.gz JIDCQYSIKLJGBD-UHFFFAOYSA-N 1 1 300.786 3.231 20 5 DGBDMO C[NH+](C)[C@@H](CN[C@H]1CCCCc2ccc([N+](=O)[O-])cc21)C1CC1 ZINC000417345108 434362218 /nfs/dbraw/zinc/36/22/18/434362218.db2.gz SZXQXAMBDPGBRH-ROUUACIJSA-N 1 1 317.433 3.292 20 5 DGBDMO COc1ccc(C[NH+]2CCC(C(F)F)CC2)cc1[N+](=O)[O-] ZINC000353709908 434355666 /nfs/dbraw/zinc/35/56/66/434355666.db2.gz SQMZEQPOTPIPQR-UHFFFAOYSA-N 1 1 300.305 3.081 20 5 DGBDMO Cc1ccc(C[N@@H+]2CCCCC[C@H]2C[C@H](C)O)cc1[N+](=O)[O-] ZINC000348550217 434392554 /nfs/dbraw/zinc/39/25/54/434392554.db2.gz SNIPWOQZONHTEB-HOCLYGCPSA-N 1 1 306.406 3.419 20 5 DGBDMO COc1cc([N+](=O)[O-])ccc1C[N@@H+]1CCC[C@@H]1c1cccn1C ZINC000366616096 434461831 /nfs/dbraw/zinc/46/18/31/434461831.db2.gz CLKZZROGLDAWTN-MRXNPFEDSA-N 1 1 315.373 3.279 20 5 DGBDMO COc1cc([N+](=O)[O-])ccc1C[N@H+]1CCC[C@@H]1c1cccn1C ZINC000366616096 434461844 /nfs/dbraw/zinc/46/18/44/434461844.db2.gz CLKZZROGLDAWTN-MRXNPFEDSA-N 1 1 315.373 3.279 20 5 DGBDMO Cc1ccc([N+](=O)[O-])cc1[C@H](C)[N@H+]1CC[C@H](O)CC(C)(C)C1 ZINC000296037379 434488100 /nfs/dbraw/zinc/48/81/00/434488100.db2.gz MUWOYRWCLZYBQI-ZFWWWQNUSA-N 1 1 306.406 3.447 20 5 DGBDMO C[C@@H]1Cc2[nH+]cn(Cc3c(F)cccc3[N+](=O)[O-])c2C[C@H]1C ZINC000451000376 434524936 /nfs/dbraw/zinc/52/49/36/434524936.db2.gz PFUDZMIGBYIUBS-GHMZBOCLSA-N 1 1 303.337 3.350 20 5 DGBDMO CCO[C@H]1C[C@@H]([N@@H+](C)CCc2ccc([N+](=O)[O-])cc2)C1(C)C ZINC000525408838 295014302 /nfs/dbraw/zinc/01/43/02/295014302.db2.gz KWNCRKLZTRUXPC-CVEARBPZSA-N 1 1 306.406 3.273 20 5 DGBDMO COc1cc(C[N@H+]2C[C@H](C)[C@@H](C)[C@H]2C)c([N+](=O)[O-])cc1OC ZINC000418111647 434589425 /nfs/dbraw/zinc/58/94/25/434589425.db2.gz AEONYIMINBFNKC-QJPTWQEYSA-N 1 1 308.378 3.088 20 5 DGBDMO CCOc1ccc([C@H](C)N[C@H]2CC[N@@H+](C)[C@@H](C)C2)cc1[N+](=O)[O-] ZINC000349245961 434650235 /nfs/dbraw/zinc/65/02/35/434650235.db2.gz IWYOEKGWFSDMCY-YDHLFZDLSA-N 1 1 321.421 3.127 20 5 DGBDMO CCOc1ccc([C@H](C)[NH2+][C@H]2CCN(C)[C@@H](C)C2)cc1[N+](=O)[O-] ZINC000349245961 434650239 /nfs/dbraw/zinc/65/02/39/434650239.db2.gz IWYOEKGWFSDMCY-YDHLFZDLSA-N 1 1 321.421 3.127 20 5 DGBDMO Cn1cnc([N+](=O)[O-])c1C[N@@H+](C)[C@H]1CCC[C@@H]1c1ccccc1 ZINC000459681456 434661359 /nfs/dbraw/zinc/66/13/59/434661359.db2.gz XDLOYPMBSIIQLP-CABCVRRESA-N 1 1 314.389 3.096 20 5 DGBDMO Cc1ccc([N+](=O)[O-])c(NCC(C)(C)[N@H+]2CCC[C@H](C)C2)n1 ZINC000360684954 434668170 /nfs/dbraw/zinc/66/81/70/434668170.db2.gz IIGCNOYYFSTSMI-LBPRGKRZSA-N 1 1 306.410 3.221 20 5 DGBDMO CC[N@H+]1CC[C@H](N(C)Cc2c(F)cccc2[N+](=O)[O-])C[C@H]1C ZINC000354209180 434672584 /nfs/dbraw/zinc/67/25/84/434672584.db2.gz QKLQGUPHZSMKGD-OLZOCXBDSA-N 1 1 309.385 3.039 20 5 DGBDMO CC(C)OCCC[N@@H+](C)Cc1ccc(Cl)cc1[N+](=O)[O-] ZINC000354218987 434674735 /nfs/dbraw/zinc/67/47/35/434674735.db2.gz CGLFAYHTWCNSAC-UHFFFAOYSA-N 1 1 300.786 3.495 20 5 DGBDMO C/C(=C/c1cccc([N+](=O)[O-])c1)C[N@@H+](C)CCCn1ccnc1 ZINC000349383878 434699953 /nfs/dbraw/zinc/69/99/53/434699953.db2.gz MSRVHJAWZLHYAT-PTNGSMBKSA-N 1 1 314.389 3.217 20 5 DGBDMO Cc1[nH+]ccn1CCCn1cc(-c2ccc([N+](=O)[O-])cc2)cn1 ZINC000354240612 434686134 /nfs/dbraw/zinc/68/61/34/434686134.db2.gz KGOVEKFPDJHBSO-UHFFFAOYSA-N 1 1 311.345 3.054 20 5 DGBDMO C[N@@H+](Cc1cc([N+](=O)[O-])cc2c1OCOC2)C1CC(C)(C)C1 ZINC000459736665 434687142 /nfs/dbraw/zinc/68/71/42/434687142.db2.gz QIGAEFKQPQXHST-UHFFFAOYSA-N 1 1 306.362 3.082 20 5 DGBDMO CCCNC(=O)C[N@@H+](CCC)[C@@H](C)c1cc([N+](=O)[O-])ccc1C ZINC000411178745 434739374 /nfs/dbraw/zinc/73/93/74/434739374.db2.gz JZEUVEQPHKIQBL-AWEZNQCLSA-N 1 1 321.421 3.202 20 5 DGBDMO C[C@@H]1C[N@@H+](C)[C@@H](C)CN1c1ccc([N+](=O)[O-])c(OC(C)(C)C)c1 ZINC000443504670 434778271 /nfs/dbraw/zinc/77/82/71/434778271.db2.gz YQZYBNAZEUDDTE-QWHCGFSZSA-N 1 1 321.421 3.301 20 5 DGBDMO CC(C)c1ccc(CN2CC[N@@H+](C)[C@@H](C)[C@@H]2C)cc1[N+](=O)[O-] ZINC000361168355 434820345 /nfs/dbraw/zinc/82/03/45/434820345.db2.gz SISGJSIQKRZVNE-KBPBESRZSA-N 1 1 305.422 3.243 20 5 DGBDMO CCC[C@H]([NH2+]Cc1ccnc(OC)n1)c1cccc([N+](=O)[O-])c1 ZINC000453243469 434838890 /nfs/dbraw/zinc/83/88/90/434838890.db2.gz GDILILZDEKZBJR-HNNXBMFYSA-N 1 1 316.361 3.024 20 5 DGBDMO CC[N@H+]1CC[C@@H](N(C)c2cc(C)c([N+](=O)[O-])cc2F)C[C@@H]1C ZINC000461947801 434893303 /nfs/dbraw/zinc/89/33/03/434893303.db2.gz KXVRJYRMHXXZGY-QWHCGFSZSA-N 1 1 309.385 3.351 20 5 DGBDMO O=[N+]([O-])c1cccc(Cl)c1C[N@@H+]1CCC[C@@H](c2ncc[nH]2)C1 ZINC000492068357 434909430 /nfs/dbraw/zinc/90/94/30/434909430.db2.gz ZQAOATSXMLNYCA-LLVKDONJSA-N 1 1 320.780 3.351 20 5 DGBDMO O=[N+]([O-])c1cccc(Cl)c1C[N@H+]1CCC[C@@H](c2ncc[nH]2)C1 ZINC000492068357 434909433 /nfs/dbraw/zinc/90/94/33/434909433.db2.gz ZQAOATSXMLNYCA-LLVKDONJSA-N 1 1 320.780 3.351 20 5 DGBDMO CCCC[N@@H+](C)C[C@H](C)Nc1ccc(C(C)=O)cc1[N+](=O)[O-] ZINC000573009680 434868570 /nfs/dbraw/zinc/86/85/70/434868570.db2.gz QFEHOEWEKYCGGB-LBPRGKRZSA-N 1 1 307.394 3.330 20 5 DGBDMO CCCC[N@H+]1CCCC[C@H]1CNc1ncc(C)cc1[N+](=O)[O-] ZINC000463055606 434940725 /nfs/dbraw/zinc/94/07/25/434940725.db2.gz UWEMOZXTDSIREO-AWEZNQCLSA-N 1 1 306.410 3.365 20 5 DGBDMO O=[N+]([O-])c1cccc2c1CC[C@H]2[N@H+]1CCC[C@]2(CCOC2)C1 ZINC000573815502 434928465 /nfs/dbraw/zinc/92/84/65/434928465.db2.gz RKTHXDRICYAUJO-WBVHZDCISA-N 1 1 302.374 3.085 20 5 DGBDMO CCC[C@]1(C)CCC[N@H+](CC(=O)Nc2ccccc2[N+](=O)[O-])C1 ZINC000464845350 435006270 /nfs/dbraw/zinc/00/62/70/435006270.db2.gz FDJVDTUJTKUXBY-QGZVFWFLSA-N 1 1 319.405 3.436 20 5 DGBDMO CCC[C@]1(C)CCC[N@@H+](CC(=O)Nc2ccccc2[N+](=O)[O-])C1 ZINC000464845350 435006272 /nfs/dbraw/zinc/00/62/72/435006272.db2.gz FDJVDTUJTKUXBY-QGZVFWFLSA-N 1 1 319.405 3.436 20 5 DGBDMO C[C@@H]1CC[N@H+](CCN[C@H]2CC(C)(C)c3ccc([N+](=O)[O-])cc32)C1 ZINC000578301195 435073403 /nfs/dbraw/zinc/07/34/03/435073403.db2.gz LHUWOAHANUNIMT-DYVFJYSZSA-N 1 1 317.433 3.249 20 5 DGBDMO C[C@@H]1CC[N@@H+](CCN[C@H]2CC(C)(C)c3ccc([N+](=O)[O-])cc32)C1 ZINC000578301195 435073406 /nfs/dbraw/zinc/07/34/06/435073406.db2.gz LHUWOAHANUNIMT-DYVFJYSZSA-N 1 1 317.433 3.249 20 5 DGBDMO O=[N+]([O-])c1ccc([C@H]2CCC[N@H+](Cc3ccc(CO)o3)C2)cc1 ZINC000578843920 435112941 /nfs/dbraw/zinc/11/29/41/435112941.db2.gz RPYQWFNZNXLYNK-AWEZNQCLSA-N 1 1 316.357 3.060 20 5 DGBDMO CC(C)C[C@@H](CO)[N@H+](C)Cc1c(Cl)cccc1[N+](=O)[O-] ZINC000494701819 435197700 /nfs/dbraw/zinc/19/77/00/435197700.db2.gz FZQMRHUVGNUMGS-NSHDSACASA-N 1 1 300.786 3.087 20 5 DGBDMO CC(C)C[C@@H](CO)[N@@H+](C)Cc1c(Cl)cccc1[N+](=O)[O-] ZINC000494701819 435197705 /nfs/dbraw/zinc/19/77/05/435197705.db2.gz FZQMRHUVGNUMGS-NSHDSACASA-N 1 1 300.786 3.087 20 5 DGBDMO CCCC[C@@H](C)[N@@H+](C)Cc1cc([N+](=O)[O-])cc2c1OCOC2 ZINC000562059292 435251490 /nfs/dbraw/zinc/25/14/90/435251490.db2.gz YSOUFZVRMNBKKG-GFCCVEGCSA-N 1 1 308.378 3.472 20 5 DGBDMO COc1ccc([N+](=O)[O-])c(N[C@H]2C[N@@H+](C)Cc3ccccc32)c1 ZINC000535264650 435328346 /nfs/dbraw/zinc/32/83/46/435328346.db2.gz GFRJHGSPVZSTSM-INIZCTEOSA-N 1 1 313.357 3.202 20 5 DGBDMO O=[N+]([O-])c1ccccc1/C=C\C[N@H+]1CCC[C@@H]1[C@@H]1CCCOC1 ZINC000567887391 435365617 /nfs/dbraw/zinc/36/56/17/435365617.db2.gz JJDQHORSBZNHHU-QGZWLABGSA-N 1 1 316.401 3.499 20 5 DGBDMO C[C@H]1C[C@H](C)[N@@H+](Cc2cc([N+](=O)[O-])ccc2OC(F)F)C1 ZINC000536661692 435400010 /nfs/dbraw/zinc/40/00/10/435400010.db2.gz CHKHWZLIBYVXMZ-UWVGGRQHSA-N 1 1 300.305 3.427 20 5 DGBDMO CCC(=O)c1ccc(N[C@@H]2CCC[N@@H+](C)[C@@H]2C)c([N+](=O)[O-])c1 ZINC000480104804 435366337 /nfs/dbraw/zinc/36/63/37/435366337.db2.gz AYQNHXNBXAMXHL-DGCLKSJQSA-N 1 1 305.378 3.082 20 5 DGBDMO O=[N+]([O-])c1ccccc1N1C[C@@H]2C[N@H+](Cc3ccccc3)C[C@@H]2C1 ZINC000480576755 435386872 /nfs/dbraw/zinc/38/68/72/435386872.db2.gz FWWGZVZZPMZEMD-CALCHBBNSA-N 1 1 323.396 3.163 20 5 DGBDMO COC(=O)C1([N@H+](C)Cc2ccc(C)c([N+](=O)[O-])c2)CCCCC1 ZINC000537627522 435456629 /nfs/dbraw/zinc/45/66/29/435456629.db2.gz WDWRNGQVSJMBCS-UHFFFAOYSA-N 1 1 320.389 3.211 20 5 DGBDMO COC(=O)C1([N@@H+](C)Cc2ccc(C)c([N+](=O)[O-])c2)CCCCC1 ZINC000537627522 435456632 /nfs/dbraw/zinc/45/66/32/435456632.db2.gz WDWRNGQVSJMBCS-UHFFFAOYSA-N 1 1 320.389 3.211 20 5 DGBDMO C[C@H](C[N@@H+]1CCC[C@@H](C)C1)N[C@@H]1CCc2c1cccc2[N+](=O)[O-] ZINC000569000392 435492132 /nfs/dbraw/zinc/49/21/32/435492132.db2.gz IEHFPIUDYKKNMA-CKEIUWERSA-N 1 1 317.433 3.292 20 5 DGBDMO C[C@H](C[N@H+]1CCC[C@@H](C)C1)N[C@@H]1CCc2c1cccc2[N+](=O)[O-] ZINC000569000392 435492136 /nfs/dbraw/zinc/49/21/36/435492136.db2.gz IEHFPIUDYKKNMA-CKEIUWERSA-N 1 1 317.433 3.292 20 5 DGBDMO CC[C@H]1CCC[N@@H+](CCOc2ccc(OC)cc2[N+](=O)[O-])C1 ZINC000483052463 435493524 /nfs/dbraw/zinc/49/35/24/435493524.db2.gz WEEQXTKNRUYQFM-ZDUSSCGKSA-N 1 1 308.378 3.104 20 5 DGBDMO CCCC[N@@H+](C)C[C@@H](C)Nc1ccc([N+](=O)[O-])cc1COC ZINC000569776320 435559156 /nfs/dbraw/zinc/55/91/56/435559156.db2.gz XFUWUGPFTRVPBK-CYBMUJFWSA-N 1 1 309.410 3.274 20 5 DGBDMO CC(C)CC[C@@H]1CCC[N@H+]1CC(=O)Nc1ccccc1[N+](=O)[O-] ZINC000486808329 435615249 /nfs/dbraw/zinc/61/52/49/435615249.db2.gz CLCDMRVADAPBAE-AWEZNQCLSA-N 1 1 319.405 3.434 20 5 DGBDMO CCn1cc(C[N@H+](C)[C@H](C)c2cc([N+](=O)[O-])ccc2C)cn1 ZINC000540906317 435625039 /nfs/dbraw/zinc/62/50/39/435625039.db2.gz PDWQXWMAXVRKGS-CYBMUJFWSA-N 1 1 302.378 3.313 20 5 DGBDMO CCn1cc(C[N@@H+](C)[C@H](C)c2cc([N+](=O)[O-])ccc2C)cn1 ZINC000540906317 435625041 /nfs/dbraw/zinc/62/50/41/435625041.db2.gz PDWQXWMAXVRKGS-CYBMUJFWSA-N 1 1 302.378 3.313 20 5 DGBDMO CC(C)[N@@H+](CCC(=O)Nc1ccc([N+](=O)[O-])cc1)CC1CC1 ZINC000518333889 435634007 /nfs/dbraw/zinc/63/40/07/435634007.db2.gz CLFPAIBISMJPAO-UHFFFAOYSA-N 1 1 305.378 3.044 20 5 DGBDMO Cc1cc(N2CC[N@H+]([C@@H]3C[C@H]3C)C[C@@H](C)C2)ccc1[N+](=O)[O-] ZINC000488749807 435642872 /nfs/dbraw/zinc/64/28/72/435642872.db2.gz JTNAJRZBBBNQQN-DXCKQFNASA-N 1 1 303.406 3.070 20 5 DGBDMO C[C@H](C[C@H](C)[NH3+])NCc1ccc(-c2ccc([N+](=O)[O-])cc2)o1 ZINC000519155155 435670756 /nfs/dbraw/zinc/67/07/56/435670756.db2.gz AICLJCRQGBNUMJ-NWDGAFQWSA-N 1 1 303.362 3.070 20 5 DGBDMO CCOc1cccc(N[C@H]2C[C@@H](C)[N@H+](C3CC3)C2)c1[N+](=O)[O-] ZINC000571218327 435688191 /nfs/dbraw/zinc/68/81/91/435688191.db2.gz NFXDHOHPHLUWMK-NEPJUHHUSA-N 1 1 305.378 3.031 20 5 DGBDMO COc1ccc(C[N@@H+](C)CCc2cccc([N+](=O)[O-])c2)cc1 ZINC000549166972 435743579 /nfs/dbraw/zinc/74/35/79/435743579.db2.gz BSWLCOJQEZDHJP-UHFFFAOYSA-N 1 1 300.358 3.278 20 5 DGBDMO CCCC[N@@H+](C)C[C@H](C)Nc1cc(OC)c([N+](=O)[O-])cc1F ZINC000519792774 435709612 /nfs/dbraw/zinc/70/96/12/435709612.db2.gz PYEARQDYIDODGQ-NSHDSACASA-N 1 1 313.373 3.275 20 5 DGBDMO CC(C)[C@H]1C[N@H+](Cc2ccc([N+](=O)[O-])cc2Cl)CCCO1 ZINC000572784715 435868308 /nfs/dbraw/zinc/86/83/08/435868308.db2.gz MLYSIKVNSSVJNZ-OAHLLOKOSA-N 1 1 312.797 3.495 20 5 DGBDMO CC(C)[C@H]1C[N@@H+](Cc2ccc([N+](=O)[O-])cc2Cl)CCCO1 ZINC000572784715 435868313 /nfs/dbraw/zinc/86/83/13/435868313.db2.gz MLYSIKVNSSVJNZ-OAHLLOKOSA-N 1 1 312.797 3.495 20 5 DGBDMO C[N@H+]1CCN(Cc2cccc([N+](=O)[O-])c2)C2(CCCCC2)C1 ZINC000530686910 313396197 /nfs/dbraw/zinc/39/61/97/313396197.db2.gz GCAMWFSRFPVCQV-UHFFFAOYSA-N 1 1 303.406 3.045 20 5 DGBDMO CCC[C@@H]1CCCC[N@H+]1CC(=O)Nc1c(C)cccc1[N+](=O)[O-] ZINC000541662600 314031229 /nfs/dbraw/zinc/03/12/29/314031229.db2.gz HTGOXEDKKVGWAJ-CQSZACIVSA-N 1 1 319.405 3.496 20 5 DGBDMO CCOc1ccc([N+](=O)[O-])cc1C[NH+]1C[C@H](C)S[C@@H](C)C1 ZINC000556837457 314779901 /nfs/dbraw/zinc/77/99/01/314779901.db2.gz WJJVWBHDFZIKOZ-RYUDHWBXSA-N 1 1 310.419 3.319 20 5 DGBDMO O=[N+]([O-])c1ccc2ccnc(NC[C@H]3CC[N@H+](C4CC4)C3)c2c1 ZINC000562721680 315047837 /nfs/dbraw/zinc/04/78/37/315047837.db2.gz RGKOSTFBOLCVDU-GFCCVEGCSA-N 1 1 312.373 3.039 20 5 DGBDMO CC(C)c1ccc(C[N@H+]2CC[C@@H]3OCC[C@@H]3C2)cc1[N+](=O)[O-] ZINC000563157504 315084237 /nfs/dbraw/zinc/08/42/37/315084237.db2.gz NBYIZTUMOCSBCG-PBHICJAKSA-N 1 1 304.390 3.329 20 5 DGBDMO Cc1ccc([N+](=O)[O-])cc1[C@H](C)[NH2+]Cc1ncccc1N(C)C ZINC000564259047 315165038 /nfs/dbraw/zinc/16/50/38/315165038.db2.gz LBZUHSCNTZKQQF-ZDUSSCGKSA-N 1 1 314.389 3.215 20 5 DGBDMO CCCC[N@@H+](C)C[C@H](C)Nc1ccc([N+](=O)[O-])cc1COC ZINC000566936745 315384480 /nfs/dbraw/zinc/38/44/80/315384480.db2.gz XFUWUGPFTRVPBK-ZDUSSCGKSA-N 1 1 309.410 3.274 20 5 DGBDMO CC[N@@H+](CCC(=O)Nc1cccc([N+](=O)[O-])c1C)C1CCCC1 ZINC000574818099 316003445 /nfs/dbraw/zinc/00/34/45/316003445.db2.gz MHJZTCWDVAAVMB-UHFFFAOYSA-N 1 1 319.405 3.496 20 5 DGBDMO Cc1ccn2cc(C[NH2+][C@@H]3CCc4c3cccc4[N+](=O)[O-])nc2c1 ZINC000576716585 316160802 /nfs/dbraw/zinc/16/08/02/316160802.db2.gz UEAXMWSWQURHPZ-MRXNPFEDSA-N 1 1 322.368 3.328 20 5 DGBDMO O=[N+]([O-])c1cccc2c1ccnc2NC[C@@H]1CC[N@H+](C2CC2)C1 ZINC000581172229 324082422 /nfs/dbraw/zinc/08/24/22/324082422.db2.gz NPPUXRCRIDWLGX-LBPRGKRZSA-N 1 1 312.373 3.039 20 5 DGBDMO C[C@@]1(CO)CCC[N@H+]1Cc1ccc(-c2ccc([N+](=O)[O-])cc2)o1 ZINC000583178477 324321465 /nfs/dbraw/zinc/32/14/65/324321465.db2.gz YCIPVHSGVOPALX-KRWDZBQOSA-N 1 1 316.357 3.202 20 5 DGBDMO O=[N+]([O-])c1ccccc1/C=C\C[N@H+]1CC[C@@H](c2cccnc2)C1 ZINC000583631534 324377699 /nfs/dbraw/zinc/37/76/99/324377699.db2.gz DIMLORWAIPOPBB-DANOYGIBSA-N 1 1 309.369 3.493 20 5 DGBDMO Cc1ccc([N+](=O)[O-])cc1NC(=O)C[N@@H+]1CC[C@@H](C)C[C@H](C)C1 ZINC000443637813 534339971 /nfs/dbraw/zinc/33/99/71/534339971.db2.gz CEFSXULYWALEBC-OLZOCXBDSA-N 1 1 319.405 3.210 20 5 DGBDMO Cc1cc[nH+]c(N[C@@H]2CCCC[C@H]2n2ccc([N+](=O)[O-])n2)c1 ZINC000331891216 534406273 /nfs/dbraw/zinc/40/62/73/534406273.db2.gz KAYQTQVGLVXNCV-CHWSQXEVSA-N 1 1 301.350 3.091 20 5 DGBDMO C/C(=C/c1cccc([N+](=O)[O-])c1)CN1CC[C@]2(CC[N@H+](C)C2)C1 ZINC000430126942 527501246 /nfs/dbraw/zinc/50/12/46/527501246.db2.gz VWNDTKKSSNRLOH-BXBOZWQASA-N 1 1 315.417 3.026 20 5 DGBDMO C/C(=C\c1cccc([N+](=O)[O-])c1)CN1CC[C@]2(CC[N@H+](C)C2)C1 ZINC000430126943 527528846 /nfs/dbraw/zinc/52/88/46/527528846.db2.gz VWNDTKKSSNRLOH-KAPURRDVSA-N 1 1 315.417 3.026 20 5 DGBDMO CC1(C)C[C@H](NCCC[NH+]2CCCC2)c2cc([N+](=O)[O-])ccc21 ZINC000433158851 527741532 /nfs/dbraw/zinc/74/15/32/527741532.db2.gz CBQNWJQIXBKXTR-KRWDZBQOSA-N 1 1 317.433 3.393 20 5 DGBDMO CC(C)[C@H]1CCC[N@H+]([C@@H](C)C(=O)Nc2ccccc2[N+](=O)[O-])C1 ZINC000444748198 527779035 /nfs/dbraw/zinc/77/90/35/527779035.db2.gz HKFAUZBUZNHMLU-KBPBESRZSA-N 1 1 319.405 3.290 20 5 DGBDMO CC(C)[C@H]1CCC[N@H+]([C@H](C)C(=O)Nc2ccc([N+](=O)[O-])cc2)C1 ZINC000444774479 527779814 /nfs/dbraw/zinc/77/98/14/527779814.db2.gz WNDHIAXAWKBLRV-KGLIPLIRSA-N 1 1 319.405 3.290 20 5 DGBDMO CC(C)[C@H]1[N@@H+](CCC(=O)Nc2ccccc2[N+](=O)[O-])CC1(C)C ZINC000431118944 527895068 /nfs/dbraw/zinc/89/50/68/527895068.db2.gz PDRJQQIRTLAQPM-MRXNPFEDSA-N 1 1 319.405 3.290 20 5 DGBDMO CC(C)[C@]1(CO)CCC[N@H+]([C@H](C)c2ccccc2[N+](=O)[O-])C1 ZINC000292966100 527993295 /nfs/dbraw/zinc/99/32/95/527993295.db2.gz GDAYVSXCZOQASA-RHSMWYFYSA-N 1 1 306.406 3.386 20 5 DGBDMO CCC[N@H+]1CC[C@@H](CNc2ccnc3c2cccc3[N+](=O)[O-])C1 ZINC000432348151 528255614 /nfs/dbraw/zinc/25/56/14/528255614.db2.gz QPWRHKWHRVBCOX-ZDUSSCGKSA-N 1 1 314.389 3.287 20 5 DGBDMO CCC[N@H+]1CC[C@H](CNc2ccnc3c2cccc3[N+](=O)[O-])C1 ZINC000432348150 528262281 /nfs/dbraw/zinc/26/22/81/528262281.db2.gz QPWRHKWHRVBCOX-CYBMUJFWSA-N 1 1 314.389 3.287 20 5 DGBDMO CC(C)[C@@H]1CCC[N@H+]([C@@H](C)C(=O)Nc2ccccc2[N+](=O)[O-])C1 ZINC000444748200 528669292 /nfs/dbraw/zinc/66/92/92/528669292.db2.gz HKFAUZBUZNHMLU-UONOGXRCSA-N 1 1 319.405 3.290 20 5 DGBDMO CCOc1cccc(NCC[N@H+]2CCC[C@H](C)C2)c1[N+](=O)[O-] ZINC000302130071 528673785 /nfs/dbraw/zinc/67/37/85/528673785.db2.gz XSQKTLCHSKLILZ-ZDUSSCGKSA-N 1 1 307.394 3.137 20 5 DGBDMO CC(C)[C@@]1(CO)CCC[N@H+]([C@H](C)c2ccccc2[N+](=O)[O-])C1 ZINC000292966097 528895696 /nfs/dbraw/zinc/89/56/96/528895696.db2.gz GDAYVSXCZOQASA-PBHICJAKSA-N 1 1 306.406 3.386 20 5 DGBDMO CC1(C)CCC[N@@H+](Cc2nc3cc([N+](=O)[O-])ccc3[nH]2)CC1 ZINC000444654435 528939111 /nfs/dbraw/zinc/93/91/11/528939111.db2.gz YYNXRVDXKHBHOX-UHFFFAOYSA-N 1 1 302.378 3.483 20 5 DGBDMO COC[C@H]1CCC[N@@H+](C/C(C)=C/c2cccc([N+](=O)[O-])c2)C1 ZINC000470171631 536521011 /nfs/dbraw/zinc/52/10/11/536521011.db2.gz MQTPJASTMXHSBC-IDJPSDCMSA-N 1 1 304.390 3.357 20 5 DGBDMO COC[C@]1(C)CC[N@@H+](C/C(C)=C\c2cccc([N+](=O)[O-])c2)C1 ZINC000449393263 536673773 /nfs/dbraw/zinc/67/37/73/536673773.db2.gz LYBGGWHJIGWYBJ-CRPZLVSXSA-N 1 1 304.390 3.357 20 5 DGBDMO CO[C@@H]1CC[N@@H+](C/C(C)=C/c2cccc([N+](=O)[O-])c2)C[C@H]1C ZINC000449497922 536678691 /nfs/dbraw/zinc/67/86/91/536678691.db2.gz KSJKYYZSRNAVJJ-IQRUHWCRSA-N 1 1 304.390 3.355 20 5 DGBDMO CO[C@H]1CC[N@H+](Cc2ccc(Cl)cc2[N+](=O)[O-])CC1(C)C ZINC000451550370 536750741 /nfs/dbraw/zinc/75/07/41/536750741.db2.gz IXTPTMGKQISQEI-AWEZNQCLSA-N 1 1 312.797 3.495 20 5 DGBDMO CO[C@H]1CC[N@@H+](Cc2ccc(Cl)cc2[N+](=O)[O-])CC1(C)C ZINC000451550370 536750747 /nfs/dbraw/zinc/75/07/47/536750747.db2.gz IXTPTMGKQISQEI-AWEZNQCLSA-N 1 1 312.797 3.495 20 5 DGBDMO O=[N+]([O-])c1ccc2nc(N[C@@H]3CC[N@H+]4CCCC[C@@H]34)sc2c1 ZINC000731206708 574545259 /nfs/dbraw/zinc/54/52/59/574545259.db2.gz POMVKBXTSJJCRY-YPMHNXCESA-N 1 1 318.402 3.243 20 5 DGBDMO CC[C@H](Cc1ccc(C)cc1)[N@@H+](CC)Cn1cc([N+](=O)[O-])cn1 ZINC000742178532 574983785 /nfs/dbraw/zinc/98/37/85/574983785.db2.gz WKFSBEXFBIBAIK-MRXNPFEDSA-N 1 1 316.405 3.400 20 5 DGBDMO C[C@H]1CCC[N@H+]1CCNc1ccc([N+](=O)[O-])c2cnccc12 ZINC000742426613 574999256 /nfs/dbraw/zinc/99/92/56/574999256.db2.gz YZEQWESHYPWJGX-LBPRGKRZSA-N 1 1 300.362 3.039 20 5 DGBDMO CC(C)(C)C[N@@H+](Cc1ccccc1)Cn1cc([N+](=O)[O-])cn1 ZINC000728903116 575193197 /nfs/dbraw/zinc/19/31/97/575193197.db2.gz JSMXXRNFNIAUPV-UHFFFAOYSA-N 1 1 302.378 3.297 20 5 DGBDMO CC(C)(C)C[N@H+](Cc1ccccc1)Cn1cc([N+](=O)[O-])cn1 ZINC000728903116 575193199 /nfs/dbraw/zinc/19/31/99/575193199.db2.gz JSMXXRNFNIAUPV-UHFFFAOYSA-N 1 1 302.378 3.297 20 5 DGBDMO CC[C@H]1C[N@H+](Cn2cc([N+](=O)[O-])cn2)CC[C@H]1c1ccccc1 ZINC000746382396 575449556 /nfs/dbraw/zinc/44/95/56/575449556.db2.gz MRWCEXAJVGLAGC-WMLDXEAASA-N 1 1 314.389 3.265 20 5 DGBDMO CC[C@H]1C[N@@H+](Cn2cc([N+](=O)[O-])cn2)CC[C@H]1c1ccccc1 ZINC000746382396 575449561 /nfs/dbraw/zinc/44/95/61/575449561.db2.gz MRWCEXAJVGLAGC-WMLDXEAASA-N 1 1 314.389 3.265 20 5 DGBDMO O=[N+]([O-])c1ccc(Cl)cc1C[NH+]1CCC(n2cccn2)CC1 ZINC000746665624 575467735 /nfs/dbraw/zinc/46/77/35/575467735.db2.gz FPTXFPUWXBRDBK-UHFFFAOYSA-N 1 1 320.780 3.282 20 5 DGBDMO O=[N+]([O-])c1cccc([C@@H](O)C[N@@H+]2CC[C@H]2c2cccc(F)c2)c1 ZINC000750072782 575702331 /nfs/dbraw/zinc/70/23/31/575702331.db2.gz QYMSIMSAFFKGNB-IRXDYDNUSA-N 1 1 316.332 3.214 20 5 DGBDMO O=[N+]([O-])c1cccc([C@@H](O)C[N@H+]2CC[C@H]2c2cccc(F)c2)c1 ZINC000750072782 575702333 /nfs/dbraw/zinc/70/23/33/575702333.db2.gz QYMSIMSAFFKGNB-IRXDYDNUSA-N 1 1 316.332 3.214 20 5 DGBDMO O=[N+]([O-])c1cccc([C@H](O)C[N@@H+](CCC2CC2)CC2CC2)c1 ZINC000852717087 620642529 /nfs/dbraw/zinc/64/25/29/620642529.db2.gz CUMQGVMFYJFZTH-QGZVFWFLSA-N 1 1 304.390 3.140 20 5 DGBDMO c1ccc2c(c1)cc1ccccc1c2C[N@@H+]1CCOC2(CNC2)C1 ZINC000853249286 620681909 /nfs/dbraw/zinc/68/19/09/620681909.db2.gz PBAPRPCUQBJYKN-UHFFFAOYSA-N 1 1 318.420 3.167 20 5 DGBDMO c1ccc2c(c1)cc1ccccc1c2C[N@H+]1CCOC2(CNC2)C1 ZINC000853249286 620681911 /nfs/dbraw/zinc/68/19/11/620681911.db2.gz PBAPRPCUQBJYKN-UHFFFAOYSA-N 1 1 318.420 3.167 20 5 DGBDMO CC(C)[N@H+]1CCC[C@H]1c1nc(-c2ccc([N+](=O)[O-])cc2)no1 ZINC000923760480 620734842 /nfs/dbraw/zinc/73/48/42/620734842.db2.gz SMDOJUSHFGOHIY-ZDUSSCGKSA-N 1 1 302.334 3.190 20 5 DGBDMO C[N@@H+](Cc1ccccc1[N+](=O)[O-])C[C@@H]1C[C@@]1(C)Br ZINC000891620470 617854394 /nfs/dbraw/zinc/85/43/94/617854394.db2.gz APJHENUBDJAWLQ-WCQYABFASA-N 1 1 313.195 3.200 20 5 DGBDMO C[N@H+](Cc1ccccc1[N+](=O)[O-])C[C@@H]1C[C@@]1(C)Br ZINC000891620470 617854400 /nfs/dbraw/zinc/85/44/00/617854400.db2.gz APJHENUBDJAWLQ-WCQYABFASA-N 1 1 313.195 3.200 20 5 DGBDMO COc1c(O)ccc(C[NH2+]Cc2ccc(F)c(C)c2)c1[N+](=O)[O-] ZINC000892485653 618079324 /nfs/dbraw/zinc/07/93/24/618079324.db2.gz LDFOITVNIKXGJO-UHFFFAOYSA-N 1 1 320.320 3.046 20 5 DGBDMO CCC[N@H+]1CC[C@@H](CNCc2ccc(Cl)cc2[N+](=O)[O-])C1 ZINC000892668847 618131435 /nfs/dbraw/zinc/13/14/35/618131435.db2.gz RJGHMMKGSNUCFJ-LBPRGKRZSA-N 1 1 311.813 3.070 20 5 DGBDMO COc1c(O)ccc(C[NH2+]Cc2c(C)cccc2F)c1[N+](=O)[O-] ZINC000893085961 618419635 /nfs/dbraw/zinc/41/96/35/618419635.db2.gz JIDWAMBJMPJTNN-UHFFFAOYSA-N 1 1 320.320 3.046 20 5 DGBDMO Cc1cc(NCc2cc(N(C)C)cc[nH+]2)c(F)cc1[N+](=O)[O-] ZINC000895471613 618790159 /nfs/dbraw/zinc/79/01/59/618790159.db2.gz UPGMLBLYNBEGLN-UHFFFAOYSA-N 1 1 304.325 3.115 20 5 DGBDMO C[C@@H]1CC[N@H+](Cc2ccc(C(F)(F)F)cc2[N+](=O)[O-])CCO1 ZINC000896580792 618930152 /nfs/dbraw/zinc/93/01/52/618930152.db2.gz WAKNLGHHQDVTQD-SNVBAGLBSA-N 1 1 318.295 3.224 20 5 DGBDMO C[C@@H]1CC[N@@H+](Cc2ccc(C(F)(F)F)cc2[N+](=O)[O-])CCO1 ZINC000896580792 618930154 /nfs/dbraw/zinc/93/01/54/618930154.db2.gz WAKNLGHHQDVTQD-SNVBAGLBSA-N 1 1 318.295 3.224 20 5 DGBDMO CCC[N@@H+](CC)C[C@@H](C)NC(=O)c1c(C)c(C)ccc1[N+](=O)[O-] ZINC000897805030 619184221 /nfs/dbraw/zinc/18/42/21/619184221.db2.gz DGGJIRUJSJSQHP-CYBMUJFWSA-N 1 1 321.421 3.062 20 5 DGBDMO Cc1ccc([N+](=O)[O-])cc1[C@H](C)[NH2+][C@@H](c1nncn1C)C(C)C ZINC000903060931 619708217 /nfs/dbraw/zinc/70/82/17/619708217.db2.gz IKXAGMHFUPSAEK-SWLSCSKDSA-N 1 1 317.393 3.080 20 5 DGBDMO COc1cc([C@@H](C)NC[C@@H]2CC[N@@H+]2C(C)(C)C)cc([N+](=O)[O-])c1 ZINC000903196320 619734497 /nfs/dbraw/zinc/73/44/97/619734497.db2.gz MIXTZBCWUGQSNE-OCCSQVGLSA-N 1 1 321.421 3.127 20 5 DGBDMO COc1cc([C@@H](C)NC[C@@H]2CC[N@H+]2C(C)(C)C)cc([N+](=O)[O-])c1 ZINC000903196320 619734498 /nfs/dbraw/zinc/73/44/98/619734498.db2.gz MIXTZBCWUGQSNE-OCCSQVGLSA-N 1 1 321.421 3.127 20 5 DGBDMO COc1cc([C@@H](C)N[C@H]2CC[N@H+](C(C)(C)C)C2)cc([N+](=O)[O-])c1 ZINC000903199625 619734859 /nfs/dbraw/zinc/73/48/59/619734859.db2.gz KWYPVUMHBLGKFR-OCCSQVGLSA-N 1 1 321.421 3.127 20 5 DGBDMO COc1cc([C@@H](C)[NH2+][C@H]2CCN(C(C)(C)C)C2)cc([N+](=O)[O-])c1 ZINC000903199625 619734861 /nfs/dbraw/zinc/73/48/61/619734861.db2.gz KWYPVUMHBLGKFR-OCCSQVGLSA-N 1 1 321.421 3.127 20 5 DGBDMO COc1cc([C@H](C)[NH2+][C@@H](C)c2nccnc2C)cc([N+](=O)[O-])c1 ZINC000903216757 619740314 /nfs/dbraw/zinc/74/03/14/619740314.db2.gz HXUCNIBVPURUCZ-JQWIXIFHSA-N 1 1 316.361 3.114 20 5 DGBDMO CC(C)N(Cc1ccc([N+](=O)[O-])cc1)C[C@@H]1CCCC[NH2+]C1 ZINC000903727504 619804772 /nfs/dbraw/zinc/80/47/72/619804772.db2.gz TZWCINJQDUUAJX-MRXNPFEDSA-N 1 1 305.422 3.195 20 5 DGBDMO Cc1cccc([C@@H](O)C[N@H+](C)Cc2ccccc2[N+](=O)[O-])c1 ZINC000905908040 620039961 /nfs/dbraw/zinc/03/99/61/620039961.db2.gz YBJWBAKGBCBCGH-KRWDZBQOSA-N 1 1 300.358 3.069 20 5 DGBDMO Cc1nn(C[N@@H+]2CC[C@H](C)[C@H]3CCCC[C@@H]32)c(C)c1[N+](=O)[O-] ZINC000915207795 620573822 /nfs/dbraw/zinc/57/38/22/620573822.db2.gz CCMOHICJNZBNCT-GLQYFDAESA-N 1 1 306.410 3.266 20 5 DGBDMO CC(C)(C)C[N@@H+](CCCO)Cc1ccc(Cl)c([N+](=O)[O-])c1 ZINC000153858535 620618218 /nfs/dbraw/zinc/61/82/18/620618218.db2.gz CKUGQZUGOQZNHE-UHFFFAOYSA-N 1 1 314.813 3.479 20 5 DGBDMO O=C1CCCC12CC[NH+](Cc1ccc([N+](=O)[O-])c(F)c1)CC2 ZINC000852630503 620635435 /nfs/dbraw/zinc/63/54/35/620635435.db2.gz FWFMLGJKZIZLMP-UHFFFAOYSA-N 1 1 306.337 3.069 20 5 DGBDMO O=[N+]([O-])c1cc(C[N@H+]2CCC[C@@](O)(c3ccccc3)C2)cs1 ZINC000859584515 621295266 /nfs/dbraw/zinc/29/52/66/621295266.db2.gz UQYCMEAPOYERDM-INIZCTEOSA-N 1 1 318.398 3.140 20 5 DGBDMO O=[N+]([O-])c1cc(C[N@@H+]2CCC[C@@](O)(c3ccccc3)C2)cs1 ZINC000859584515 621295269 /nfs/dbraw/zinc/29/52/69/621295269.db2.gz UQYCMEAPOYERDM-INIZCTEOSA-N 1 1 318.398 3.140 20 5 DGBDMO C/C=C/C[C@@H]1CCC[N@@H+](C[C@H](O)c2cccc([N+](=O)[O-])c2)C1 ZINC000860182728 621378337 /nfs/dbraw/zinc/37/83/37/621378337.db2.gz BRJZIUBQKRAVMV-YXQAPJRESA-N 1 1 304.390 3.306 20 5 DGBDMO CCC[N@@H+](CC(=O)Nc1cc(Cl)ccc1[N+](=O)[O-])C1CC1 ZINC000839479284 621379400 /nfs/dbraw/zinc/37/94/00/621379400.db2.gz IKBNAGHJGQKGNV-UHFFFAOYSA-N 1 1 311.769 3.061 20 5 DGBDMO CC(C)[C@@H]1CC[N@@H+](Cn2cc(-c3ccc([N+](=O)[O-])cc3)cn2)C1 ZINC000755920940 621603288 /nfs/dbraw/zinc/60/32/88/621603288.db2.gz NDVNDZDBGHRNEG-OAHLLOKOSA-N 1 1 314.389 3.394 20 5 DGBDMO Cc1cc(N2CC[C@H](c3[nH+]ccn3C)C2)c(Cl)cc1[N+](=O)[O-] ZINC000755922363 621603848 /nfs/dbraw/zinc/60/38/48/621603848.db2.gz YTERPLRWGMQZHI-NSHDSACASA-N 1 1 320.780 3.284 20 5 DGBDMO NC(CC1CC1)=[NH+]OCc1coc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000760363047 621936009 /nfs/dbraw/zinc/93/60/09/621936009.db2.gz YFOZNWQMYGODLN-UHFFFAOYSA-N 1 1 316.317 3.048 20 5 DGBDMO O=[N+]([O-])c1ccc(N[C@@H]2CCC[N@H+](CCF)C2)c(C(F)F)c1 ZINC000865928064 622021813 /nfs/dbraw/zinc/02/18/13/622021813.db2.gz PHAOLVZUOCHHNM-SNVBAGLBSA-N 1 1 317.311 3.378 20 5 DGBDMO O=[N+]([O-])c1ccc(N[C@@H]2CCC[N@@H+](CCF)C2)c(C(F)F)c1 ZINC000865928064 622021816 /nfs/dbraw/zinc/02/18/16/622021816.db2.gz PHAOLVZUOCHHNM-SNVBAGLBSA-N 1 1 317.311 3.378 20 5 DGBDMO CO[C@H]1CC[C@H](C)N(c2cc[nH+]c3ccc([N+](=O)[O-])cc32)C1 ZINC000866073609 622041991 /nfs/dbraw/zinc/04/19/91/622041991.db2.gz QPORGWSLXRKJQN-AAEUAGOBSA-N 1 1 301.346 3.147 20 5 DGBDMO C[N@H+]1CCN(c2ccc3cc([N+](=O)[O-])ccc3n2)CCC1(C)C ZINC000866115249 622048153 /nfs/dbraw/zinc/04/81/53/622048153.db2.gz YFHRGTZFWLZDQX-UHFFFAOYSA-N 1 1 314.389 3.064 20 5 DGBDMO Cc1nn(C[N@H+]2CCS[C@@H](C)[C@@H]2C)c2ccc([N+](=O)[O-])cc12 ZINC000765002492 622239141 /nfs/dbraw/zinc/23/91/41/622239141.db2.gz OPAJJIJNAFPBGW-RYUDHWBXSA-N 1 1 320.418 3.036 20 5 DGBDMO Cc1nn(C[N@@H+]2CCS[C@@H](C)[C@@H]2C)c2ccc([N+](=O)[O-])cc12 ZINC000765002492 622239142 /nfs/dbraw/zinc/23/91/42/622239142.db2.gz OPAJJIJNAFPBGW-RYUDHWBXSA-N 1 1 320.418 3.036 20 5 DGBDMO Cc1ccc([N+](=O)[O-])cc1[C@H](C)NC[C@H](C)[NH+]1CCCCC1 ZINC000765257472 622254481 /nfs/dbraw/zinc/25/44/81/622254481.db2.gz YKDKLRAQQKSICG-GJZGRUSLSA-N 1 1 305.422 3.428 20 5 DGBDMO Cc1nn(C[N@@H+]2CC[C@@H](C)[C@H](C)C2)c2cc([N+](=O)[O-])ccc12 ZINC000766376341 622325070 /nfs/dbraw/zinc/32/50/70/622325070.db2.gz ZMOAVYCHUGYWKX-VXGBXAGGSA-N 1 1 302.378 3.188 20 5 DGBDMO CSC[C@H]1CCC[N@H+]1Cn1nc(C)c2cc([N+](=O)[O-])ccc21 ZINC000767772852 622421355 /nfs/dbraw/zinc/42/13/55/622421355.db2.gz ALBVKXKUGJPZJI-CYBMUJFWSA-N 1 1 320.418 3.038 20 5 DGBDMO COC[C@H]1CCCC[N@@H+](Cc2cc(Cl)ccc2[N+](=O)[O-])C1 ZINC000767940222 622429557 /nfs/dbraw/zinc/42/95/57/622429557.db2.gz ITICEALSPIYHGD-LBPRGKRZSA-N 1 1 312.797 3.497 20 5 DGBDMO CCCC[N@@H+](CCOC)Cc1ccc(Cl)c([N+](=O)[O-])c1 ZINC000768541610 622463454 /nfs/dbraw/zinc/46/34/54/622463454.db2.gz JHKUTTLJTJSIGF-UHFFFAOYSA-N 1 1 300.786 3.497 20 5 DGBDMO COCC[N@@H+](CCO)Cc1c2ccccc2cc2ccccc21 ZINC000769312364 622516577 /nfs/dbraw/zinc/51/65/77/622516577.db2.gz LLXOEBVYEAIZJV-UHFFFAOYSA-N 1 1 309.409 3.434 20 5 DGBDMO Cc1ccc(F)c(C[N@@H+](C)C[C@@H](O)c2ccc([N+](=O)[O-])cc2)c1 ZINC000769911166 622575101 /nfs/dbraw/zinc/57/51/01/622575101.db2.gz XCQWHISCYAXWCW-QGZVFWFLSA-N 1 1 318.348 3.208 20 5 DGBDMO C[C@H]1CC[N@@H+](Cn2ncc3ccc([N+](=O)[O-])cc32)CC12CCC2 ZINC000770671697 622660022 /nfs/dbraw/zinc/66/00/22/622660022.db2.gz UMBKDWQQLNPQPS-ZDUSSCGKSA-N 1 1 314.389 3.414 20 5 DGBDMO C[C@@H]([NH2+]Cc1ccc(N(C)C)nc1)c1c(F)cccc1[N+](=O)[O-] ZINC000872022717 622757437 /nfs/dbraw/zinc/75/74/37/622757437.db2.gz YXCFOTDLUWFWDC-LLVKDONJSA-N 1 1 318.352 3.046 20 5 DGBDMO Cc1ccsc1[C@@H](CO)[NH2+][C@H](C)c1c(F)cccc1[N+](=O)[O-] ZINC000872048226 622774291 /nfs/dbraw/zinc/77/42/91/622774291.db2.gz HNDGGZYRFICVSK-ZYHUDNBSSA-N 1 1 324.377 3.488 20 5 DGBDMO CSc1ccc([N+](=O)[O-])cc1[C@H](C)[NH2+]Cc1snnc1C ZINC000872073443 622790396 /nfs/dbraw/zinc/79/03/96/622790396.db2.gz PKUBCYWSOWPUMX-QMMMGPOBSA-N 1 1 324.431 3.327 20 5 DGBDMO CCOC(=O)C1=CC[C@H]([NH2+][C@@H](C)c2c(F)cccc2[N+](=O)[O-])C1 ZINC000872089735 622799043 /nfs/dbraw/zinc/79/90/43/622799043.db2.gz CXGYFUUPSPDPQX-JQWIXIFHSA-N 1 1 322.336 3.036 20 5 DGBDMO Cc1nccnc1[C@H](C)[NH2+][C@@H](C)c1cccc([N+](=O)[O-])c1C ZINC000872134598 622827944 /nfs/dbraw/zinc/82/79/44/622827944.db2.gz SIQXJFSFFWDLKT-AAEUAGOBSA-N 1 1 300.362 3.413 20 5 DGBDMO CC1(C)C[NH2+]CC[C@H](NCc2ccc([N+](=O)[O-])c(Cl)c2)C1 ZINC000872254279 622868166 /nfs/dbraw/zinc/86/81/66/622868166.db2.gz YJHHAFULXRSAIE-LBPRGKRZSA-N 1 1 311.813 3.116 20 5 DGBDMO Cc1nn(C[NH+]2CCC(C)(F)CC2)c2ccc([N+](=O)[O-])cc12 ZINC000872691179 622953333 /nfs/dbraw/zinc/95/33/33/622953333.db2.gz AIIVTMHZNWHCQH-UHFFFAOYSA-N 1 1 306.341 3.034 20 5 DGBDMO Cc1c(CNC[C@H]2CC[N@@H+]2C2CCCC2)cccc1[N+](=O)[O-] ZINC000873148346 623049610 /nfs/dbraw/zinc/04/96/10/623049610.db2.gz LOTSQFURCOMBJR-MRXNPFEDSA-N 1 1 303.406 3.010 20 5 DGBDMO Cc1c(CNC[C@H]2CC[N@H+]2C2CCCC2)cccc1[N+](=O)[O-] ZINC000873148346 623049617 /nfs/dbraw/zinc/04/96/17/623049617.db2.gz LOTSQFURCOMBJR-MRXNPFEDSA-N 1 1 303.406 3.010 20 5 DGBDMO CN(c1ccc([N+](=O)[O-])cc1)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000774536237 623157967 /nfs/dbraw/zinc/15/79/67/623157967.db2.gz LDLUWYRPRVJPMS-GOSISDBHSA-N 1 1 311.385 3.306 20 5 DGBDMO O=[N+]([O-])c1cc2cnn(C[NH+]3C4CCC3CC4)c2c(Cl)c1 ZINC000774636718 623168651 /nfs/dbraw/zinc/16/86/51/623168651.db2.gz XTOYRFNZJKLZAS-UHFFFAOYSA-N 1 1 306.753 3.182 20 5 DGBDMO CC[N@@H+]1CCCC[C@@H]1C(=O)O[C@@H](C)c1ccccc1[N+](=O)[O-] ZINC000124743207 623222538 /nfs/dbraw/zinc/22/25/38/623222538.db2.gz OBNHNMBDTJGVBD-SWLSCSKDSA-N 1 1 306.362 3.073 20 5 DGBDMO CC[N@H+]1CCCC[C@@H]1C(=O)O[C@@H](C)c1ccccc1[N+](=O)[O-] ZINC000124743207 623222541 /nfs/dbraw/zinc/22/25/41/623222541.db2.gz OBNHNMBDTJGVBD-SWLSCSKDSA-N 1 1 306.362 3.073 20 5 DGBDMO O=[N+]([O-])c1ccc([C@H](O)C[N@@H+](Cc2ccccc2)C2CC2)cc1 ZINC000776279891 623407008 /nfs/dbraw/zinc/40/70/08/623407008.db2.gz YOCIXKTWQPBVBC-GOSISDBHSA-N 1 1 312.369 3.293 20 5 DGBDMO O=[N+]([O-])c1cccc(C[NH2+]Cc2nc3c(s2)CCCC3)c1 ZINC000776339375 623413986 /nfs/dbraw/zinc/41/39/86/623413986.db2.gz MPCQQCDNPLJIIH-UHFFFAOYSA-N 1 1 303.387 3.220 20 5 DGBDMO Cc1ccc(C[N@@H+](C)C[C@@H](O)c2ccc([N+](=O)[O-])cc2)s1 ZINC000776581614 623443257 /nfs/dbraw/zinc/44/32/57/623443257.db2.gz KXUHCNFMMYRHGD-OAHLLOKOSA-N 1 1 306.387 3.130 20 5 DGBDMO O=[N+]([O-])c1ccc([C@@H](O)C[N@H+]2CCCc3ccccc3C2)cc1 ZINC000776583242 623443331 /nfs/dbraw/zinc/44/33/31/623443331.db2.gz ZFRINFHSBFSNNS-SFHVURJKSA-N 1 1 312.369 3.077 20 5 DGBDMO O=[N+]([O-])c1ccc([C@H](O)C[N@H+]2CCC[C@]3(CC=CCC3)C2)cc1 ZINC000776584662 623443770 /nfs/dbraw/zinc/44/37/70/623443770.db2.gz OFGXZJWLHWEJBL-QZTJIDSGSA-N 1 1 316.401 3.451 20 5 DGBDMO CCSCC[C@H](C)[N@@H+](C)C[C@@H](O)c1ccc([N+](=O)[O-])cc1 ZINC000776590068 623443806 /nfs/dbraw/zinc/44/38/06/623443806.db2.gz BAYKZRFVNGSTEF-SWLSCSKDSA-N 1 1 312.435 3.092 20 5 DGBDMO Cc1[nH+]ccn1CCCCOC(=O)c1cc([N+](=O)[O-])ccc1C ZINC000778789007 623695329 /nfs/dbraw/zinc/69/53/29/623695329.db2.gz SOLIBEIDXOHDPK-UHFFFAOYSA-N 1 1 317.345 3.045 20 5 DGBDMO CC[N@@H+]1CCCC[C@H]1C(=O)O[C@H](C)c1cc([N+](=O)[O-])ccc1C ZINC000778808840 623698915 /nfs/dbraw/zinc/69/89/15/623698915.db2.gz UQUYVMGOXWYFIL-CJNGLKHVSA-N 1 1 320.389 3.382 20 5 DGBDMO CC[N@H+]1CCCC[C@H]1C(=O)O[C@H](C)c1cc([N+](=O)[O-])ccc1C ZINC000778808840 623698918 /nfs/dbraw/zinc/69/89/18/623698918.db2.gz UQUYVMGOXWYFIL-CJNGLKHVSA-N 1 1 320.389 3.382 20 5 DGBDMO Cc1ccc([N+](=O)[O-])c(C)c1C[N@H+]1CC[C@@H](C2CCOCC2)C1 ZINC000876780636 623705362 /nfs/dbraw/zinc/70/53/62/623705362.db2.gz XKHLXDMLIIMUDE-MRXNPFEDSA-N 1 1 318.417 3.460 20 5 DGBDMO Cc1ccc([N+](=O)[O-])c(C)c1C[N@H+]1CCC[C@@H]2COCC[C@@H]21 ZINC000876804736 623711017 /nfs/dbraw/zinc/71/10/17/623711017.db2.gz TYTSLYIVYVVDAY-PBHICJAKSA-N 1 1 304.390 3.213 20 5 DGBDMO O=[N+]([O-])c1cnn(C2CC(Nc3cccc4cc[nH+]cc43)C2)c1 ZINC000877161499 623812586 /nfs/dbraw/zinc/81/25/86/623812586.db2.gz MOLABWXQHGYMLM-UHFFFAOYSA-N 1 1 309.329 3.155 20 5 DGBDMO CCC[C@]1(CO)CC[N@@H+](Cc2c(C)ccc([N+](=O)[O-])c2C)C1 ZINC000877537988 623931184 /nfs/dbraw/zinc/93/11/84/623931184.db2.gz RXZZBKUKUJOZDI-KRWDZBQOSA-N 1 1 306.406 3.196 20 5 DGBDMO O=[N+]([O-])c1cc(C(F)(F)F)ccc1C[N@@H+]1C[C@H]2[C@@H](C1)C2(F)F ZINC000877615355 623963277 /nfs/dbraw/zinc/96/32/77/623963277.db2.gz PTMZTCFXTYUKCM-AOOOYVTPSA-N 1 1 322.233 3.311 20 5 DGBDMO O=[N+]([O-])c1cc(C(F)(F)F)ccc1C[N@H+]1C[C@H]2[C@@H](C1)C2(F)F ZINC000877615355 623963279 /nfs/dbraw/zinc/96/32/79/623963279.db2.gz PTMZTCFXTYUKCM-AOOOYVTPSA-N 1 1 322.233 3.311 20 5 DGBDMO CC(C)c1ccc(CN2CC[C@H]3[C@H](CC[N@H+]3C)C2)cc1[N+](=O)[O-] ZINC000877744542 624016709 /nfs/dbraw/zinc/01/67/09/624016709.db2.gz VGNXRXIQKBSHNH-WBVHZDCISA-N 1 1 317.433 3.244 20 5 DGBDMO CC(C)c1ccc(C[N@H+]2CC[C@@H](C(C)(C)O)C2)cc1[N+](=O)[O-] ZINC000877835071 624063977 /nfs/dbraw/zinc/06/39/77/624063977.db2.gz GCQCTANMBTVOMW-CQSZACIVSA-N 1 1 306.406 3.311 20 5 DGBDMO CCC[C@@H](C)[N@@H+](C)Cc1nnc(-c2ccccc2[N+](=O)[O-])o1 ZINC000877953952 624108235 /nfs/dbraw/zinc/10/82/35/624108235.db2.gz TYIXFGLHAUSVSM-LLVKDONJSA-N 1 1 304.350 3.265 20 5 DGBDMO C[C@@H]1C[N@@H+](Cn2ncc3ccc([N+](=O)[O-])cc32)[C@H]2CCCC[C@@H]12 ZINC000782278957 624232268 /nfs/dbraw/zinc/23/22/68/624232268.db2.gz ZVMASMKAWKWJTL-KCXAZCMYSA-N 1 1 314.389 3.413 20 5 DGBDMO C[C@@H]1CCCCC[N@H+]1CCC(=O)Nc1cc([N+](=O)[O-])ccc1F ZINC000782501875 624257324 /nfs/dbraw/zinc/25/73/24/624257324.db2.gz SHPMXIVYRMOBDE-GFCCVEGCSA-N 1 1 323.368 3.327 20 5 DGBDMO O=[N+]([O-])c1cccc([C@H](O)C[N@H+]2CCCC3(CCCC3)C2)c1 ZINC000782636697 624269758 /nfs/dbraw/zinc/26/97/58/624269758.db2.gz HZBCIBDCFWYYLR-MRXNPFEDSA-N 1 1 304.390 3.284 20 5 DGBDMO C[N@H+](CCc1cccc([N+](=O)[O-])c1)Cc1scnc1Cl ZINC000878566264 624309552 /nfs/dbraw/zinc/30/95/52/624309552.db2.gz XDGKNNHJGMMSQS-UHFFFAOYSA-N 1 1 311.794 3.379 20 5 DGBDMO C[N@@H+](CCc1cccc([N+](=O)[O-])c1)Cc1scnc1Cl ZINC000878566264 624309557 /nfs/dbraw/zinc/30/95/57/624309557.db2.gz XDGKNNHJGMMSQS-UHFFFAOYSA-N 1 1 311.794 3.379 20 5 DGBDMO C[C@H]1C[N@H+](Cc2nnc(-c3ccc(Cl)cc3[N+](=O)[O-])o2)[C@H]1C ZINC000878651479 624331054 /nfs/dbraw/zinc/33/10/54/624331054.db2.gz AQDSMJDLZHICST-IUCAKERBSA-N 1 1 322.752 3.138 20 5 DGBDMO C[C@H]1C[N@@H+](Cc2nnc(-c3ccc(Cl)cc3[N+](=O)[O-])o2)[C@H]1C ZINC000878651479 624331055 /nfs/dbraw/zinc/33/10/55/624331055.db2.gz AQDSMJDLZHICST-IUCAKERBSA-N 1 1 322.752 3.138 20 5 DGBDMO O=[N+]([O-])c1ccc(C[N@H+]2CCC[C@@H]3COCC[C@@H]32)cc1Cl ZINC000783569968 624367491 /nfs/dbraw/zinc/36/74/91/624367491.db2.gz DLFXWBNXQDDYLE-OCCSQVGLSA-N 1 1 310.781 3.249 20 5 DGBDMO C[N@H+]1CCCC12CCN(Cc1ccc(Cl)c([N+](=O)[O-])c1)CC2 ZINC000784252440 624465097 /nfs/dbraw/zinc/46/50/97/624465097.db2.gz SKKPZOABKXKEHH-UHFFFAOYSA-N 1 1 323.824 3.308 20 5 DGBDMO O=[N+]([O-])c1ccc(Cl)cc1C[NH2+][C@H]1CCCn2nccc21 ZINC000879786887 624677284 /nfs/dbraw/zinc/67/72/84/624677284.db2.gz PTBBSACKMHRXDQ-LBPRGKRZSA-N 1 1 306.753 3.069 20 5 DGBDMO C[C@H](OC(=O)C[NH+]1[C@H](C)CC[C@H]1C)c1cccc([N+](=O)[O-])c1 ZINC000785745402 624723224 /nfs/dbraw/zinc/72/32/24/624723224.db2.gz SXMXIIPBBFMMEB-UPJWGTAASA-N 1 1 306.362 3.072 20 5 DGBDMO O=[N+]([O-])c1ccc(C[N@H+]2CC[C@@H](c3nccs3)C2)cc1F ZINC000880319848 624916453 /nfs/dbraw/zinc/91/64/53/624916453.db2.gz LHCDNICWMFOAAI-LLVKDONJSA-N 1 1 307.350 3.180 20 5 DGBDMO C[C@H](NCC[N@@H+](C)C1CCCCC1)c1ccc(N)c([N+](=O)[O-])c1 ZINC000788562099 625216514 /nfs/dbraw/zinc/21/65/14/625216514.db2.gz FSWDVOZOIMGIOU-ZDUSSCGKSA-N 1 1 320.437 3.092 20 5 DGBDMO C[C@H]([NH2+]CCN(C)C1CCCCC1)c1ccc(N)c([N+](=O)[O-])c1 ZINC000788562099 625216525 /nfs/dbraw/zinc/21/65/25/625216525.db2.gz FSWDVOZOIMGIOU-ZDUSSCGKSA-N 1 1 320.437 3.092 20 5 DGBDMO O=[N+]([O-])c1cc(F)c(C[N@@H+]2CC[C@H](c3ccccn3)C2)c(F)c1 ZINC000796057273 626019232 /nfs/dbraw/zinc/01/92/32/626019232.db2.gz MNKFTQGGPBXGLD-NSHDSACASA-N 1 1 319.311 3.258 20 5 DGBDMO O=[N+]([O-])c1cc(F)c(C[N@H+]2CC[C@H](c3ccccn3)C2)c(F)c1 ZINC000796057273 626019235 /nfs/dbraw/zinc/01/92/35/626019235.db2.gz MNKFTQGGPBXGLD-NSHDSACASA-N 1 1 319.311 3.258 20 5 DGBDMO O=[N+]([O-])c1ccc(C[N@H+]2CC[C@@H](c3ccccn3)C2)c(F)c1 ZINC000798965515 626263957 /nfs/dbraw/zinc/26/39/57/626263957.db2.gz UCZOVAWHGNLFRG-CYBMUJFWSA-N 1 1 301.321 3.118 20 5 DGBDMO O=[N+]([O-])c1ccc(C[N@H+]2CCC[C@@H]2C2CCOCC2)cc1F ZINC000801535189 626408594 /nfs/dbraw/zinc/40/85/94/626408594.db2.gz GNEPEISTKBGXSP-OAHLLOKOSA-N 1 1 308.353 3.125 20 5 DGBDMO CC(=O)c1cc([N+](=O)[O-])ccc1NC[C@H](C)[N@H+]1CCC[C@@H](C)C1 ZINC000804349173 626672254 /nfs/dbraw/zinc/67/22/54/626672254.db2.gz JTZIGEIIYXECBY-OLZOCXBDSA-N 1 1 319.405 3.330 20 5 DGBDMO CC(=O)c1cc([N+](=O)[O-])ccc1NC[C@H]1CC[N@H+](CC(C)C)C1 ZINC000804543513 626691779 /nfs/dbraw/zinc/69/17/79/626691779.db2.gz BISLRSFBIHPNGG-CQSZACIVSA-N 1 1 319.405 3.187 20 5 DGBDMO C[C@]1(CCCO)CCC[N@H+]1Cc1ccc([N+](=O)[O-])c(Cl)c1 ZINC000809757625 626948310 /nfs/dbraw/zinc/94/83/10/626948310.db2.gz QCFLIBGIJQQEJQ-OAHLLOKOSA-N 1 1 312.797 3.375 20 5 DGBDMO C[N@H+]1CC[C@H]2[C@@H](CCCN2Cc2ccc([N+](=O)[O-])c(Cl)c2)C1 ZINC000809767513 626949143 /nfs/dbraw/zinc/94/91/43/626949143.db2.gz NDUYGPDBLGRYNB-ZFWWWQNUSA-N 1 1 323.824 3.164 20 5 DGBDMO C[C@@H]1CN(Cc2cc(Cl)cc(Cl)c2[N+](=O)[O-])CC[N@H+]1C ZINC000809968232 626963276 /nfs/dbraw/zinc/96/32/76/626963276.db2.gz RMXMJDIPOMEKJU-SECBINFHSA-N 1 1 318.204 3.038 20 5 DGBDMO COc1ccc(C[NH2+]Cc2ccccc2[N+](=O)[O-])c(F)c1OC ZINC000885924422 627061092 /nfs/dbraw/zinc/06/10/92/627061092.db2.gz QDDFPFLOQGMRLY-UHFFFAOYSA-N 1 1 320.320 3.041 20 5 DGBDMO COc1ccccc1[C@@H]1CCC[N@@H+]1Cc1cccnc1[N+](=O)[O-] ZINC000885984019 627076470 /nfs/dbraw/zinc/07/64/70/627076470.db2.gz VTTVUCRPQSGUQG-HNNXBMFYSA-N 1 1 313.357 3.336 20 5 DGBDMO COc1ccccc1[C@@H]1CCC[N@H+]1Cc1cccnc1[N+](=O)[O-] ZINC000885984019 627076472 /nfs/dbraw/zinc/07/64/72/627076472.db2.gz VTTVUCRPQSGUQG-HNNXBMFYSA-N 1 1 313.357 3.336 20 5 DGBDMO C[N@@H+](CCc1ccc(Cl)cc1)Cc1cccnc1[N+](=O)[O-] ZINC000886010413 627082942 /nfs/dbraw/zinc/08/29/42/627082942.db2.gz ITSGULXTPSFDDM-UHFFFAOYSA-N 1 1 305.765 3.318 20 5 DGBDMO CC[C@@H]([NH2+]Cc1cccnc1[N+](=O)[O-])c1ccccc1OC ZINC000886106793 627106086 /nfs/dbraw/zinc/10/60/86/627106086.db2.gz CVXIDWZZDCHABW-CQSZACIVSA-N 1 1 301.346 3.239 20 5 DGBDMO C[C@@H]([NH2+]Cc1cccnc1[N+](=O)[O-])c1cccc(OC(F)F)c1 ZINC000886107397 627106624 /nfs/dbraw/zinc/10/66/24/627106624.db2.gz QOUBSMGRZGZPPO-SNVBAGLBSA-N 1 1 323.299 3.442 20 5 DGBDMO O=[N+]([O-])c1ncccc1C[N@H+]1CC[C@]2(CCc3ccccc32)C1 ZINC000886314080 627135593 /nfs/dbraw/zinc/13/55/93/627135593.db2.gz LQQPHVRBQBNUNG-GOSISDBHSA-N 1 1 309.369 3.080 20 5 DGBDMO O=[N+]([O-])c1ccc(Cl)cc1C[N@H+]1CC[C@H]([C@H]2CCCO2)C1 ZINC000886830684 627209789 /nfs/dbraw/zinc/20/97/89/627209789.db2.gz WBSWWPXOEMLYPQ-XHDPSFHLSA-N 1 1 310.781 3.249 20 5 DGBDMO O=[N+]([O-])c1ccc(Cl)c(C[N@H+]2CC[C@H]([C@@H]3CCCO3)C2)c1 ZINC000886830913 627209797 /nfs/dbraw/zinc/20/97/97/627209797.db2.gz ZRENTOBWTZRLPA-NHYWBVRUSA-N 1 1 310.781 3.249 20 5 DGBDMO CCC[C@H](C)C(=O)O[C@H]1CC[N@H+](Cc2cccc([N+](=O)[O-])c2)C1 ZINC000813171959 627461508 /nfs/dbraw/zinc/46/15/08/627461508.db2.gz XXZMJWWHKXWLFN-BBRMVZONSA-N 1 1 320.389 3.149 20 5 DGBDMO CCC[C@H](C)C(=O)O[C@H]1CC[N@@H+](Cc2cccc([N+](=O)[O-])c2)C1 ZINC000813171959 627461510 /nfs/dbraw/zinc/46/15/10/627461510.db2.gz XXZMJWWHKXWLFN-BBRMVZONSA-N 1 1 320.389 3.149 20 5 DGBDMO CCc1nc(C)c(C[NH2+]Cc2ccc([N+](=O)[O-])c(Cl)c2)o1 ZINC000814179091 627547479 /nfs/dbraw/zinc/54/74/79/627547479.db2.gz PRBOVCANRJVKLL-UHFFFAOYSA-N 1 1 309.753 3.397 20 5 DGBDMO C[C@H](c1cccc([N+](=O)[O-])c1)[N@@H+]1CCOc2ccc(N)cc2C1 ZINC000925750325 627787834 /nfs/dbraw/zinc/78/78/34/627787834.db2.gz PWCXXVQHAOTWCE-GFCCVEGCSA-N 1 1 313.357 3.133 20 5 DGBDMO C[C@H](c1cccc([N+](=O)[O-])c1)[N@H+]1CCOc2ccc(N)cc2C1 ZINC000925750325 627787836 /nfs/dbraw/zinc/78/78/36/627787836.db2.gz PWCXXVQHAOTWCE-GFCCVEGCSA-N 1 1 313.357 3.133 20 5 DGBDMO CCCC(N)=[NH+]OCc1ccc(Br)cc1[N+](=O)[O-] ZINC000818078478 627993004 /nfs/dbraw/zinc/99/30/04/627993004.db2.gz XOJZBAUEWKQDLU-UHFFFAOYSA-N 1 1 316.155 3.156 20 5 DGBDMO C[C@H]1CC2(CN1Cc1cc(Cl)ccc1[N+](=O)[O-])CC[NH2+]CC2 ZINC000818340690 628015642 /nfs/dbraw/zinc/01/56/42/628015642.db2.gz QNQQSOMGVDLEIA-LBPRGKRZSA-N 1 1 323.824 3.212 20 5 DGBDMO C[C@@H]1[C@@H](NC(=O)c2cc3ccccc3c3cccnc23)CC[N@H+]1C ZINC000928458156 628152958 /nfs/dbraw/zinc/15/29/58/628152958.db2.gz RMPJJCIJLVTICW-ACJLOTCBSA-N 1 1 319.408 3.210 20 5 DGBDMO O=[N+]([O-])c1ccc(F)cc1C[N@@H+]1CCC=C(c2ccccn2)C1 ZINC000821331634 628357276 /nfs/dbraw/zinc/35/72/76/628357276.db2.gz BJUOWTXMLNDZBI-UHFFFAOYSA-N 1 1 313.332 3.418 20 5 DGBDMO O=[N+]([O-])c1ccc(F)cc1C[N@H+]1CCC=C(c2ccccn2)C1 ZINC000821331634 628357279 /nfs/dbraw/zinc/35/72/79/628357279.db2.gz BJUOWTXMLNDZBI-UHFFFAOYSA-N 1 1 313.332 3.418 20 5 DGBDMO C[N@@H+](Cc1ccc([N+](=O)[O-])c(F)c1)C[C@@](C)(O)c1ccccc1 ZINC000823606003 628579093 /nfs/dbraw/zinc/57/90/93/628579093.db2.gz PCYOGSBXBBJNNQ-QGZVFWFLSA-N 1 1 318.348 3.073 20 5 DGBDMO O[C@@H]1COCC[N@@H+](Cc2c3ccccc3cc3ccccc32)C1 ZINC000824620122 628677749 /nfs/dbraw/zinc/67/77/49/628677749.db2.gz CSNBLDJJEWEJGO-KRWDZBQOSA-N 1 1 307.393 3.186 20 5 DGBDMO O=[N+]([O-])c1ccc(C[N@H+]2CCC[C@]3(CCOC3)C2)cc1Cl ZINC000825133936 628731101 /nfs/dbraw/zinc/73/11/01/628731101.db2.gz QUWFXBKOGPFVMY-HNNXBMFYSA-N 1 1 310.781 3.251 20 5 DGBDMO C[C@@H](O)[C@H]([NH2+]Cc1cc(Cl)ccc1[N+](=O)[O-])c1ccccc1 ZINC000827856058 628997644 /nfs/dbraw/zinc/99/76/44/628997644.db2.gz KXJBONBWRZYGJD-BZNIZROVSA-N 1 1 320.776 3.460 20 5 DGBDMO CO[C@H]1C[C@@H]([N@@H+](C)Cc2cc(F)ccc2[N+](=O)[O-])C12CCC2 ZINC000832204873 629450227 /nfs/dbraw/zinc/45/02/27/629450227.db2.gz UHYVIGOTMGSCDY-CABCVRRESA-N 1 1 308.353 3.123 20 5 DGBDMO CC1(C)C[C@@H]([NH2+][C@H]2CCn3ccnc32)c2cc([N+](=O)[O-])ccc21 ZINC000834831154 629786586 /nfs/dbraw/zinc/78/65/86/629786586.db2.gz IHEAPSNZWIZEQK-LSDHHAIUSA-N 1 1 312.373 3.248 20 5 DGBDMO CCCC(N)=[NH+]OCc1cccc([N+](=O)[O-])c1Br ZINC000842027890 630479920 /nfs/dbraw/zinc/47/99/20/630479920.db2.gz GBFNBAZPLHZBNT-UHFFFAOYSA-N 1 1 316.155 3.156 20 5 DGBDMO O=[N+]([O-])c1ccc(Cl)cc1CN1CCC[C@H]([C@@H]2CC[NH2+]C2)C1 ZINC000843125602 630616254 /nfs/dbraw/zinc/61/62/54/630616254.db2.gz YNTZGUWENLZJOP-OLZOCXBDSA-N 1 1 323.824 3.070 20 5 DGBDMO O=[N+]([O-])c1ccc(Cl)c(CN2CCC([C@H]3CC[NH2+]C3)CC2)c1 ZINC000843127856 630617158 /nfs/dbraw/zinc/61/71/58/630617158.db2.gz UCHUIALQENCLPP-ZDUSSCGKSA-N 1 1 323.824 3.070 20 5 DGBDMO O=[N+]([O-])c1ccccc1OCC[N@H+]1CCC[C@@]2(CC2(F)F)C1 ZINC000844440162 630730333 /nfs/dbraw/zinc/73/03/33/630730333.db2.gz QSMYDDUSOLUYRB-CQSZACIVSA-N 1 1 312.316 3.095 20 5 DGBDMO O=[N+]([O-])c1ccc2cnn(C[NH+]3CCC4(CC4(F)F)CC3)c2c1 ZINC000844725139 630807453 /nfs/dbraw/zinc/80/74/53/630807453.db2.gz INUGYXQKEJLYHY-UHFFFAOYSA-N 1 1 322.315 3.023 20 5 DGBDMO COc1cc(F)c([N+](=O)[O-])c(N[C@@H]2CCC[N@H+]3CCCC[C@@H]23)c1 ZINC000848783984 631748053 /nfs/dbraw/zinc/74/80/53/631748053.db2.gz JLZRCSQCKDFWDP-HIFRSBDPSA-N 1 1 323.368 3.171 20 5 DGBDMO CC(C)[N@H+](Cc1cnc(Cl)n1C)Cc1ccc([N+](=O)[O-])cc1 ZINC000848880900 631768215 /nfs/dbraw/zinc/76/82/15/631768215.db2.gz JGGXSSJXXMGZGT-UHFFFAOYSA-N 1 1 322.796 3.392 20 5 DGBDMO CC(C)[N@@H+](Cc1cnc(Cl)n1C)Cc1ccc([N+](=O)[O-])cc1 ZINC000848880900 631768216 /nfs/dbraw/zinc/76/82/16/631768216.db2.gz JGGXSSJXXMGZGT-UHFFFAOYSA-N 1 1 322.796 3.392 20 5 DGBDMO O=[N+]([O-])c1cccc([C@@H](O)C[N@@H+]2CC[C@@H]2c2ccc(F)cc2)c1 ZINC000849326336 631893059 /nfs/dbraw/zinc/89/30/59/631893059.db2.gz HEHGDQPBXRRAFS-SJORKVTESA-N 1 1 316.332 3.214 20 5 DGBDMO O=[N+]([O-])c1cccc([C@@H](O)C[N@H+]2CC[C@@H]2c2ccc(F)cc2)c1 ZINC000849326336 631893065 /nfs/dbraw/zinc/89/30/65/631893065.db2.gz HEHGDQPBXRRAFS-SJORKVTESA-N 1 1 316.332 3.214 20 5 DGBDMO C[C@H](O)[C@H]([NH2+]Cc1cc([N+](=O)[O-])ccc1Cl)c1ccccc1 ZINC000850420907 632147848 /nfs/dbraw/zinc/14/78/48/632147848.db2.gz TUHQKBXDXVSSGH-ZBEGNZNMSA-N 1 1 320.776 3.460 20 5 DGBDMO Cc1noc(C[N@@H+]2CC[C@@H](c3c(F)cccc3F)C2)c1[N+](=O)[O-] ZINC000851944310 632527355 /nfs/dbraw/zinc/52/73/55/632527355.db2.gz LBCYMLNINOBTEV-SNVBAGLBSA-N 1 1 323.299 3.159 20 5 DGBDMO Cc1noc(C[N@H+]2CC[C@@H](c3c(F)cccc3F)C2)c1[N+](=O)[O-] ZINC000851944310 632527358 /nfs/dbraw/zinc/52/73/58/632527358.db2.gz LBCYMLNINOBTEV-SNVBAGLBSA-N 1 1 323.299 3.159 20 5 DGBDMO C[C@@H](CO)[C@H]1CCCC[N@H+]1Cc1cc([N+](=O)[O-])ccc1Cl ZINC000852422619 632601676 /nfs/dbraw/zinc/60/16/76/632601676.db2.gz GJXOOBZUOLHDIX-XHDPSFHLSA-N 1 1 312.797 3.231 20 5 DGBDMO C[C@H]1CCC[N@@H+](Cc2ccc(Cl)c([N+](=O)[O-])c2)[C@H]1CCO ZINC000852458144 632605954 /nfs/dbraw/zinc/60/59/54/632605954.db2.gz BMYDAVKIWORVBH-FZMZJTMJSA-N 1 1 312.797 3.231 20 5 DGBDMO O=[N+]([O-])c1cc(Cn2cc[nH+]c2C2CC2)ccc1Br ZINC000704176090 660804913 /nfs/dbraw/zinc/80/49/13/660804913.db2.gz WZAUYWPNKWOKKQ-UHFFFAOYSA-N 1 1 322.162 3.480 20 5 DGBDMO O=[N+]([O-])c1ccc(Cl)cc1C[N@@H+]1CCC[C@H]1[C@H]1CCCO1 ZINC000792925155 660994188 /nfs/dbraw/zinc/99/41/88/660994188.db2.gz KFJCBMZUFXPBBS-LSDHHAIUSA-N 1 1 310.781 3.392 20 5 DGBDMO O=[N+]([O-])c1ccc(Cl)cc1C[N@H+]1CCC[C@H]1[C@H]1CCCO1 ZINC000792925155 660994190 /nfs/dbraw/zinc/99/41/90/660994190.db2.gz KFJCBMZUFXPBBS-LSDHHAIUSA-N 1 1 310.781 3.392 20 5 DGBDMO O=[N+]([O-])c1cc(C[N@@H+]2CCCCC[C@@H]2CCO)ccc1Cl ZINC000792927627 660994706 /nfs/dbraw/zinc/99/47/06/660994706.db2.gz PYSMCYDCXAACIX-CYBMUJFWSA-N 1 1 312.797 3.375 20 5 DGBDMO O=[N+]([O-])c1ccc(C[N@@H+]2CCCCC[C@@H]2CCO)cc1Cl ZINC000793610706 661049886 /nfs/dbraw/zinc/04/98/86/661049886.db2.gz WOYGYOURPRKDOV-CYBMUJFWSA-N 1 1 312.797 3.375 20 5 DGBDMO C[N@@H+](CC(=O)Nc1cc(Cl)ccc1[N+](=O)[O-])C1CCCC1 ZINC000795594549 661162435 /nfs/dbraw/zinc/16/24/35/661162435.db2.gz JMZUEOFITXVQMM-UHFFFAOYSA-N 1 1 311.769 3.061 20 5 DGBDMO C[C@H](C[NH2+]Cc1ccc([N+](=O)[O-])cc1Cl)N1CCCCC1 ZINC000049963808 655628492 /nfs/dbraw/zinc/62/84/92/655628492.db2.gz JVBDZWVXHNVQNZ-GFCCVEGCSA-N 1 1 311.813 3.212 20 5 DGBDMO C[C@@H]1CC[C@H](c2ccccc2)[N@H+](Cn2cc([N+](=O)[O-])cn2)C1 ZINC000795700169 661168673 /nfs/dbraw/zinc/16/86/73/661168673.db2.gz HOWINFYDIKNDIK-CZUORRHYSA-N 1 1 300.362 3.222 20 5 DGBDMO C[C@@H]1CC[C@H](c2ccccc2)[N@@H+](Cn2cc([N+](=O)[O-])cn2)C1 ZINC000795700169 661168675 /nfs/dbraw/zinc/16/86/75/661168675.db2.gz HOWINFYDIKNDIK-CZUORRHYSA-N 1 1 300.362 3.222 20 5 DGBDMO CCc1ccc([C@@H]2CCC[N@H+](Cn3cc([N+](=O)[O-])cn3)C2)cc1 ZINC000795726838 661170014 /nfs/dbraw/zinc/17/00/14/661170014.db2.gz GTABSZLINCYCKM-MRXNPFEDSA-N 1 1 314.389 3.191 20 5 DGBDMO CCc1ccc([C@@H]2CCC[N@@H+](Cn3cc([N+](=O)[O-])cn3)C2)cc1 ZINC000795726838 661170016 /nfs/dbraw/zinc/17/00/16/661170016.db2.gz GTABSZLINCYCKM-MRXNPFEDSA-N 1 1 314.389 3.191 20 5 DGBDMO C[N@H+](Cc1ccccc1[N+](=O)[O-])C[C@H](O)c1ccc(Cl)cc1 ZINC000046599839 655833485 /nfs/dbraw/zinc/83/34/85/655833485.db2.gz VJWCMFKPQZGKIF-INIZCTEOSA-N 1 1 320.776 3.414 20 5 DGBDMO Cc1noc(C)c1C[N@H+](C)C/C=C\c1ccccc1[N+](=O)[O-] ZINC000255718852 655891724 /nfs/dbraw/zinc/89/17/24/655891724.db2.gz BIVIGWGORUDUJC-VURMDHGXSA-N 1 1 301.346 3.345 20 5 DGBDMO Cc1noc(C)c1C[N@@H+](C)C/C=C\c1ccccc1[N+](=O)[O-] ZINC000255718852 655891727 /nfs/dbraw/zinc/89/17/27/655891727.db2.gz BIVIGWGORUDUJC-VURMDHGXSA-N 1 1 301.346 3.345 20 5 DGBDMO C[C@@H]1C[N@@H+](Cc2ccc(-c3ccc([N+](=O)[O-])cc3)s2)C[C@H]1O ZINC000897683618 658483470 /nfs/dbraw/zinc/48/34/70/658483470.db2.gz FQDSMPXFPXCDET-IAQYHMDHSA-N 1 1 318.398 3.136 20 5 DGBDMO COCC[N@H+](Cc1ccc(Cl)c([N+](=O)[O-])c1)CC(C)C ZINC000042368997 658770223 /nfs/dbraw/zinc/77/02/23/658770223.db2.gz UDOXNEJZVIHTBZ-UHFFFAOYSA-N 1 1 300.786 3.353 20 5 DGBDMO CCC[N@@H+](Cn1nccc1[N+](=O)[O-])[C@@H]1CCc2ccccc2C1 ZINC000057104967 659003656 /nfs/dbraw/zinc/00/36/56/659003656.db2.gz NCNJSEJUOXGPDC-MRXNPFEDSA-N 1 1 314.389 3.018 20 5 DGBDMO O=[N+]([O-])c1ccc(F)cc1CN1CCC[N@H+](C2CCCC2)CC1 ZINC000172580556 659345656 /nfs/dbraw/zinc/34/56/56/659345656.db2.gz SFTPWSZTQDPALS-UHFFFAOYSA-N 1 1 321.396 3.184 20 5 DGBDMO C[C@H]([NH2+]Cc1ccc([N+](=O)[O-])cc1[N+](=O)[O-])c1ccsc1 ZINC000090359803 659550336 /nfs/dbraw/zinc/55/03/36/659550336.db2.gz JSHFXKLEBRKTHX-VIFPVBQESA-N 1 1 307.331 3.415 20 5 DGBDMO COC(=O)c1cc(C[NH2+][C@H](C)c2ccc([N+](=O)[O-])cc2)oc1C ZINC000932183110 661545326 /nfs/dbraw/zinc/54/53/26/661545326.db2.gz PSZSYGJDBDAQKG-SNVBAGLBSA-N 1 1 318.329 3.134 20 5 DGBDMO O=[N+]([O-])c1ccc(F)cc1C[N@H+]1CCC[C@H](C2CCOCC2)C1 ZINC000933078792 661616620 /nfs/dbraw/zinc/61/66/20/661616620.db2.gz RCFGJCFXQCRXEU-AWEZNQCLSA-N 1 1 322.380 3.373 20 5 DGBDMO O=[N+]([O-])c1cc(F)ccc1C[N@H+]1CC[C@H](Cc2nccs2)C1 ZINC000934333571 661697952 /nfs/dbraw/zinc/69/79/52/661697952.db2.gz WZTWJHDFFBEPLS-LLVKDONJSA-N 1 1 321.377 3.255 20 5 DGBDMO Cc1ccc(C[N@H+]2CC[C@@H](Cc3nccs3)C2)cc1[N+](=O)[O-] ZINC000934330736 661697974 /nfs/dbraw/zinc/69/79/74/661697974.db2.gz IUKFKLCUTJEXQN-AWEZNQCLSA-N 1 1 317.414 3.424 20 5 DGBDMO O=[N+]([O-])c1ccccc1C[N@H+]1CCCC[C@H]([C@H]2CCOC2)C1 ZINC000934834323 661738300 /nfs/dbraw/zinc/73/83/00/661738300.db2.gz QAJFYGIIKTUQFX-HOCLYGCPSA-N 1 1 304.390 3.233 20 5 DGBDMO C[C@@H]1CSCC[N@H+](Cc2ccc(Cl)c([N+](=O)[O-])c2)C1 ZINC000190468841 662033522 /nfs/dbraw/zinc/03/35/22/662033522.db2.gz WMVBMSAZFXEJSN-JTQLQIEISA-N 1 1 300.811 3.433 20 5 DGBDMO C[C@@H]1CSCC[N@@H+](Cc2ccc(Cl)c([N+](=O)[O-])c2)C1 ZINC000190468841 662033523 /nfs/dbraw/zinc/03/35/23/662033523.db2.gz WMVBMSAZFXEJSN-JTQLQIEISA-N 1 1 300.811 3.433 20 5 DGBDMO C[C@H]1CSCC[N@H+](Cc2cc([N+](=O)[O-])ccc2Cl)C1 ZINC000190479381 662033736 /nfs/dbraw/zinc/03/37/36/662033736.db2.gz WBCNIVXVSKHMHD-SNVBAGLBSA-N 1 1 300.811 3.433 20 5 DGBDMO C[C@H]1CSCC[N@@H+](Cc2cc([N+](=O)[O-])ccc2Cl)C1 ZINC000190479381 662033737 /nfs/dbraw/zinc/03/37/37/662033737.db2.gz WBCNIVXVSKHMHD-SNVBAGLBSA-N 1 1 300.811 3.433 20 5 DGBDMO C[C@@H]([NH2+]Cc1ccccc1[N+](=O)[O-])c1cccc([N+](=O)[O-])c1 ZINC000193903274 662152782 /nfs/dbraw/zinc/15/27/82/662152782.db2.gz BAUGNIJLADQODF-LLVKDONJSA-N 1 1 301.302 3.354 20 5 DGBDMO CC(C)C[C@@H]1CCC[N@@H+](C[C@@H](O)c2cccc([N+](=O)[O-])c2)C1 ZINC000246316446 662253592 /nfs/dbraw/zinc/25/35/92/662253592.db2.gz RIBKHASDUDZQGX-WMLDXEAASA-N 1 1 306.406 3.386 20 5 DGBDMO C[C@@H]([NH2+]Cc1ccc([N+](=O)[O-])cc1[N+](=O)[O-])c1ccsc1 ZINC000090359804 662260786 /nfs/dbraw/zinc/26/07/86/662260786.db2.gz JSHFXKLEBRKTHX-SECBINFHSA-N 1 1 307.331 3.415 20 5 DGBDMO C[C@H](C[NH2+]Cc1cc([N+](=O)[O-])ccc1Cl)N1CCCCC1 ZINC000038028869 662271141 /nfs/dbraw/zinc/27/11/41/662271141.db2.gz WFVKEQJGAZIXQU-GFCCVEGCSA-N 1 1 311.813 3.212 20 5 DGBDMO C[C@@H]1CCCC[C@]1(CN)[NH2+]Cc1ccc(Cl)c([N+](=O)[O-])c1 ZINC001576689976 1191862748 /nfs/dbraw/zinc/86/27/48/1191862748.db2.gz GGWOYFXZUHSXQY-IAQYHMDHSA-N 1 1 311.813 3.245 20 5 DGBDMO C[C@@H](C(=O)Nc1cccc([N+](=O)[O-])c1)[N@H+]1CC[C@@H](C)C[C@@H](C)C1 ZINC001620591919 1192021865 /nfs/dbraw/zinc/02/18/65/1192021865.db2.gz UTEJALPBRIJQBZ-MCIONIFRSA-N 1 1 319.405 3.290 20 5 DGBDMO O=[N+]([O-])c1ccc2c(c1)C[N@@H+](C[C@H]1CCC3(CCC3)O1)CC2 ZINC001331760668 1178279790 /nfs/dbraw/zinc/27/97/90/1178279790.db2.gz YCRPCWWJVXKRLD-MRXNPFEDSA-N 1 1 302.374 3.055 20 5 DGBDMO O=[N+]([O-])c1ccc2c(c1)C[N@H+](C[C@H]1CCC3(CCC3)O1)CC2 ZINC001331760668 1178279794 /nfs/dbraw/zinc/27/97/94/1178279794.db2.gz YCRPCWWJVXKRLD-MRXNPFEDSA-N 1 1 302.374 3.055 20 5 DGBDMO CCC[N@H+]1CC[C@@H](CNc2ncc([N+](=O)[O-])c3ccccc32)C1 ZINC001332198363 1178389240 /nfs/dbraw/zinc/38/92/40/1178389240.db2.gz WDCJWYFOIJZDQC-ZDUSSCGKSA-N 1 1 314.389 3.287 20 5 DGBDMO Cc1ccc([C@H](C)N[C@@H]2CCCC[C@@H]2[NH+](C)C)cc1[N+](=O)[O-] ZINC001333478270 1178611582 /nfs/dbraw/zinc/61/15/82/1178611582.db2.gz LCPAARJNDXDRKT-IMJJTQAJSA-N 1 1 305.422 3.427 20 5 DGBDMO O=[N+]([O-])c1ccc(-c2cnn(C[N@H+]3CCC[C@H](CF)C3)c2)cc1 ZINC001333807116 1178677660 /nfs/dbraw/zinc/67/76/60/1178677660.db2.gz OCHBJISJGNEVRB-CYBMUJFWSA-N 1 1 318.352 3.097 20 5 DGBDMO O=[N+]([O-])c1cnc(NC[C@@H]2CC[N@H+](C3CC3)C2)c2ccccc21 ZINC001333861621 1178685956 /nfs/dbraw/zinc/68/59/56/1178685956.db2.gz TWYWPSWJKVBGPO-LBPRGKRZSA-N 1 1 312.373 3.039 20 5 DGBDMO CC(C)[N@H+]1CCCC[C@@H]1CN1Cc2ccc([N+](=O)[O-])cc2C1 ZINC001344113413 1179380788 /nfs/dbraw/zinc/38/07/88/1179380788.db2.gz NGTJXZUQFREZQN-QGZVFWFLSA-N 1 1 303.406 3.173 20 5 DGBDMO COC[C@@H](C[N@@H+](Cc1ccccc1[N+](=O)[O-])C1CC1)C(C)C ZINC001459794719 1182616408 /nfs/dbraw/zinc/61/64/08/1182616408.db2.gz FXNDMMPQHDJIGG-OAHLLOKOSA-N 1 1 306.406 3.478 20 5 DGBDMO C[N@@H+](CCc1cccc([N+](=O)[O-])c1)C[C@H]1CCC(C)(C)CO1 ZINC001460008362 1182640355 /nfs/dbraw/zinc/64/03/55/1182640355.db2.gz URGUQEVEWNWVGR-MRXNPFEDSA-N 1 1 306.406 3.274 20 5 DGBDMO C[C@H]([NH2+]Cc1cc(F)ccc1[N+](=O)[O-])c1ccc([N+](=O)[O-])cc1 ZINC001460749594 1182717180 /nfs/dbraw/zinc/71/71/80/1182717180.db2.gz SVCRWGZAUJGSHC-JTQLQIEISA-N 1 1 319.292 3.493 20 5 DGBDMO Cc1c(CNCC(C)(C)[NH+]2CCCCC2)cccc1[N+](=O)[O-] ZINC001461001493 1182753227 /nfs/dbraw/zinc/75/32/27/1182753227.db2.gz WZZPKVLNQDRIPC-UHFFFAOYSA-N 1 1 305.422 3.257 20 5 DGBDMO C[C@@H](C[N@H+]1CCC[C@@H](C)C1)Nc1nc2cc([N+](=O)[O-])ccc2[nH]1 ZINC001472668752 1183664232 /nfs/dbraw/zinc/66/42/32/1183664232.db2.gz XJBOZKKATWSJSK-NEPJUHHUSA-N 1 1 317.393 3.003 20 5 DGBDMO O=[N+]([O-])c1cnc(NC[C@H]2CC[N@H+]2C2CCCCC2)c(Cl)c1 ZINC001472834160 1183687950 /nfs/dbraw/zinc/68/79/50/1183687950.db2.gz AUDYVMCOUYEEJR-GFCCVEGCSA-N 1 1 324.812 3.462 20 5 DGBDMO CCC[N@@H+](CCn1c(C)ncc1[N+](=O)[O-])CC1CCCCC1 ZINC001473120005 1183716817 /nfs/dbraw/zinc/71/68/17/1183716817.db2.gz CZYFFSYQVLNMQP-UHFFFAOYSA-N 1 1 308.426 3.392 20 5 DGBDMO CC1(C)CO[C@H](C[N@H+](Cc2ccccc2[N+](=O)[O-])C2CC2)C1 ZINC001473294125 1183740671 /nfs/dbraw/zinc/74/06/71/1183740671.db2.gz HBCMMTPUJFTMOZ-HNNXBMFYSA-N 1 1 304.390 3.374 20 5 DGBDMO CC1(C)CO[C@H](C[N@@H+](Cc2ccccc2[N+](=O)[O-])C2CC2)C1 ZINC001473294125 1183740675 /nfs/dbraw/zinc/74/06/75/1183740675.db2.gz HBCMMTPUJFTMOZ-HNNXBMFYSA-N 1 1 304.390 3.374 20 5 DGBDMO CCCC[C@@H](C)[N@@H+](C)CCC(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC001473523086 1183769111 /nfs/dbraw/zinc/76/91/11/1183769111.db2.gz FYEGFVAEOMRKEC-CYBMUJFWSA-N 1 1 307.394 3.434 20 5 DGBDMO CC(C)(C)C[C@@H]1CC[N@@H+](CCn2ccc([N+](=O)[O-])n2)C1(C)C ZINC001473542311 1183772229 /nfs/dbraw/zinc/77/22/29/1183772229.db2.gz QKZKKGSIJXGKKS-ZDUSSCGKSA-N 1 1 308.426 3.328 20 5 DGBDMO CCC[N@@H+](CC(=O)Nc1ccc(Cl)c([N+](=O)[O-])c1)C(C)C ZINC001473591097 1183777887 /nfs/dbraw/zinc/77/78/87/1183777887.db2.gz OCZDOEDSIZCITI-UHFFFAOYSA-N 1 1 313.785 3.307 20 5 DGBDMO COc1cc([N+](=O)[O-])ccc1C[N@@H+]1CCO[C@@H](C(C)(C)C)CC1 ZINC001473896903 1183821704 /nfs/dbraw/zinc/82/17/04/1183821704.db2.gz JHPFGRDBJFMXQV-MRXNPFEDSA-N 1 1 322.405 3.240 20 5 DGBDMO COc1cc([N+](=O)[O-])ccc1C[N@H+]1CCO[C@@H](C(C)(C)C)CC1 ZINC001473896903 1183821708 /nfs/dbraw/zinc/82/17/08/1183821708.db2.gz JHPFGRDBJFMXQV-MRXNPFEDSA-N 1 1 322.405 3.240 20 5 DGBDMO C[C@@H]([NH2+]Cc1cccc2[nH]c(=O)oc21)c1ccccc1[N+](=O)[O-] ZINC001474256802 1183890461 /nfs/dbraw/zinc/89/04/61/1183890461.db2.gz WKTBTIZVAIZPSA-SNVBAGLBSA-N 1 1 313.313 3.292 20 5 DGBDMO COc1c(O)ccc(C[N@H+]2CC[C@@H]3CCCC[C@@H]3C2)c1[N+](=O)[O-] ZINC001474403176 1183915784 /nfs/dbraw/zinc/91/57/84/1183915784.db2.gz ZVACOEPYUGVKJO-QWHCGFSZSA-N 1 1 320.389 3.321 20 5 DGBDMO Cc1cscc1C[NH2+]Cc1nc2cc([N+](=O)[O-])ccc2o1 ZINC001474489307 1183929026 /nfs/dbraw/zinc/92/90/26/1183929026.db2.gz BYPNCZDSULOOGY-UHFFFAOYSA-N 1 1 303.343 3.396 20 5 DGBDMO CCc1c[nH]c2nc[nH+]c(NCc3cccc([N+](=O)[O-])c3C)c12 ZINC001612255172 1193449414 /nfs/dbraw/zinc/44/94/14/1193449414.db2.gz NKJGWZHKSXPWIC-UHFFFAOYSA-N 1 1 311.345 3.349 20 5 DGBDMO CC[C@H](OC(=O)[C@H]1CC[N@@H+](C)[C@@H](C)C1)c1cccc([N+](=O)[O-])c1 ZINC001520682295 1186960638 /nfs/dbraw/zinc/96/06/38/1186960638.db2.gz ZOLCXODVLDCQCR-NOLJZWGESA-N 1 1 320.389 3.319 20 5 DGBDMO CCc1[nH+]ccn1CCNc1nccc2c1cccc2[N+](=O)[O-] ZINC001612908369 1193463352 /nfs/dbraw/zinc/46/33/52/1193463352.db2.gz NONVEFPCAQSZRP-UHFFFAOYSA-N 1 1 311.345 3.014 20 5 DGBDMO C[C@H](c1ccccc1)[N@@H+](CCO)CCc1ccc([N+](=O)[O-])cc1 ZINC001616441969 1193539457 /nfs/dbraw/zinc/53/94/57/1193539457.db2.gz QXETYURMVNJVFG-OAHLLOKOSA-N 1 1 314.385 3.193 20 5 DGBDMO CC[C@@H]1CC[N@@H+]([C@@H](C)C(=O)Nc2ccc([N+](=O)[O-])cc2)[C@H]1C ZINC001617358647 1193566640 /nfs/dbraw/zinc/56/66/40/1193566640.db2.gz BQDIMXICYRYNHM-RWMBFGLXSA-N 1 1 305.378 3.042 20 5 DGBDMO Cc1ccc(C[N@@H+]2CCOCC23CCCCC3)cc1[N+](=O)[O-] ZINC001617947302 1193587026 /nfs/dbraw/zinc/58/70/26/1193587026.db2.gz KHLOGGVDYIIIII-UHFFFAOYSA-N 1 1 304.390 3.438 20 5 DGBDMO Cc1ccc(C[N@H+]2CCOCC23CCCCC3)cc1[N+](=O)[O-] ZINC001617947302 1193587032 /nfs/dbraw/zinc/58/70/32/1193587032.db2.gz KHLOGGVDYIIIII-UHFFFAOYSA-N 1 1 304.390 3.438 20 5 DGBDMO O=[N+]([O-])c1cc(F)c(NC[C@H]2CC[N@H+]2C2CCCC2)c(F)c1 ZINC001559251940 1189187143 /nfs/dbraw/zinc/18/71/43/1189187143.db2.gz NIDULXKVVMSHLI-LLVKDONJSA-N 1 1 311.332 3.302 20 5 DGBDMO CC[N@@H+](CCn1c(C)ncc1[N+](=O)[O-])Cc1cccc(Cl)c1 ZINC001559485469 1189209653 /nfs/dbraw/zinc/20/96/53/1189209653.db2.gz IJVCWGWSSHNJBA-UHFFFAOYSA-N 1 1 322.796 3.275 20 5 DGBDMO C[C@@H]1C[N@@H+](CCOc2cccc([N+](=O)[O-])c2)[C@H]2CCCC[C@H]12 ZINC001559673443 1189229392 /nfs/dbraw/zinc/22/93/92/1189229392.db2.gz KCUFRZSSUMESNA-XYPHTWIQSA-N 1 1 304.390 3.484 20 5 DGBDMO COC[C@H]([NH2+]Cc1ccc(F)cc1[N+](=O)[O-])c1ccc(F)cc1 ZINC001559686693 1189230999 /nfs/dbraw/zinc/23/09/99/1189230999.db2.gz LJEVORQEPRKRSG-HNNXBMFYSA-N 1 1 322.311 3.350 20 5 DGBDMO O=[N+]([O-])c1cccc(C[N@H+]2CC[C@H](Oc3ccc(F)cc3)C2)c1 ZINC001560121383 1189281053 /nfs/dbraw/zinc/28/10/53/1189281053.db2.gz DFPIDLNVIQHNPG-KRWDZBQOSA-N 1 1 316.332 3.387 20 5 DGBDMO C[C@]12C[N@@H+](Cc3cc(F)ccc3[N+](=O)[O-])C[C@H]1[C@H]1C=C[C@@H]2C1 ZINC001560185022 1189288521 /nfs/dbraw/zinc/28/85/21/1189288521.db2.gz LLHYXOOSNWQARW-MAQMMGONSA-N 1 1 302.349 3.378 20 5 DGBDMO O=[N+]([O-])c1cccc(C[NH2+]Cc2noc3cc(F)ccc32)c1 ZINC001560567276 1189342465 /nfs/dbraw/zinc/34/24/65/1189342465.db2.gz BLWDTAKDIYSPGW-UHFFFAOYSA-N 1 1 301.277 3.165 20 5 DGBDMO C[C@H](c1ccccc1[N+](=O)[O-])N1C[C@H]2CCCC[C@@]2(C[NH3+])C1 ZINC001576315826 1191559356 /nfs/dbraw/zinc/55/93/56/1191559356.db2.gz MWJCPQVUPAKYSK-CKEIUWERSA-N 1 1 303.406 3.107 20 5 DGBDMO O=[N+]([O-])c1ccc(CC[N@H+]2CCCC[C@@H]([C@H]3CCOC3)C2)cc1 ZINC001620655124 1193786733 /nfs/dbraw/zinc/78/67/33/1193786733.db2.gz YQEQLWKGEHVHAF-SJORKVTESA-N 1 1 318.417 3.276 20 5 DGBDMO O=[N+]([O-])c1ccc(CC[N@H+]2CCCC[C@@H]([C@@H]3CCOC3)C2)cc1 ZINC001620655122 1193787232 /nfs/dbraw/zinc/78/72/32/1193787232.db2.gz YQEQLWKGEHVHAF-IAGOWNOFSA-N 1 1 318.417 3.276 20 5 DGBDMO CC[C@@H](C)[N@@H+](C)CCNc1cc(OC)c([N+](=O)[O-])cc1Cl ZINC001639406386 1194763656 /nfs/dbraw/zinc/76/36/56/1194763656.db2.gz BPWRTNOSZAMFSN-SNVBAGLBSA-N 1 1 315.801 3.399 20 5 DGBDMO CC1(C)CCC[N@H+]1CCNc1ccc([N+](=O)[O-])c2cccnc12 ZINC001642786983 1194938763 /nfs/dbraw/zinc/93/87/63/1194938763.db2.gz JZICAHNKDVTEGM-UHFFFAOYSA-N 1 1 314.389 3.429 20 5 DGBDMO O=[N+]([O-])c1ccc(CC[N@H+]2CCSC[C@@H]2C2CCC2)cc1 ZINC001643502585 1195030237 /nfs/dbraw/zinc/03/02/37/1195030237.db2.gz ZMISMDCBUKABLX-MRXNPFEDSA-N 1 1 306.431 3.355 20 5 DGBDMO Cc1ncc([N+](=O)[O-])n1CC[N@H+]1CCCC[C@H]1CC1CCC1 ZINC001643914891 1195063912 /nfs/dbraw/zinc/06/39/12/1195063912.db2.gz GELJHCXUJGKIFI-HNNXBMFYSA-N 1 1 306.410 3.144 20 5 DGBDMO O=[N+]([O-])c1ccc(Br)c(C[N@@H+]2CC[C@H]3C[C@H]3C2)c1 ZINC001643923806 1195064173 /nfs/dbraw/zinc/06/41/73/1195064173.db2.gz UNMOWWNFCRWUNA-UWVGGRQHSA-N 1 1 311.179 3.199 20 5 DGBDMO O=[N+]([O-])c1ccc(Br)c(C[N@H+]2CC[C@H]3C[C@H]3C2)c1 ZINC001643923806 1195064175 /nfs/dbraw/zinc/06/41/75/1195064175.db2.gz UNMOWWNFCRWUNA-UWVGGRQHSA-N 1 1 311.179 3.199 20 5 DGBDMO O=[N+]([O-])c1ccc(OCC[NH2+][C@@H](CF)c2ccc(F)cc2)cc1 ZINC001644239386 1195092462 /nfs/dbraw/zinc/09/24/62/1195092462.db2.gz YBAGFRAIXPFSBQ-INIZCTEOSA-N 1 1 322.311 3.413 20 5 DGBDMO Cc1ccc([N+](=O)[O-])cc1[C@@H](C)[N@@H+]1Cc2c[nH]nc2C[C@@H](C)C1 ZINC001644507473 1195114220 /nfs/dbraw/zinc/11/42/20/1195114220.db2.gz IKLFQOGSKORTQV-DGCLKSJQSA-N 1 1 314.389 3.382 20 5 DGBDMO CC[N@@H+](CCOc1ccc([N+](=O)[O-])cc1)Cc1occc1C ZINC001646235293 1195218402 /nfs/dbraw/zinc/21/84/02/1195218402.db2.gz VMSUVEXNAZVBCI-UHFFFAOYSA-N 1 1 304.346 3.397 20 5 DGBDMO Cc1ccc([N+](=O)[O-])cc1[C@@H](C)[N@H+]1CC[C@@H](c2cnccn2)C1 ZINC001648442330 1195301322 /nfs/dbraw/zinc/30/13/22/1195301322.db2.gz GYZCFGVNLXOQRP-ZIAGYGMSSA-N 1 1 312.373 3.244 20 5 DGBDMO Cc1cc(N2CC[N@H+](C)C3(CCCCC3)C2)c(F)cc1[N+](=O)[O-] ZINC001651079203 1195411212 /nfs/dbraw/zinc/41/12/12/1195411212.db2.gz IQDZXNMXXKSVBK-UHFFFAOYSA-N 1 1 321.396 3.497 20 5 DGBDMO C[N@@H+](CCc1ccccc1[N+](=O)[O-])Cc1cccc2c1OCC2 ZINC001652446562 1195598396 /nfs/dbraw/zinc/59/83/96/1195598396.db2.gz ODWOLROYFCLQNR-UHFFFAOYSA-N 1 1 312.369 3.204 20 5 DGBDMO C[C@@H](Cc1cccs1)[N@@H+](C)C[C@@H](O)c1ccc([N+](=O)[O-])cc1 ZINC001652665622 1195633697 /nfs/dbraw/zinc/63/36/97/1195633697.db2.gz OGUDSUKGTGVDJC-BLLLJJGKSA-N 1 1 320.414 3.253 20 5 DGBDMO C[C@H](Cc1cccs1)[N@@H+](C)C[C@@H](O)c1ccc([N+](=O)[O-])cc1 ZINC001652665624 1195634320 /nfs/dbraw/zinc/63/43/20/1195634320.db2.gz OGUDSUKGTGVDJC-MLGOLLRUSA-N 1 1 320.414 3.253 20 5 DGBDMO CC[C@H]1CC[N@@H+](CCC(=O)Nc2ccc([N+](=O)[O-])cc2C)[C@H]1C ZINC001654218873 1195785518 /nfs/dbraw/zinc/78/55/18/1195785518.db2.gz PZGNFZBCTDPKRJ-KBPBESRZSA-N 1 1 319.405 3.352 20 5 DGBDMO COC(=O)c1ccc([N+](=O)[O-])c(C[N@@H+](C)C[C@@H](C)C(C)(C)C)c1 ZINC001654730401 1195833957 /nfs/dbraw/zinc/83/39/57/1195833957.db2.gz NANDQLFRDDFHAP-GFCCVEGCSA-N 1 1 322.405 3.495 20 5 DGBDMO O=[N+]([O-])c1ccccc1OCC[N@H+]1C[C@@H](C2CC2)C[C@H]1C1CC1 ZINC001654956311 1195859076 /nfs/dbraw/zinc/85/90/76/1195859076.db2.gz FPNMRTPYPWYNJA-RDJZCZTQSA-N 1 1 316.401 3.484 20 5 DGBDMO O=[N+]([O-])c1ccccc1OCC[N@H+]1CCCC[C@]12CCCOC2 ZINC001655141719 1195880949 /nfs/dbraw/zinc/88/09/49/1195880949.db2.gz LNLADPWJWLIRDB-QGZVFWFLSA-N 1 1 320.389 3.009 20 5 DGBDMO CCC(O)(CC)C[N@@H+](C)Cc1cc([N+](=O)[O-])ccc1OC(C)C ZINC001655248310 1195895158 /nfs/dbraw/zinc/89/51/58/1195895158.db2.gz YRAMUYDVFFEHPO-UHFFFAOYSA-N 1 1 324.421 3.365 20 5 DGBDMO COc1cc([N+](=O)[O-])ccc1C[N@H+]1C[C@@H]2C[C@]2(c2ccccc2)C1 ZINC001655571908 1195933944 /nfs/dbraw/zinc/93/39/44/1195933944.db2.gz DKMIOBQZJGKWMC-QFBILLFUSA-N 1 1 324.380 3.377 20 5 DGBDMO COc1cc([N+](=O)[O-])ccc1C[N@H+]1CCCC[C@@]12CCCOC2 ZINC001655921779 1195977989 /nfs/dbraw/zinc/97/79/89/1195977989.db2.gz IMAJLAQIXRJECR-KRWDZBQOSA-N 1 1 320.389 3.139 20 5 DGBDMO CC[N@@H+](C)[C@@H]1CCN(c2c(Cl)c(Cl)ccc2[N+](=O)[O-])C1 ZINC001655961220 1195983757 /nfs/dbraw/zinc/98/37/57/1195983757.db2.gz BPKFWMKSGJFPJH-SECBINFHSA-N 1 1 318.204 3.432 20 5 DGBDMO O=[N+]([O-])c1ccc(OC(F)F)c(C[NH2+]Cc2cccc(O)c2)c1 ZINC001656317570 1196030258 /nfs/dbraw/zinc/03/02/58/1196030258.db2.gz VYXGVLIYJIHCDO-UHFFFAOYSA-N 1 1 324.283 3.192 20 5 DGBDMO COc1ccc([N+](=O)[O-])cc1C[NH2+]Cc1cnc(C2CC2)s1 ZINC001656998518 1196091687 /nfs/dbraw/zinc/09/16/87/1196091687.db2.gz JUQWUHUFXDTMDV-UHFFFAOYSA-N 1 1 319.386 3.227 20 5 DGBDMO CC[C@@H]([NH2+]Cc1nccn1C1CC1)c1cccc([N+](=O)[O-])c1 ZINC001657579774 1196157089 /nfs/dbraw/zinc/15/70/89/1196157089.db2.gz HRDUXBXFBBFHPR-OAHLLOKOSA-N 1 1 300.362 3.367 20 5 DGBDMO CCOC(=O)C[C@H]1CCC[N@H+]1Cc1c(C)ccc([N+](=O)[O-])c1C ZINC001658967658 1196325668 /nfs/dbraw/zinc/32/56/68/1196325668.db2.gz LTKVILUONZRJAE-CQSZACIVSA-N 1 1 320.389 3.129 20 5 DGBDMO C[C@H]1Cc2cc(C[N@@H+]3CCc4ccc([N+](=O)[O-])cc4C3)ccc2O1 ZINC001659156795 1196353081 /nfs/dbraw/zinc/35/30/81/1196353081.db2.gz BXQZMAGANZVNFI-ZDUSSCGKSA-N 1 1 324.380 3.477 20 5 DGBDMO C[C@H]1Cc2cc(C[N@H+]3CCc4ccc([N+](=O)[O-])cc4C3)ccc2O1 ZINC001659156795 1196353085 /nfs/dbraw/zinc/35/30/85/1196353085.db2.gz BXQZMAGANZVNFI-ZDUSSCGKSA-N 1 1 324.380 3.477 20 5 DGBDMO O=[N+]([O-])c1ccc(OCC[N@@H+](CCC2CC2)CC2CC2)cc1 ZINC001659548348 1196393554 /nfs/dbraw/zinc/39/35/54/1196393554.db2.gz RPJJWJJUDSTYSO-UHFFFAOYSA-N 1 1 304.390 3.486 20 5 DGBDMO CC[C@H](CNCc1c(C)ccc([N+](=O)[O-])c1C)[NH+]1CCCC1 ZINC001660880215 1196538242 /nfs/dbraw/zinc/53/82/42/1196538242.db2.gz UZEADAOIGYIZIX-OAHLLOKOSA-N 1 1 305.422 3.176 20 5 DGBDMO C/C=C/C[C@@H]1CCC[N@H+](Cc2ccc(O)c(OC)c2[N+](=O)[O-])C1 ZINC001665377776 1197130317 /nfs/dbraw/zinc/13/03/17/1197130317.db2.gz GNFRXENRCJSWGX-ITDFMYJTSA-N 1 1 320.389 3.487 20 5 DGBDMO CC[C@H](C)[N@@H+](C)CCNc1cc(OC)c([N+](=O)[O-])cc1Cl ZINC001639406385 1194763814 /nfs/dbraw/zinc/76/38/14/1194763814.db2.gz BPWRTNOSZAMFSN-JTQLQIEISA-N 1 1 315.801 3.399 20 5 DGBDMO COc1ccc([N+](=O)[O-])cc1Nc1ccc2c(c1)C[N@H+](C)CC2 ZINC001210449718 1081964524 /nfs/dbraw/zinc/96/45/24/1081964524.db2.gz LZUAKSVOMMRNCY-UHFFFAOYSA-N 1 1 313.357 3.335 20 5 DGBDMO CO[C@H]1C[C@@H]([N@@H+](C)Cc2cccc([N+](=O)[O-])c2C)C12CCC2 ZINC001170324866 1082346481 /nfs/dbraw/zinc/34/64/81/1082346481.db2.gz TUUFHSGCWWCHRB-CVEARBPZSA-N 1 1 304.390 3.293 20 5 DGBDMO CCO[C@@H]1CCC[N@H+]([C@@H](C)Cc2ccc(OC)cc2[N+](=O)[O-])C1 ZINC001170344659 1082355099 /nfs/dbraw/zinc/35/50/99/1082355099.db2.gz DRVMAANMDPBYED-XJKSGUPXSA-N 1 1 322.405 3.035 20 5 DGBDMO Cc1cc([N+](=O)[O-])c(N2CC[N@H+](C)CC23CCCC3)nc1Cl ZINC001158408725 1082689670 /nfs/dbraw/zinc/68/96/70/1082689670.db2.gz NZPTXIVRQDNBQJ-UHFFFAOYSA-N 1 1 324.812 3.016 20 5 DGBDMO Cc1cc(NC(=O)[C@H]2CCC[N@H+]2C2CCCC2)cc([N+](=O)[O-])c1 ZINC001181022533 1083386804 /nfs/dbraw/zinc/38/68/04/1083386804.db2.gz XIAVDXORNRSXNQ-MRXNPFEDSA-N 1 1 317.389 3.249 20 5 DGBDMO C[C@@H]1CCCC[N@H+]1CCCNc1c(Cl)nccc1[N+](=O)[O-] ZINC001167751147 1083622263 /nfs/dbraw/zinc/62/22/63/1083622263.db2.gz IHHSPBOWDPSDSM-LLVKDONJSA-N 1 1 312.801 3.320 20 5 DGBDMO Cc1[nH+]ccn1Cc1ccc(Nc2ccc([N+](=O)[O-])nc2)cc1 ZINC001203574787 1084013167 /nfs/dbraw/zinc/01/31/67/1084013167.db2.gz KWJGXUHVEXYJIG-UHFFFAOYSA-N 1 1 309.329 3.287 20 5 DGBDMO C[N@H+]1CCC[C@](C)(Nc2nccc3ccc([N+](=O)[O-])cc32)C1 ZINC001162338237 1089678301 /nfs/dbraw/zinc/67/83/01/1089678301.db2.gz ZMBSIZIIEIIDBQ-INIZCTEOSA-N 1 1 300.362 3.039 20 5 DGBDMO C[N@H+]1CCC[C@](C)(Nc2ncc([N+](=O)[O-])c3ccccc32)C1 ZINC001162342269 1089683483 /nfs/dbraw/zinc/68/34/83/1089683483.db2.gz SZEOQLSSSYDHRZ-INIZCTEOSA-N 1 1 300.362 3.039 20 5 DGBDMO C[C@@H]1CCCC[N@H+]1CCCNc1cc([N+](=O)[O-])c2cc[nH]c2n1 ZINC001156927458 1089749096 /nfs/dbraw/zinc/74/90/96/1089749096.db2.gz DQOAGVYXPWPLNW-GFCCVEGCSA-N 1 1 317.393 3.148 20 5 DGBDMO CCOc1nc(NCCC[N@H+]2CCCC[C@H]2C)ccc1[N+](=O)[O-] ZINC001156929756 1089754605 /nfs/dbraw/zinc/75/46/05/1089754605.db2.gz YTYPCUHQRSEECJ-CYBMUJFWSA-N 1 1 322.409 3.065 20 5 DGBDMO C[N@H+]1CCC[C@H]2CN(c3ccc4ccc5cccnc5c4n3)C[C@H]21 ZINC001157264558 1089893249 /nfs/dbraw/zinc/89/32/49/1089893249.db2.gz FIGKAIBYOPJEQV-DLBZAZTESA-N 1 1 318.424 3.313 20 5 DGBDMO CCc1c[nH]c2nc[nH+]c(NCCc3cccc([N+](=O)[O-])c3)c12 ZINC001162967811 1090039232 /nfs/dbraw/zinc/03/92/32/1090039232.db2.gz PSEBPNSMWIKULE-UHFFFAOYSA-N 1 1 311.345 3.035 20 5 DGBDMO CC(C)[N@H+]1CCN(c2nccc3cc([N+](=O)[O-])ccc32)C[C@H]1C ZINC001165201031 1090478540 /nfs/dbraw/zinc/47/85/40/1090478540.db2.gz KZTTVUROIQJEHX-CYBMUJFWSA-N 1 1 314.389 3.062 20 5 DGBDMO C[N@H+]1CCC[C@@H](CCNc2ncc(C(C)(C)C)cc2[N+](=O)[O-])C1 ZINC001165260190 1090491338 /nfs/dbraw/zinc/49/13/38/1090491338.db2.gz FNJLTZXNBWDLQO-ZDUSSCGKSA-N 1 1 320.437 3.431 20 5 DGBDMO CC1(C)CCC[N@H+]1CCNCc1ccc(Cl)cc1[N+](=O)[O-] ZINC001206256583 1091553055 /nfs/dbraw/zinc/55/30/55/1091553055.db2.gz WOOYWNPJBSZBJG-UHFFFAOYSA-N 1 1 311.813 3.212 20 5 DGBDMO CC(C)[N@@H+](CC(=O)c1ccccc1)[C@H]1CC[C@@H](C[N+](=O)[O-])C1 ZINC001169039298 1092501884 /nfs/dbraw/zinc/50/18/84/1092501884.db2.gz PKRHNCWSPRRSNA-ZBFHGGJFSA-N 1 1 304.390 3.025 20 5 DGBDMO O=[N+]([O-])C[C@@H]1CC[C@H]([N@H+]2CCc3c4ccccc4oc3C2)C1 ZINC001169038658 1092502057 /nfs/dbraw/zinc/50/20/57/1092502057.db2.gz JYSYMHWJRDXGBX-OLZOCXBDSA-N 1 1 300.358 3.236 20 5 DGBDMO COc1ccccc1C[C@H](C)[N@@H+](C)[C@@H]1CC[C@H](C[N+](=O)[O-])C1 ZINC001169047456 1092507870 /nfs/dbraw/zinc/50/78/70/1092507870.db2.gz RCSNQRFXEUBZSE-OFQRWUPVSA-N 1 1 306.406 3.003 20 5 DGBDMO Cc1cccc([N+](=O)[O-])c1N1CCC(c2c[nH+]cn2C)CC1 ZINC001336898228 1094776277 /nfs/dbraw/zinc/77/62/77/1094776277.db2.gz LKLSZFSPXYPILC-UHFFFAOYSA-N 1 1 300.362 3.021 20 5 DGBDMO O=[N+]([O-])c1ccc2c(ccnc2N[C@@H]2CC[N@H+]3CCCC[C@H]23)c1 ZINC001337735102 1095076996 /nfs/dbraw/zinc/07/69/96/1095076996.db2.gz SHLWTIYNKWNKQW-HZPDHXFCSA-N 1 1 312.373 3.182 20 5 DGBDMO CCC[N@@H+]1CCCC[C@@H]1C(=O)OCc1cccc([N+](=O)[O-])c1C ZINC001116114805 1095458748 /nfs/dbraw/zinc/45/87/48/1095458748.db2.gz CCIQRXURISHURK-MRXNPFEDSA-N 1 1 320.389 3.211 20 5 DGBDMO CCC[N@H+]1CCCC[C@@H]1C(=O)OCc1cccc([N+](=O)[O-])c1C ZINC001116114805 1095458756 /nfs/dbraw/zinc/45/87/56/1095458756.db2.gz CCIQRXURISHURK-MRXNPFEDSA-N 1 1 320.389 3.211 20 5 DGBDMO CC[N@H+]1CCC[C@H](CN[C@@H](C)c2cccc([N+](=O)[O-])c2C)C1 ZINC001116293147 1095509123 /nfs/dbraw/zinc/50/91/23/1095509123.db2.gz KMRXMAAHABXJKH-LSDHHAIUSA-N 1 1 305.422 3.286 20 5 DGBDMO C/C(=C/c1cccc([N+](=O)[O-])c1)C[N@H+]1CC[C@@H]2OCCC[C@@H]2C1 ZINC001116743382 1095646566 /nfs/dbraw/zinc/64/65/66/1095646566.db2.gz KCEJRYKDLCAHQW-XVAUXJJVSA-N 1 1 316.401 3.499 20 5 DGBDMO O=[N+]([O-])c1ccccc1-c1cnn(C[N@H+]2CCC[C@H](CF)C2)c1 ZINC001119329331 1096169287 /nfs/dbraw/zinc/16/92/87/1096169287.db2.gz LPGUGRATURCWCU-CYBMUJFWSA-N 1 1 318.352 3.097 20 5 DGBDMO CC[N@H+]1CC[C@@H](Oc2ccc(C(F)(F)F)cc2[N+](=O)[O-])C1 ZINC001225956996 1096573522 /nfs/dbraw/zinc/57/35/22/1096573522.db2.gz RZTFTMZUDIYROS-SNVBAGLBSA-N 1 1 304.268 3.087 20 5 DGBDMO CC[N@H+]1CC[C@H](Oc2cc([N+](=O)[O-])c(Cl)cc2Cl)C1 ZINC001226203217 1096636447 /nfs/dbraw/zinc/63/64/47/1096636447.db2.gz FSXDWVTXFBJBRL-QMMMGPOBSA-N 1 1 305.161 3.375 20 5 DGBDMO Cc1ccc([N+](=O)[O-])c(Cl)c1OC1CC[NH+](CCF)CC1 ZINC001226989912 1096838131 /nfs/dbraw/zinc/83/81/31/1096838131.db2.gz QBECIQJTXWVJTL-UHFFFAOYSA-N 1 1 316.760 3.369 20 5 DGBDMO CC(C)[N@H+]1CC[C@H](Oc2cc(F)c(Cl)cc2[N+](=O)[O-])C1 ZINC001227154379 1096881264 /nfs/dbraw/zinc/88/12/64/1096881264.db2.gz QQIAMCDENUEEHT-VIFPVBQESA-N 1 1 302.733 3.249 20 5 DGBDMO C[N@@H+]1[C@@H]2CC[C@H]1C[C@H](Oc1cc(F)c(Cl)cc1[N+](=O)[O-])C2 ZINC001227154834 1096882436 /nfs/dbraw/zinc/88/24/36/1096882436.db2.gz USRKTOSMGYECGC-ILWJIGKKSA-N 1 1 314.744 3.391 20 5 DGBDMO C[C@@H](c1ccccn1)[N@H+]1CC[C@@H](Oc2ccc([N+](=O)[O-])cc2)C1 ZINC001227523554 1096944401 /nfs/dbraw/zinc/94/44/01/1096944401.db2.gz MHBACFPUTHVMCF-XJKSGUPXSA-N 1 1 313.357 3.204 20 5 DGBDMO O=[N+]([O-])c1cc(Cl)c(O[C@H]2C[NH+]3CCC2CC3)cc1Cl ZINC001228153005 1097062936 /nfs/dbraw/zinc/06/29/36/1097062936.db2.gz XNEAUCCNPOHFJE-ZDUSSCGKSA-N 1 1 317.172 3.375 20 5 DGBDMO CC[N@H+]1CC[C@@H](Oc2ccc3c(c2)oc2ccccc2c3=O)C1 ZINC001228179205 1097068807 /nfs/dbraw/zinc/06/88/07/1097068807.db2.gz BOECKOFOTZXTQE-CQSZACIVSA-N 1 1 309.365 3.419 20 5 DGBDMO Cc1cc(C)c(O[C@@H]2[C@@H]3CCC[C@H]2C[N@H+](C)C3)c([N+](=O)[O-])c1 ZINC001228236656 1097079521 /nfs/dbraw/zinc/07/95/21/1097079521.db2.gz BACZMFPZHFOOEL-XOIINTDNSA-N 1 1 304.390 3.321 20 5 DGBDMO C[C@H](Oc1ccc(C(=[NH2+])NO)c(F)c1)c1ccccc1[N+](=O)[O-] ZINC001229085269 1097252167 /nfs/dbraw/zinc/25/21/67/1097252167.db2.gz YFEYPQFLKLDVJF-VIFPVBQESA-N 1 1 319.292 3.178 20 5 DGBDMO C[C@@H]1CC[N@H+]([C@@H]2CCc3ccc([N+](=O)[O-])cc3CC2)CCC1=O ZINC001172905056 1097269112 /nfs/dbraw/zinc/26/91/12/1097269112.db2.gz QIOGERXBNWTCRA-CZUORRHYSA-N 1 1 316.401 3.143 20 5 DGBDMO COC[C@H]1CCCC[N@H+]1[C@@H]1CCc2ccc([N+](=O)[O-])cc2CC1 ZINC001172906261 1097269354 /nfs/dbraw/zinc/26/93/54/1097269354.db2.gz WRXQHCUKNNJCLY-SJLPKXTDSA-N 1 1 318.417 3.343 20 5 DGBDMO C[C@]1(O)CCC[N@H+]([C@@H]2CCc3ccc([N+](=O)[O-])cc3CC2)CC1 ZINC001172907880 1097270141 /nfs/dbraw/zinc/27/01/41/1097270141.db2.gz IPHHSKAWRKZSDU-AEFFLSMTSA-N 1 1 318.417 3.079 20 5 DGBDMO CO[C@@H]1CC[N@H+]([C@@H]2CCc3ccc([N+](=O)[O-])cc3CC2)[C@@H](C)C1 ZINC001172913643 1097278168 /nfs/dbraw/zinc/27/81/68/1097278168.db2.gz SXPUSUFEESMAJZ-FDQGKXFDSA-N 1 1 318.417 3.342 20 5 DGBDMO CO[C@@H]1CCC[N@H+]([C@H]2CCc3ccc([N+](=O)[O-])cc3CC2)CC1 ZINC001172916456 1097279088 /nfs/dbraw/zinc/27/90/88/1097279088.db2.gz RVRBWNFGRQFJTD-FUHWJXTLSA-N 1 1 318.417 3.343 20 5 DGBDMO O=[N+]([O-])c1ccc2c(c1)CC[C@@H]([N@H+]1CCc3ncccc3C1)CC2 ZINC001172915516 1097279103 /nfs/dbraw/zinc/27/91/03/1097279103.db2.gz NUGRPSDCLOFLCE-KRWDZBQOSA-N 1 1 323.396 3.296 20 5 DGBDMO CC[C@@]12C[C@@H](CO1)[N@H+]([C@@H]1CCc3ccc([N+](=O)[O-])cc3CC1)C2 ZINC001172918850 1097279810 /nfs/dbraw/zinc/27/98/10/1097279810.db2.gz CRCUYXFULZECET-NJAFHUGGSA-N 1 1 316.401 3.096 20 5 DGBDMO CCO[C@@H]1CCC[N@H+]([C@@H]2CCc3ccc([N+](=O)[O-])cc3CC2)C1 ZINC001172917841 1097280371 /nfs/dbraw/zinc/28/03/71/1097280371.db2.gz XKNZPABZWJJTQP-SJLPKXTDSA-N 1 1 318.417 3.343 20 5 DGBDMO CC(C)(O)[C@@H]1CCC[N@H+]1[C@H]1CCc2ccc([N+](=O)[O-])cc2CC1 ZINC001172922592 1097281941 /nfs/dbraw/zinc/28/19/41/1097281941.db2.gz ZBMBELNOGFYLLH-RDJZCZTQSA-N 1 1 318.417 3.078 20 5 DGBDMO CC(C)[C@H]1C[N@H+]([C@@H]2CCc3ccc([N+](=O)[O-])cc3CC2)CCO1 ZINC001172912451 1097291365 /nfs/dbraw/zinc/29/13/65/1097291365.db2.gz AAVYJFHOARMLEL-SJLPKXTDSA-N 1 1 318.417 3.199 20 5 DGBDMO C[N@@H+](Cc1cccnc1)[C@H]1CCc2ccc([N+](=O)[O-])cc2CC1 ZINC001172909585 1097291408 /nfs/dbraw/zinc/29/14/08/1097291408.db2.gz TVBVYYZRJXEORH-KRWDZBQOSA-N 1 1 311.385 3.369 20 5 DGBDMO CC[C@@H]1CC[N@H+]([C@H](C)Cc2c(F)c(OC)ccc2[N+](=O)[O-])C1 ZINC001173194742 1097358926 /nfs/dbraw/zinc/35/89/26/1097358926.db2.gz ZUGIANRKYONEBT-VXGBXAGGSA-N 1 1 310.369 3.405 20 5 DGBDMO CCC(CC)[N@@H+]1CC[C@H](N[C@@H](C)Cc2ccc([N+](=O)[O-])cc2)C1 ZINC001173219280 1097370679 /nfs/dbraw/zinc/37/06/79/1097370679.db2.gz AHNVCUXQTIGPSV-HOCLYGCPSA-N 1 1 319.449 3.378 20 5 DGBDMO CCC(CC)[N@H+]1CC[C@H](N[C@@H](C)Cc2ccc([N+](=O)[O-])cc2)C1 ZINC001173219280 1097370681 /nfs/dbraw/zinc/37/06/81/1097370681.db2.gz AHNVCUXQTIGPSV-HOCLYGCPSA-N 1 1 319.449 3.378 20 5 DGBDMO CO[C@@H]1CCC[C@@H]2C[N@H+]([C@H](C)Cc3ccc([N+](=O)[O-])cc3)C[C@@H]21 ZINC001173229978 1097375844 /nfs/dbraw/zinc/37/58/44/1097375844.db2.gz YGDNZAMGWXAAPJ-LFVTVUPYSA-N 1 1 318.417 3.273 20 5 DGBDMO C[C@H](Cc1ccc([N+](=O)[O-])cc1)[N@H+]1CCC[C@@H]1c1cnccn1 ZINC001173227676 1097376078 /nfs/dbraw/zinc/37/60/78/1097376078.db2.gz SEYZHOMCCWVYMY-CXAGYDPISA-N 1 1 312.373 3.153 20 5 DGBDMO Cc1ccc(C[N@H+]2CC3(CCCC3)OC[C@@H]2C)cc1[N+](=O)[O-] ZINC001174853372 1097868546 /nfs/dbraw/zinc/86/85/46/1097868546.db2.gz JNMQFYWRVLWABH-AWEZNQCLSA-N 1 1 304.390 3.437 20 5 DGBDMO Cc1ccc(C[N@@H+]2CC3(CCCC3)OC[C@@H]2C)cc1[N+](=O)[O-] ZINC001174853372 1097868552 /nfs/dbraw/zinc/86/85/52/1097868552.db2.gz JNMQFYWRVLWABH-AWEZNQCLSA-N 1 1 304.390 3.437 20 5 DGBDMO C[C@H]1CCC[N@@H+](Cc2ccc3ccc4cccnc4c3n2)[C@H]1CO ZINC001232218288 1097970422 /nfs/dbraw/zinc/97/04/22/1097970422.db2.gz FOCHWPJTNQVUIP-KSSFIOAISA-N 1 1 321.424 3.376 20 5 DGBDMO C[C@@H]1CC[N@@H+](Cc2ccc3ccc4cccnc4c3n2)CC[C@@H]1O ZINC001232218387 1097970751 /nfs/dbraw/zinc/97/07/51/1097970751.db2.gz HQCHIRXVHVQGAS-KDOFPFPSSA-N 1 1 321.424 3.376 20 5 DGBDMO O[C@@H]1CCC[N@@H+](Cc2ccc3ccc4cccnc4c3n2)CC1 ZINC001232219389 1097971046 /nfs/dbraw/zinc/97/10/46/1097971046.db2.gz TWWSNUPHGRKXLU-QGZVFWFLSA-N 1 1 307.397 3.130 20 5 DGBDMO O[C@H]1CCCC[N@@H+](Cc2ccc3ccc4cccnc4c3n2)C1 ZINC001232219146 1097971835 /nfs/dbraw/zinc/97/18/35/1097971835.db2.gz RUTAZKLKQPYFRC-KRWDZBQOSA-N 1 1 307.397 3.130 20 5 DGBDMO C[C@@]1(O)CCC[N@@H+](Cc2ccc3ccc4cccnc4c3n2)C1 ZINC001232223661 1097972836 /nfs/dbraw/zinc/97/28/36/1097972836.db2.gz RQINOABKFWJLEH-LJQANCHMSA-N 1 1 307.397 3.130 20 5 DGBDMO CC[N@H+]1CCN(Cc2ccc3ccc4cccnc4c3n2)[C@H](C)C1 ZINC001232227188 1097974184 /nfs/dbraw/zinc/97/41/84/1097974184.db2.gz HIARJJLGHYFGHM-OAHLLOKOSA-N 1 1 320.440 3.309 20 5 DGBDMO O=[N+]([O-])c1cc(F)c(C[NH2+]C2([C@@H]3CCCO3)CCC2)c(F)c1 ZINC001176939294 1098452616 /nfs/dbraw/zinc/45/26/16/1098452616.db2.gz GJMCKWKXJHHYDI-AWEZNQCLSA-N 1 1 312.316 3.064 20 5 DGBDMO CC(C)(C)[C@H]1CC[N@H+](Cc2c(F)cccc2[N+](=O)[O-])CCO1 ZINC001176990304 1098460782 /nfs/dbraw/zinc/46/07/82/1098460782.db2.gz GTADCXAOKATWBZ-OAHLLOKOSA-N 1 1 310.369 3.371 20 5 DGBDMO CC(C)(C)[C@H]1CC[N@@H+](Cc2c(F)cccc2[N+](=O)[O-])CCO1 ZINC001176990304 1098460788 /nfs/dbraw/zinc/46/07/88/1098460788.db2.gz GTADCXAOKATWBZ-OAHLLOKOSA-N 1 1 310.369 3.371 20 5 DGBDMO Cc1cc(N2C[C@]34C[N@H+](C)C[C@@]3(C2)CCCC4)c([N+](=O)[O-])s1 ZINC001187921704 1099635379 /nfs/dbraw/zinc/63/53/79/1099635379.db2.gz YYSBFGDXHDCZGA-IYBDPMFKSA-N 1 1 321.446 3.277 20 5 DGBDMO O=[N+]([O-])c1ccccc1C[N@@H+](CCCOC(F)(F)F)C1CC1 ZINC001192388025 1100613849 /nfs/dbraw/zinc/61/38/49/1100613849.db2.gz DTXJDSTYJZCQDO-UHFFFAOYSA-N 1 1 318.295 3.486 20 5 DGBDMO C[NH2+][C@@H](C)CCNCc1ccc(-c2ccccc2[N+](=O)[O-])s1 ZINC001326075890 1103201455 /nfs/dbraw/zinc/20/14/55/1103201455.db2.gz MRIQIEMHNDQQJK-LBPRGKRZSA-N 1 1 319.430 3.411 20 5 DGBDMO O=[N+]([O-])c1ccccc1C[N@H+](CC1CCC(O)CC1)C1CC1 ZINC001327554932 1103681789 /nfs/dbraw/zinc/68/17/89/1103681789.db2.gz PDDVXFYCYDAOFZ-UHFFFAOYSA-N 1 1 304.390 3.110 20 5 DGBDMO C[C@@H](NCCC1CC[NH+](C)CC1)c1c(F)cccc1[N+](=O)[O-] ZINC001329643396 1104358327 /nfs/dbraw/zinc/35/83/27/1104358327.db2.gz OEMAXGMWIJGANF-GFCCVEGCSA-N 1 1 309.385 3.116 20 5 DGBDMO CC(C)C[N@H+]([C@@H](C)Cc1ccccc1[N+](=O)[O-])[C@@H]1CCCNC1 ZINC001246954418 1104752368 /nfs/dbraw/zinc/75/23/68/1104752368.db2.gz ZITDXTWCEOWNDB-DOTOQJQBSA-N 1 1 319.449 3.236 20 5 DGBDMO CC(C)C[N@@H+]([C@@H](C)Cc1ccccc1[N+](=O)[O-])[C@@H]1CCCNC1 ZINC001246954418 1104752372 /nfs/dbraw/zinc/75/23/72/1104752372.db2.gz ZITDXTWCEOWNDB-DOTOQJQBSA-N 1 1 319.449 3.236 20 5 DGBDMO C[NH+](C)Cc1ccc2nc(-c3ccc([N+](=O)[O-])s3)[nH]c2c1 ZINC001250896685 1105601853 /nfs/dbraw/zinc/60/18/53/1105601853.db2.gz NGXUYDLAHHBIFW-UHFFFAOYSA-N 1 1 302.359 3.261 20 5 DGBDMO Cc1[nH]c(-c2nc3ccc(C[NH+](C)C)cc3[nH]2)c(C)c1[N+](=O)[O-] ZINC001251802736 1105697876 /nfs/dbraw/zinc/69/78/76/1105697876.db2.gz UNWDXCZYTHNILB-UHFFFAOYSA-N 1 1 313.361 3.145 20 5 DGBDMO Cc1cc(NC(=O)c2cc3cc([N+](=O)[O-])ccc3o2)cc(C)[nH+]1 ZINC001254231663 1106041513 /nfs/dbraw/zinc/04/15/13/1106041513.db2.gz XLFWYROAOYQSAI-UHFFFAOYSA-N 1 1 311.297 3.027 20 5 DGBDMO CCCC[N@H+](CC)CCN[C@@H](C)Cc1ccccc1[N+](=O)[O-] ZINC001254535376 1106098374 /nfs/dbraw/zinc/09/83/74/1106098374.db2.gz IVDLCJSMOCRLSG-HNNXBMFYSA-N 1 1 307.438 3.237 20 5 DGBDMO CCCC[N@@H+](CC)CCN[C@@H](C)Cc1ccccc1[N+](=O)[O-] ZINC001254535376 1106098376 /nfs/dbraw/zinc/09/83/76/1106098376.db2.gz IVDLCJSMOCRLSG-HNNXBMFYSA-N 1 1 307.438 3.237 20 5 DGBDMO C[C@H](Cc1ccccc1[N+](=O)[O-])n1cc(CC[NH3+])c2cnccc21 ZINC001254545819 1106100773 /nfs/dbraw/zinc/10/07/73/1106100773.db2.gz DBOSTZKOUNGNTL-CYBMUJFWSA-N 1 1 324.384 3.249 20 5 DGBDMO C[C@H](Cc1ccccc1[N+](=O)[O-])[N@H+]1CC[C@H](C)[C@](C)(O)CC1 ZINC001254551855 1106101162 /nfs/dbraw/zinc/10/11/62/1106101162.db2.gz GKRHRNBCUJGBOV-JJRVBVJISA-N 1 1 306.406 3.009 20 5 DGBDMO C[C@H](Cc1ccccc1[N+](=O)[O-])[N@H+]1CC[C@H]2CCCO[C@@H]2C1 ZINC001254551697 1106101306 /nfs/dbraw/zinc/10/13/06/1106101306.db2.gz DHWJCFBNGLEQCI-CKEIUWERSA-N 1 1 304.390 3.027 20 5 DGBDMO CO[C@@H]1CCC[C@@H]2C[N@H+]([C@H](C)Cc3ccccc3[N+](=O)[O-])C[C@@H]21 ZINC001254556412 1106103455 /nfs/dbraw/zinc/10/34/55/1106103455.db2.gz KVTXMSILOWPRIY-NYCLONFESA-N 1 1 318.417 3.273 20 5 DGBDMO C[C@@H](Cc1ccccc1[N+](=O)[O-])[N@H+]1CC[C@H](c2ccccn2)C1 ZINC001254562362 1106104249 /nfs/dbraw/zinc/10/42/49/1106104249.db2.gz KXCDXWXAWKVNBR-HOCLYGCPSA-N 1 1 311.385 3.410 20 5 DGBDMO C[C@H](Cc1ccccc1[N+](=O)[O-])[N@H+]1CCOc2ccccc2C1 ZINC001254562504 1106104354 /nfs/dbraw/zinc/10/43/54/1106104354.db2.gz MJHYKHVALUDLRL-CQSZACIVSA-N 1 1 312.369 3.420 20 5 DGBDMO COc1ccccc1C[N@@H+](C)[C@H]1Cc2ccc([N+](=O)[O-])cc2C1 ZINC001254600460 1106110700 /nfs/dbraw/zinc/11/07/00/1106110700.db2.gz PXVUANPWONINKF-KRWDZBQOSA-N 1 1 312.369 3.203 20 5 DGBDMO C[N@@H+](Cc1cccc(F)c1)[C@H]1Cc2ccc([N+](=O)[O-])cc2C1 ZINC001254600665 1106110979 /nfs/dbraw/zinc/11/09/79/1106110979.db2.gz UTGSOXJUZPYRIL-KRWDZBQOSA-N 1 1 300.333 3.333 20 5 DGBDMO O=[N+]([O-])c1ccc2c(c1)C[C@H]([N@H+]1CCc3ccc(F)cc3C1)C2 ZINC001254604768 1106111814 /nfs/dbraw/zinc/11/18/14/1106111814.db2.gz XNAYPJDAWPWGNM-GOSISDBHSA-N 1 1 312.344 3.259 20 5 DGBDMO C[N@@H+](Cc1cccc(F)c1F)[C@@H]1Cc2ccc([N+](=O)[O-])cc2C1 ZINC001254608700 1106112497 /nfs/dbraw/zinc/11/24/97/1106112497.db2.gz SJMZUPNGECWHNN-OAHLLOKOSA-N 1 1 318.323 3.472 20 5 DGBDMO CC1(C)C[N@H+](Cc2nc(-c3ccc([N+](=O)[O-])cc3)no2)C1(C)C ZINC001319995577 1106772345 /nfs/dbraw/zinc/77/23/45/1106772345.db2.gz MULKKVLNMOSNJP-UHFFFAOYSA-N 1 1 316.361 3.265 20 5 DGBDMO CC1(C)C[N@@H+](Cc2nc(-c3ccc([N+](=O)[O-])cc3)no2)C1(C)C ZINC001319995577 1106772359 /nfs/dbraw/zinc/77/23/59/1106772359.db2.gz MULKKVLNMOSNJP-UHFFFAOYSA-N 1 1 316.361 3.265 20 5 DGBDMO COc1cc([N+](=O)[O-])ccc1C[N@@H+](C)[C@@H]1CC[C@@H](SC)C1 ZINC001321144284 1107264252 /nfs/dbraw/zinc/26/42/52/1107264252.db2.gz VDENMCHRMYWOGD-TZMCWYRMSA-N 1 1 310.419 3.319 20 5 DGBDMO COc1ccc(C[N@@H+](C)[C@@H]2CC[C@@H](SC)C2)cc1[N+](=O)[O-] ZINC001322159155 1107548898 /nfs/dbraw/zinc/54/88/98/1107548898.db2.gz PSPICECDFCBDLB-CHWSQXEVSA-N 1 1 310.419 3.319 20 5 DGBDMO Cc1cncc([N+](=O)[O-])c1N1CCC[C@@H]([N@@H+]2[C@H](C)CC[C@@H]2C)C1 ZINC001322417674 1107668673 /nfs/dbraw/zinc/66/86/73/1107668673.db2.gz ZRRNQPTWPQDXIF-QLFBSQMISA-N 1 1 318.421 3.140 20 5 DGBDMO O=[N+]([O-])c1ccc2c(c1)C[N@@H+](Cc1ccc3c(c1)COC3)CC2 ZINC001323538143 1108005142 /nfs/dbraw/zinc/00/51/42/1108005142.db2.gz XNKJJGWYNGBHOU-UHFFFAOYSA-N 1 1 310.353 3.183 20 5 DGBDMO O=[N+]([O-])c1ccc2c(c1)C[N@H+](Cc1ccc3c(c1)COC3)CC2 ZINC001323538143 1108005148 /nfs/dbraw/zinc/00/51/48/1108005148.db2.gz XNKJJGWYNGBHOU-UHFFFAOYSA-N 1 1 310.353 3.183 20 5 DGBDMO CS[C@H]1CC[C@H]([N@@H+](C)Cn2ncc3ccc([N+](=O)[O-])cc32)C1 ZINC001318763984 1108188952 /nfs/dbraw/zinc/18/89/52/1108188952.db2.gz DNMKRKNOLNRFGN-JSGCOSHPSA-N 1 1 320.418 3.118 20 5 DGBDMO O=[N+]([O-])c1ccccc1N1C[C@@H]2C[C@H]1C[N@H+]2Cc1ccccc1 ZINC001307178130 1111275471 /nfs/dbraw/zinc/27/54/71/1111275471.db2.gz RIUDURLMKUMHOS-HOTGVXAUSA-N 1 1 309.369 3.058 20 5 DGBDMO C[C@H]1C[N@@H+](Cc2cc([N+](=O)[O-])ccc2Br)C[C@H]1C ZINC001307488537 1111305395 /nfs/dbraw/zinc/30/53/95/1111305395.db2.gz CODXKGLXMGMLPB-AOOOYVTPSA-N 1 1 313.195 3.445 20 5 DGBDMO C[C@@]1(Cc2ccccc2C(F)(F)F)CCC[N@@H+]1CC[N+](=O)[O-] ZINC001307949380 1111359341 /nfs/dbraw/zinc/35/93/41/1111359341.db2.gz UHSYFYBIDSPPTD-AWEZNQCLSA-N 1 1 316.323 3.379 20 5 DGBDMO C[C@@]1(Cc2ccccc2C(F)(F)F)CCC[N@H+]1CC[N+](=O)[O-] ZINC001307949380 1111359342 /nfs/dbraw/zinc/35/93/42/1111359342.db2.gz UHSYFYBIDSPPTD-AWEZNQCLSA-N 1 1 316.323 3.379 20 5 DGBDMO CCC[C@@H]1CCC[N@H+]1CC(=O)Nc1cc([N+](=O)[O-])ccc1C ZINC001308134904 1111382328 /nfs/dbraw/zinc/38/23/28/1111382328.db2.gz QJMIFGMOPBLUCD-CYBMUJFWSA-N 1 1 305.378 3.106 20 5 DGBDMO Cc1ccc([N+](=O)[O-])c(C)c1CNC[C@@H](C)[N@@H+]1CCC[C@@H](C)C1 ZINC001308200035 1111396588 /nfs/dbraw/zinc/39/65/88/1111396588.db2.gz RVKGOXVXXMWGKL-UKRRQHHQSA-N 1 1 319.449 3.422 20 5 DGBDMO Cc1ccc([N+](=O)[O-])c(C)c1CNC[C@@H](C)[N@H+]1CCC[C@@H](C)C1 ZINC001308200035 1111396591 /nfs/dbraw/zinc/39/65/91/1111396591.db2.gz RVKGOXVXXMWGKL-UKRRQHHQSA-N 1 1 319.449 3.422 20 5 DGBDMO CCn1cnc(Cl)c1C[NH2+][C@@H](C)c1cccc([N+](=O)[O-])c1 ZINC001308207541 1111398042 /nfs/dbraw/zinc/39/80/42/1111398042.db2.gz CZWCEWWZQPPJDU-JTQLQIEISA-N 1 1 308.769 3.315 20 5 DGBDMO CCOC1CC(C[N@@H+](Cc2cccc([N+](=O)[O-])c2)C2CC2)C1 ZINC000286539865 219044403 /nfs/dbraw/zinc/04/44/03/219044403.db2.gz UHBIXCHPUPICGK-UHFFFAOYSA-N 1 1 304.390 3.374 20 5 DGBDMO C[C@H]1C[C@@H](Nc2ccnc3c2cccc3[N+](=O)[O-])CC[N@H+]1C ZINC000317733368 231163744 /nfs/dbraw/zinc/16/37/44/231163744.db2.gz ROOXVVUISKUKLG-RYUDHWBXSA-N 1 1 300.362 3.038 20 5 DGBDMO C[NH+](C)[C@H](CN[C@@H]1CCCCc2ccc([N+](=O)[O-])cc21)C1CC1 ZINC000417345107 282247697 /nfs/dbraw/zinc/24/76/97/282247697.db2.gz SZXQXAMBDPGBRH-QZTJIDSGSA-N 1 1 317.433 3.292 20 5 DGBDMO CCOc1ccc([N+](=O)[O-])cc1C[N@@H+](C)CCc1ccncc1 ZINC000181472725 199302141 /nfs/dbraw/zinc/30/21/41/199302141.db2.gz JWAHLVGZOFQYNE-UHFFFAOYSA-N 1 1 315.373 3.063 20 5 DGBDMO C[N@@H+](CCC(=O)Nc1ccc([N+](=O)[O-])cc1)C(C1CC1)C1CC1 ZINC000411216751 529871603 /nfs/dbraw/zinc/87/16/03/529871603.db2.gz FPLOMUWBGKQXOO-UHFFFAOYSA-N 1 1 317.389 3.044 20 5 DGBDMO Cc1ccnc(N[C@@H](C)[C@H]2CCC[N@H+](C3CCC3)C2)c1[N+](=O)[O-] ZINC000272660622 210063820 /nfs/dbraw/zinc/06/38/20/210063820.db2.gz BUWMEZVUVTZISK-KBPBESRZSA-N 1 1 318.421 3.363 20 5 DGBDMO CC(C)C[C@@H]1CCC[N@H+]1CC(=O)Nc1ccccc1[N+](=O)[O-] ZINC000130359299 432021785 /nfs/dbraw/zinc/02/17/85/432021785.db2.gz OVFWMWNXQRIHBB-ZDUSSCGKSA-N 1 1 305.378 3.044 20 5 DGBDMO Cc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@H+](C)C1CCCC1 ZINC000150322394 186056910 /nfs/dbraw/zinc/05/69/10/186056910.db2.gz JJNYHGZXQJPJRN-UHFFFAOYSA-N 1 1 305.378 3.106 20 5 DGBDMO Cc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@@H+]1[C@H](C)CCC[C@@H]1C ZINC000072697405 191215627 /nfs/dbraw/zinc/21/56/27/191215627.db2.gz XVUGROPKMQQLPE-OKILXGFUSA-N 1 1 319.405 3.495 20 5 DGBDMO CC(C)C1CC[NH+]([C@H](C)C(=O)Nc2ccccc2[N+](=O)[O-])CC1 ZINC000072717334 191220632 /nfs/dbraw/zinc/22/06/32/191220632.db2.gz IRIOPKDBFHOPTH-CYBMUJFWSA-N 1 1 319.405 3.290 20 5 DGBDMO Cc1ccc([C@H](O)C[N@H+](C)Cc2ccccc2[N+](=O)[O-])cc1 ZINC000174724863 198376230 /nfs/dbraw/zinc/37/62/30/198376230.db2.gz PMGZEOGBUACHRC-QGZVFWFLSA-N 1 1 300.358 3.069 20 5 DGBDMO Cc1cc(C)c(C[N@@H+]2CCc3ncc([N+](=O)[O-])cc3C2)c(C)c1 ZINC000332534306 235065858 /nfs/dbraw/zinc/06/58/58/235065858.db2.gz UGSWLWGQARHXMX-UHFFFAOYSA-N 1 1 311.385 3.473 20 5 DGBDMO Cc1cc(C)c(C[N@H+]2CCc3ncc([N+](=O)[O-])cc3C2)c(C)c1 ZINC000332534306 235065860 /nfs/dbraw/zinc/06/58/60/235065860.db2.gz UGSWLWGQARHXMX-UHFFFAOYSA-N 1 1 311.385 3.473 20 5 DGBDMO Cc1cccc(NCCNc2ccc3ncccc3c2[N+](=O)[O-])[nH+]1 ZINC000074277615 191352542 /nfs/dbraw/zinc/35/25/42/191352542.db2.gz GTCKDPXKARITOU-UHFFFAOYSA-N 1 1 323.356 3.370 20 5 DGBDMO CC[C@@H](C)[N@@H+](C)Cc1cn(C)nc1-c1ccc([N+](=O)[O-])cc1 ZINC000179322530 432054108 /nfs/dbraw/zinc/05/41/08/432054108.db2.gz ZQQRXKOXVJOROY-GFCCVEGCSA-N 1 1 302.378 3.226 20 5 DGBDMO O=[N+]([O-])c1cccc(OCC[N@@H+](Cc2ccccn2)C2CC2)c1 ZINC000180862480 199220248 /nfs/dbraw/zinc/22/02/48/199220248.db2.gz QTAKCVFCJRIVEC-UHFFFAOYSA-N 1 1 313.357 3.033 20 5 DGBDMO C[C@@H]1CCCC[N@@H+](CCC(=O)Nc2ccc([N+](=O)[O-])cc2)C1 ZINC000187936698 200179114 /nfs/dbraw/zinc/17/91/14/200179114.db2.gz XCTWKAWCDNJRTM-CYBMUJFWSA-N 1 1 305.378 3.045 20 5 DGBDMO C[C@H]1CCCC[N@@H+](CCC(=O)Nc2ccc([N+](=O)[O-])cc2)C1 ZINC000187936725 200179384 /nfs/dbraw/zinc/17/93/84/200179384.db2.gz XCTWKAWCDNJRTM-ZDUSSCGKSA-N 1 1 305.378 3.045 20 5 DGBDMO C[C@@H](C(=O)Nc1ccccc1[N+](=O)[O-])[N@H+]1CCCC[C@H](C)C1 ZINC000187918768 200176352 /nfs/dbraw/zinc/17/63/52/200176352.db2.gz YAYILPBVFDFVRY-STQMWFEESA-N 1 1 305.378 3.044 20 5 DGBDMO O=[N+]([O-])c1cccc(CN2CC[C@@H]3[C@H](CCC[N@H+]3C3CC3)C2)c1 ZINC000134918890 432089469 /nfs/dbraw/zinc/08/94/69/432089469.db2.gz VWFMVXIRXDYJLF-CRAIPNDOSA-N 1 1 315.417 3.044 20 5 DGBDMO C[C@H](c1cccc([N+](=O)[O-])c1)N1CC[N@H+]([C@@H]2C[C@H]2C)C[C@H](C)C1 ZINC000429014869 238038685 /nfs/dbraw/zinc/03/86/85/238038685.db2.gz ZNLCVQBYHIQKOP-ATNYBXOESA-N 1 1 317.433 3.318 20 5 DGBDMO COCC[N@@H+](Cc1cccc([N+](=O)[O-])c1C)[C@@H]1CCCSC1 ZINC000433188126 238149720 /nfs/dbraw/zinc/14/97/20/238149720.db2.gz LJPRBYNHBQDEGU-OAHLLOKOSA-N 1 1 324.446 3.247 20 5 DGBDMO COCc1cc([N+](=O)[O-])ccc1NC[C@H]1CCCC[N@H+]1C1CC1 ZINC000433804909 238168180 /nfs/dbraw/zinc/16/81/80/238168180.db2.gz SIZOZBZCEYWKRU-MRXNPFEDSA-N 1 1 319.405 3.170 20 5 DGBDMO O=[N+]([O-])c1cccc(CNC[C@H]2CCC[N@H+]2C2CCCCC2)c1 ZINC000435726735 238341062 /nfs/dbraw/zinc/34/10/62/238341062.db2.gz RLKLMUIHBBCUFA-GOSISDBHSA-N 1 1 317.433 3.482 20 5 DGBDMO COc1ccc(C[N@H+](Cc2cccc([N+](=O)[O-])c2)C2CC2)nc1 ZINC000271885355 209295844 /nfs/dbraw/zinc/29/58/44/209295844.db2.gz CTRLHEDCKPPEGI-UHFFFAOYSA-N 1 1 313.357 3.163 20 5 DGBDMO COc1ccc(C[N@@H+](Cc2cccc([N+](=O)[O-])c2)C2CC2)nc1 ZINC000271885355 209295849 /nfs/dbraw/zinc/29/58/49/209295849.db2.gz CTRLHEDCKPPEGI-UHFFFAOYSA-N 1 1 313.357 3.163 20 5 DGBDMO C[C@H]1C[C@@H](O)CC[N@H+]1Cc1ccc(-c2cccc([N+](=O)[O-])c2)o1 ZINC000292807148 223254672 /nfs/dbraw/zinc/25/46/72/223254672.db2.gz OHBOYKDORDMIKB-WFASDCNBSA-N 1 1 316.357 3.200 20 5 DGBDMO COc1ccc(OCC[N@@H+](C)[C@@H]2CCC[C@H](C)C2)c([N+](=O)[O-])c1 ZINC000441184689 239019359 /nfs/dbraw/zinc/01/93/59/239019359.db2.gz WQEAYPCATBGIOS-UONOGXRCSA-N 1 1 322.405 3.493 20 5 DGBDMO COc1ccc(OCC[N@H+]2CCCC[C@@H]2C(C)C)c([N+](=O)[O-])c1 ZINC000441387335 239046381 /nfs/dbraw/zinc/04/63/81/239046381.db2.gz VVGPXWBBMCGKRC-OAHLLOKOSA-N 1 1 322.405 3.493 20 5 DGBDMO COc1ccc(OCC[N@H+]2CCC[C@@H]2CC(C)C)c([N+](=O)[O-])c1 ZINC000441522536 239059690 /nfs/dbraw/zinc/05/96/90/239059690.db2.gz JWRAVNREXGAYHR-CQSZACIVSA-N 1 1 322.405 3.493 20 5 DGBDMO Cc1cc([N+](=O)[O-])ccc1NC(=O)C[N@@H+]1CC[C@@H](C)C[C@@H](C)C1 ZINC000443643991 239223866 /nfs/dbraw/zinc/22/38/66/239223866.db2.gz WSZFEAOTICWOPB-CHWSQXEVSA-N 1 1 319.405 3.210 20 5 DGBDMO C[C@@H]1C[N@@H+](Cc2nc3cc([N+](=O)[O-])ccc3[nH]2)[C@@H]2CCCC[C@H]21 ZINC000444684376 239323139 /nfs/dbraw/zinc/32/31/39/239323139.db2.gz MDGLHYFJBKFJFG-PVXIVEMSSA-N 1 1 314.389 3.482 20 5 DGBDMO CCO[C@@H]1CC[N@@H+](C/C=C\c2ccccc2[N+](=O)[O-])C[C@H]1C ZINC000449493525 240243968 /nfs/dbraw/zinc/24/39/68/240243968.db2.gz LOOXNOSRSGQVKM-WLTZEOLESA-N 1 1 304.390 3.355 20 5 DGBDMO O=[N+]([O-])c1ccc(C[N@H+]2CC[C@@H]3C[C@H](O)CC[C@@H]3C2)c(Cl)c1 ZINC000449557542 240287241 /nfs/dbraw/zinc/28/72/41/240287241.db2.gz UYVDZQGDSCBTAC-LALPHHSUSA-N 1 1 324.808 3.231 20 5 DGBDMO Cc1ccnc(C[N@@H+]2CCC[C@@H](c3ccc([N+](=O)[O-])cc3)C2)n1 ZINC000451542874 241164652 /nfs/dbraw/zinc/16/46/52/241164652.db2.gz AMZACCSOMFHOKS-OAHLLOKOSA-N 1 1 312.373 3.073 20 5 DGBDMO Cc1ccnc(C[N@H+]2CCC[C@@H](c3ccc([N+](=O)[O-])cc3)C2)n1 ZINC000451542874 241164656 /nfs/dbraw/zinc/16/46/56/241164656.db2.gz AMZACCSOMFHOKS-OAHLLOKOSA-N 1 1 312.373 3.073 20 5 DGBDMO O=[N+]([O-])c1ccc([C@@H]2CCC[N@@H+](C[C@H]3CCCCO3)C2)cc1 ZINC000451559591 241175842 /nfs/dbraw/zinc/17/58/42/241175842.db2.gz HHKWTVDJBMPVLV-NVXWUHKLSA-N 1 1 304.390 3.343 20 5 DGBDMO C[C@H](c1ccccc1[N+](=O)[O-])[N@H+]1CC[C@@H]2C[C@H](O)CC[C@@H]2C1 ZINC000451696301 241208632 /nfs/dbraw/zinc/20/86/32/241208632.db2.gz PHHOTXOSFRRAPA-KBUPBQIOSA-N 1 1 304.390 3.139 20 5 DGBDMO CCOc1cc(C[N@@H+](C)[C@H](CO)CC(C)(C)C)ccc1[N+](=O)[O-] ZINC000451789598 241234773 /nfs/dbraw/zinc/23/47/73/241234773.db2.gz MNTFCVIHIYKXMK-AWEZNQCLSA-N 1 1 324.421 3.222 20 5 DGBDMO CC(C)CC[C@@H]1CCC[N@H+]1Cc1ccc(C(N)=O)cc1[N+](=O)[O-] ZINC000135305465 432110779 /nfs/dbraw/zinc/11/07/79/432110779.db2.gz QZHMKKCKZLSRTC-HNNXBMFYSA-N 1 1 319.405 3.094 20 5 DGBDMO CCC[C@H](C)[C@H]1CCC[N@H+]1Cc1ccc(C(N)=O)cc1[N+](=O)[O-] ZINC000135328619 432112290 /nfs/dbraw/zinc/11/22/90/432112290.db2.gz GWMKRKJBBZIFNC-SWLSCSKDSA-N 1 1 319.405 3.094 20 5 DGBDMO CC(C)CO[C@@H]1CC[N@@H+](C/C=C/c2ccccc2[N+](=O)[O-])C1 ZINC000091964174 284004283 /nfs/dbraw/zinc/00/42/83/284004283.db2.gz VASZFHLIXZYZDH-BIENSFFJSA-N 1 1 304.390 3.355 20 5 DGBDMO CC(C)CO[C@H]1CC[N@@H+](C/C=C/c2ccccc2[N+](=O)[O-])C1 ZINC000091964175 284004366 /nfs/dbraw/zinc/00/43/66/284004366.db2.gz VASZFHLIXZYZDH-YERXGYGTSA-N 1 1 304.390 3.355 20 5 DGBDMO COC(=O)C[N@H+](C/C=C/c1ccccc1[N+](=O)[O-])C1CCCC1 ZINC000093707369 284014235 /nfs/dbraw/zinc/01/42/35/284014235.db2.gz BSPUNEVJRYWCTO-SOFGYWHQSA-N 1 1 318.373 3.026 20 5 DGBDMO COC(=O)C[N@@H+](C/C=C/c1ccccc1[N+](=O)[O-])C1CCCC1 ZINC000093707369 284014240 /nfs/dbraw/zinc/01/42/40/284014240.db2.gz BSPUNEVJRYWCTO-SOFGYWHQSA-N 1 1 318.373 3.026 20 5 DGBDMO CC[N@@H+](C)C[C@@H]1CCN(Cc2ccc(C(C)C)c([N+](=O)[O-])c2)C1 ZINC000093770369 284014440 /nfs/dbraw/zinc/01/44/40/284014440.db2.gz YOMNMAICXYYTPF-INIZCTEOSA-N 1 1 319.449 3.492 20 5 DGBDMO CC(C)Oc1ccc([N+](=O)[O-])cc1C[N@H+]1CCCC[C@@H]1[C@H](C)O ZINC000246300811 432116464 /nfs/dbraw/zinc/11/64/64/432116464.db2.gz DRJUORFXDKTCCP-XJKSGUPXSA-N 1 1 322.405 3.117 20 5 DGBDMO C[N@@H+](CCOc1cc(F)cc([N+](=O)[O-])c1)Cc1ccc(F)cc1 ZINC000468398797 244038322 /nfs/dbraw/zinc/03/83/22/244038322.db2.gz DLNXCLCGYHWUEJ-UHFFFAOYSA-N 1 1 322.311 3.384 20 5 DGBDMO CC[C@@H]1C[N@H+](C/C(C)=C/c2cccc([N+](=O)[O-])c2)C[C@@H](C)O1 ZINC000470179938 244155970 /nfs/dbraw/zinc/15/59/70/244155970.db2.gz FOJWMYSWUUXDNG-ZHUXKPRYSA-N 1 1 304.390 3.497 20 5 DGBDMO CC[C@@H]1C[N@@H+](C/C(C)=C/c2cccc([N+](=O)[O-])c2)C[C@@H](C)O1 ZINC000470179938 244155973 /nfs/dbraw/zinc/15/59/73/244155973.db2.gz FOJWMYSWUUXDNG-ZHUXKPRYSA-N 1 1 304.390 3.497 20 5 DGBDMO O=[N+]([O-])c1cccc(Cl)c1C[N@@H+]1CCC[C@@H](n2cccn2)C1 ZINC000118945971 284130127 /nfs/dbraw/zinc/13/01/27/284130127.db2.gz SHKXYLCXMREFBH-GFCCVEGCSA-N 1 1 320.780 3.282 20 5 DGBDMO O=[N+]([O-])c1cccc(Cl)c1C[N@H+]1CCC[C@@H](n2cccn2)C1 ZINC000118945971 284130131 /nfs/dbraw/zinc/13/01/31/284130131.db2.gz SHKXYLCXMREFBH-GFCCVEGCSA-N 1 1 320.780 3.282 20 5 DGBDMO CCOC[C@H]1CCC[N@H+](Cc2c(Cl)cccc2[N+](=O)[O-])C1 ZINC000119124566 284135245 /nfs/dbraw/zinc/13/52/45/284135245.db2.gz WLAXZFXZGSRUOS-LBPRGKRZSA-N 1 1 312.797 3.497 20 5 DGBDMO CCOC[C@H]1CCC[N@@H+](Cc2c(Cl)cccc2[N+](=O)[O-])C1 ZINC000119124566 284135247 /nfs/dbraw/zinc/13/52/47/284135247.db2.gz WLAXZFXZGSRUOS-LBPRGKRZSA-N 1 1 312.797 3.497 20 5 DGBDMO CCOc1cc(N(C)CCCn2cc[nH+]c2C)ccc1[N+](=O)[O-] ZINC000120193059 284163036 /nfs/dbraw/zinc/16/30/36/284163036.db2.gz RDYMAKQKQBMCKM-UHFFFAOYSA-N 1 1 318.377 3.025 20 5 DGBDMO C[C@@H](CCO)[N@@H+](Cc1ccccc1)Cc1ccc([N+](=O)[O-])cc1 ZINC000093303940 193226589 /nfs/dbraw/zinc/22/65/89/193226589.db2.gz FJHZRMNWMZVYEB-HNNXBMFYSA-N 1 1 314.385 3.368 20 5 DGBDMO COCC[N@@H+](Cc1ccc([N+](=O)[O-])cc1F)[C@H]1CCC[C@@H]1C ZINC000488059535 245140796 /nfs/dbraw/zinc/14/07/96/245140796.db2.gz BYILMPXJJSMNBS-LRDDRELGSA-N 1 1 310.369 3.371 20 5 DGBDMO COCC[N@@H+](CCOc1ccccc1[N+](=O)[O-])[C@H]1CCC[C@@H]1C ZINC000488070312 245142282 /nfs/dbraw/zinc/14/22/82/245142282.db2.gz GCKPPHRFHKJFHW-GJZGRUSLSA-N 1 1 322.405 3.111 20 5 DGBDMO CCC1CCC([N@@H+](CCO)Cc2ccc([N+](=O)[O-])cc2F)CC1 ZINC000488229991 245164652 /nfs/dbraw/zinc/16/46/52/245164652.db2.gz HSZQYPJMESEJRE-UHFFFAOYSA-N 1 1 324.396 3.497 20 5 DGBDMO Cc1c(C[N@@H+](CCO)Cc2cccc(F)c2)cccc1[N+](=O)[O-] ZINC000494253008 246127722 /nfs/dbraw/zinc/12/77/22/246127722.db2.gz DGDAEPKJOOBGQN-UHFFFAOYSA-N 1 1 318.348 3.037 20 5 DGBDMO Cc1ccc([C@H](C)N[C@H]2CC[N@H+]3CCCC[C@H]23)cc1[N+](=O)[O-] ZINC000268799191 432136353 /nfs/dbraw/zinc/13/63/53/432136353.db2.gz XVQTXAOJKTXCFY-CWRNSKLLSA-N 1 1 303.406 3.181 20 5 DGBDMO Cc1ccc([C@H](C)[NH2+][C@H]2CCN3CCCC[C@H]23)cc1[N+](=O)[O-] ZINC000268799191 432136357 /nfs/dbraw/zinc/13/63/57/432136357.db2.gz XVQTXAOJKTXCFY-CWRNSKLLSA-N 1 1 303.406 3.181 20 5 DGBDMO Cc1ccc2nc(C[N@@H+](C)CCc3ccccc3[N+](=O)[O-])cn2c1 ZINC000285316861 218378920 /nfs/dbraw/zinc/37/89/20/218378920.db2.gz MPCQXWMGVJGZFP-UHFFFAOYSA-N 1 1 324.384 3.225 20 5 DGBDMO Cc1cc([N+](=O)[O-])cnc1NCCC[N@H+](C)Cc1ccccc1 ZINC000110041011 194305242 /nfs/dbraw/zinc/30/52/42/194305242.db2.gz GUIRGFFBVBBSLB-UHFFFAOYSA-N 1 1 314.389 3.232 20 5 DGBDMO C[C@H]1C[C@@H](Nc2ccc3ncccc3c2[N+](=O)[O-])CC[N@H+]1C ZINC000336853769 253008122 /nfs/dbraw/zinc/00/81/22/253008122.db2.gz JWIAJVROKPJFSW-RYUDHWBXSA-N 1 1 300.362 3.038 20 5 DGBDMO C[C@H](C1CCC1)[N@@H+](C)CCC(=O)Nc1ccccc1[N+](=O)[O-] ZINC000337305961 253083156 /nfs/dbraw/zinc/08/31/56/253083156.db2.gz ULHYCPHLSHCELS-GFCCVEGCSA-N 1 1 305.378 3.044 20 5 DGBDMO C[C@@H]1C[N@@H+](Cc2ccc(-c3ccccc3[N+](=O)[O-])o2)CC[C@H]1O ZINC000249884508 285090468 /nfs/dbraw/zinc/09/04/68/285090468.db2.gz IAHXVWCILFKLMX-MLGOLLRUSA-N 1 1 316.357 3.058 20 5 DGBDMO CC[C@@H](C)[N@@H+](C)CCNC(=O)Nc1cc([N+](=O)[O-])c(C)cc1C ZINC000120191603 195115630 /nfs/dbraw/zinc/11/56/30/195115630.db2.gz PHCFLSTZTXNEPJ-CYBMUJFWSA-N 1 1 322.409 3.063 20 5 DGBDMO O=[N+]([O-])c1ccc(C[N@@H+]2C[C@H](O)C[C@H]2c2ccccc2)c(F)c1 ZINC000411959562 285114112 /nfs/dbraw/zinc/11/41/12/285114112.db2.gz YHRYZHOHAMPRTB-WBVHZDCISA-N 1 1 316.332 3.042 20 5 DGBDMO O=[N+]([O-])c1ccc(C[N@H+]2C[C@H](O)C[C@H]2c2ccccc2)c(F)c1 ZINC000411959562 285114115 /nfs/dbraw/zinc/11/41/15/285114115.db2.gz YHRYZHOHAMPRTB-WBVHZDCISA-N 1 1 316.332 3.042 20 5 DGBDMO Cc1ccc([N+](=O)[O-])c(N[C@H](C)[C@@H]2CCC[N@H+](C3CCC3)C2)n1 ZINC000272990150 210371397 /nfs/dbraw/zinc/37/13/97/210371397.db2.gz QABOVYGXENTBLP-ZIAGYGMSSA-N 1 1 318.421 3.363 20 5 DGBDMO Cc1ccc([N+](=O)[O-])c(N[C@@H](C)[C@H]2CCC[N@H+](C3CCC3)C2)n1 ZINC000272990147 210370898 /nfs/dbraw/zinc/37/08/98/210370898.db2.gz QABOVYGXENTBLP-KBPBESRZSA-N 1 1 318.421 3.363 20 5 DGBDMO Cc1ccc([N+](=O)[O-])c(N[C@@H](C)[C@@H]2CCC[N@H+](C3CCC3)C2)n1 ZINC000272990149 210370582 /nfs/dbraw/zinc/37/05/82/210370582.db2.gz QABOVYGXENTBLP-UONOGXRCSA-N 1 1 318.421 3.363 20 5 DGBDMO CN(CCCc1ccccc1)Cc1cc([O-])ccc1[N+](=O)[O-] ZINC000338906584 253367017 /nfs/dbraw/zinc/36/70/17/253367017.db2.gz WMQFFSVJKVQXTR-UHFFFAOYSA-N 1 1 300.358 3.365 20 5 DGBDMO O=[N+]([O-])c1cccc(F)c1N1CC[C@@H]2[C@H](CCC[N@H+]2C2CC2)C1 ZINC000286357473 285156361 /nfs/dbraw/zinc/15/63/61/285156361.db2.gz WXGNTCJHSKIWJP-IUODEOHRSA-N 1 1 319.380 3.187 20 5 DGBDMO C[C@@H](C1CC1)[N@@H+](C)Cc1cn(C)nc1-c1ccc([N+](=O)[O-])cc1 ZINC000158021903 197235592 /nfs/dbraw/zinc/23/55/92/197235592.db2.gz OINUDFFPCLZDCF-LBPRGKRZSA-N 1 1 314.389 3.226 20 5 DGBDMO C[C@@H](c1cccc(Cl)c1)[N@@H+](C)CCn1cc([N+](=O)[O-])cn1 ZINC000157729907 197210833 /nfs/dbraw/zinc/21/08/33/197210833.db2.gz RYBMYDOZZQLZBR-NSHDSACASA-N 1 1 308.769 3.138 20 5 DGBDMO CC[N@H+]1CCCC[C@H]1CNc1ccc2ncccc2c1[N+](=O)[O-] ZINC000343262024 254121263 /nfs/dbraw/zinc/12/12/63/254121263.db2.gz VRXURFLZYXLVAJ-ZDUSSCGKSA-N 1 1 314.389 3.429 20 5 DGBDMO O=[N+]([O-])c1ccccc1/C=C\C[N@@H+](C[C@@H]1CCOC1)C1CC1 ZINC000255670455 285172591 /nfs/dbraw/zinc/17/25/91/285172591.db2.gz OEZMTDWKMVNHDH-MFBWXBCUSA-N 1 1 302.374 3.109 20 5 DGBDMO CCC[N@H+]1CCC[C@H]1CNc1ccc([N+](=O)[O-])c2cccnc12 ZINC000343976830 254208241 /nfs/dbraw/zinc/20/82/41/254208241.db2.gz RTEJMSRZPFUXSB-ZDUSSCGKSA-N 1 1 314.389 3.429 20 5 DGBDMO C[NH+](C)Cc1cc(NC(=O)c2ccc([N+](=O)[O-])o2)ccc1Cl ZINC000343849947 254196271 /nfs/dbraw/zinc/19/62/71/254196271.db2.gz DPUXNYYHPRCYKV-UHFFFAOYSA-N 1 1 323.736 3.155 20 5 DGBDMO CC[C@]1(C)CC[N@@H+](Cc2nnc(-c3ccc([N+](=O)[O-])cc3)o2)C1 ZINC000344206823 254239310 /nfs/dbraw/zinc/23/93/10/254239310.db2.gz ALXKSRPXKJMBDL-MRXNPFEDSA-N 1 1 316.361 3.267 20 5 DGBDMO Cc1ccc([N+](=O)[O-])cc1[C@@H](C)N1CCC[N@H+](C(C)C)CC1 ZINC000344221304 254241116 /nfs/dbraw/zinc/24/11/16/254241116.db2.gz PMJZNMLVRYACHA-OAHLLOKOSA-N 1 1 305.422 3.380 20 5 DGBDMO CCOc1ccc([C@@H](C)NC[C@H](C)[N@H+](C)C2CC2)cc1[N+](=O)[O-] ZINC000153624131 196894331 /nfs/dbraw/zinc/89/43/31/196894331.db2.gz YMRVYXYHGUNELX-QWHCGFSZSA-N 1 1 321.421 3.127 20 5 DGBDMO CCOc1ccc([C@@H](C)NC[C@H](C)[N@@H+](C)C2CC2)cc1[N+](=O)[O-] ZINC000153624131 196894332 /nfs/dbraw/zinc/89/43/32/196894332.db2.gz YMRVYXYHGUNELX-QWHCGFSZSA-N 1 1 321.421 3.127 20 5 DGBDMO CCOc1ccc([C@@H](C)[NH2+]Cc2c(C)noc2C)cc1[N+](=O)[O-] ZINC000153195927 196860163 /nfs/dbraw/zinc/86/01/63/196860163.db2.gz FLWSMDWIWSAMOP-SNVBAGLBSA-N 1 1 319.361 3.449 20 5 DGBDMO C[C@H](CCc1ccccc1[N+](=O)[O-])[NH2+][C@@H]1CCCc2c[nH]nc21 ZINC000271565832 209018459 /nfs/dbraw/zinc/01/84/59/209018459.db2.gz XUWAPMTXARNWPA-IUODEOHRSA-N 1 1 314.389 3.306 20 5 DGBDMO Cc1cc(C2CC[NH+](Cc3cccc([N+](=O)[O-])c3C)CC2)n[nH]1 ZINC000271595449 209042221 /nfs/dbraw/zinc/04/22/21/209042221.db2.gz GVVSZHSVBPZPMX-UHFFFAOYSA-N 1 1 314.389 3.314 20 5 DGBDMO CC(C)n1cc(C[N@@H+](C)CCc2ccccc2[N+](=O)[O-])cn1 ZINC000289521361 221037008 /nfs/dbraw/zinc/03/70/08/221037008.db2.gz PKQOXLCCLIAFGX-UHFFFAOYSA-N 1 1 302.378 3.047 20 5 DGBDMO CCc1ccc([N+](=O)[O-])cc1NC(=O)N[C@H](C)C[N@@H+](C)C(C)C ZINC000289770871 221214458 /nfs/dbraw/zinc/21/44/58/221214458.db2.gz LJCNHEYQJCCKHN-GFCCVEGCSA-N 1 1 322.409 3.007 20 5 DGBDMO Cc1cnn([C@@H]2CC[N@H+](Cc3cc([N+](=O)[O-])ccc3Cl)C2)c1 ZINC000289771307 221216093 /nfs/dbraw/zinc/21/60/93/221216093.db2.gz GNCBGTHQJSVIPV-CQSZACIVSA-N 1 1 320.780 3.200 20 5 DGBDMO Cc1cnn([C@@H]2CC[N@@H+](Cc3cc([N+](=O)[O-])ccc3Cl)C2)c1 ZINC000289771307 221216098 /nfs/dbraw/zinc/21/60/98/221216098.db2.gz GNCBGTHQJSVIPV-CQSZACIVSA-N 1 1 320.780 3.200 20 5 DGBDMO COc1ccc([N+](=O)[O-])cc1C[N@@H+]1CCC(F)(F)[C@@H](C)C1 ZINC000289841730 221262655 /nfs/dbraw/zinc/26/26/55/221262655.db2.gz PEBWGEFEKVOWRR-JTQLQIEISA-N 1 1 300.305 3.081 20 5 DGBDMO COc1ccc([N+](=O)[O-])cc1C[N@H+]1CCC(F)(F)[C@@H](C)C1 ZINC000289841730 221262658 /nfs/dbraw/zinc/26/26/58/221262658.db2.gz PEBWGEFEKVOWRR-JTQLQIEISA-N 1 1 300.305 3.081 20 5 DGBDMO COc1ccc([N+](=O)[O-])cc1C[N@@H+]1CCC(F)(F)[C@H](C)C1 ZINC000289841731 221263485 /nfs/dbraw/zinc/26/34/85/221263485.db2.gz PEBWGEFEKVOWRR-SNVBAGLBSA-N 1 1 300.305 3.081 20 5 DGBDMO COc1ccc([N+](=O)[O-])cc1C[N@H+]1CCC(F)(F)[C@H](C)C1 ZINC000289841731 221263487 /nfs/dbraw/zinc/26/34/87/221263487.db2.gz PEBWGEFEKVOWRR-SNVBAGLBSA-N 1 1 300.305 3.081 20 5 DGBDMO CO[C@H]1CC[N@H+](Cc2ccc([N+](=O)[O-])cc2Cl)CC1(C)C ZINC000294990187 224363837 /nfs/dbraw/zinc/36/38/37/224363837.db2.gz KOCLQDRNKIDRFH-AWEZNQCLSA-N 1 1 312.797 3.495 20 5 DGBDMO CO[C@H]1CC[N@@H+](Cc2ccc([N+](=O)[O-])cc2Cl)CC1(C)C ZINC000294990187 224363838 /nfs/dbraw/zinc/36/38/38/224363838.db2.gz KOCLQDRNKIDRFH-AWEZNQCLSA-N 1 1 312.797 3.495 20 5 DGBDMO O=[N+]([O-])c1ccc2c(c1)C[N@@H+](Cc1cccc3[nH]ccc31)CCO2 ZINC000356535305 285379867 /nfs/dbraw/zinc/37/98/67/285379867.db2.gz XUFIUSXEBUNXOQ-UHFFFAOYSA-N 1 1 323.352 3.471 20 5 DGBDMO O=[N+]([O-])c1ccc2c(c1)C[N@H+](Cc1cccc3[nH]ccc31)CCO2 ZINC000356535305 285379868 /nfs/dbraw/zinc/37/98/68/285379868.db2.gz XUFIUSXEBUNXOQ-UHFFFAOYSA-N 1 1 323.352 3.471 20 5 DGBDMO C/C(=C/c1cccc([N+](=O)[O-])c1)C[N@@H+](C)C[C@H]1CCCOC1 ZINC000470169327 533380547 /nfs/dbraw/zinc/38/05/47/533380547.db2.gz DJSOERQJUWSVHR-IHWMJMDHSA-N 1 1 304.390 3.357 20 5 DGBDMO C/C(=C/c1cccc([N+](=O)[O-])c1)C[N@@H+]1CCO[C@@H]2CCC[C@@H]21 ZINC000470179273 533382946 /nfs/dbraw/zinc/38/29/46/533382946.db2.gz VPBFVVVSTWEJFO-JINBKUQRSA-N 1 1 302.374 3.251 20 5 DGBDMO C/C(=C/c1cccc([N+](=O)[O-])c1)C[N@H+]1CCO[C@@H]2CCC[C@@H]21 ZINC000470179273 533382948 /nfs/dbraw/zinc/38/29/48/533382948.db2.gz VPBFVVVSTWEJFO-JINBKUQRSA-N 1 1 302.374 3.251 20 5 DGBDMO C/C(=C\c1cccc([N+](=O)[O-])c1)C[N@@H+](C)C[C@@H]1CCC[C@@H]1O ZINC000470181501 533407787 /nfs/dbraw/zinc/40/77/87/533407787.db2.gz DEPUVPIOWAVTIU-NOPRJXFKSA-N 1 1 304.390 3.091 20 5 DGBDMO C/C(=C\c1cccc([N+](=O)[O-])c1)CNCC[NH+]1CCCCCC1 ZINC000468644719 533408686 /nfs/dbraw/zinc/40/86/86/533408686.db2.gz FYHPKRUPBAALTJ-DTQAZKPQSA-N 1 1 317.433 3.464 20 5 DGBDMO C/C(=C\c1cccc([N+](=O)[O-])c1)CN[C@@H]1CC[N@@H+]2CCC[C@@H]2C1 ZINC000468648020 533410017 /nfs/dbraw/zinc/41/00/17/533410017.db2.gz MWOPCPYEUYZAIG-PNUWANSTSA-N 1 1 315.417 3.215 20 5 DGBDMO C/C(=C\c1cccc([N+](=O)[O-])c1)CN[C@@H]1CC[N@H+]2CCC[C@@H]2C1 ZINC000468648020 533410020 /nfs/dbraw/zinc/41/00/20/533410020.db2.gz MWOPCPYEUYZAIG-PNUWANSTSA-N 1 1 315.417 3.215 20 5 DGBDMO C[C@H](O)[C@@H]1CC[N@@H+](Cc2cc(=O)oc3ccc4ccccc4c23)C1 ZINC000272551667 130041284 /nfs/dbraw/zinc/04/12/84/130041284.db2.gz KRSZQASGGSRDDI-DZGCQCFKSA-N 1 1 323.392 3.149 20 5 DGBDMO CCC[N@@H+]1CC[C@@H](N[C@H](C)c2ccc(OCC)c([N+](=O)[O-])c2)C1 ZINC000595097373 400104854 /nfs/dbraw/zinc/10/48/54/400104854.db2.gz URCQAKOKIRALKK-UKRRQHHQSA-N 1 1 321.421 3.128 20 5 DGBDMO CCC[N@H+]1CC[C@@H](N[C@H](C)c2ccc(OCC)c([N+](=O)[O-])c2)C1 ZINC000595097373 400104858 /nfs/dbraw/zinc/10/48/58/400104858.db2.gz URCQAKOKIRALKK-UKRRQHHQSA-N 1 1 321.421 3.128 20 5 DGBDMO Cc1noc(C[N@H+]2CCC[C@@H]2Cc2ccccc2)c1[N+](=O)[O-] ZINC000595289908 400118830 /nfs/dbraw/zinc/11/88/30/400118830.db2.gz RFWSIPKSLUAKKM-CQSZACIVSA-N 1 1 301.346 3.098 20 5 DGBDMO C[C@@H]([NH2+][C@H]1CCCc2ccc([N+](=O)[O-])cc21)c1nccn1C ZINC000595109961 400108825 /nfs/dbraw/zinc/10/88/25/400108825.db2.gz XSTDKNPZUHVEBZ-ABAIWWIYSA-N 1 1 300.362 3.057 20 5 DGBDMO O=[N+]([O-])c1cc(F)ccc1C[N@@H+]1CC[C@@H](O)[C@H](C2CCCC2)C1 ZINC000595534819 400179138 /nfs/dbraw/zinc/17/91/38/400179138.db2.gz TZWMZVBWFOOIPG-DOTOQJQBSA-N 1 1 322.380 3.107 20 5 DGBDMO Cc1cc(C[N@@H+](Cc2ccc([N+](=O)[O-])cc2)C(C)C)nc(C)n1 ZINC000595296273 400120427 /nfs/dbraw/zinc/12/04/27/400120427.db2.gz YZBHRHNJPHABPR-UHFFFAOYSA-N 1 1 314.389 3.412 20 5 DGBDMO Cc1cc(C[N@H+](Cc2ccc([N+](=O)[O-])cc2)C(C)C)nc(C)n1 ZINC000595296273 400120431 /nfs/dbraw/zinc/12/04/31/400120431.db2.gz YZBHRHNJPHABPR-UHFFFAOYSA-N 1 1 314.389 3.412 20 5 DGBDMO CCC[N@H+]1CC[C@H](CNc2ccc3cc([N+](=O)[O-])ccc3n2)C1 ZINC000091457717 400121420 /nfs/dbraw/zinc/12/14/20/400121420.db2.gz ZIQCUZAVGRUQPV-CYBMUJFWSA-N 1 1 314.389 3.287 20 5 DGBDMO Cc1noc(C[N@H+](CCc2ccc(F)cc2)C2CC2)c1[N+](=O)[O-] ZINC000595320542 400127044 /nfs/dbraw/zinc/12/70/44/400127044.db2.gz GSYXJNLXUGVUEU-UHFFFAOYSA-N 1 1 319.336 3.237 20 5 DGBDMO Cc1noc(C[N@@H+](CCc2ccc(F)cc2)C2CC2)c1[N+](=O)[O-] ZINC000595320542 400127048 /nfs/dbraw/zinc/12/70/48/400127048.db2.gz GSYXJNLXUGVUEU-UHFFFAOYSA-N 1 1 319.336 3.237 20 5 DGBDMO O=[N+]([O-])c1cc(F)ccc1C[N@H+]1CCC[C@]2(CCCOC2)C1 ZINC000595333201 400128446 /nfs/dbraw/zinc/12/84/46/400128446.db2.gz NDSXXOVBOJRDQR-INIZCTEOSA-N 1 1 308.353 3.127 20 5 DGBDMO O=[N+]([O-])c1cc(F)ccc1CN1CCC[N@H+](C2CCCC2)CC1 ZINC000595329298 400128470 /nfs/dbraw/zinc/12/84/70/400128470.db2.gz PVWCHNVBLNDRQF-UHFFFAOYSA-N 1 1 321.396 3.184 20 5 DGBDMO O=[N+]([O-])c1cc(F)ccc1C[N@@H+]1CCc2ccc(O)cc2CC1 ZINC000595370771 400135003 /nfs/dbraw/zinc/13/50/03/400135003.db2.gz PFOJYWGSKKRYCY-UHFFFAOYSA-N 1 1 316.332 3.040 20 5 DGBDMO CC(C)[N@H+](C)CC1CCN(Cc2ccccc2[N+](=O)[O-])CC1 ZINC000609133617 400142946 /nfs/dbraw/zinc/14/29/46/400142946.db2.gz MZOFQMSHZXAAOP-UHFFFAOYSA-N 1 1 305.422 3.147 20 5 DGBDMO CC(C)[N@@H+](C)CC1CCN(Cc2ccccc2[N+](=O)[O-])CC1 ZINC000609133617 400142949 /nfs/dbraw/zinc/14/29/49/400142949.db2.gz MZOFQMSHZXAAOP-UHFFFAOYSA-N 1 1 305.422 3.147 20 5 DGBDMO O=[N+]([O-])c1cccc(F)c1C[N@@H+]1CCc2ccc(O)cc2CC1 ZINC000609146005 400145076 /nfs/dbraw/zinc/14/50/76/400145076.db2.gz JSRSHTRTMJIGIS-UHFFFAOYSA-N 1 1 316.332 3.040 20 5 DGBDMO Cc1noc(C[N@@H+]2CC[C@@H](C(F)(F)F)C2(C)C)c1[N+](=O)[O-] ZINC000595457065 400156596 /nfs/dbraw/zinc/15/65/96/400156596.db2.gz WFTUKYVFARUSHR-SECBINFHSA-N 1 1 307.272 3.054 20 5 DGBDMO Cc1noc(C[N@H+]2CC[C@@H](C(F)(F)F)C2(C)C)c1[N+](=O)[O-] ZINC000595457065 400156597 /nfs/dbraw/zinc/15/65/97/400156597.db2.gz WFTUKYVFARUSHR-SECBINFHSA-N 1 1 307.272 3.054 20 5 DGBDMO Cc1noc(C[N@H+]2CC[C@](C)(c3ccc(F)cc3)C2)c1[N+](=O)[O-] ZINC000595475845 400163123 /nfs/dbraw/zinc/16/31/23/400163123.db2.gz PHVUHNFFHFXQIH-INIZCTEOSA-N 1 1 319.336 3.194 20 5 DGBDMO O=[N+]([O-])c1cc(F)ccc1C[N@H+]1CC[C@@H](c2ccncc2)C1 ZINC000595489200 400166580 /nfs/dbraw/zinc/16/65/80/400166580.db2.gz QPCPFVNPRADLGZ-CYBMUJFWSA-N 1 1 301.321 3.118 20 5 DGBDMO Cc1ccc([N+](=O)[O-])cc1[C@@H](C)N1CCC[C@]2(CC[N@@H+](C)C2)C1 ZINC000595505233 400170331 /nfs/dbraw/zinc/17/03/31/400170331.db2.gz QZRXCJJCZSRFLN-CRAIPNDOSA-N 1 1 317.433 3.382 20 5 DGBDMO C[C@H](CO)[C@@H]1CCCC[N@H+]1Cc1ccc(Cl)cc1[N+](=O)[O-] ZINC000595676735 400224296 /nfs/dbraw/zinc/22/42/96/400224296.db2.gz NSJWEVMBANSESH-RISCZKNCSA-N 1 1 312.797 3.231 20 5 DGBDMO C[C@H](CO)[C@H]1CCCC[N@H+]1Cc1ccc([N+](=O)[O-])cc1Cl ZINC000595677565 400224557 /nfs/dbraw/zinc/22/45/57/400224557.db2.gz PAXHNFYMNIYPRP-IAQYHMDHSA-N 1 1 312.797 3.231 20 5 DGBDMO O=[N+]([O-])c1ccc2[nH+]ccc(N3CCC[C@@H](c4cc[nH]n4)C3)c2c1 ZINC000601106129 400233441 /nfs/dbraw/zinc/23/34/41/400233441.db2.gz SCCKSLFMURANEM-GFCCVEGCSA-N 1 1 323.356 3.250 20 5 DGBDMO CCCC[N@@H+](C)C[C@H](C)Nc1ncnc2ccc([N+](=O)[O-])cc21 ZINC000588865026 400237329 /nfs/dbraw/zinc/23/73/29/400237329.db2.gz BAJITXLUOHPKSO-LBPRGKRZSA-N 1 1 317.393 3.070 20 5 DGBDMO COC[C@H]1CCCN(c2cc[nH+]c3ccc([N+](=O)[O-])cc32)C1 ZINC000601116547 400238393 /nfs/dbraw/zinc/23/83/93/400238393.db2.gz NAOLVXYMKUGOFF-LBPRGKRZSA-N 1 1 301.346 3.006 20 5 DGBDMO O=[N+]([O-])c1ccc2[nH+]ccc(N3CCOC4(CCCC4)C3)c2c1 ZINC000601130747 400243046 /nfs/dbraw/zinc/24/30/46/400243046.db2.gz OAPQXHOUVJEOEO-UHFFFAOYSA-N 1 1 313.357 3.292 20 5 DGBDMO Cc1ccc([N+](=O)[O-])cc1[C@@H](C)[N@H+]1CCC[C@](O)(C2CC2)C1 ZINC000595752665 400249904 /nfs/dbraw/zinc/24/99/04/400249904.db2.gz VEFOHOJTFNQYTL-CXAGYDPISA-N 1 1 304.390 3.201 20 5 DGBDMO CN(C)c1ccccc1C[N@@H+](C)CCc1ccc([N+](=O)[O-])cc1 ZINC000588978511 400252433 /nfs/dbraw/zinc/25/24/33/400252433.db2.gz DZWDKUFJWBHUPL-UHFFFAOYSA-N 1 1 313.401 3.335 20 5 DGBDMO Cc1c(NC(=O)[C@H](C)[N@@H+]2C[C@@H]3CCCC[C@@H]32)cccc1[N+](=O)[O-] ZINC000595567014 400191384 /nfs/dbraw/zinc/19/13/84/400191384.db2.gz QXBYASCGLXQWTB-XEZPLFJOSA-N 1 1 317.389 3.105 20 5 DGBDMO Cc1c(NC(=O)[C@H](C)[N@H+]2C[C@@H]3CCCC[C@@H]32)cccc1[N+](=O)[O-] ZINC000595567014 400191390 /nfs/dbraw/zinc/19/13/90/400191390.db2.gz QXBYASCGLXQWTB-XEZPLFJOSA-N 1 1 317.389 3.105 20 5 DGBDMO Cc1cc([N+](=O)[O-])cnc1NC[C@H]1CCC[N@H+](CC(C)C)C1 ZINC000092687121 400195732 /nfs/dbraw/zinc/19/57/32/400195732.db2.gz BMXZAXDFKJLMPV-CQSZACIVSA-N 1 1 306.410 3.078 20 5 DGBDMO C[C@@H](C(=O)Nc1ccc([N+](=O)[O-])cc1)[N@H+](C)Cc1ccccc1 ZINC000021822089 400195978 /nfs/dbraw/zinc/19/59/78/400195978.db2.gz FAOINSZIVPKWPA-ZDUSSCGKSA-N 1 1 313.357 3.054 20 5 DGBDMO C[C@@H](C(=O)Nc1ccc([N+](=O)[O-])cc1)[N@@H+](C)Cc1ccccc1 ZINC000021822089 400195980 /nfs/dbraw/zinc/19/59/80/400195980.db2.gz FAOINSZIVPKWPA-ZDUSSCGKSA-N 1 1 313.357 3.054 20 5 DGBDMO Cc1cccc(C)c1[C@@H]1CCC[N@H+]1CCn1ccc([N+](=O)[O-])n1 ZINC000595601112 400198562 /nfs/dbraw/zinc/19/85/62/400198562.db2.gz NBENRYSOWAGOAS-HNNXBMFYSA-N 1 1 314.389 3.245 20 5 DGBDMO C[NH+](C)[C@H](CNc1ccc([N+](=O)[O-])cn1)c1ccccc1Cl ZINC000022805614 400204849 /nfs/dbraw/zinc/20/48/49/400204849.db2.gz JWMRQBOVLDGQMH-CQSZACIVSA-N 1 1 320.780 3.358 20 5 DGBDMO CC[N@@H+](CC(=O)Nc1ccccc1[N+](=O)[O-])C1CCCCC1 ZINC000027284853 400270760 /nfs/dbraw/zinc/27/07/60/400270760.db2.gz RFPMTVOZTOKNIK-UHFFFAOYSA-N 1 1 305.378 3.188 20 5 DGBDMO Cc1c(C[N@@H+]2CCOC(C3CC3)(C3CC3)C2)cccc1[N+](=O)[O-] ZINC000595821987 400271268 /nfs/dbraw/zinc/27/12/68/400271268.db2.gz KTQUXGFCDNBEHP-UHFFFAOYSA-N 1 1 316.401 3.294 20 5 DGBDMO Cc1c(C[N@H+]2CCOC(C3CC3)(C3CC3)C2)cccc1[N+](=O)[O-] ZINC000595821987 400271270 /nfs/dbraw/zinc/27/12/70/400271270.db2.gz KTQUXGFCDNBEHP-UHFFFAOYSA-N 1 1 316.401 3.294 20 5 DGBDMO CCC[C@H](C)[N@@H+](C)CC(=O)Nc1ccc([N+](=O)[O-])cc1Cl ZINC000030269449 400323743 /nfs/dbraw/zinc/32/37/43/400323743.db2.gz JLODBIDXYANACH-JTQLQIEISA-N 1 1 313.785 3.307 20 5 DGBDMO COC(=O)c1ccc([N+](=O)[O-])c(C[N@@H+](C)CC2CCCCC2)c1 ZINC000589494121 400300434 /nfs/dbraw/zinc/30/04/34/400300434.db2.gz FASDGEVLHTUWMT-UHFFFAOYSA-N 1 1 320.389 3.394 20 5 DGBDMO O=[N+]([O-])c1ccccc1C[N@H+]1CCC[C@H]([C@@H]2CCCCO2)C1 ZINC000595784533 400258135 /nfs/dbraw/zinc/25/81/35/400258135.db2.gz AZUAFKRUOUCTOT-RDJZCZTQSA-N 1 1 304.390 3.376 20 5 DGBDMO CC[C@@H]1CC[C@@H](C)[N@@H+](CC(=O)Nc2ccccc2[N+](=O)[O-])C1 ZINC000595782220 400258187 /nfs/dbraw/zinc/25/81/87/400258187.db2.gz HWAVCGRFBMVSPD-CHWSQXEVSA-N 1 1 305.378 3.044 20 5 DGBDMO CC[C@H]1CCC[N@@H+](Cc2nc(-c3cccc([N+](=O)[O-])c3)no2)C1 ZINC000030145386 400321373 /nfs/dbraw/zinc/32/13/73/400321373.db2.gz WGYIFZYOUIFLKR-LBPRGKRZSA-N 1 1 316.361 3.267 20 5 DGBDMO O=[N+]([O-])c1ccc(CC[N@H+]2CCC[C@@H](C[C@@H]3CCOC3)C2)cc1 ZINC000611350378 400383178 /nfs/dbraw/zinc/38/31/78/400383178.db2.gz KIQHTTVFNFYOFN-IRXDYDNUSA-N 1 1 318.417 3.276 20 5 DGBDMO C[C@@H]1CC[C@H](C)[N@@H+]1[C@H]1CCCN(c2ccsc2[N+](=O)[O-])C1 ZINC000611370388 400385783 /nfs/dbraw/zinc/38/57/83/400385783.db2.gz LSANEOQYBIUDSX-XQQFMLRXSA-N 1 1 309.435 3.498 20 5 DGBDMO Cc1cc(N2CCC[N@H+](C3CCCC3)CC2)c([N+](=O)[O-])s1 ZINC000596133020 400326511 /nfs/dbraw/zinc/32/65/11/400326511.db2.gz BBXQFOKUNLHAJR-UHFFFAOYSA-N 1 1 309.435 3.419 20 5 DGBDMO Cc1cccc([N+](=O)[O-])c1NC(=O)C[N@H+](C(C)C)C1CCCC1 ZINC000108365390 400343380 /nfs/dbraw/zinc/34/33/80/400343380.db2.gz VYSMIYBBDZAIMU-UHFFFAOYSA-N 1 1 319.405 3.495 20 5 DGBDMO O=[N+]([O-])c1cc(C(F)F)ccc1N[C@H]1CCn2cc[nH+]c2C1 ZINC000596199713 400347918 /nfs/dbraw/zinc/34/79/18/400347918.db2.gz GKBTUTPQEUQQTC-JTQLQIEISA-N 1 1 308.288 3.156 20 5 DGBDMO COc1ccc(OC[C@H]2CCCC[N@H+]2C(C)C)c([N+](=O)[O-])c1 ZINC000596239700 400358011 /nfs/dbraw/zinc/35/80/11/400358011.db2.gz JYWSBKZKIGRFRA-CYBMUJFWSA-N 1 1 308.378 3.245 20 5 DGBDMO O=[N+]([O-])c1cc2c(cc1C[N@H+]1CCC[C@H]3CCC[C@H]31)OCCO2 ZINC000611265443 400368674 /nfs/dbraw/zinc/36/86/74/400368674.db2.gz OOWUYECVGBKSLV-TZMCWYRMSA-N 1 1 318.373 3.131 20 5 DGBDMO CCOc1cc(NC[C@H]2CC[N@H+]2C(C)(C)C)ccc1[N+](=O)[O-] ZINC000596308470 400376165 /nfs/dbraw/zinc/37/61/65/400376165.db2.gz SQWOXJYRKMCOAZ-CYBMUJFWSA-N 1 1 307.394 3.278 20 5 DGBDMO CC(C)(C)[N@H+]1CC[C@H]1CNc1ccc2ncccc2c1[N+](=O)[O-] ZINC000596309375 400376729 /nfs/dbraw/zinc/37/67/29/400376729.db2.gz ZZRLHLLXEPMDFC-LBPRGKRZSA-N 1 1 314.389 3.428 20 5 DGBDMO O=[N+]([O-])c1ccc(OCCC[N@H+]2CCc3ccccc3C2)cc1 ZINC000038690903 400396144 /nfs/dbraw/zinc/39/61/44/400396144.db2.gz NVWSTUUVZFSZBK-UHFFFAOYSA-N 1 1 312.369 3.422 20 5 DGBDMO O=[N+]([O-])c1cc(Cl)ccc1C[N@@H+](C[C@@H]1CCOC1)C1CC1 ZINC000116273068 400408981 /nfs/dbraw/zinc/40/89/81/400408981.db2.gz NPUWDUJDDJICMP-NSHDSACASA-N 1 1 310.781 3.249 20 5 DGBDMO Cn1cnc([N+](=O)[O-])c1C[N@@H+]1CCC[C@H]1/C=C\c1ccccc1 ZINC000611554616 400421105 /nfs/dbraw/zinc/42/11/05/400421105.db2.gz CJHGGULEHTYJQL-KVPUOBJLSA-N 1 1 312.373 3.006 20 5 DGBDMO Cn1cnc([N+](=O)[O-])c1C[N@H+]1CCC[C@H]1/C=C\c1ccccc1 ZINC000611554616 400421114 /nfs/dbraw/zinc/42/11/14/400421114.db2.gz CJHGGULEHTYJQL-KVPUOBJLSA-N 1 1 312.373 3.006 20 5 DGBDMO C[N@@H+](CCC(=O)Nc1ccccc1[N+](=O)[O-])Cc1ccsc1 ZINC000122339936 400460549 /nfs/dbraw/zinc/46/05/49/400460549.db2.gz XJZNINLHLWMRHW-UHFFFAOYSA-N 1 1 319.386 3.117 20 5 DGBDMO C[C@@H]1COCCC[N@@H+]1Cc1ccc(C(F)(F)F)cc1[N+](=O)[O-] ZINC000602471596 400471769 /nfs/dbraw/zinc/47/17/69/400471769.db2.gz FDZMZFPUNFOXJX-SNVBAGLBSA-N 1 1 318.295 3.224 20 5 DGBDMO C[C@@H]1COCCC[N@H+]1Cc1ccc(C(F)(F)F)cc1[N+](=O)[O-] ZINC000602471596 400471773 /nfs/dbraw/zinc/47/17/73/400471773.db2.gz FDZMZFPUNFOXJX-SNVBAGLBSA-N 1 1 318.295 3.224 20 5 DGBDMO C[C@@H]1C[C@H](Nc2ccc3ncccc3c2[N+](=O)[O-])C[N@H+]1C1CC1 ZINC000133491686 400571085 /nfs/dbraw/zinc/57/10/85/400571085.db2.gz FPJIIUFXQUUNPF-NEPJUHHUSA-N 1 1 312.373 3.180 20 5 DGBDMO Cc1ncc([N+](=O)[O-])n1CC[N@@H+]1CC[C@H](C)C[C@H]1c1ccco1 ZINC000602780335 400572016 /nfs/dbraw/zinc/57/20/16/400572016.db2.gz HGFURHQESMSRQV-JSGCOSHPSA-N 1 1 318.377 3.166 20 5 DGBDMO C[C@@]1(C2CC2)C[N@H+](C/C=C\c2ccccc2[N+](=O)[O-])CCO1 ZINC000597181044 400578980 /nfs/dbraw/zinc/57/89/80/400578980.db2.gz ZOSFBWSTKJNIRK-AATOQMJSSA-N 1 1 302.374 3.109 20 5 DGBDMO C[C@@]1(C2CC2)C[N@@H+](C/C=C\c2ccccc2[N+](=O)[O-])CCO1 ZINC000597181044 400578983 /nfs/dbraw/zinc/57/89/83/400578983.db2.gz ZOSFBWSTKJNIRK-AATOQMJSSA-N 1 1 302.374 3.109 20 5 DGBDMO CC[C@H]1C[C@@H](C)C[N@H+]1Cc1nnc(-c2ccc([N+](=O)[O-])cc2)o1 ZINC000075022052 400552870 /nfs/dbraw/zinc/55/28/70/400552870.db2.gz AWUYORILFIZXPX-YPMHNXCESA-N 1 1 316.361 3.265 20 5 DGBDMO Cc1ncc([N+](=O)[O-])n1CC[N@H+]1CCC[C@@H]1c1cccc(F)c1 ZINC000602766221 400567289 /nfs/dbraw/zinc/56/72/89/400567289.db2.gz DMOKDTYAHRRBST-OAHLLOKOSA-N 1 1 318.352 3.076 20 5 DGBDMO Cc1ncc([N+](=O)[O-])n1CC[N@H+]1CCC[C@H]1c1ccccc1C ZINC000602768188 400569546 /nfs/dbraw/zinc/56/95/46/400569546.db2.gz XMSWUZFXONQIIO-INIZCTEOSA-N 1 1 314.389 3.245 20 5 DGBDMO Cc1noc(C[NH+]2CCC3(CCSCC3)CC2)c1[N+](=O)[O-] ZINC000602950795 400613530 /nfs/dbraw/zinc/61/35/30/400613530.db2.gz NDBIAYOBHZHIQQ-UHFFFAOYSA-N 1 1 311.407 3.000 20 5 DGBDMO C[C@H]1CC2(C[N@H+]1CCc1ccc([N+](=O)[O-])cc1)CCOCC2 ZINC000592183763 400619841 /nfs/dbraw/zinc/61/98/41/400619841.db2.gz WSVCNZCXQSBRAW-AWEZNQCLSA-N 1 1 304.390 3.028 20 5 DGBDMO CN(CCCC[NH+]1CCCCC1)Cc1ccccc1[N+](=O)[O-] ZINC000603111409 400643509 /nfs/dbraw/zinc/64/35/09/400643509.db2.gz QQRQPMXBSXUMAG-UHFFFAOYSA-N 1 1 305.422 3.293 20 5 DGBDMO CCC[N@H+](Cc1nc(-c2cccc([N+](=O)[O-])c2)no1)CC1CC1 ZINC000046856248 400582586 /nfs/dbraw/zinc/58/25/86/400582586.db2.gz HDAVWXNMUWRQAP-UHFFFAOYSA-N 1 1 316.361 3.267 20 5 DGBDMO COc1cc(C[N@@H+](C)C[C@@H]2CC2(C)C)c([N+](=O)[O-])cc1OC ZINC000597252026 400600711 /nfs/dbraw/zinc/60/07/11/400600711.db2.gz HNWISPQWMBSIFP-LBPRGKRZSA-N 1 1 308.378 3.090 20 5 DGBDMO C[C@@H]([NH3+])C[C@@H](C)NCc1ccc(-c2cccc([N+](=O)[O-])c2)o1 ZINC000592438264 400648765 /nfs/dbraw/zinc/64/87/65/400648765.db2.gz IAPATTBNGLNQEY-VXGBXAGGSA-N 1 1 303.362 3.070 20 5 DGBDMO CN(CCC[N@@H+](C)Cc1ccncc1)c1ccsc1[N+](=O)[O-] ZINC000603399108 400681122 /nfs/dbraw/zinc/68/11/22/400681122.db2.gz FNPUCWLKLGSUIS-UHFFFAOYSA-N 1 1 320.418 3.010 20 5 DGBDMO O=[N+]([O-])c1ncccc1N1CCC[N@@H+](CC2CCCCC2)CC1 ZINC000603932095 400734162 /nfs/dbraw/zinc/73/41/62/400734162.db2.gz AFZFRLUIRMWSRQ-UHFFFAOYSA-N 1 1 318.421 3.082 20 5 DGBDMO Cc1cc(C[NH2+][C@@H]2CC(C)(C)c3ccc([N+](=O)[O-])cc32)ncn1 ZINC000618986772 400739054 /nfs/dbraw/zinc/73/90/54/400739054.db2.gz UPGXESYNLOJLIL-MRXNPFEDSA-N 1 1 312.373 3.205 20 5 DGBDMO Cc1cnn(CCCCC[N@H+](C)Cc2ccccc2[N+](=O)[O-])c1 ZINC000171916579 400810076 /nfs/dbraw/zinc/81/00/76/400810076.db2.gz GTZUEERTWJYDCD-UHFFFAOYSA-N 1 1 316.405 3.402 20 5 DGBDMO COc1ccc([N+](=O)[O-])cc1C[NH2+][C@H]1CCCc2cccnc21 ZINC000619611098 400872656 /nfs/dbraw/zinc/87/26/56/400872656.db2.gz GYXKSJDHIDOWBI-HNNXBMFYSA-N 1 1 313.357 3.166 20 5 DGBDMO C[N@@H+](CCc1ccccc1[N+](=O)[O-])Cc1cncc(Cl)c1 ZINC000598618552 400844614 /nfs/dbraw/zinc/84/46/14/400844614.db2.gz YMRMOYAGRMJSKZ-UHFFFAOYSA-N 1 1 305.765 3.318 20 5 DGBDMO COc1ccc(F)c(C[NH2+]Cc2ccc(C)c([N+](=O)[O-])c2)c1 ZINC000598646216 400848854 /nfs/dbraw/zinc/84/88/54/400848854.db2.gz CXLZAXHDQWSXND-UHFFFAOYSA-N 1 1 304.321 3.341 20 5 DGBDMO O=[N+]([O-])c1ccc(C[N@@H+]2CCOCC3(CCCC3)C2)c(F)c1 ZINC000614223006 400857188 /nfs/dbraw/zinc/85/71/88/400857188.db2.gz ZUZZIENBDDVFKZ-UHFFFAOYSA-N 1 1 308.353 3.127 20 5 DGBDMO O=[N+]([O-])c1ccc(C[N@H+]2CCOCC3(CCCC3)C2)c(F)c1 ZINC000614223006 400857190 /nfs/dbraw/zinc/85/71/90/400857190.db2.gz ZUZZIENBDDVFKZ-UHFFFAOYSA-N 1 1 308.353 3.127 20 5 DGBDMO O=[N+]([O-])c1cccc(F)c1C[N@@H+]1CCC[C@H](OC2CCC2)C1 ZINC000594026758 400951786 /nfs/dbraw/zinc/95/17/86/400951786.db2.gz OIHZVBBDTZOEHI-ZDUSSCGKSA-N 1 1 308.353 3.267 20 5 DGBDMO O=[N+]([O-])c1cccc(F)c1C[N@H+]1CCC[C@H](OC2CCC2)C1 ZINC000594026758 400951791 /nfs/dbraw/zinc/95/17/91/400951791.db2.gz OIHZVBBDTZOEHI-ZDUSSCGKSA-N 1 1 308.353 3.267 20 5 DGBDMO O=[N+]([O-])c1c(N[C@@H]2CC[N@H+]3CCCC[C@@H]23)ccc2cnccc21 ZINC000599019484 400928869 /nfs/dbraw/zinc/92/88/69/400928869.db2.gz MFSXUBXXACJEAL-ZBFHGGJFSA-N 1 1 312.373 3.182 20 5 DGBDMO CC[C@@H](C)[N@@H+](C)CCNc1ccc2cnccc2c1[N+](=O)[O-] ZINC000599038340 400934257 /nfs/dbraw/zinc/93/42/57/400934257.db2.gz OZNZWLXUHHYJQV-GFCCVEGCSA-N 1 1 302.378 3.285 20 5 DGBDMO CC[N@@H+](CCOc1cccc([N+](=O)[O-])c1)Cc1ccccc1 ZINC000058562967 401059822 /nfs/dbraw/zinc/05/98/22/401059822.db2.gz KAVULBJVSFFRLO-UHFFFAOYSA-N 1 1 300.358 3.496 20 5 DGBDMO COc1cc([N+](=O)[O-])ccc1C[N@H+]1CC[C@H]2CC[C@@H](C1)S2 ZINC000599553132 401074961 /nfs/dbraw/zinc/07/49/61/401074961.db2.gz OGSSIOXRNZWTKX-KGLIPLIRSA-N 1 1 308.403 3.073 20 5 DGBDMO O=[N+]([O-])c1ccc2[nH]c(C[N@H+]3CCCC4(CC4)CC3)nc2c1 ZINC000599673513 401107678 /nfs/dbraw/zinc/10/76/78/401107678.db2.gz RSPOCTNREOJZQV-UHFFFAOYSA-N 1 1 300.362 3.237 20 5 DGBDMO COc1cccc(N[C@H]2CCC[N@H+]3CCCC[C@H]23)c1[N+](=O)[O-] ZINC000594603897 401128660 /nfs/dbraw/zinc/12/86/60/401128660.db2.gz WIQZQZRGXPAYLE-GXTWGEPZSA-N 1 1 305.378 3.032 20 5 DGBDMO O=[N+]([O-])c1ccccc1/C=C/CN[C@@H]1CCC[N@@H+]2CCCC[C@H]12 ZINC000594517994 401094614 /nfs/dbraw/zinc/09/46/14/401094614.db2.gz GBGNLQUJKLZMDX-ODEKCMFZSA-N 1 1 315.417 3.215 20 5 DGBDMO O=[N+]([O-])c1ccccc1/C=C/CN[C@@H]1CCC[N@H+]2CCCC[C@H]12 ZINC000594517994 401094619 /nfs/dbraw/zinc/09/46/19/401094619.db2.gz GBGNLQUJKLZMDX-ODEKCMFZSA-N 1 1 315.417 3.215 20 5 DGBDMO COc1cccc(OC)c1C[NH2+][C@@H](C)c1ccc([N+](=O)[O-])cc1 ZINC000594711868 401158756 /nfs/dbraw/zinc/15/87/56/401158756.db2.gz NVBRUVZZBOELGO-LBPRGKRZSA-N 1 1 316.357 3.463 20 5 DGBDMO CO[C@H]1CCC[N@@H+](C/C(C)=C\c2cccc([N+](=O)[O-])c2)CC1 ZINC000615837573 401160500 /nfs/dbraw/zinc/16/05/00/401160500.db2.gz FPPHEDQJGLUWRB-IFCKCIONSA-N 1 1 304.390 3.499 20 5 DGBDMO CC(C)([NH2+]Cc1cnc(C2CC2)o1)c1ccc([N+](=O)[O-])cc1 ZINC000600152799 401197259 /nfs/dbraw/zinc/19/72/59/401197259.db2.gz WTYURNRQBQUOLD-UHFFFAOYSA-N 1 1 301.346 3.485 20 5 DGBDMO CCCn1nccc1C[NH2+]C(C)(C)c1ccccc1[N+](=O)[O-] ZINC000594946046 401202476 /nfs/dbraw/zinc/20/24/76/401202476.db2.gz ZZQWODFBJIUMLB-UHFFFAOYSA-N 1 1 302.378 3.226 20 5 DGBDMO CCc1nc(C[N@H+](C)CCc2ccc([N+](=O)[O-])cc2)cs1 ZINC000063604380 401203901 /nfs/dbraw/zinc/20/39/01/401203901.db2.gz RORIUKWTQFUVSR-UHFFFAOYSA-N 1 1 305.403 3.288 20 5 DGBDMO CCc1nc(C[N@@H+](C)CCc2ccc([N+](=O)[O-])cc2)cs1 ZINC000063604380 401203905 /nfs/dbraw/zinc/20/39/05/401203905.db2.gz RORIUKWTQFUVSR-UHFFFAOYSA-N 1 1 305.403 3.288 20 5 DGBDMO COc1cc([N+](=O)[O-])ccc1[C@H](C)[NH2+][C@H](C)c1ccccn1 ZINC000595005740 401226790 /nfs/dbraw/zinc/22/67/90/401226790.db2.gz DLIHSPLBTKKGND-NWDGAFQWSA-N 1 1 301.346 3.410 20 5 DGBDMO CC[C@@H](C[NH2+][C@@H](C)c1ccc([N+](=O)[O-])cc1OC)N1CCCC1 ZINC000595006667 401226982 /nfs/dbraw/zinc/22/69/82/401226982.db2.gz HYRVKTOHNQNGPR-KBPBESRZSA-N 1 1 321.421 3.128 20 5 DGBDMO CCOC(=O)CC[N@H+](Cc1cccc([N+](=O)[O-])c1C)CC1CC1 ZINC000064343757 401234260 /nfs/dbraw/zinc/23/42/60/401234260.db2.gz ULFQQKRAJVWGTQ-UHFFFAOYSA-N 1 1 320.389 3.068 20 5 DGBDMO CC(C)C[N@@H+](C)[C@@H](C)C(=O)Nc1ccc([N+](=O)[O-])cc1Cl ZINC000065962407 401288208 /nfs/dbraw/zinc/28/82/08/401288208.db2.gz ZIXGBKLNADPKSC-JTQLQIEISA-N 1 1 313.785 3.163 20 5 DGBDMO Cc1cc(C2CC[NH+](Cc3c(F)cccc3[N+](=O)[O-])CC2)n[nH]1 ZINC000359514763 286324301 /nfs/dbraw/zinc/32/43/01/286324301.db2.gz LFUKALZBKKSUFY-UHFFFAOYSA-N 1 1 318.352 3.145 20 5 DGBDMO Cc1cc(C2CC[NH+](Cc3c(F)cccc3[N+](=O)[O-])CC2)[nH]n1 ZINC000359514763 286324302 /nfs/dbraw/zinc/32/43/02/286324302.db2.gz LFUKALZBKKSUFY-UHFFFAOYSA-N 1 1 318.352 3.145 20 5 DGBDMO COc1ccc([N+](=O)[O-])cc1C[NH+]1CCC(C(F)F)CC1 ZINC000361689195 286714363 /nfs/dbraw/zinc/71/43/63/286714363.db2.gz HQWWHSVJUGHKHD-UHFFFAOYSA-N 1 1 300.305 3.081 20 5 DGBDMO C[C@H]1C[N@@H+](Cc2ccc(-c3ccccc3[N+](=O)[O-])o2)CCCO1 ZINC000179397358 164858294 /nfs/dbraw/zinc/85/82/94/164858294.db2.gz MXTFVOWTOPHOBD-ZDUSSCGKSA-N 1 1 316.357 3.466 20 5 DGBDMO O=[N+]([O-])c1ccc(C[NH2+]Cc2nccn2-c2ccccc2)cc1 ZINC000190800618 165217474 /nfs/dbraw/zinc/21/74/74/165217474.db2.gz ZTOIWHLVXJHRDX-UHFFFAOYSA-N 1 1 308.341 3.070 20 5 DGBDMO CC[C@H](C)[N@@H+](C)CCNC(=O)Nc1cc(C)c([N+](=O)[O-])cc1C ZINC000191342506 165244890 /nfs/dbraw/zinc/24/48/90/165244890.db2.gz NVUFHJTZWYHEGN-ZDUSSCGKSA-N 1 1 322.409 3.063 20 5 DGBDMO O=[N+]([O-])c1cc(Cl)c(NCC[NH+]2CCCC2)c(Cl)c1 ZINC000228840771 165390441 /nfs/dbraw/zinc/39/04/41/165390441.db2.gz IIDZRXUBNKWMKN-UHFFFAOYSA-N 1 1 304.177 3.409 20 5 DGBDMO Cc1cc(N2CCC[C@@H](CC[NH3+])C2)c2cc([N+](=O)[O-])ccc2n1 ZINC000261967469 165773234 /nfs/dbraw/zinc/77/32/34/165773234.db2.gz YNDPSNLSPNLFLP-ZDUSSCGKSA-N 1 1 314.389 3.017 20 5 DGBDMO C[C@H]1CCC[N@@H+](Cc2nc(-c3ccc([N+](=O)[O-])cc3)no2)[C@H]1C ZINC000246667594 432154089 /nfs/dbraw/zinc/15/40/89/432154089.db2.gz JGLAHVJWYZKMHZ-RYUDHWBXSA-N 1 1 316.361 3.265 20 5 DGBDMO Cc1ccc([C@H](C)NCC[N@@H+]2CCC[C@@H](C)C2)cc1[N+](=O)[O-] ZINC000246927375 432180891 /nfs/dbraw/zinc/18/08/91/432180891.db2.gz GXKKBCPCLNANBN-HIFRSBDPSA-N 1 1 305.422 3.286 20 5 DGBDMO Cc1ccc([C@H](C)NCC[N@H+]2CCC[C@@H](C)C2)cc1[N+](=O)[O-] ZINC000246927375 432180895 /nfs/dbraw/zinc/18/08/95/432180895.db2.gz GXKKBCPCLNANBN-HIFRSBDPSA-N 1 1 305.422 3.286 20 5 DGBDMO C[N@H+](CCc1nccs1)Cc1ccc([N+](=O)[O-])cc1Cl ZINC000182362062 432184153 /nfs/dbraw/zinc/18/41/53/432184153.db2.gz OUPHPCXPQDSYBK-UHFFFAOYSA-N 1 1 311.794 3.379 20 5 DGBDMO C[N@@H+](CCc1nccs1)Cc1ccc([N+](=O)[O-])cc1Cl ZINC000182362062 432184156 /nfs/dbraw/zinc/18/41/56/432184156.db2.gz OUPHPCXPQDSYBK-UHFFFAOYSA-N 1 1 311.794 3.379 20 5 DGBDMO C[N@H+](Cc1ccc([N+](=O)[O-])cc1Cl)C[C@@H]1CCCC[C@@H]1O ZINC000182463395 432192933 /nfs/dbraw/zinc/19/29/33/432192933.db2.gz ATTWOMBNNJKKNO-WFASDCNBSA-N 1 1 312.797 3.231 20 5 DGBDMO C[C@H]1C[N@@H+](C[C@H](O)c2cccc([N+](=O)[O-])c2)[C@H]2CCCC[C@H]12 ZINC000182479884 432193446 /nfs/dbraw/zinc/19/34/46/432193446.db2.gz KTJAJTUUACQJMV-IEAZIUSSSA-N 1 1 304.390 3.139 20 5 DGBDMO C[C@@H](c1cccc([N+](=O)[O-])c1)[N@@H+]1CCC[C@H]1c1cnn(C)c1 ZINC000247193502 432210596 /nfs/dbraw/zinc/21/05/96/432210596.db2.gz BUDYQSPDODVEFF-LRDDRELGSA-N 1 1 300.362 3.226 20 5 DGBDMO C[C@@H](c1cccc([N+](=O)[O-])c1)[N@H+]1CCC[C@H]1c1cnn(C)c1 ZINC000247193502 432210599 /nfs/dbraw/zinc/21/05/99/432210599.db2.gz BUDYQSPDODVEFF-LRDDRELGSA-N 1 1 300.362 3.226 20 5 DGBDMO Cc1ccc(C)c([C@@H]2CCC[N@H+]2CCn2ccc([N+](=O)[O-])n2)c1 ZINC000133793971 196336673 /nfs/dbraw/zinc/33/66/73/196336673.db2.gz OKQSRZVSZWXZRO-INIZCTEOSA-N 1 1 314.389 3.245 20 5 DGBDMO CC[C@@H](O)C[N@@H+](Cc1ccccc1)Cc1ccccc1[N+](=O)[O-] ZINC000134478884 196395191 /nfs/dbraw/zinc/39/51/91/196395191.db2.gz RGVSLTOATTXCET-QGZVFWFLSA-N 1 1 314.385 3.368 20 5 DGBDMO Cc1c([C@@H](C)NC2C[C@H]3CC[C@@H](C2)[N@@H+]3C)cccc1[N+](=O)[O-] ZINC000295853840 225313307 /nfs/dbraw/zinc/31/33/07/225313307.db2.gz FCCIRBOHCMJPCK-FFHGMXDLSA-N 1 1 303.406 3.179 20 5 DGBDMO Cc1c([C@@H](C)[NH2+]C2C[C@H]3CC[C@@H](C2)N3C)cccc1[N+](=O)[O-] ZINC000295853840 225313314 /nfs/dbraw/zinc/31/33/14/225313314.db2.gz FCCIRBOHCMJPCK-FFHGMXDLSA-N 1 1 303.406 3.179 20 5 DGBDMO C[C@H](c1nnc(-c2ccc([N+](=O)[O-])cc2)o1)[N@H+]1CC[C@@H](C)C1 ZINC000299666191 229315719 /nfs/dbraw/zinc/31/57/19/229315719.db2.gz RFWHXCPHCCOGRC-GHMZBOCLSA-N 1 1 302.334 3.048 20 5 DGBDMO Cc1cc(N[C@H](C)C[N@@H+]2C[C@H](C)C[C@H](C)C2)ncc1[N+](=O)[O-] ZINC000301459854 229678339 /nfs/dbraw/zinc/67/83/39/229678339.db2.gz YDAIECYYFRUWFT-MBNYWOFBSA-N 1 1 306.410 3.077 20 5 DGBDMO Cc1cc(N[C@@H](C)[C@@H]2CCC[N@H+](C3CCC3)C2)ncc1[N+](=O)[O-] ZINC000302065249 230076112 /nfs/dbraw/zinc/07/61/12/230076112.db2.gz VUUIKRXNUJFTBE-UONOGXRCSA-N 1 1 318.421 3.363 20 5 DGBDMO O=[N+]([O-])c1ccc2ccnc(N[C@H]3CC[N@H+]4CCC[C@@H]4C3)c2c1 ZINC000413067899 230125770 /nfs/dbraw/zinc/12/57/70/230125770.db2.gz XHRLWTPXGVNCQD-UONOGXRCSA-N 1 1 312.373 3.182 20 5 DGBDMO C[C@H]1[C@H](Nc2nccc3ccc([N+](=O)[O-])cc32)CCC[N@H+]1C ZINC000413249847 230165937 /nfs/dbraw/zinc/16/59/37/230165937.db2.gz UBBYIXJODSACBC-XHDPSFHLSA-N 1 1 300.362 3.038 20 5 DGBDMO COc1cc(C[N@@H+](C)CCc2cccs2)c([N+](=O)[O-])cc1F ZINC000184224558 263608508 /nfs/dbraw/zinc/60/85/08/263608508.db2.gz FQVZIKLRCHGCQG-UHFFFAOYSA-N 1 1 324.377 3.479 20 5 DGBDMO C[C@H]1C[C@H](C[NH3+])CN1Cc1ccc(-c2ccc([N+](=O)[O-])cc2)o1 ZINC000346678641 264078713 /nfs/dbraw/zinc/07/87/13/264078713.db2.gz MKOAXQBODSROGM-QWHCGFSZSA-N 1 1 315.373 3.024 20 5 DGBDMO COC(=O)[C@H]1CC[N@@H+](Cc2ccc(C(C)C)c([N+](=O)[O-])c2)[C@@H]1C ZINC000347272080 264187247 /nfs/dbraw/zinc/18/72/47/264187247.db2.gz DFNYYMTWQHXSFP-DOMZBBRYSA-N 1 1 320.389 3.102 20 5 DGBDMO COC(=O)C[C@H]1CCC[N@H+]1C/C(C)=C\c1cccc([N+](=O)[O-])c1 ZINC000347356949 264205502 /nfs/dbraw/zinc/20/55/02/264205502.db2.gz DKWOSUDZSPACBD-UZGISAJGSA-N 1 1 318.373 3.026 20 5 DGBDMO Cc1c2ccccc2oc1[C@@H](C)[NH2+]Cc1c([N+](=O)[O-])ncn1C ZINC000348003217 264322404 /nfs/dbraw/zinc/32/24/04/264322404.db2.gz MPEFZJUTAUKJGM-LLVKDONJSA-N 1 1 314.345 3.234 20 5 DGBDMO O=C(CC[N@H+]1CCc2ccc([N+](=O)[O-])cc2C1)c1ccccc1 ZINC000348137171 264350086 /nfs/dbraw/zinc/35/00/86/264350086.db2.gz DBHDQAJZLQAVOA-UHFFFAOYSA-N 1 1 310.353 3.226 20 5 DGBDMO O=C(CC[N@@H+]1CCc2ccc([N+](=O)[O-])cc2C1)c1ccccc1 ZINC000348137171 264350087 /nfs/dbraw/zinc/35/00/87/264350087.db2.gz DBHDQAJZLQAVOA-UHFFFAOYSA-N 1 1 310.353 3.226 20 5 DGBDMO O=C(CC[N@H+]1CCCC2(CCC2)C1)Nc1ccc([N+](=O)[O-])cc1 ZINC000348195466 264362585 /nfs/dbraw/zinc/36/25/85/264362585.db2.gz XGJRHGZUSXOBEY-UHFFFAOYSA-N 1 1 317.389 3.190 20 5 DGBDMO Cn1ccnc1[C@H]([NH2+][C@@H]1CCC1(C)C)c1cccc([N+](=O)[O-])c1 ZINC000348293832 264384247 /nfs/dbraw/zinc/38/42/47/264384247.db2.gz POXJCDKTFPJXSE-HUUCEWRRSA-N 1 1 314.389 3.196 20 5 DGBDMO O=[N+]([O-])c1cccc(OCC[N@H+]2CCC=C(c3ccco3)C2)c1 ZINC000352550835 265085891 /nfs/dbraw/zinc/08/58/91/265085891.db2.gz RJUIHVNJUHPFLG-UHFFFAOYSA-N 1 1 314.341 3.356 20 5 DGBDMO CC[C@H]1CCC[N@H+]1Cc1cn(C)nc1-c1ccc([N+](=O)[O-])cc1 ZINC000352652256 265116196 /nfs/dbraw/zinc/11/61/96/265116196.db2.gz MOZZWEALSLUAIY-HNNXBMFYSA-N 1 1 314.389 3.370 20 5 DGBDMO COc1cc([N+](=O)[O-])ccc1C[N@H+]1CCCCC[C@H]1C[C@@H](C)O ZINC000352888912 265215460 /nfs/dbraw/zinc/21/54/60/265215460.db2.gz WHFLROHPPZGQIY-HIFRSBDPSA-N 1 1 322.405 3.119 20 5 DGBDMO CC(C)=CCC[NH2+][C@H](c1nccn1C)c1cccc([N+](=O)[O-])c1 ZINC000353687995 265512226 /nfs/dbraw/zinc/51/22/26/265512226.db2.gz NLMJCOKPTLFCHE-INIZCTEOSA-N 1 1 314.389 3.364 20 5 DGBDMO C[C@@H]1CC[N@@H+](Cc2ccc(-c3ccccc3[N+](=O)[O-])o2)[C@@H]1CO ZINC000191180251 432230845 /nfs/dbraw/zinc/23/08/45/432230845.db2.gz PLCXXMGRVNPCOJ-MLGOLLRUSA-N 1 1 316.357 3.058 20 5 DGBDMO CC[C@H](C)[N@H+](Cc1c([N+](=O)[O-])ncn1C)Cc1ccccc1 ZINC000355562066 266115458 /nfs/dbraw/zinc/11/54/58/266115458.db2.gz ZBFWEUYZVXWGAY-ZDUSSCGKSA-N 1 1 302.378 3.129 20 5 DGBDMO CC[C@H](C)[N@@H+](Cc1c([N+](=O)[O-])ncn1C)Cc1ccccc1 ZINC000355562066 266115461 /nfs/dbraw/zinc/11/54/61/266115461.db2.gz ZBFWEUYZVXWGAY-ZDUSSCGKSA-N 1 1 302.378 3.129 20 5 DGBDMO Cc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@@H+]1CCC[C@H](C)[C@@H]1C ZINC000172856858 432241271 /nfs/dbraw/zinc/24/12/71/432241271.db2.gz QVGPCVKSGLRFSP-JSGCOSHPSA-N 1 1 319.405 3.352 20 5 DGBDMO COc1ccncc1C[NH2+][C@@H]1CCCc2ccc([N+](=O)[O-])cc21 ZINC000294277067 274165100 /nfs/dbraw/zinc/16/51/00/274165100.db2.gz MDPUESUIIHWZJG-MRXNPFEDSA-N 1 1 313.357 3.166 20 5 DGBDMO Cc1cc(C[NH2+][C@H]2CCCCc3ccc([N+](=O)[O-])cc32)on1 ZINC000417318261 274697613 /nfs/dbraw/zinc/69/76/13/274697613.db2.gz YLDRGGOLWYRVSV-INIZCTEOSA-N 1 1 301.346 3.449 20 5 DGBDMO Cc1cc(N2CCC[C@@H]([C@@H](C)[NH3+])C2)c2cc([N+](=O)[O-])ccc2n1 ZINC000261958164 274705341 /nfs/dbraw/zinc/70/53/41/274705341.db2.gz XIYLZRDTLVRGNB-CHWSQXEVSA-N 1 1 314.389 3.015 20 5 DGBDMO O=[N+]([O-])c1cccc(Cl)c1C[N@@H+]1CC2(CCC2)[C@@H]2COC[C@H]21 ZINC000459773532 275039421 /nfs/dbraw/zinc/03/94/21/275039421.db2.gz PRBOCWKHOWGSED-IUODEOHRSA-N 1 1 322.792 3.249 20 5 DGBDMO O=[N+]([O-])c1cccc(Cl)c1C[N@H+]1CC2(CCC2)[C@@H]2COC[C@H]21 ZINC000459773532 275039422 /nfs/dbraw/zinc/03/94/22/275039422.db2.gz PRBOCWKHOWGSED-IUODEOHRSA-N 1 1 322.792 3.249 20 5 DGBDMO C[C@@H]([NH2+][C@H]1CCCc2ccc([N+](=O)[O-])cc21)c1ccn(C)n1 ZINC000414192797 278383508 /nfs/dbraw/zinc/38/35/08/278383508.db2.gz SZMMNTWHEXXVQA-BZNIZROVSA-N 1 1 300.362 3.057 20 5 DGBDMO Cc1cc([N+](=O)[O-])ccc1NC(=O)C[N@H+](C)[C@@H]1CCC[C@H](C)C1 ZINC000072561404 431339384 /nfs/dbraw/zinc/33/93/84/431339384.db2.gz MQFOVDRXUHASSV-GXTWGEPZSA-N 1 1 319.405 3.352 20 5 DGBDMO Cc1cc([N+](=O)[O-])ccc1NC(=O)C[N@H+](C)[C@H]1CCC[C@H](C)C1 ZINC000072561406 431340690 /nfs/dbraw/zinc/34/06/90/431340690.db2.gz MQFOVDRXUHASSV-JSGCOSHPSA-N 1 1 319.405 3.352 20 5 DGBDMO CN(CC[C@@H]1CCCC[N@H+]1C)Cc1c(F)cccc1[N+](=O)[O-] ZINC000075860559 431503835 /nfs/dbraw/zinc/50/38/35/431503835.db2.gz PXTNOMPJSHLFRK-ZDUSSCGKSA-N 1 1 309.385 3.040 20 5 DGBDMO CC(C)[C@H]1CCCC[N@H+]1Cc1cc([N+](=O)[O-])cc2c1OCOC2 ZINC000117349068 431561620 /nfs/dbraw/zinc/56/16/20/431561620.db2.gz PCRQCUYKIATMDM-MRXNPFEDSA-N 1 1 320.389 3.472 20 5 DGBDMO C[C@H]1CCC[C@H]([N@@H+](C)CC(=O)Nc2ccccc2[N+](=O)[O-])C1 ZINC000026468025 431675652 /nfs/dbraw/zinc/67/56/52/431675652.db2.gz LGXYSLZWAKHOQK-STQMWFEESA-N 1 1 305.378 3.044 20 5 DGBDMO C[C@H](Cc1ccc(O)cc1)[N@@H+](C)Cc1ccc([N+](=O)[O-])cc1 ZINC000119385822 431687634 /nfs/dbraw/zinc/68/76/34/431687634.db2.gz NYHAPPAIICMWSN-CYBMUJFWSA-N 1 1 300.358 3.363 20 5 DGBDMO Cc1ccc(C[N@H+]2CCC[C@@H](c3cc[nH]n3)C2)cc1[N+](=O)[O-] ZINC000121206016 431754381 /nfs/dbraw/zinc/75/43/81/431754381.db2.gz XVSWGYHSMJEJSH-CQSZACIVSA-N 1 1 300.362 3.006 20 5 DGBDMO C[C@H](C1CC1)[N@@H+](Cc1cc([N+](=O)[O-])cc2c1OCOC2)C1CC1 ZINC000031654382 431761030 /nfs/dbraw/zinc/76/10/30/431761030.db2.gz NKTMRKAPXSPGEH-LLVKDONJSA-N 1 1 318.373 3.224 20 5 DGBDMO Cc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@@H+]1CC[C@H](C)[C@H](C)C1 ZINC000123000293 431851397 /nfs/dbraw/zinc/85/13/97/431851397.db2.gz OIOBQHAEDUTMBB-GXTWGEPZSA-N 1 1 319.405 3.210 20 5 DGBDMO C[C@@H]1CC[C@@H](C)[NH+]1CC(=O)Nc1ccc(Cl)cc1[N+](=O)[O-] ZINC000123463564 431865855 /nfs/dbraw/zinc/86/58/55/431865855.db2.gz SMPDWUXVWPBZSK-NXEZZACHSA-N 1 1 311.769 3.060 20 5 DGBDMO CC(C)C[C@@H]1CCCC[N@H+]1Cc1ccc(C(N)=O)cc1[N+](=O)[O-] ZINC000123585107 431869305 /nfs/dbraw/zinc/86/93/05/431869305.db2.gz JLUOLWCLGNJULP-HNNXBMFYSA-N 1 1 319.405 3.094 20 5 DGBDMO CC(C)c1ccc(C[N@@H+](C)CCn2cccn2)cc1[N+](=O)[O-] ZINC000125289939 431920295 /nfs/dbraw/zinc/92/02/95/431920295.db2.gz NXUWYCRFLLHUPI-UHFFFAOYSA-N 1 1 302.378 3.047 20 5 DGBDMO O=[N+]([O-])c1ccccc1OCC[N@H+]1CCC[C@@H]1c1ccncc1 ZINC000125435129 431924974 /nfs/dbraw/zinc/92/49/74/431924974.db2.gz KHECEBJEZMJKBB-OAHLLOKOSA-N 1 1 313.357 3.206 20 5 DGBDMO COc1cc(C[N@@H+](C)[C@H](C)C2(C)CC2)c([N+](=O)[O-])cc1OC ZINC000091900577 431906906 /nfs/dbraw/zinc/90/69/06/431906906.db2.gz BYIXWOXEFDDKEC-LLVKDONJSA-N 1 1 308.378 3.232 20 5 DGBDMO Cc1noc([C@H]2CCC[N@H+]([C@@H](C)c3cccc([N+](=O)[O-])c3)C2)n1 ZINC000054676550 431972487 /nfs/dbraw/zinc/97/24/87/431972487.db2.gz PMZGICJBJMZXNR-FZMZJTMJSA-N 1 1 316.361 3.227 20 5 DGBDMO CC(C)[N@@H+](C)CCNc1ccc([N+](=O)[O-])cc1C(F)(F)F ZINC000054128380 431968068 /nfs/dbraw/zinc/96/80/68/431968068.db2.gz KAUPJYOKXDKXMT-UHFFFAOYSA-N 1 1 305.300 3.366 20 5 DGBDMO Cc1ccc([N+](=O)[O-])cc1[C@H](C)[N@H+]1CC[C@@H]2C[C@@H](O)CC[C@@H]2C1 ZINC000451705416 281021971 /nfs/dbraw/zinc/02/19/71/281021971.db2.gz YNEYQYLBTAMGPG-HWMZRRJGSA-N 1 1 318.417 3.447 20 5 DGBDMO Cc1cccc([N+](=O)[O-])c1N1CC[C@@H]2[C@H](CCC[N@H+]2C2CC2)C1 ZINC000161936226 281260232 /nfs/dbraw/zinc/26/02/32/281260232.db2.gz IWIQNBZDOPKMQH-GDBMZVCRSA-N 1 1 315.417 3.356 20 5 DGBDMO CCC[N@@H+](CC)[C@@H](C)c1nnc(-c2ccc([N+](=O)[O-])cc2)o1 ZINC000270688066 432277666 /nfs/dbraw/zinc/27/76/66/432277666.db2.gz DUUIEBCICJDQST-NSHDSACASA-N 1 1 304.350 3.438 20 5 DGBDMO C[C@@H](c1nnc(-c2ccc([N+](=O)[O-])cc2)o1)[N@H+]1CC[C@@H](C)[C@@H]1C ZINC000248343670 432279967 /nfs/dbraw/zinc/27/99/67/432279967.db2.gz KPFUVMQPNUPCGJ-WOPDTQHZSA-N 1 1 316.361 3.436 20 5 DGBDMO Cc1c([C@@H](C)N[C@H](C)C[NH+]2CCCCC2)cccc1[N+](=O)[O-] ZINC000151863301 432283281 /nfs/dbraw/zinc/28/32/81/432283281.db2.gz GFUCBUFJDNCJQF-UKRRQHHQSA-N 1 1 305.422 3.428 20 5 DGBDMO O=[N+]([O-])c1cccc(C[N@H+]2CC[C@@H](Oc3cccc(F)c3)C2)c1 ZINC000183355195 432284915 /nfs/dbraw/zinc/28/49/15/432284915.db2.gz GPSJFNAEXFQWRW-QGZVFWFLSA-N 1 1 316.332 3.387 20 5 DGBDMO Cc1ccc([N+](=O)[O-])cc1NC(=O)C[N@H+](C)[C@@H]1CCCC[C@H]1C ZINC000248526793 432298343 /nfs/dbraw/zinc/29/83/43/432298343.db2.gz GGUVLHFIKGZQGA-CZUORRHYSA-N 1 1 319.405 3.352 20 5 DGBDMO Cc1ccc(C[N@H+]2CCCC3(CCOCC3)C2)cc1[N+](=O)[O-] ZINC000271209550 432354986 /nfs/dbraw/zinc/35/49/86/432354986.db2.gz XPQTYRJSBVXTNL-UHFFFAOYSA-N 1 1 304.390 3.296 20 5 DGBDMO CC(C)n1cc(C[NH2+]Cc2ccc([N+](=O)[O-])cc2Cl)cn1 ZINC000183799761 432326860 /nfs/dbraw/zinc/32/68/60/432326860.db2.gz SOEITQYLGMHJLG-UHFFFAOYSA-N 1 1 308.769 3.315 20 5 DGBDMO CC[C@@H](CSc1ccccc1[N+](=O)[O-])[NH2+]CCCN(C)C ZINC000271106628 432330835 /nfs/dbraw/zinc/33/08/35/432330835.db2.gz GHGORYSYAOAHJE-ZDUSSCGKSA-N 1 1 311.451 3.007 20 5 DGBDMO CC[C@@H](CSC)[N@@H+](C)Cc1cc(OC)c(F)cc1[N+](=O)[O-] ZINC000184297077 432377040 /nfs/dbraw/zinc/37/70/40/432377040.db2.gz QHFLZCSQSOQMMZ-NSHDSACASA-N 1 1 316.398 3.316 20 5 DGBDMO C[C@H](c1cccc([N+](=O)[O-])c1)[N@H+]1CC[C@@H](C)[C@@H](n2ccnc2)C1 ZINC000252663865 432385451 /nfs/dbraw/zinc/38/54/51/432385451.db2.gz JKVGQHSLTMAJRD-CPUCHLNUSA-N 1 1 314.389 3.435 20 5 DGBDMO C[C@@H]1CCCC[C@@H]1[N@@H+](C)Cc1cc([N+](=O)[O-])cc2c1OCOC2 ZINC000192624785 432395762 /nfs/dbraw/zinc/39/57/62/432395762.db2.gz GMKNFFBMVXXKHB-WBMJQRKESA-N 1 1 320.389 3.472 20 5 DGBDMO O=[N+]([O-])c1ccc2c(c1)[C@H]([NH2+]C[C@@H]1CC[N@H+](C3CC3)C1)CCC2 ZINC000192657929 432396081 /nfs/dbraw/zinc/39/60/81/432396081.db2.gz QWAJBGVOHCTSDF-SCLBCKFNSA-N 1 1 315.417 3.046 20 5 DGBDMO O=[N+]([O-])c1ccc2c(c1)[C@H](NC[C@@H]1CC[N@@H+](C3CC3)C1)CCC2 ZINC000192657929 432396085 /nfs/dbraw/zinc/39/60/85/432396085.db2.gz QWAJBGVOHCTSDF-SCLBCKFNSA-N 1 1 315.417 3.046 20 5 DGBDMO O=[N+]([O-])c1ccc2c(c1)[C@H](NC[C@@H]1CC[N@H+](C3CC3)C1)CCC2 ZINC000192657929 432396090 /nfs/dbraw/zinc/39/60/90/432396090.db2.gz QWAJBGVOHCTSDF-SCLBCKFNSA-N 1 1 315.417 3.046 20 5 DGBDMO O=[N+]([O-])c1ccc2c(c1)[C@H]([NH2+]C[C@@H]1CCN(C3CC3)C1)CCC2 ZINC000192657929 432396096 /nfs/dbraw/zinc/39/60/96/432396096.db2.gz QWAJBGVOHCTSDF-SCLBCKFNSA-N 1 1 315.417 3.046 20 5 DGBDMO CC[C@@H]1C[N@@H+](Cc2ccc(-c3cccc([N+](=O)[O-])c3)o2)C[C@@H]1O ZINC000271273979 432365973 /nfs/dbraw/zinc/36/59/73/432365973.db2.gz KKJUYSNXVMQESF-WBMJQRKESA-N 1 1 316.357 3.058 20 5 DGBDMO COc1ccc([N+](=O)[O-])cc1C[NH2+][C@H]1CCCc2occc21 ZINC000192826363 432418086 /nfs/dbraw/zinc/41/80/86/432418086.db2.gz GEQOJRZKXYJUKH-AWEZNQCLSA-N 1 1 302.330 3.364 20 5 DGBDMO COCC[C@H]([NH2+]Cc1cccc([N+](=O)[O-])c1)c1ccc(C)o1 ZINC000272257209 432471827 /nfs/dbraw/zinc/47/18/27/432471827.db2.gz IYRRQDCZIXMWGN-HNNXBMFYSA-N 1 1 304.346 3.364 20 5 DGBDMO CCS[C@H]1CCCC[N@@H+](C[C@H](O)c2cccc([N+](=O)[O-])c2)C1 ZINC000154239808 432485123 /nfs/dbraw/zinc/48/51/23/432485123.db2.gz RLXFTLXNVFLJTD-HOTGVXAUSA-N 1 1 324.446 3.236 20 5 DGBDMO CC(C)[N@@H+](Cc1ccc(CO)o1)Cc1ccc([N+](=O)[O-])cc1 ZINC000154464798 432499366 /nfs/dbraw/zinc/49/93/66/432499366.db2.gz SBCJXVBEVBVORA-UHFFFAOYSA-N 1 1 304.346 3.091 20 5 DGBDMO CC[C@H]1[C@@H](C)CC[N@H+]1Cc1nnc(-c2ccc([N+](=O)[O-])cc2)o1 ZINC000185605601 432514702 /nfs/dbraw/zinc/51/47/02/432514702.db2.gz YCVOTZYBQQGORO-FZMZJTMJSA-N 1 1 316.361 3.265 20 5 DGBDMO Cc1c(NC(=O)[C@H](C)[N@@H+](C)CC(C)(C)C)cccc1[N+](=O)[O-] ZINC000263791722 432578124 /nfs/dbraw/zinc/57/81/24/432578124.db2.gz NRBGNRCSPNVPCH-LBPRGKRZSA-N 1 1 307.394 3.208 20 5 DGBDMO O=[N+]([O-])c1cccc(C[N@H+](C[C@@H](O)c2ccccc2)C2CC2)c1 ZINC000265458002 432701029 /nfs/dbraw/zinc/70/10/29/432701029.db2.gz YAIBWNCWBJHTEU-GOSISDBHSA-N 1 1 312.369 3.293 20 5 DGBDMO CC(C)[N@H+](Cc1ccc([N+](=O)[O-])cc1)C[C@H](O)CC(F)(F)F ZINC000188879436 432751042 /nfs/dbraw/zinc/75/10/42/432751042.db2.gz VIJIIJFJQJCOCR-CYBMUJFWSA-N 1 1 320.311 3.119 20 5 DGBDMO C[C@H](c1ccccc1[N+](=O)[O-])[N@@H+]1CCC[C@@H]1c1cnn(C)c1 ZINC000266534246 432762569 /nfs/dbraw/zinc/76/25/69/432762569.db2.gz NBSMBVKSDQAWQU-IUODEOHRSA-N 1 1 300.362 3.226 20 5 DGBDMO C[C@H](c1ccccc1[N+](=O)[O-])[N@H+]1CCC[C@@H]1c1cnn(C)c1 ZINC000266534246 432762572 /nfs/dbraw/zinc/76/25/72/432762572.db2.gz NBSMBVKSDQAWQU-IUODEOHRSA-N 1 1 300.362 3.226 20 5 DGBDMO Cc1cc([N+](=O)[O-])ccc1NC(=O)C[N@H+](C)[C@H]1CCCC[C@H]1C ZINC000245465378 432834255 /nfs/dbraw/zinc/83/42/55/432834255.db2.gz YKKDOZOJUIXEIA-WBMJQRKESA-N 1 1 319.405 3.352 20 5 DGBDMO Cc1ccc([N+](=O)[O-])cc1[C@H](C)[N@@H+](C)C[C@H]1CCCC[C@H]1O ZINC000245521006 432839565 /nfs/dbraw/zinc/83/95/65/432839565.db2.gz KFIOFFRPTWZVAM-JJRVBVJISA-N 1 1 306.406 3.447 20 5 DGBDMO O=[N+]([O-])c1ccc(C[N@H+]2CCCC3(CCOCC3)C2)c(F)c1 ZINC000267031050 432807971 /nfs/dbraw/zinc/80/79/71/432807971.db2.gz MOAOLPUPQSIMJO-UHFFFAOYSA-N 1 1 308.353 3.127 20 5 DGBDMO Cc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@@H+]1CC[C@H](C)[C@@H](C)C1 ZINC000245947273 432872888 /nfs/dbraw/zinc/87/28/88/432872888.db2.gz RYJMGQRRTGCIND-JSGCOSHPSA-N 1 1 319.405 3.210 20 5 DGBDMO CCC[C@]1(CO)CC[N@@H+](Cc2ccc([N+](=O)[O-])cc2Cl)C1 ZINC000288769568 432896162 /nfs/dbraw/zinc/89/61/62/432896162.db2.gz JMNJIGZEMDZLFK-HNNXBMFYSA-N 1 1 312.797 3.233 20 5 DGBDMO CCOc1cc(C[N@H+]2CC[C@@H](OC)C(C)(C)C2)ccc1[N+](=O)[O-] ZINC000296297844 432894452 /nfs/dbraw/zinc/89/44/52/432894452.db2.gz ZOJLIBNYRHDJNF-MRXNPFEDSA-N 1 1 322.405 3.240 20 5 DGBDMO Cc1ccc([N+](=O)[O-])cc1[C@H](C)N1CC[C@H]2[C@H](CCC[N@H+]2C)C1 ZINC000245535327 432840384 /nfs/dbraw/zinc/84/03/84/432840384.db2.gz WMBOBBCCUBPZRN-DAYGRLMNSA-N 1 1 317.433 3.380 20 5 DGBDMO CC[C@H]1CC[C@@H](C)[N@H+]1CC(=O)Nc1c(C)cccc1[N+](=O)[O-] ZINC000330654991 432922664 /nfs/dbraw/zinc/92/26/64/432922664.db2.gz MHONSHHZTGGOTO-OLZOCXBDSA-N 1 1 305.378 3.105 20 5 DGBDMO CCOC1CC2(C1)CC[N@@H+](Cc1ccc(C)c([N+](=O)[O-])c1)C2 ZINC000289224356 432936217 /nfs/dbraw/zinc/93/62/17/432936217.db2.gz CPICVBXDHKPGBU-UHFFFAOYSA-N 1 1 304.390 3.294 20 5 DGBDMO CC(C)C[C@@H]1CCC[N@H+]1Cc1nc2cc([N+](=O)[O-])ccc2[nH]1 ZINC000331434855 432940358 /nfs/dbraw/zinc/94/03/58/432940358.db2.gz GNQFQGNOCMCCCJ-LBPRGKRZSA-N 1 1 302.378 3.482 20 5 DGBDMO CC[N@@H+]1CC[C@H](CN[C@@H]2CC(C)(C)c3ccc([N+](=O)[O-])cc32)C1 ZINC000279214400 432946096 /nfs/dbraw/zinc/94/60/96/432946096.db2.gz YNSDUPQWDZYPLB-CXAGYDPISA-N 1 1 317.433 3.249 20 5 DGBDMO CC[N@H+]1CC[C@H](CN[C@@H]2CC(C)(C)c3ccc([N+](=O)[O-])cc32)C1 ZINC000279214400 432946098 /nfs/dbraw/zinc/94/60/98/432946098.db2.gz YNSDUPQWDZYPLB-CXAGYDPISA-N 1 1 317.433 3.249 20 5 DGBDMO C[C@@H]1C[C@@H](c2ccccc2)[C@@H](C)[N@H+]1CCn1cc([N+](=O)[O-])cn1 ZINC000296554345 432922066 /nfs/dbraw/zinc/92/20/66/432922066.db2.gz CBWXHOZJDUHJRO-CKEIUWERSA-N 1 1 314.389 3.058 20 5 DGBDMO C[C@H](c1ccccc1[N+](=O)[O-])[N@H+]1CCC[C@H](c2ccnn2C)C1 ZINC000332368591 433002425 /nfs/dbraw/zinc/00/24/25/433002425.db2.gz WJRGMENQKXGUAA-KGLIPLIRSA-N 1 1 314.389 3.269 20 5 DGBDMO O=[N+]([O-])c1ccc2c(c1)C[N@H+](CCCOc1ccccc1)CC2 ZINC000446734420 433095888 /nfs/dbraw/zinc/09/58/88/433095888.db2.gz KOCLTDCUWGHGCO-UHFFFAOYSA-N 1 1 312.369 3.422 20 5 DGBDMO CC(C)[C@@H](C)[N@@H+](C)Cc1nc(-c2cccc([N+](=O)[O-])c2)no1 ZINC000298405272 433126061 /nfs/dbraw/zinc/12/60/61/433126061.db2.gz HCAQEFZVVCJRDY-LLVKDONJSA-N 1 1 304.350 3.121 20 5 DGBDMO Cc1ccc([N+](=O)[O-])c(N2CC[C@H](C[N@@H+](C)CC3CC3)C2)c1 ZINC000447075710 433152885 /nfs/dbraw/zinc/15/28/85/433152885.db2.gz HFWVNTRNRMLVON-OAHLLOKOSA-N 1 1 303.406 3.071 20 5 DGBDMO C[C@H]1[C@@H](Nc2ccc([N+](=O)[O-])cn2)CC[N@H+]1Cc1ccccc1 ZINC000336719407 433186182 /nfs/dbraw/zinc/18/61/82/433186182.db2.gz SDUDYZMHQXEYCZ-BBRMVZONSA-N 1 1 312.373 3.065 20 5 DGBDMO C[C@@H](C1CCCCC1)[N@@H+](C)CC(=O)Nc1ccccc1[N+](=O)[O-] ZINC000447394184 433197881 /nfs/dbraw/zinc/19/78/81/433197881.db2.gz GGFDBQXLMYHVSA-ZDUSSCGKSA-N 1 1 319.405 3.434 20 5 DGBDMO O=[N+]([O-])c1cc(C[N@H+]2CC3(CCC3)[C@H]2C2CCOCC2)cs1 ZINC000425373385 433210797 /nfs/dbraw/zinc/21/07/97/433210797.db2.gz PUCBQTIQGMEYOG-OAHLLOKOSA-N 1 1 322.430 3.437 20 5 DGBDMO CC[N@H+](Cc1coc(-c2ccc([N+](=O)[O-])cc2)n1)C[C@@H](C)OC ZINC000361572009 433256978 /nfs/dbraw/zinc/25/69/78/433256978.db2.gz BOWMWCDXMQNEKG-GFCCVEGCSA-N 1 1 319.361 3.107 20 5 DGBDMO O=[N+]([O-])c1ccc(C[N@H+]2CC[C@H]([C@@H]3CCOC3)C2)c(Cl)c1 ZINC000374715947 433264060 /nfs/dbraw/zinc/26/40/60/433264060.db2.gz OIKVDYFWUPLIAL-WCQYABFASA-N 1 1 310.781 3.107 20 5 DGBDMO C[N@H+]1CCCC(C)(C)[C@@H]1CNc1c2c(ccc1[N+](=O)[O-])NCC2 ZINC000447809906 433284637 /nfs/dbraw/zinc/28/46/37/433284637.db2.gz DTRLYPYUOIMILK-HNNXBMFYSA-N 1 1 318.421 3.095 20 5 DGBDMO COc1cc(NC[C@@H]2[N@@H+](C)CCCC2(C)C)ccc1[N+](=O)[O-] ZINC000447815300 433290184 /nfs/dbraw/zinc/29/01/84/433290184.db2.gz CVIIRMBIAUYAGU-HNNXBMFYSA-N 1 1 307.394 3.136 20 5 DGBDMO O=[N+]([O-])c1cc(Cl)ccc1C[N@@H+]1CCC[C@H]1[C@H]1CCCO1 ZINC000375348447 433432893 /nfs/dbraw/zinc/43/28/93/433432893.db2.gz IZKNXGSSOBUJGF-DZGCQCFKSA-N 1 1 310.781 3.392 20 5 DGBDMO O=[N+]([O-])c1cc(Cl)ccc1C[N@H+]1CCC[C@H]1[C@H]1CCCO1 ZINC000375348447 433432902 /nfs/dbraw/zinc/43/29/02/433432902.db2.gz IZKNXGSSOBUJGF-DZGCQCFKSA-N 1 1 310.781 3.392 20 5 DGBDMO Cc1cc(NCC(C)(C)[N@@H+]2C[C@@H](C)O[C@@H](C)C2)ccc1[N+](=O)[O-] ZINC000301110272 433418583 /nfs/dbraw/zinc/41/85/83/433418583.db2.gz OPAHWDCYRRTFRM-OKILXGFUSA-N 1 1 321.421 3.203 20 5 DGBDMO O=[N+]([O-])c1cccc(Cl)c1C[N@@H+]1CCC[C@@H]1[C@H]1CCCO1 ZINC000342021876 433418751 /nfs/dbraw/zinc/41/87/51/433418751.db2.gz OWZDBJFHUUGTDF-HUUCEWRRSA-N 1 1 310.781 3.392 20 5 DGBDMO O=[N+]([O-])c1cccc(Cl)c1C[N@H+]1CCC[C@@H]1[C@H]1CCCO1 ZINC000342021876 433418758 /nfs/dbraw/zinc/41/87/58/433418758.db2.gz OWZDBJFHUUGTDF-HUUCEWRRSA-N 1 1 310.781 3.392 20 5 DGBDMO CC(=O)c1ccc(NCC[N@H+](C)C2CCCC2)c([N+](=O)[O-])c1 ZINC000301183007 433445637 /nfs/dbraw/zinc/44/56/37/433445637.db2.gz INPINTRZQNJHMT-UHFFFAOYSA-N 1 1 305.378 3.084 20 5 DGBDMO Cc1ccc(C[N@H+](CCO)Cc2cccc(F)c2)cc1[N+](=O)[O-] ZINC000426404482 433485448 /nfs/dbraw/zinc/48/54/48/433485448.db2.gz NIKKKJLYAOMMED-UHFFFAOYSA-N 1 1 318.348 3.037 20 5 DGBDMO Cc1ccc(C[N@@H+](CCO)Cc2cccc(F)c2)cc1[N+](=O)[O-] ZINC000426404482 433485454 /nfs/dbraw/zinc/48/54/54/433485454.db2.gz NIKKKJLYAOMMED-UHFFFAOYSA-N 1 1 318.348 3.037 20 5 DGBDMO Cc1ccnc(N[C@@H](C)C[N@@H+]2C[C@H](C)C[C@H](C)C2)c1[N+](=O)[O-] ZINC000301276683 433485453 /nfs/dbraw/zinc/48/54/53/433485453.db2.gz IZHSCYZIGCUSRY-SCRDCRAPSA-N 1 1 306.410 3.077 20 5 DGBDMO O=[N+]([O-])c1ccc(NC[C@@H]2CCC[N@H+]2Cc2ccccc2)nc1 ZINC000301266956 433481805 /nfs/dbraw/zinc/48/18/05/433481805.db2.gz GVNGERZQJXUOFL-HNNXBMFYSA-N 1 1 312.373 3.066 20 5 DGBDMO COc1cc(NC[C@H](C)[N@H+]2CCC[C@H](C)C2)ccc1[N+](=O)[O-] ZINC000301327946 433511371 /nfs/dbraw/zinc/51/13/71/433511371.db2.gz AAKPDMOGUHGXHF-STQMWFEESA-N 1 1 307.394 3.136 20 5 DGBDMO COc1cc(N[C@H]2CC[N@@H+](CC3CCCC3)C2)ccc1[N+](=O)[O-] ZINC000301416303 433541149 /nfs/dbraw/zinc/54/11/49/433541149.db2.gz AXTMDIPHWJFRRO-HNNXBMFYSA-N 1 1 319.405 3.280 20 5 DGBDMO O=C(C[N@H+]1CC[C@@H]2CCC[C@@H]21)Nc1ccc(Cl)cc1[N+](=O)[O-] ZINC000426454556 433503119 /nfs/dbraw/zinc/50/31/19/433503119.db2.gz QNKOUTOIWOWSTF-GWCFXTLKSA-N 1 1 323.780 3.061 20 5 DGBDMO O=[N+]([O-])c1cccc(-c2noc(C[N@H+]3CC[C@H]4CCC[C@H]43)n2)c1 ZINC000426466662 433505985 /nfs/dbraw/zinc/50/59/85/433505985.db2.gz GVLNCMBZGJLAIZ-BXUZGUMPSA-N 1 1 314.345 3.019 20 5 DGBDMO CC(C)c1noc([C@H](C)[N@H+](C)CCc2cccc([N+](=O)[O-])c2)n1 ZINC000282330383 433566928 /nfs/dbraw/zinc/56/69/28/433566928.db2.gz AXCVLGSGKDIYNO-LBPRGKRZSA-N 1 1 318.377 3.337 20 5 DGBDMO CC(C)c1noc([C@H](C)[N@@H+](C)CCc2cccc([N+](=O)[O-])c2)n1 ZINC000282330383 433566940 /nfs/dbraw/zinc/56/69/40/433566940.db2.gz AXCVLGSGKDIYNO-LBPRGKRZSA-N 1 1 318.377 3.337 20 5 DGBDMO CC[C@H](NCC[N@@H+]1CCC[C@H](C)C1)c1cccc([N+](=O)[O-])c1 ZINC000342289805 433586528 /nfs/dbraw/zinc/58/65/28/433586528.db2.gz PWHPTVXAPOGMER-YOEHRIQHSA-N 1 1 305.422 3.367 20 5 DGBDMO CC[C@@H](NCC[N@@H+]1CCC[C@@H](C)C1)c1cccc([N+](=O)[O-])c1 ZINC000342289803 433588208 /nfs/dbraw/zinc/58/82/08/433588208.db2.gz PWHPTVXAPOGMER-RHSMWYFYSA-N 1 1 305.422 3.367 20 5 DGBDMO C[C@@H](c1ccccc1[N+](=O)[O-])[N@@H+](C)C[C@H](O)Cc1ccccc1 ZINC000293145305 433632918 /nfs/dbraw/zinc/63/29/18/433632918.db2.gz BHQSRYRIEMKNLK-GOEBONIOSA-N 1 1 314.385 3.191 20 5 DGBDMO CC(C)[C@@H]1C[N@@H+](CCOc2ccc([N+](=O)[O-])cc2)CCS1 ZINC000362382699 433672118 /nfs/dbraw/zinc/67/21/18/433672118.db2.gz AFXIOROUXOWERH-HNNXBMFYSA-N 1 1 310.419 3.047 20 5 DGBDMO CC[C@@]1(C)CCC[N@@H+](CCC(=O)Nc2ccc([N+](=O)[O-])cc2)C1 ZINC000362384771 433678021 /nfs/dbraw/zinc/67/80/21/433678021.db2.gz LKBIVQOZCDVXBM-KRWDZBQOSA-N 1 1 319.405 3.436 20 5 DGBDMO C[C@@H]1C[N@@H+](CCC(=O)Nc2ccccc2[N+](=O)[O-])C(C)(C)C1 ZINC000283270143 433701609 /nfs/dbraw/zinc/70/16/09/433701609.db2.gz LFVMVCROMFZAGL-LBPRGKRZSA-N 1 1 305.378 3.044 20 5 DGBDMO Cc1cc([N+](=O)[O-])ccc1C[N@@H+]1CCC[C@@H](c2ccnn2C)C1 ZINC000370375965 293171759 /nfs/dbraw/zinc/17/17/59/293171759.db2.gz WBVGJJDYEMTBCJ-OAHLLOKOSA-N 1 1 314.389 3.016 20 5 DGBDMO COc1cc([N+](=O)[O-])ccc1C[N@@H+]1CCC[C@H]1c1ccncc1 ZINC000373788822 293316142 /nfs/dbraw/zinc/31/61/42/293316142.db2.gz LGDFQUHCUSCKNI-INIZCTEOSA-N 1 1 313.357 3.336 20 5 DGBDMO COc1cc([N+](=O)[O-])ccc1C[N@H+]1CCC[C@H]1c1ccncc1 ZINC000373788822 293316144 /nfs/dbraw/zinc/31/61/44/293316144.db2.gz LGDFQUHCUSCKNI-INIZCTEOSA-N 1 1 313.357 3.336 20 5 DGBDMO O=[N+]([O-])c1ccccc1/C=C/C[NH2+]Cc1nnc(C2CC2)s1 ZINC000414553642 433719407 /nfs/dbraw/zinc/71/94/07/433719407.db2.gz IXQAOVZYAGKYBC-HWKANZROSA-N 1 1 316.386 3.127 20 5 DGBDMO O=[N+]([O-])c1cc(C[N@H+]2CC[C@@H](CC3CC3)C2)c2c(c1)COCO2 ZINC000339675830 433726595 /nfs/dbraw/zinc/72/65/95/433726595.db2.gz RYNQHKWUAYWZLL-ZDUSSCGKSA-N 1 1 318.373 3.083 20 5 DGBDMO CN(c1ccc([N+](=O)[O-])c(C(F)(F)F)c1)[C@@H]1CCC[N@@H+](C)C1 ZINC000301839522 433753945 /nfs/dbraw/zinc/75/39/45/433753945.db2.gz XOMYUDPUSXYCQA-LLVKDONJSA-N 1 1 317.311 3.144 20 5 DGBDMO CCCCN1CCC([NH2+][C@H](C)Cc2ccccc2[N+](=O)[O-])CC1 ZINC000449099337 433724055 /nfs/dbraw/zinc/72/40/55/433724055.db2.gz NGILIEDEQIZOBX-OAHLLOKOSA-N 1 1 319.449 3.380 20 5 DGBDMO Cc1ccnc(N[C@H](C)C[N@@H+](C)Cc2ccccc2)c1[N+](=O)[O-] ZINC000302004604 433809557 /nfs/dbraw/zinc/80/95/57/433809557.db2.gz KJMTYTUGZWAALY-CQSZACIVSA-N 1 1 314.389 3.231 20 5 DGBDMO CC[N@H+]1C[C@H](C)N(c2ccnc3c2cccc3[N+](=O)[O-])C[C@H]1C ZINC000432345026 433822700 /nfs/dbraw/zinc/82/27/00/433822700.db2.gz FQOIVLLYQICHPT-OLZOCXBDSA-N 1 1 314.389 3.062 20 5 DGBDMO C[C@H](C1CCC1)[N@@H+](C)Cc1nc(-c2ccc([N+](=O)[O-])cc2)no1 ZINC000357024382 433829232 /nfs/dbraw/zinc/82/92/32/433829232.db2.gz MXIRUUCCHNVLCH-LLVKDONJSA-N 1 1 316.361 3.265 20 5 DGBDMO COC[C@@H]1CC[N@H+]1Cc1cc(=O)oc2ccc3ccccc3c12 ZINC000293689171 433830319 /nfs/dbraw/zinc/83/03/19/433830319.db2.gz WFNLIBXNGAFMQY-HNNXBMFYSA-N 1 1 309.365 3.167 20 5 DGBDMO Cn1cc[nH+]c1[C@H]1CCCN(c2ccc([N+](=O)[O-])cc2Cl)C1 ZINC000375945977 293593633 /nfs/dbraw/zinc/59/36/33/293593633.db2.gz FXEVQDKBSVAIQJ-NSHDSACASA-N 1 1 320.780 3.366 20 5 DGBDMO Cc1cc(N2CCC[C@@H]3C[N@@H+](C)CC[C@@H]32)c(Cl)cc1[N+](=O)[O-] ZINC000302715833 433837839 /nfs/dbraw/zinc/83/78/39/433837839.db2.gz FUOFKWOPRBALDJ-OCCSQVGLSA-N 1 1 323.824 3.477 20 5 DGBDMO C[N@H+]1CCC[C@@]2(CCN(C/C=C/c3ccccc3[N+](=O)[O-])C2)C1 ZINC000293729677 433845842 /nfs/dbraw/zinc/84/58/42/433845842.db2.gz USJZSQOAKXUMLW-WEBJUUICSA-N 1 1 315.417 3.026 20 5 DGBDMO C[C@H]1CCCC[N@H+]1C[C@@H]1CCCN(c2ccc([N+](=O)[O-])nc2)C1 ZINC000344415477 433868184 /nfs/dbraw/zinc/86/81/84/433868184.db2.gz IMWUIBGAIJTNRH-GJZGRUSLSA-N 1 1 318.421 3.081 20 5 DGBDMO O=[N+]([O-])c1cnn(CC[N@H+]2CCC[C@H]2CCC2CCCC2)c1 ZINC000362954007 433922647 /nfs/dbraw/zinc/92/26/47/433922647.db2.gz FQOHYXIWDQEDOP-HNNXBMFYSA-N 1 1 306.410 3.226 20 5 DGBDMO C[C@H]([NH2+]Cc1nc(C2CC2)cs1)c1ccc(N)c([N+](=O)[O-])c1 ZINC000285436916 433946852 /nfs/dbraw/zinc/94/68/52/433946852.db2.gz YVDXTKDBTWCQKL-VIFPVBQESA-N 1 1 318.402 3.362 20 5 DGBDMO C[C@@H]1CC[C@H](C)[N@@H+]1[C@H]1CCCN(Cc2cccc([N+](=O)[O-])c2)C1 ZINC000352298661 434031289 /nfs/dbraw/zinc/03/12/89/434031289.db2.gz ZWXJNPDWGVXBFD-DAYGRLMNSA-N 1 1 317.433 3.432 20 5 DGBDMO CCOC1CC2(C1)CC[N@@H+](Cc1ccc([N+](=O)[O-])cc1F)C2 ZINC000285565682 433998418 /nfs/dbraw/zinc/99/84/18/433998418.db2.gz SZSXCLYJQLUYIX-UHFFFAOYSA-N 1 1 308.353 3.125 20 5 DGBDMO C[C@@H]1C[C@H](Nc2nccc3c2cccc3[N+](=O)[O-])CC[N@H+]1C ZINC000450353813 434124699 /nfs/dbraw/zinc/12/46/99/434124699.db2.gz HBPUTWCYKHMEBI-VXGBXAGGSA-N 1 1 300.362 3.038 20 5 DGBDMO CC[C@@H]1C[C@H](C)C[N@H+]1CCC(=O)Nc1ccccc1[N+](=O)[O-] ZINC000500125953 294104900 /nfs/dbraw/zinc/10/49/00/294104900.db2.gz QLVUJBGHSSXIBX-QWHCGFSZSA-N 1 1 305.378 3.044 20 5 DGBDMO C[C@@H]1[N@@H+](CCc2ccc([N+](=O)[O-])cc2)CCC12CCOCC2 ZINC000363792842 434149700 /nfs/dbraw/zinc/14/97/00/434149700.db2.gz GSASHMWCHXHHEL-AWEZNQCLSA-N 1 1 304.390 3.028 20 5 DGBDMO CC[N@H+]1C[C@H](C)N(c2nccc3cc([N+](=O)[O-])ccc32)C[C@H]1C ZINC000450411866 434157575 /nfs/dbraw/zinc/15/75/75/434157575.db2.gz OGYUJIIBPUULBU-OLZOCXBDSA-N 1 1 314.389 3.062 20 5 DGBDMO C[N@@H+](CCc1cccc(Nc2ccc([N+](=O)[O-])nc2)c1)C1CC1 ZINC000450426143 434170170 /nfs/dbraw/zinc/17/01/70/434170170.db2.gz VVBQZCNRQIYABI-UHFFFAOYSA-N 1 1 312.373 3.370 20 5 DGBDMO CCC[N@@H+](CC)C[C@H](C)Nc1ncc(Cl)cc1[N+](=O)[O-] ZINC000357778517 434174452 /nfs/dbraw/zinc/17/44/52/434174452.db2.gz CUOGDSJBWRXESP-JTQLQIEISA-N 1 1 300.790 3.176 20 5 DGBDMO N[C@H]1CCCCC[C@H]1[NH2+]CCc1ccc(Cl)cc1[N+](=O)[O-] ZINC000423039440 434184685 /nfs/dbraw/zinc/18/46/85/434184685.db2.gz FLJUYYQRFJZIPK-UONOGXRCSA-N 1 1 311.813 3.040 20 5 DGBDMO [NH3+][C@H]1CCCCC[C@H]1NCCc1ccc(Cl)cc1[N+](=O)[O-] ZINC000423039440 434184695 /nfs/dbraw/zinc/18/46/95/434184695.db2.gz FLJUYYQRFJZIPK-UONOGXRCSA-N 1 1 311.813 3.040 20 5 DGBDMO C[C@H]1[C@H](Nc2nccc3c2cccc3[N+](=O)[O-])CCC[N@H+]1C ZINC000450442728 434185006 /nfs/dbraw/zinc/18/50/06/434185006.db2.gz TYYSXBGPMXKPOH-SMDDNHRTSA-N 1 1 300.362 3.038 20 5 DGBDMO CO[C@H]1CC[N@@H+](C/C=C/c2ccccc2[N+](=O)[O-])CC1(C)C ZINC000295104300 434201081 /nfs/dbraw/zinc/20/10/81/434201081.db2.gz VILOTEVKXPLQDM-BVBGJJFLSA-N 1 1 304.390 3.355 20 5 DGBDMO Cc1ccc(C)c([C@H](C)[N@@H+](C)CCn2ccc([N+](=O)[O-])n2)c1 ZINC000357917425 434244467 /nfs/dbraw/zinc/24/44/67/434244467.db2.gz RIORKHIZVZAYRA-AWEZNQCLSA-N 1 1 302.378 3.101 20 5 DGBDMO CC(C)[N@@H+](C)C[C@@H](C)Nc1ccnc2c1cccc2[N+](=O)[O-] ZINC000320123296 434233166 /nfs/dbraw/zinc/23/31/66/434233166.db2.gz JFOXOWKPLXZKQT-GFCCVEGCSA-N 1 1 302.378 3.284 20 5 DGBDMO CC1(C)C[C@@H](O)CC[N@@H+](C/C=C/c2ccccc2[N+](=O)[O-])C1 ZINC000295262847 434280508 /nfs/dbraw/zinc/28/05/08/434280508.db2.gz RIXQVVFGJLEISB-ZKKXHLJNSA-N 1 1 304.390 3.091 20 5 DGBDMO O=[N+]([O-])c1ccccc1OCC[N@H+]1CCS[C@H]2CCCC[C@H]21 ZINC000437544414 434288239 /nfs/dbraw/zinc/28/82/39/434288239.db2.gz ZLHNGSUKHBJZOF-ZBFHGGJFSA-N 1 1 322.430 3.334 20 5 DGBDMO [NH3+][C@@H](CN[C@H]1CCCc2ccc([N+](=O)[O-])cc21)c1ccccc1 ZINC000423238831 434302928 /nfs/dbraw/zinc/30/29/28/434302928.db2.gz JOXQONQIXUMZIW-ROUUACIJSA-N 1 1 311.385 3.262 20 5 DGBDMO CC(C)[N@H+]1CC[C@H](CNc2ccc([N+](=O)[O-])c3cnccc23)C1 ZINC000390463924 434363641 /nfs/dbraw/zinc/36/36/41/434363641.db2.gz FRPROSKFPPPIDN-CYBMUJFWSA-N 1 1 314.389 3.285 20 5 DGBDMO C[N@@H+](Cc1ccc(-c2cccc([N+](=O)[O-])c2)o1)[C@@H]1CCC[C@@H]1O ZINC000348562490 434404178 /nfs/dbraw/zinc/40/41/78/434404178.db2.gz ZRWJQPPKIXUWTB-CVEARBPZSA-N 1 1 316.357 3.200 20 5 DGBDMO C[N@@H+](Cc1ccc(-c2cccc([N+](=O)[O-])c2)o1)[C@@H]1CCCOC1 ZINC000348714414 434461611 /nfs/dbraw/zinc/46/16/11/434461611.db2.gz NRCHZWSPVPWHHY-OAHLLOKOSA-N 1 1 316.357 3.466 20 5 DGBDMO COc1cc(C[N@H+]2CCC[C@H](C(C)C)C2)c([N+](=O)[O-])cc1OC ZINC000438345554 434464351 /nfs/dbraw/zinc/46/43/51/434464351.db2.gz HWSLSBZNZVULGK-ZDUSSCGKSA-N 1 1 322.405 3.480 20 5 DGBDMO CC(C)[C@H]1CCC[N@@H+](Cc2cc([N+](=O)[O-])cc3c2OCOC3)C1 ZINC000438337940 434458051 /nfs/dbraw/zinc/45/80/51/434458051.db2.gz BQUAFYLFSFURRW-ZDUSSCGKSA-N 1 1 320.389 3.329 20 5 DGBDMO CC(C)Cc1ccc([C@H](C)[NH2+]Cc2c([N+](=O)[O-])ncn2C)cc1 ZINC000341048069 434509973 /nfs/dbraw/zinc/50/99/73/434509973.db2.gz CCXORQGGPVSYDK-ZDUSSCGKSA-N 1 1 316.405 3.378 20 5 DGBDMO CCc1ccc([N+](=O)[O-])cc1NC(=O)N[C@@H](C)C[N@@H+](C)C(C)C ZINC000353930247 434534062 /nfs/dbraw/zinc/53/40/62/434534062.db2.gz LJCNHEYQJCCKHN-LBPRGKRZSA-N 1 1 322.409 3.007 20 5 DGBDMO COc1cc(C[N@H+]2C[C@H](C)[C@H](C)[C@@H]2C)c([N+](=O)[O-])cc1OC ZINC000418111649 434589784 /nfs/dbraw/zinc/58/97/84/434589784.db2.gz AEONYIMINBFNKC-SRVKXCTJSA-N 1 1 308.378 3.088 20 5 DGBDMO CCOC(=O)c1coc(C[NH2+][C@@H](C)c2cccc([N+](=O)[O-])c2)c1 ZINC000354133748 434637812 /nfs/dbraw/zinc/63/78/12/434637812.db2.gz JOXKTMQBBMEQDP-NSHDSACASA-N 1 1 318.329 3.215 20 5 DGBDMO Cc1ccc(C[NH+]2CC(COc3ccccc3)C2)cc1[N+](=O)[O-] ZINC000459627408 434638962 /nfs/dbraw/zinc/63/89/62/434638962.db2.gz BGMLGZNIJSBYSR-UHFFFAOYSA-N 1 1 312.369 3.414 20 5 DGBDMO C[N@@H+](CCC(=O)Nc1ccccc1[N+](=O)[O-])C1CC(C)(C)C1 ZINC000459753279 434698128 /nfs/dbraw/zinc/69/81/28/434698128.db2.gz LWVDARZPDBKCEY-UHFFFAOYSA-N 1 1 305.378 3.044 20 5 DGBDMO C[C@@H]1CC[N@@H+](Cc2ccc(-c3ccc([N+](=O)[O-])cc3)o2)C[C@@H]1O ZINC000349356660 434688789 /nfs/dbraw/zinc/68/87/89/434688789.db2.gz VYVANRNULMLDSQ-WBMJQRKESA-N 1 1 316.357 3.058 20 5 DGBDMO COc1cc(C[N@@H+](C)C2CC(C)(C)C2)c([N+](=O)[O-])cc1OC ZINC000459742336 434689995 /nfs/dbraw/zinc/68/99/95/434689995.db2.gz VTIDLMAZUKZJAG-UHFFFAOYSA-N 1 1 308.378 3.232 20 5 DGBDMO CC(C)c1ccc(C[NH2+][C@@H](C)c2ccn(C)n2)cc1[N+](=O)[O-] ZINC000459759834 434701673 /nfs/dbraw/zinc/70/16/73/434701673.db2.gz RHMBWVXSOKKCBJ-LBPRGKRZSA-N 1 1 302.378 3.303 20 5 DGBDMO O=[N+]([O-])c1ccc(C[N@H+]2CCC[C@@H](C[C@@H]3CCOC3)C2)cc1 ZINC000371442631 434703870 /nfs/dbraw/zinc/70/38/70/434703870.db2.gz KBWUVKNVTNVGOW-HOTGVXAUSA-N 1 1 304.390 3.233 20 5 DGBDMO C[C@H](C1CC1)[N@@H+](CCC(=O)Nc1ccc([N+](=O)[O-])cc1)C1CC1 ZINC000411173266 434739993 /nfs/dbraw/zinc/73/99/93/434739993.db2.gz LQRKRIZHHHYZNX-GFCCVEGCSA-N 1 1 317.389 3.186 20 5 DGBDMO Cc1nn(C)cc1[C@H]1CCC[N@H+]1Cc1cccc([N+](=O)[O-])c1C ZINC000371944614 434774199 /nfs/dbraw/zinc/77/41/99/434774199.db2.gz WJHGWUOVMAOEPU-QGZVFWFLSA-N 1 1 314.389 3.282 20 5 DGBDMO Cc1c(NC(=O)[C@H](C)[N@H+]2C[C@H](C)[C@@H](C)[C@H]2C)cccc1[N+](=O)[O-] ZINC000419381375 434781761 /nfs/dbraw/zinc/78/17/61/434781761.db2.gz YJUABSWJRYNSGZ-UNJBNNCHSA-N 1 1 319.405 3.207 20 5 DGBDMO O=[N+]([O-])c1ccc([C@@H]2CCC[N@H+](CCC3(O)CCC3)C2)cc1 ZINC000411795673 434831523 /nfs/dbraw/zinc/83/15/23/434831523.db2.gz VFGOCTMMEPTZBR-OAHLLOKOSA-N 1 1 304.390 3.079 20 5 DGBDMO Cc1c(C[N@H+]2C[C@@H](O)C[C@@H]2c2ccccc2)cccc1[N+](=O)[O-] ZINC000411956531 434848479 /nfs/dbraw/zinc/84/84/79/434848479.db2.gz WDPXDZBPQKXEGB-FUHWJXTLSA-N 1 1 312.369 3.211 20 5 DGBDMO C[C@@H]1CC(C)(C)C[N@H+]1CCC(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000412041352 434859089 /nfs/dbraw/zinc/85/90/89/434859089.db2.gz LFFLDWAICDMJQH-GFCCVEGCSA-N 1 1 305.378 3.044 20 5 DGBDMO C[C@H](C(=O)Nc1ccc([N+](=O)[O-])cc1)[N@H+]1CC(C)(C)C[C@H]1C ZINC000412041451 434859401 /nfs/dbraw/zinc/85/94/01/434859401.db2.gz LIJNQRSDDUEJHY-VXGBXAGGSA-N 1 1 305.378 3.042 20 5 DGBDMO C[N@H+](CCOc1ccc(F)cc1)Cc1ccc([N+](=O)[O-])cc1F ZINC000491943482 434887051 /nfs/dbraw/zinc/88/70/51/434887051.db2.gz WAXHHPIHDFRQKU-UHFFFAOYSA-N 1 1 322.311 3.384 20 5 DGBDMO C[N@@H+](CCOc1ccc(F)cc1)Cc1ccc([N+](=O)[O-])cc1F ZINC000491943482 434887056 /nfs/dbraw/zinc/88/70/56/434887056.db2.gz WAXHHPIHDFRQKU-UHFFFAOYSA-N 1 1 322.311 3.384 20 5 DGBDMO C[N@H+](CCOc1ccccc1F)Cc1ccc([N+](=O)[O-])cc1F ZINC000491958883 434889494 /nfs/dbraw/zinc/88/94/94/434889494.db2.gz NSIWPNBVDHEEDL-UHFFFAOYSA-N 1 1 322.311 3.384 20 5 DGBDMO C[N@@H+](CCOc1ccccc1F)Cc1ccc([N+](=O)[O-])cc1F ZINC000491958883 434889499 /nfs/dbraw/zinc/88/94/99/434889499.db2.gz NSIWPNBVDHEEDL-UHFFFAOYSA-N 1 1 322.311 3.384 20 5 DGBDMO O=[N+]([O-])c1cc(F)c(C[N@@H+]2CC[C@@H](c3ccncc3)C2)c(F)c1 ZINC000521894273 434900044 /nfs/dbraw/zinc/90/00/44/434900044.db2.gz NLVHYTGGYXUZOR-GFCCVEGCSA-N 1 1 319.311 3.258 20 5 DGBDMO O=[N+]([O-])c1cc(F)c(C[N@H+]2CC[C@@H](c3ccncc3)C2)c(F)c1 ZINC000521894273 434900045 /nfs/dbraw/zinc/90/00/45/434900045.db2.gz NLVHYTGGYXUZOR-GFCCVEGCSA-N 1 1 319.311 3.258 20 5 DGBDMO CCC[N@@H+](CC)C[C@@H](C)N[C@@H]1CCc2c1cccc2[N+](=O)[O-] ZINC000574219962 434960913 /nfs/dbraw/zinc/96/09/13/434960913.db2.gz YFOUUNOJWYOQKU-CZUORRHYSA-N 1 1 305.422 3.292 20 5 DGBDMO CCCN(CC)C[C@@H](C)[NH2+][C@@H]1CCc2c1cccc2[N+](=O)[O-] ZINC000574219962 434960915 /nfs/dbraw/zinc/96/09/15/434960915.db2.gz YFOUUNOJWYOQKU-CZUORRHYSA-N 1 1 305.422 3.292 20 5 DGBDMO CCOc1ccc([N+](=O)[O-])cc1C[N@H+]1C[C@@H](C)S[C@@H](C)C1 ZINC000556837458 435028377 /nfs/dbraw/zinc/02/83/77/435028377.db2.gz WJJVWBHDFZIKOZ-TXEJJXNPSA-N 1 1 310.419 3.319 20 5 DGBDMO CCOc1ccc([N+](=O)[O-])cc1C[N@@H+]1C[C@@H](C)S[C@@H](C)C1 ZINC000556837458 435028382 /nfs/dbraw/zinc/02/83/82/435028382.db2.gz WJJVWBHDFZIKOZ-TXEJJXNPSA-N 1 1 310.419 3.319 20 5 DGBDMO CCO[C@H]1C[C@@H]([N@@H+](C)CCOc2ccccc2[N+](=O)[O-])C1(C)C ZINC000524893396 434996750 /nfs/dbraw/zinc/99/67/50/434996750.db2.gz QOZIWFMBITZPTO-CVEARBPZSA-N 1 1 322.405 3.109 20 5 DGBDMO CC[C@@H]1C[C@H](C)C[N@H+]1Cc1nc(-c2cccc([N+](=O)[O-])c2)no1 ZINC000466928547 435100502 /nfs/dbraw/zinc/10/05/02/435100502.db2.gz FIRGWNVBWITAKU-WCQYABFASA-N 1 1 316.361 3.265 20 5 DGBDMO CC[C@H]1C[C@@H](C)C[N@H+]1CCOc1ccc(OC)cc1[N+](=O)[O-] ZINC000466931583 435101944 /nfs/dbraw/zinc/10/19/44/435101944.db2.gz XCKAUAWHMBJQKG-OLZOCXBDSA-N 1 1 308.378 3.103 20 5 DGBDMO O=[N+]([O-])c1cc(Cl)ccc1C[N@@H+]1CCOC[C@H](C2CCC2)C1 ZINC000578946799 435119792 /nfs/dbraw/zinc/11/97/92/435119792.db2.gz FYOXTHIJUISMAA-CQSZACIVSA-N 1 1 324.808 3.497 20 5 DGBDMO O=[N+]([O-])c1cc(Cl)ccc1C[N@H+]1CCOC[C@H](C2CCC2)C1 ZINC000578946799 435119796 /nfs/dbraw/zinc/11/97/96/435119796.db2.gz FYOXTHIJUISMAA-CQSZACIVSA-N 1 1 324.808 3.497 20 5 DGBDMO O=[N+]([O-])c1ccc2oc(C[N@H+]3CC[C@@H](c4cccnc4)C3)nc2c1 ZINC000567798014 435355540 /nfs/dbraw/zinc/35/55/40/435355540.db2.gz IJCULMZAIHQECQ-CYBMUJFWSA-N 1 1 324.340 3.121 20 5 DGBDMO Cc1c([C@H](C)NCC2([NH+](C)C)CCCC2)cccc1[N+](=O)[O-] ZINC000480146531 435366591 /nfs/dbraw/zinc/36/65/91/435366591.db2.gz JLEDOUQRLKXKNO-AWEZNQCLSA-N 1 1 305.422 3.428 20 5 DGBDMO COc1cccc(N[C@@H]2C[N@@H+](C)Cc3ccccc32)c1[N+](=O)[O-] ZINC000536560487 435387665 /nfs/dbraw/zinc/38/76/65/435387665.db2.gz UWEPFHZPXNKQHW-OAHLLOKOSA-N 1 1 313.357 3.202 20 5 DGBDMO Cc1ccc([N+](=O)[O-])cc1[C@H](C)[NH2+]C1CCN(C(C)C)CC1 ZINC000537972714 435478504 /nfs/dbraw/zinc/47/85/04/435478504.db2.gz YPWCRSZIWIWJPC-AWEZNQCLSA-N 1 1 305.422 3.427 20 5 DGBDMO CC(C)[N@H+]1CC[C@@H](CNc2nccc3c2cccc3[N+](=O)[O-])C1 ZINC000515367165 435479700 /nfs/dbraw/zinc/47/97/00/435479700.db2.gz WKFHFBLRYVJHTH-ZDUSSCGKSA-N 1 1 314.389 3.285 20 5 DGBDMO O=[N+]([O-])c1cccc(C[N@H+](C[C@@H]2CCCC[C@H]2O)C2CC2)c1 ZINC000514605711 435424975 /nfs/dbraw/zinc/42/49/75/435424975.db2.gz OPKQZNRSCASVPV-WMLDXEAASA-N 1 1 304.390 3.110 20 5 DGBDMO Cc1c(NC(=O)[C@@H](C)[N@@H+]2CCC(C)=C(C)C2)cccc1[N+](=O)[O-] ZINC000483356502 435514891 /nfs/dbraw/zinc/51/48/91/435514891.db2.gz MAFKHRLFYOBFOH-CQSZACIVSA-N 1 1 317.389 3.272 20 5 DGBDMO Cc1c(NC(=O)[C@@H](C)[N@H+]2CCC(C)=C(C)C2)cccc1[N+](=O)[O-] ZINC000483356502 435514897 /nfs/dbraw/zinc/51/48/97/435514897.db2.gz MAFKHRLFYOBFOH-CQSZACIVSA-N 1 1 317.389 3.272 20 5 DGBDMO CC[N@@H+]1CCCC[C@H]1CN[C@H](C)c1ccc(C)c([N+](=O)[O-])c1 ZINC000482864344 435485149 /nfs/dbraw/zinc/48/51/49/435485149.db2.gz AQXTYVGAJQNWQV-ZBFHGGJFSA-N 1 1 305.422 3.428 20 5 DGBDMO CC[N@H+]1CCCC[C@H]1CN[C@H](C)c1ccc(C)c([N+](=O)[O-])c1 ZINC000482864344 435485155 /nfs/dbraw/zinc/48/51/55/435485155.db2.gz AQXTYVGAJQNWQV-ZBFHGGJFSA-N 1 1 305.422 3.428 20 5 DGBDMO Cc1cc([N+](=O)[O-])ccc1NC(=O)C[N@H+](C)[C@@H]1CCC(C)(C)C1 ZINC000483111182 435495928 /nfs/dbraw/zinc/49/59/28/435495928.db2.gz ZRAGQAKGMSKNDT-CQSZACIVSA-N 1 1 319.405 3.352 20 5 DGBDMO C[C@H]1C[N@@H+](C)C[C@H]1C(=O)Nc1ccc(C(C)(C)C)c([N+](=O)[O-])c1 ZINC000488333125 435636461 /nfs/dbraw/zinc/63/64/61/435636461.db2.gz CMPDZNSFBVDGBJ-WCQYABFASA-N 1 1 319.405 3.029 20 5 DGBDMO Cc1cccc(N2CC[N@H+](C3CCC3)C[C@H](C)C2)c1[N+](=O)[O-] ZINC000549198642 435749067 /nfs/dbraw/zinc/74/90/67/435749067.db2.gz RIBBNMGFKIYUQC-ZDUSSCGKSA-N 1 1 303.406 3.214 20 5 DGBDMO CCC[N@@H+](CC)C[C@H](C)Nc1ccc([N+](=O)[O-])cc1COC ZINC000571936139 435761489 /nfs/dbraw/zinc/76/14/89/435761489.db2.gz YBWXEXBTIWQTJL-ZDUSSCGKSA-N 1 1 309.410 3.274 20 5 DGBDMO COC1(C[N@@H+](C)CCc2cccc([N+](=O)[O-])c2)CCCCC1 ZINC000549807751 435779214 /nfs/dbraw/zinc/77/92/14/435779214.db2.gz AEUJJHVAVQGVPK-UHFFFAOYSA-N 1 1 306.406 3.418 20 5 DGBDMO C[C@H]1COc2ccccc2C[N@H+]1CCc1ccc([N+](=O)[O-])cc1 ZINC000542947990 314108123 /nfs/dbraw/zinc/10/81/23/314108123.db2.gz NPLDNUDYIIVHGT-AWEZNQCLSA-N 1 1 312.369 3.420 20 5 DGBDMO CC[C@H]([NH2+][C@H](C)c1ccc(C)c([N+](=O)[O-])c1)c1ccn(C)n1 ZINC000544574174 314200079 /nfs/dbraw/zinc/20/00/79/314200079.db2.gz MJWCWKOKPRASDJ-OCCSQVGLSA-N 1 1 302.378 3.439 20 5 DGBDMO C[N@@H+]1CC=C(CNc2ccc([N+](=O)[O-])c(OC(C)(C)C)c2)CC1 ZINC000545474598 314253680 /nfs/dbraw/zinc/25/36/80/314253680.db2.gz UFCCPUHKBYMCBN-UHFFFAOYSA-N 1 1 319.405 3.446 20 5 DGBDMO Cc1n[nH]cc1C1CC[NH+](Cc2ccc([N+](=O)[O-])cc2F)CC1 ZINC000560186047 314906217 /nfs/dbraw/zinc/90/62/17/314906217.db2.gz ZJINGKHXEAPSOG-UHFFFAOYSA-N 1 1 318.352 3.145 20 5 DGBDMO Cc1ccc([N+](=O)[O-])cc1[C@H](C)N[C@H]1CC[N@H+]2CCCC[C@H]12 ZINC000564508160 315179717 /nfs/dbraw/zinc/17/97/17/315179717.db2.gz BJXQWNIUQAHQLH-RRQGHBQHSA-N 1 1 303.406 3.181 20 5 DGBDMO Cc1ccc([N+](=O)[O-])cc1[C@H](C)[NH2+][C@H]1CCN2CCCC[C@H]12 ZINC000564508160 315179719 /nfs/dbraw/zinc/17/97/19/315179719.db2.gz BJXQWNIUQAHQLH-RRQGHBQHSA-N 1 1 303.406 3.181 20 5 DGBDMO CCCC[N@@H+](C)C[C@H](C)NC(=O)c1ccc(CC)c([N+](=O)[O-])c1 ZINC000575364435 316050103 /nfs/dbraw/zinc/05/01/03/316050103.db2.gz QXYDMQXPWRSXCZ-ZDUSSCGKSA-N 1 1 321.421 3.007 20 5 DGBDMO O=[N+]([O-])c1cccc2c1CC[C@@H]2NCC[NH+]1CCCCCC1 ZINC000576886685 316178881 /nfs/dbraw/zinc/17/88/81/316178881.db2.gz MKCWJYRXURRLTN-INIZCTEOSA-N 1 1 303.406 3.048 20 5 DGBDMO COC(=O)c1oc(C[NH2+][C@@H](C)c2cccc([N+](=O)[O-])c2)cc1C ZINC000180436746 323229126 /nfs/dbraw/zinc/22/91/26/323229126.db2.gz AXTGCUKWXOALGL-NSHDSACASA-N 1 1 318.329 3.134 20 5 DGBDMO CCC[C@H]([NH2+]Cc1snnc1C)c1cccc([N+](=O)[O-])c1 ZINC000384198968 323627981 /nfs/dbraw/zinc/62/79/81/323627981.db2.gz ZMZGQHUXBURCFR-ZDUSSCGKSA-N 1 1 306.391 3.386 20 5 DGBDMO Cc1ccc2nc(C[NH2+][C@@H]3CCc4c3cccc4[N+](=O)[O-])cn2c1 ZINC000578786897 323783829 /nfs/dbraw/zinc/78/38/29/323783829.db2.gz XWKDGZIBQSKTAB-MRXNPFEDSA-N 1 1 322.368 3.328 20 5 DGBDMO CC(C)(CN[C@@H]1CCc2c1cccc2[N+](=O)[O-])[NH+]1CCCCC1 ZINC000580843970 324045873 /nfs/dbraw/zinc/04/58/73/324045873.db2.gz KLXFZKPQDSRONK-MRXNPFEDSA-N 1 1 317.433 3.436 20 5 DGBDMO CCC[N@@H+]1CCC[C@H]1CN[C@H](C)c1cc([N+](=O)[O-])ccc1C ZINC000581147904 324080908 /nfs/dbraw/zinc/08/09/08/324080908.db2.gz VFIBGJYGQIDDDN-ZBFHGGJFSA-N 1 1 305.422 3.428 20 5 DGBDMO CCC[N@H+]1CCC[C@H]1CN[C@H](C)c1cc([N+](=O)[O-])ccc1C ZINC000581147904 324080909 /nfs/dbraw/zinc/08/09/09/324080909.db2.gz VFIBGJYGQIDDDN-ZBFHGGJFSA-N 1 1 305.422 3.428 20 5 DGBDMO C[C@H]1CC[C@@H]([N@@H+](CCO)Cc2ccc([N+](=O)[O-])cc2Cl)C1 ZINC000330867227 533709337 /nfs/dbraw/zinc/70/93/37/533709337.db2.gz VODYGPABHJSQOQ-WCQYABFASA-N 1 1 312.797 3.231 20 5 DGBDMO C[C@@H]1C[C@H](C)C[N@H+](CCCCNc2ncc([N+](=O)[O-])cc2F)C1 ZINC000413055808 533799267 /nfs/dbraw/zinc/79/92/67/533799267.db2.gz BPNQCBFJMYQPHZ-BETUJISGSA-N 1 1 324.400 3.299 20 5 DGBDMO Cc1c(C[N@H+]2CCCC[C@H]2c2cnn(C)c2)cccc1[N+](=O)[O-] ZINC000331926217 533842281 /nfs/dbraw/zinc/84/22/81/533842281.db2.gz PAJPXTDETMLBJC-KRWDZBQOSA-N 1 1 314.389 3.364 20 5 DGBDMO Cc1c(C[N@@H+]2CCCC[C@H]2c2cnn(C)c2)cccc1[N+](=O)[O-] ZINC000331926217 533842294 /nfs/dbraw/zinc/84/22/94/533842294.db2.gz PAJPXTDETMLBJC-KRWDZBQOSA-N 1 1 314.389 3.364 20 5 DGBDMO COC(=O)c1coc([C@@H](C)[NH2+]Cc2cccc([N+](=O)[O-])c2C)c1 ZINC000447602088 534324216 /nfs/dbraw/zinc/32/42/16/534324216.db2.gz SNUXFSWOPVNXMG-LLVKDONJSA-N 1 1 318.329 3.134 20 5 DGBDMO C[C@@H]1C[N@@H+](CCC(=O)Nc2ccc([N+](=O)[O-])cc2)C(C)(C)C1 ZINC000331360170 534460748 /nfs/dbraw/zinc/46/07/48/534460748.db2.gz XMIWMNIEGWASRW-LBPRGKRZSA-N 1 1 305.378 3.044 20 5 DGBDMO [NH3+]CCC[C@@H](NCc1csc([N+](=O)[O-])c1)c1ccccc1 ZINC000415060725 534621129 /nfs/dbraw/zinc/62/11/29/534621129.db2.gz XJPNTGFFIKMLFO-CQSZACIVSA-N 1 1 305.403 3.226 20 5 DGBDMO Cc1c(C[N@@H+]2CC[C@H](C)[C@H](n3ccnc3)C2)cccc1[N+](=O)[O-] ZINC000156435680 525708091 /nfs/dbraw/zinc/70/80/91/525708091.db2.gz HIXWXGBXWYIPAP-SUMWQHHRSA-N 1 1 314.389 3.183 20 5 DGBDMO O=[N+]([O-])c1ccc2ccnc(N3CCC[C@@H](c4[nH]cc[nH+]4)C3)c2c1 ZINC000413114530 534884228 /nfs/dbraw/zinc/88/42/28/534884228.db2.gz DWJYWOOZYPGNPK-CYBMUJFWSA-N 1 1 323.356 3.250 20 5 DGBDMO O=[N+]([O-])c1cccc(Cl)c1C[N@@H+]1CCOC[C@H](C2CCC2)C1 ZINC000429239588 534885652 /nfs/dbraw/zinc/88/56/52/534885652.db2.gz GTZGYYZWLSNMHK-CYBMUJFWSA-N 1 1 324.808 3.497 20 5 DGBDMO O=[N+]([O-])c1cccc(Cl)c1C[N@H+]1CCOC[C@H](C2CCC2)C1 ZINC000429239588 534885653 /nfs/dbraw/zinc/88/56/53/534885653.db2.gz GTZGYYZWLSNMHK-CYBMUJFWSA-N 1 1 324.808 3.497 20 5 DGBDMO CCC[C@@]1(CO)CCC[N@H+]1Cc1ccc(Cl)cc1[N+](=O)[O-] ZINC000331301663 527945905 /nfs/dbraw/zinc/94/59/05/527945905.db2.gz ROBYIOOWUWSDLL-HNNXBMFYSA-N 1 1 312.797 3.375 20 5 DGBDMO CCC[C@@]1(CO)CCC[N@H+]1Cc1ccc([N+](=O)[O-])c(OCC)c1 ZINC000444768970 527946589 /nfs/dbraw/zinc/94/65/89/527946589.db2.gz GWKLESGLVWVECI-KRWDZBQOSA-N 1 1 322.405 3.121 20 5 DGBDMO CCC[C@]1(CO)CCC[N@H+]1Cc1c(Cl)cccc1[N+](=O)[O-] ZINC000444784276 528516492 /nfs/dbraw/zinc/51/64/92/528516492.db2.gz NOMYAAXSPGVFMK-OAHLLOKOSA-N 1 1 312.797 3.375 20 5 DGBDMO CC[N@@H+](CCNc1nccc2ccc([N+](=O)[O-])cc21)C(C)C ZINC000413119017 528519114 /nfs/dbraw/zinc/51/91/14/528519114.db2.gz WKTXEJDSCVOCJV-UHFFFAOYSA-N 1 1 302.378 3.285 20 5 DGBDMO CC(C)[C@@H]1CCC[N@H+]([C@H](C)C(=O)Nc2ccc([N+](=O)[O-])cc2)C1 ZINC000444774481 528669444 /nfs/dbraw/zinc/66/94/44/528669444.db2.gz WNDHIAXAWKBLRV-ZIAGYGMSSA-N 1 1 319.405 3.290 20 5 DGBDMO CCCCCC[N@@H+](C)CC(=O)N(C)Cc1ccccc1[N+](=O)[O-] ZINC000732268376 574569726 /nfs/dbraw/zinc/56/97/26/574569726.db2.gz DCSDPKNUSVCNTF-UHFFFAOYSA-N 1 1 321.421 3.065 20 5 DGBDMO Cc1cccc(C[N@H+](CC(C)C)Cn2nccc2[N+](=O)[O-])c1 ZINC000746053852 575428811 /nfs/dbraw/zinc/42/88/11/575428811.db2.gz OEAXMPALPFBSAG-UHFFFAOYSA-N 1 1 302.378 3.215 20 5 DGBDMO Cc1cccc(C[N@@H+](CC(C)C)Cn2nccc2[N+](=O)[O-])c1 ZINC000746053852 575428814 /nfs/dbraw/zinc/42/88/14/575428814.db2.gz OEAXMPALPFBSAG-UHFFFAOYSA-N 1 1 302.378 3.215 20 5 DGBDMO Cc1cc(F)ccc1[C@@H](O)C[N@H+](C)Cc1ccccc1[N+](=O)[O-] ZINC000746654244 575467105 /nfs/dbraw/zinc/46/71/05/575467105.db2.gz IAXKMRPDOIBKLF-KRWDZBQOSA-N 1 1 318.348 3.208 20 5 DGBDMO C[C@@H]1CN(C(=O)c2cc3ccccc3c3cccnc23)CC[N@@H+]1C ZINC000748348427 575582544 /nfs/dbraw/zinc/58/25/44/575582544.db2.gz GGRAPNXRNPRPBY-CQSZACIVSA-N 1 1 319.408 3.164 20 5 DGBDMO C[C@@H]1CN(C(=O)c2cc3ccccc3c3cccnc23)CC[N@H+]1C ZINC000748348427 575582546 /nfs/dbraw/zinc/58/25/46/575582546.db2.gz GGRAPNXRNPRPBY-CQSZACIVSA-N 1 1 319.408 3.164 20 5 DGBDMO CC(C)C[C@@H]1CCC[N@H+]1Cn1ncc2ccc([N+](=O)[O-])cc21 ZINC000748792964 575607262 /nfs/dbraw/zinc/60/72/62/575607262.db2.gz USAJXACHKFQLEW-AWEZNQCLSA-N 1 1 302.378 3.413 20 5 DGBDMO O=[N+]([O-])c1ccc(Cl)c(C[N@H+]2CCC[C@@H]([C@H]3CCOC3)C2)c1 ZINC000749558953 575665057 /nfs/dbraw/zinc/66/50/57/575665057.db2.gz KDZXNMOILVDIBI-OLZOCXBDSA-N 1 1 324.808 3.497 20 5 DGBDMO O=[N+]([O-])c1ccc(Cl)cc1C[NH+]1CCC(c2c[nH]cn2)CC1 ZINC000751482163 575786609 /nfs/dbraw/zinc/78/66/09/575786609.db2.gz HQBXZTBITHGOSX-UHFFFAOYSA-N 1 1 320.780 3.351 20 5 DGBDMO CO[C@@]1(C)C[C@H]([N@@H+](C)Cc2cc(F)ccc2[N+](=O)[O-])C1(C)C ZINC000752074878 575821119 /nfs/dbraw/zinc/82/11/19/575821119.db2.gz JAAQRYQMUOTFNT-HOCLYGCPSA-N 1 1 310.369 3.369 20 5 DGBDMO CC[C@@H]1CCC[N@@H+](Cn2ncc3cc([N+](=O)[O-])ccc32)CC1 ZINC000738253933 576015729 /nfs/dbraw/zinc/01/57/29/576015729.db2.gz JHEYPNAQWKCYBV-CYBMUJFWSA-N 1 1 302.378 3.414 20 5 DGBDMO C[C@H](CNc1ccc([N+](=O)[O-])cc1[N+](=O)[O-])[N@H+]1CCCC[C@H]1C ZINC000917064689 620654594 /nfs/dbraw/zinc/65/45/94/620654594.db2.gz GLEAXIZQYIZYNQ-VXGBXAGGSA-N 1 1 322.365 3.178 20 5 DGBDMO CC[N@@H+](CCc1ccccc1)Cn1ncc2cc([N+](=O)[O-])ccc21 ZINC000917466754 620670789 /nfs/dbraw/zinc/67/07/89/620670789.db2.gz NIXIOWGJUMVZAE-UHFFFAOYSA-N 1 1 324.384 3.467 20 5 DGBDMO O=[N+]([O-])c1ccc(Br)c(Cn2cc[nH+]c2C2CC2)c1 ZINC000918455416 620707733 /nfs/dbraw/zinc/70/77/33/620707733.db2.gz IOKHQFMCPKTFNI-UHFFFAOYSA-N 1 1 322.162 3.480 20 5 DGBDMO Cc1ccc([N+](=O)[O-])c(N[C@H]2CC[N@H+](C3CCCCC3)C2)n1 ZINC000853851619 620745667 /nfs/dbraw/zinc/74/56/67/620745667.db2.gz XRAPWKGSSBBRKH-ZDUSSCGKSA-N 1 1 304.394 3.117 20 5 DGBDMO COc1c(O)ccc(C[N@H+](C)Cc2cccc(C)c2)c1[N+](=O)[O-] ZINC000891600894 617848469 /nfs/dbraw/zinc/84/84/69/617848469.db2.gz CZGPQCNNSHJAGQ-UHFFFAOYSA-N 1 1 316.357 3.249 20 5 DGBDMO COc1c(O)ccc(C[N@@H+](C)Cc2cccc(C)c2)c1[N+](=O)[O-] ZINC000891600894 617848476 /nfs/dbraw/zinc/84/84/76/617848476.db2.gz CZGPQCNNSHJAGQ-UHFFFAOYSA-N 1 1 316.357 3.249 20 5 DGBDMO O=[N+]([O-])c1c(F)cccc1NC[C@@H]1CCC[N@@H+](CC2CC2)C1 ZINC000854000540 620761249 /nfs/dbraw/zinc/76/12/49/620761249.db2.gz ZVUFTWSGIPLBML-ZDUSSCGKSA-N 1 1 307.369 3.268 20 5 DGBDMO CC[N@H+]1CCC[C@H](CNCc2ccc(Cl)cc2[N+](=O)[O-])C1 ZINC000892743943 618299961 /nfs/dbraw/zinc/29/99/61/618299961.db2.gz WZFMYVMNYGRADX-GFCCVEGCSA-N 1 1 311.813 3.070 20 5 DGBDMO O=[N+]([O-])c1ccc(Cl)c(Cl)c1N[C@H]1Cc2c[nH+]cn2C1 ZINC000894997658 618509069 /nfs/dbraw/zinc/50/90/69/618509069.db2.gz XJBCLIDSYDKSMQ-ZETCQYMHSA-N 1 1 313.144 3.135 20 5 DGBDMO O=[N+]([O-])c1ccc(C[NH+]2CC(CC3CCOCC3)C2)cc1Cl ZINC000895615120 618807311 /nfs/dbraw/zinc/80/73/11/618807311.db2.gz JMMPELMAGYQORQ-UHFFFAOYSA-N 1 1 324.808 3.497 20 5 DGBDMO CC[C@H]([NH2+][C@H](C)c1cc(OC)no1)c1cccc([N+](=O)[O-])c1 ZINC000925229453 619086328 /nfs/dbraw/zinc/08/63/28/619086328.db2.gz GIAFTXCJPFTGMC-MFKMUULPSA-N 1 1 305.334 3.393 20 5 DGBDMO C[C@H](C[NH2+][C@H]1C[C@H](N)c2ccccc21)c1ccccc1[N+](=O)[O-] ZINC000902428320 619634227 /nfs/dbraw/zinc/63/42/27/619634227.db2.gz BULKSIIIEWTMAI-DQYPLSBCSA-N 1 1 311.385 3.433 20 5 DGBDMO C[C@H](CN[C@H]1C[C@H]([NH3+])c2ccccc21)c1ccccc1[N+](=O)[O-] ZINC000902428320 619634228 /nfs/dbraw/zinc/63/42/28/619634228.db2.gz BULKSIIIEWTMAI-DQYPLSBCSA-N 1 1 311.385 3.433 20 5 DGBDMO Cc1ccc([C@H](C)[NH2+][C@@H]2Cc3ccccc3[C@H]2N)cc1[N+](=O)[O-] ZINC000902447583 619639554 /nfs/dbraw/zinc/63/95/54/619639554.db2.gz ZTJKNAZLCWSCQJ-BJOOFOGMSA-N 1 1 311.385 3.179 20 5 DGBDMO Cc1ccc([C@H](C)[NH2+][C@H](c2nncn2C)C(C)C)cc1[N+](=O)[O-] ZINC000903060989 619708245 /nfs/dbraw/zinc/70/82/45/619708245.db2.gz JCKPVWZWOBBNPC-WFASDCNBSA-N 1 1 317.393 3.080 20 5 DGBDMO Cc1ccc([C@@H](C)[NH2+][C@@H](c2nncn2C)C(C)C)cc1[N+](=O)[O-] ZINC000903060987 619708340 /nfs/dbraw/zinc/70/83/40/619708340.db2.gz JCKPVWZWOBBNPC-IUODEOHRSA-N 1 1 317.393 3.080 20 5 DGBDMO COc1cc([C@H](C)[NH2+][C@@H]2CCCc3cn[nH]c32)cc([N+](=O)[O-])c1 ZINC000903123489 619721817 /nfs/dbraw/zinc/72/18/17/619721817.db2.gz AJLHZJOATKPQPR-ZUZCIYMTSA-N 1 1 316.361 3.055 20 5 DGBDMO COc1cc([C@H](C)[NH2+][C@@H]2CCCc3c[nH]nc32)cc([N+](=O)[O-])c1 ZINC000903123489 619721818 /nfs/dbraw/zinc/72/18/18/619721818.db2.gz AJLHZJOATKPQPR-ZUZCIYMTSA-N 1 1 316.361 3.055 20 5 DGBDMO Cc1c(CNC2C[C@H]3CC[C@@H](C2)[N@@H+]3C2CC2)cccc1[N+](=O)[O-] ZINC000903157187 619726654 /nfs/dbraw/zinc/72/66/54/619726654.db2.gz ADYZUCGZXRARDH-ZXFUBFMLSA-N 1 1 315.417 3.151 20 5 DGBDMO C[C@H]([NH2+]Cc1ccnn1C1CCC1)c1ccccc1[N+](=O)[O-] ZINC000921966449 620974464 /nfs/dbraw/zinc/97/44/64/620974464.db2.gz JGRYNAVCTVDPPZ-LBPRGKRZSA-N 1 1 300.362 3.367 20 5 DGBDMO C[C@@H](C(=O)OCc1cc(F)ccc1[N+](=O)[O-])[NH+]1CCCCCC1 ZINC000114250646 620994775 /nfs/dbraw/zinc/99/47/75/620994775.db2.gz VTBZLVSJYUTPQQ-LBPRGKRZSA-N 1 1 324.352 3.042 20 5 DGBDMO O=[N+]([O-])c1ccc(Cl)cc1C[NH2+]Cc1cccc2c1OCC2 ZINC000922945474 621134545 /nfs/dbraw/zinc/13/45/45/621134545.db2.gz ZFHAYOWHQKRJLZ-UHFFFAOYSA-N 1 1 318.760 3.473 20 5 DGBDMO O=[N+]([O-])c1ccc(Cl)c(CNC[C@@H]2CC[N@H+]2C2CCCC2)c1 ZINC000858285198 621171369 /nfs/dbraw/zinc/17/13/69/621171369.db2.gz JBVOYILAENWOSE-HNNXBMFYSA-N 1 1 323.824 3.355 20 5 DGBDMO O=[N+]([O-])c1ccc(Cl)c(C[NH2+]C[C@@H]2CCN2C2CCCC2)c1 ZINC000858285198 621171371 /nfs/dbraw/zinc/17/13/71/621171371.db2.gz JBVOYILAENWOSE-HNNXBMFYSA-N 1 1 323.824 3.355 20 5 DGBDMO COc1cc([N+](=O)[O-])ccc1[C@H](C)[NH2+][C@@H](C)c1ccns1 ZINC000858577753 621206173 /nfs/dbraw/zinc/20/61/73/621206173.db2.gz VKEVBPLGJGRXSW-UWVGGRQHSA-N 1 1 307.375 3.472 20 5 DGBDMO C[N@@H+](Cc1cc(Cl)cc(Cl)c1[N+](=O)[O-])CC1(C)COC1 ZINC000859572855 621292977 /nfs/dbraw/zinc/29/29/77/621292977.db2.gz RSTGEDAKVLTHAZ-UHFFFAOYSA-N 1 1 319.188 3.370 20 5 DGBDMO O=[N+]([O-])c1cc(C[N@@H+]2CCCC[C@@H]2C2(O)CC2)ccc1Cl ZINC000839140106 621340428 /nfs/dbraw/zinc/34/04/28/621340428.db2.gz NTFDBFMQDVXKPF-CQSZACIVSA-N 1 1 310.781 3.128 20 5 DGBDMO O=[N+]([O-])c1ccc(F)cc1C[N@@H+]1CC[C@@H](O)[C@H](C2CCCC2)C1 ZINC000839199301 621350278 /nfs/dbraw/zinc/35/02/78/621350278.db2.gz JBNMPURSQAVNLD-DOTOQJQBSA-N 1 1 322.380 3.107 20 5 DGBDMO C/C=C\C[C@@H]1CCC[N@@H+](C[C@@H](O)c2ccc([N+](=O)[O-])cc2)C1 ZINC000860183108 621378325 /nfs/dbraw/zinc/37/83/25/621378325.db2.gz GHIRGEAQJGUFEA-FNGHRWMPSA-N 1 1 304.390 3.306 20 5 DGBDMO Cc1ccc(N2CCC(C[N@H+](C)C(C)C)CC2)c([N+](=O)[O-])c1 ZINC000754052265 621483001 /nfs/dbraw/zinc/48/30/01/621483001.db2.gz GSKDQRVIMJJDNL-UHFFFAOYSA-N 1 1 305.422 3.460 20 5 DGBDMO O=[N+]([O-])c1ccc(Cl)c(C[N@H+]2CCC[C@@H]3COCC[C@H]32)c1 ZINC000756903083 621671935 /nfs/dbraw/zinc/67/19/35/621671935.db2.gz ZIISGRHOSMQKKK-IAQYHMDHSA-N 1 1 310.781 3.249 20 5 DGBDMO Cc1ccc([C@@H](C)[NH2+]Cc2cn(C3CC3)cn2)cc1[N+](=O)[O-] ZINC000865485108 621933117 /nfs/dbraw/zinc/93/31/17/621933117.db2.gz LVHOBFCMWKQWAO-GFCCVEGCSA-N 1 1 300.362 3.285 20 5 DGBDMO Cc1nn(C[N@@H+]2CCC[C@@H](C)CC2)c2cc([N+](=O)[O-])ccc12 ZINC000761289194 621999372 /nfs/dbraw/zinc/99/93/72/621999372.db2.gz DEZDKZHEWZBYGW-GFCCVEGCSA-N 1 1 302.378 3.332 20 5 DGBDMO CC[C@H]1CCC[N@@H+](Cn2nc(C)c3ccc([N+](=O)[O-])cc32)C1 ZINC000761287815 621999690 /nfs/dbraw/zinc/99/96/90/621999690.db2.gz HFMBQSHYMLIKTK-ZDUSSCGKSA-N 1 1 302.378 3.332 20 5 DGBDMO O=[N+]([O-])c1ccc(C[N@H+]2CCC[C@H]([C@@H]3CCOC3)C2)cc1Cl ZINC000761516154 622014146 /nfs/dbraw/zinc/01/41/46/622014146.db2.gz ZBOJYWVEZLAQPE-UONOGXRCSA-N 1 1 324.808 3.497 20 5 DGBDMO O=[N+]([O-])c1ccc2[nH+]ccc(N3CC[C@H]4CSC[C@H]4C3)c2c1 ZINC000866200914 622064727 /nfs/dbraw/zinc/06/47/27/622064727.db2.gz MNMQATFMVZKSER-NWDGAFQWSA-N 1 1 315.398 3.332 20 5 DGBDMO CC(=O)c1c(NC[C@H](c2ccco2)[NH+](C)C)cccc1[N+](=O)[O-] ZINC000763207550 622129925 /nfs/dbraw/zinc/12/99/25/622129925.db2.gz WYVKZRZWJZZPGB-CQSZACIVSA-N 1 1 317.345 3.105 20 5 DGBDMO Cc1nn(C[N@@H+]2CCCCC[C@H]2C)c2ccc([N+](=O)[O-])cc12 ZINC000765017017 622240139 /nfs/dbraw/zinc/24/01/39/622240139.db2.gz XKUSTLZJRSMJRV-GFCCVEGCSA-N 1 1 302.378 3.475 20 5 DGBDMO Cc1c([C@@H](C)NC[C@@H](C)[NH+]2CCCCC2)cccc1[N+](=O)[O-] ZINC000765253080 622253713 /nfs/dbraw/zinc/25/37/13/622253713.db2.gz KXKFHSPRKJUYNE-UKRRQHHQSA-N 1 1 305.422 3.428 20 5 DGBDMO CCC1(CC)C[N@@H+](C[C@H](O)c2ccc([N+](=O)[O-])cc2)CCS1 ZINC000766990118 622366857 /nfs/dbraw/zinc/36/68/57/622366857.db2.gz GOEKCRHJVKERIX-HNNXBMFYSA-N 1 1 324.446 3.236 20 5 DGBDMO Cc1[nH+]ccn1CCCCOC(=O)c1cccc(C)c1[N+](=O)[O-] ZINC000769086025 622497142 /nfs/dbraw/zinc/49/71/42/622497142.db2.gz WZIOQALEZMAUCF-UHFFFAOYSA-N 1 1 317.345 3.045 20 5 DGBDMO Cc1[nH+]ccn1CCCCOC(=O)c1ccc([N+](=O)[O-])c(C)c1 ZINC000769084988 622497183 /nfs/dbraw/zinc/49/71/83/622497183.db2.gz ROGDANIDWVDGPU-UHFFFAOYSA-N 1 1 317.345 3.045 20 5 DGBDMO CCC[C@@]1(CO)CCC[N@H+]1Cc1cc(Cl)ccc1[N+](=O)[O-] ZINC000769914170 622576157 /nfs/dbraw/zinc/57/61/57/622576157.db2.gz VVRUYPBDTCMXAG-HNNXBMFYSA-N 1 1 312.797 3.375 20 5 DGBDMO COc1ccc(C[NH2+][C@H](C)c2cccc(O)c2F)cc1[N+](=O)[O-] ZINC000872028297 622760967 /nfs/dbraw/zinc/76/09/67/622760967.db2.gz ITMOAKOVGPVPBK-SNVBAGLBSA-N 1 1 320.320 3.299 20 5 DGBDMO Cc1ccc([C@H](O)C[NH2+][C@H](C)c2c(F)cccc2[N+](=O)[O-])o1 ZINC000872039952 622768895 /nfs/dbraw/zinc/76/88/95/622768895.db2.gz WVBFYTURIPVRML-ZWNOBZJWSA-N 1 1 308.309 3.020 20 5 DGBDMO Cc1cc(C[C@@H](C)[NH2+][C@H](C)c2c(F)cccc2[N+](=O)[O-])n[nH]1 ZINC000872049961 622775332 /nfs/dbraw/zinc/77/53/32/622775332.db2.gz XNVGYKKPOGMAMT-MWLCHTKSSA-N 1 1 306.341 3.047 20 5 DGBDMO C[C@H](N[C@H]1CCC[N@H+]2CCCC[C@H]12)c1c(F)cccc1[N+](=O)[O-] ZINC000872085622 622796471 /nfs/dbraw/zinc/79/64/71/622796471.db2.gz QCUKDLURFHHHPR-AEGPPILISA-N 1 1 321.396 3.401 20 5 DGBDMO C[C@H]([NH2+][C@H]1CCCN2CCCC[C@H]12)c1c(F)cccc1[N+](=O)[O-] ZINC000872085622 622796475 /nfs/dbraw/zinc/79/64/75/622796475.db2.gz QCUKDLURFHHHPR-AEGPPILISA-N 1 1 321.396 3.401 20 5 DGBDMO O=[N+]([O-])c1cccc([C@@H](O)C[NH2+][C@@H](CF)c2ccc(F)cc2)c1 ZINC000872236691 622864546 /nfs/dbraw/zinc/86/45/46/622864546.db2.gz SZNTXDMSJQGYNL-HOTGVXAUSA-N 1 1 322.311 3.068 20 5 DGBDMO C[C@H]1c2ccsc2CC[N@@H+]1C[C@@H](O)c1ccc([N+](=O)[O-])cc1 ZINC000776275176 623404834 /nfs/dbraw/zinc/40/48/34/623404834.db2.gz JMHVKWAELABVMX-XHDPSFHLSA-N 1 1 318.398 3.309 20 5 DGBDMO C[C@H](c1ccc(F)cc1)[N@@H+](C)C[C@@H](O)c1ccc([N+](=O)[O-])cc1 ZINC000776274401 623405184 /nfs/dbraw/zinc/40/51/84/623405184.db2.gz HJCLVGVBSYAAOL-SJKOYZFVSA-N 1 1 318.348 3.460 20 5 DGBDMO O=[N+]([O-])c1ccc([C@@H](O)C[N@@H+](Cc2ccccc2)C2CC2)cc1 ZINC000776279892 623406694 /nfs/dbraw/zinc/40/66/94/623406694.db2.gz YOCIXKTWQPBVBC-SFHVURJKSA-N 1 1 312.369 3.293 20 5 DGBDMO O=[N+]([O-])c1ccc([C@@H](O)C[N@H+]2CCC[C@]3(CC=CCC3)C2)cc1 ZINC000776584667 623444196 /nfs/dbraw/zinc/44/41/96/623444196.db2.gz OFGXZJWLHWEJBL-ZWKOTPCHSA-N 1 1 316.401 3.451 20 5 DGBDMO CCSCC[C@H](C)[N@@H+](C)C[C@H](O)c1ccc([N+](=O)[O-])cc1 ZINC000776590069 623444364 /nfs/dbraw/zinc/44/43/64/623444364.db2.gz BAYKZRFVNGSTEF-WFASDCNBSA-N 1 1 312.435 3.092 20 5 DGBDMO C[C@@H]1C[N@@H+](C[C@H](O)c2ccc([N+](=O)[O-])cc2)[C@H]1c1ccccc1 ZINC000776591241 623444997 /nfs/dbraw/zinc/44/49/97/623444997.db2.gz HZCDDFHBMDEETR-JEBQAFNWSA-N 1 1 312.369 3.321 20 5 DGBDMO C[C@H]1C[N@H+](Cn2cc(-c3cccc([N+](=O)[O-])c3)cn2)CC[C@@H]1C ZINC000777958565 623590889 /nfs/dbraw/zinc/59/08/89/623590889.db2.gz RHWWVMHJMDIKPN-KBPBESRZSA-N 1 1 314.389 3.394 20 5 DGBDMO Cc1ccc([N+](=O)[O-])cc1[C@@H](C)OC(=O)C(C)(C)[NH+]1CCCC1 ZINC000805613708 623692476 /nfs/dbraw/zinc/69/24/76/623692476.db2.gz UOVRUKOUBHOZLW-CYBMUJFWSA-N 1 1 320.389 3.382 20 5 DGBDMO CCOC[C@H]1CCC[N@@H+](Cc2c(C)ccc([N+](=O)[O-])c2C)C1 ZINC000876738325 623693158 /nfs/dbraw/zinc/69/31/58/623693158.db2.gz AXYPTSCQLVNPAF-HNNXBMFYSA-N 1 1 306.406 3.460 20 5 DGBDMO Cc1[nH+]ccn1CCCCOC(=O)c1cc(C)ccc1[N+](=O)[O-] ZINC000778810869 623698664 /nfs/dbraw/zinc/69/86/64/623698664.db2.gz HIJXQCSXECQCFP-UHFFFAOYSA-N 1 1 317.345 3.045 20 5 DGBDMO CC[C@]1(CO)CCC[N@@H+](Cc2c(C)ccc([N+](=O)[O-])c2C)C1 ZINC000877438256 623882029 /nfs/dbraw/zinc/88/20/29/623882029.db2.gz MKZJCLOWSKESBU-KRWDZBQOSA-N 1 1 306.406 3.196 20 5 DGBDMO CC(C)[C@@H]1CCC[N@@H+](Cn2ncc3cc([N+](=O)[O-])ccc32)C1 ZINC000780497546 623939207 /nfs/dbraw/zinc/93/92/07/623939207.db2.gz LJJYASQVMJHNEF-CYBMUJFWSA-N 1 1 302.378 3.270 20 5 DGBDMO O=[N+]([O-])c1cc(C[N@H+]2CC[C@@H]3CSC[C@@H]3C2)ccc1Cl ZINC000877737350 624011236 /nfs/dbraw/zinc/01/12/36/624011236.db2.gz FWDCFZSBLWSFMO-NEPJUHHUSA-N 1 1 312.822 3.433 20 5 DGBDMO CC(C)(O)[C@H]1CCC[N@@H+](C/C=C\c2ccccc2[N+](=O)[O-])C1 ZINC000877796273 624037646 /nfs/dbraw/zinc/03/76/46/624037646.db2.gz BRVAQCTWFXKREX-KKTNHOPESA-N 1 1 304.390 3.091 20 5 DGBDMO C[C@@H]1CC[C@@]2(CC[N@@H+](Cn3ncc4cc([N+](=O)[O-])ccc43)C2)C1 ZINC000781585562 624097736 /nfs/dbraw/zinc/09/77/36/624097736.db2.gz NYZHZHZGGHFRDZ-CXAGYDPISA-N 1 1 314.389 3.414 20 5 DGBDMO C[C@@H]1CCC[C@H](C)[N@@H+]1Cc1nnc(-c2ccccc2[N+](=O)[O-])o1 ZINC000878088349 624162984 /nfs/dbraw/zinc/16/29/84/624162984.db2.gz MTQOBHDEGXEEPA-TXEJJXNPSA-N 1 1 316.361 3.408 20 5 DGBDMO CC(C)[N@@H+](Cc1nnc(-c2ccccc2[N+](=O)[O-])o1)C1CCC1 ZINC000878254895 624227929 /nfs/dbraw/zinc/22/79/29/624227929.db2.gz JBGCWIXBWMFMBI-UHFFFAOYSA-N 1 1 316.361 3.408 20 5 DGBDMO C[C@@H]1C[N@@H+](Cn2ncc3ccc([N+](=O)[O-])cc32)[C@@H]2CCCC[C@@H]21 ZINC000782278955 624231941 /nfs/dbraw/zinc/23/19/41/624231941.db2.gz ZVMASMKAWKWJTL-DAXOMENPSA-N 1 1 314.389 3.413 20 5 DGBDMO O=[N+]([O-])c1cccc2c1CC[N@H+](C[C@H]1CCC3(CCC3)O1)C2 ZINC000878302914 624240137 /nfs/dbraw/zinc/24/01/37/624240137.db2.gz ANWUFDPHSVSJDU-CQSZACIVSA-N 1 1 302.374 3.055 20 5 DGBDMO O=[N+]([O-])c1cccc2c1CC[N@@H+](C[C@H]1CCC3(CCC3)O1)C2 ZINC000878302914 624240139 /nfs/dbraw/zinc/24/01/39/624240139.db2.gz ANWUFDPHSVSJDU-CQSZACIVSA-N 1 1 302.374 3.055 20 5 DGBDMO CC[C@H]1[C@@H](C)CC[N@H+]1Cc1nnc(-c2ccccc2[N+](=O)[O-])o1 ZINC000878453330 624281644 /nfs/dbraw/zinc/28/16/44/624281644.db2.gz RTPKSECIVOQMCB-AAEUAGOBSA-N 1 1 316.361 3.265 20 5 DGBDMO Cc1nn(C[N@@H+]2C[C@@H](c3ccc(C)cc3)C[C@@H]2C)cc1[N+](=O)[O-] ZINC000782957621 624294764 /nfs/dbraw/zinc/29/47/64/624294764.db2.gz XTXCBCUAXWLJEN-BBRMVZONSA-N 1 1 314.389 3.244 20 5 DGBDMO Cc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@@H+]1CCC=C(Cl)C1 ZINC000878791672 624360911 /nfs/dbraw/zinc/36/09/11/624360911.db2.gz DLFYNZSRIARZMK-UHFFFAOYSA-N 1 1 323.780 3.060 20 5 DGBDMO Cc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@H+]1CCC=C(Cl)C1 ZINC000878791672 624360915 /nfs/dbraw/zinc/36/09/15/624360915.db2.gz DLFYNZSRIARZMK-UHFFFAOYSA-N 1 1 323.780 3.060 20 5 DGBDMO O=[N+]([O-])c1ccc(C[N@H+]2CC[C@@H]([C@H]3CCOC3)C2)cc1Cl ZINC000783572567 624368363 /nfs/dbraw/zinc/36/83/63/624368363.db2.gz KAZOKKYQQHIEMU-OLZOCXBDSA-N 1 1 310.781 3.107 20 5 DGBDMO C[C@@H](CNCc1ccc([N+](=O)[O-])c(Cl)c1)[NH+]1CCCCC1 ZINC000783599016 624373281 /nfs/dbraw/zinc/37/32/81/624373281.db2.gz RUKLZZYWUOAFBC-LBPRGKRZSA-N 1 1 311.813 3.212 20 5 DGBDMO O=[N+]([O-])c1ccc(C[NH2+][C@H]2CCCc3cn[nH]c32)cc1Cl ZINC000783647817 624379925 /nfs/dbraw/zinc/37/99/25/624379925.db2.gz YSNXMURQMAHMHJ-LBPRGKRZSA-N 1 1 306.753 3.139 20 5 DGBDMO O=[N+]([O-])c1ccc(C[NH2+][C@H]2CCCc3c[nH]nc32)cc1Cl ZINC000783647817 624379927 /nfs/dbraw/zinc/37/99/27/624379927.db2.gz YSNXMURQMAHMHJ-LBPRGKRZSA-N 1 1 306.753 3.139 20 5 DGBDMO C[C@H](O)C[C@@H]1CCCC[N@H+]1Cc1ccc([N+](=O)[O-])c(Cl)c1 ZINC000790934576 625717981 /nfs/dbraw/zinc/71/79/81/625717981.db2.gz NBFSWPLNJYQZBP-AAEUAGOBSA-N 1 1 312.797 3.374 20 5 DGBDMO Cc1nn(C[N@@H+](C)C[C@@H]2CC=CCC2)c2cc([N+](=O)[O-])ccc12 ZINC000784014682 624421446 /nfs/dbraw/zinc/42/14/46/624421446.db2.gz NJMYWWKPJAGQBR-CQSZACIVSA-N 1 1 314.389 3.499 20 5 DGBDMO Cc1ccc(C[N@H+]2CC[C@H](O)[C@H]3CCCC[C@H]32)cc1[N+](=O)[O-] ZINC000879417667 624539391 /nfs/dbraw/zinc/53/93/91/624539391.db2.gz FQNCFEMZUVICIL-UXLLHSPISA-N 1 1 304.390 3.029 20 5 DGBDMO O=[N+]([O-])c1cc(Cl)ccc1C[N@H+]1CC[C@@H]2CSC[C@@H]2C1 ZINC000879560652 624589709 /nfs/dbraw/zinc/58/97/09/624589709.db2.gz VJAPHKSXGUFCTD-NEPJUHHUSA-N 1 1 312.822 3.433 20 5 DGBDMO O=[N+]([O-])c1ccc(Cl)cc1C[NH2+][C@@H]1CCCn2nccc21 ZINC000879786886 624677212 /nfs/dbraw/zinc/67/72/12/624677212.db2.gz PTBBSACKMHRXDQ-GFCCVEGCSA-N 1 1 306.753 3.069 20 5 DGBDMO C[C@H](O)[C@H]1C[C@H](C)CC[N@H+]1Cc1ccc(Cl)c([N+](=O)[O-])c1 ZINC000785540509 624683202 /nfs/dbraw/zinc/68/32/02/624683202.db2.gz KSYFSXXRHOCKMB-UHIISALHSA-N 1 1 312.797 3.230 20 5 DGBDMO C[C@H](O)[C@H]1C[C@H](C)CC[N@H+]1Cc1cc([N+](=O)[O-])ccc1Cl ZINC000785541725 624684397 /nfs/dbraw/zinc/68/43/97/624684397.db2.gz VXNSKOFDVAMCBF-JRPNMDOOSA-N 1 1 312.797 3.230 20 5 DGBDMO C[C@H](OC(=O)C[NH+]1[C@@H](C)CC[C@@H]1C)c1cccc([N+](=O)[O-])c1 ZINC000785745395 624722448 /nfs/dbraw/zinc/72/24/48/624722448.db2.gz SXMXIIPBBFMMEB-AVGNSLFASA-N 1 1 306.362 3.072 20 5 DGBDMO CC(C)(O)[C@@H]1CCC[N@@H+](Cc2ccc(Cl)cc2[N+](=O)[O-])C1 ZINC000879962020 624737332 /nfs/dbraw/zinc/73/73/32/624737332.db2.gz LIWCTCPROKBIJL-GFCCVEGCSA-N 1 1 312.797 3.231 20 5 DGBDMO COC(=O)CC[C@H]1CCC[N@H+]([C@H](C)c2ccccc2[N+](=O)[O-])C1 ZINC000880038850 624762906 /nfs/dbraw/zinc/76/29/06/624762906.db2.gz BALWUWGXQCTUBC-ZIAGYGMSSA-N 1 1 320.389 3.321 20 5 DGBDMO O=[N+]([O-])c1ccc(-c2nc(C[N@H+]3CCC[C@@H](CF)C3)co2)cc1 ZINC000880237658 624861810 /nfs/dbraw/zinc/86/18/10/624861810.db2.gz ZIWHTYCAERVWMU-LBPRGKRZSA-N 1 1 319.336 3.431 20 5 DGBDMO O=[N+]([O-])c1ccc(C[NH+]2CCC3(CCCCO3)CC2)c(F)c1 ZINC000880457499 624960016 /nfs/dbraw/zinc/96/00/16/624960016.db2.gz QAHIUOSVYADWRY-UHFFFAOYSA-N 1 1 308.353 3.269 20 5 DGBDMO CC(=O)c1c(NCCCC[N@H+](C)C2CC2)cccc1[N+](=O)[O-] ZINC000882435843 625719586 /nfs/dbraw/zinc/71/95/86/625719586.db2.gz MMKWCJKNHNIXOQ-UHFFFAOYSA-N 1 1 305.378 3.084 20 5 DGBDMO CCCCCC[N@@H+](C)CC(=O)NCc1cccc([N+](=O)[O-])c1C ZINC000791017166 625738188 /nfs/dbraw/zinc/73/81/88/625738188.db2.gz FXQCLWGROFHCHD-UHFFFAOYSA-N 1 1 321.421 3.032 20 5 DGBDMO C[N@H+]1CC[C@H](NCc2cc([N+](=O)[O-])ccc2Cl)[C@H]2CCC[C@@H]21 ZINC000796840407 626088566 /nfs/dbraw/zinc/08/85/66/626088566.db2.gz WWENWQIQBNJRRV-KBMXLJTQSA-N 1 1 323.824 3.211 20 5 DGBDMO CC(C)[N@H+](C)CC1CCN(Cc2ccc([N+](=O)[O-])c(F)c2)CC1 ZINC000801515047 626406518 /nfs/dbraw/zinc/40/65/18/626406518.db2.gz ULODNPPATTXUGF-UHFFFAOYSA-N 1 1 323.412 3.286 20 5 DGBDMO CC(C)[N@@H+](C)CC1CCN(Cc2ccc([N+](=O)[O-])c(F)c2)CC1 ZINC000801515047 626406519 /nfs/dbraw/zinc/40/65/19/626406519.db2.gz ULODNPPATTXUGF-UHFFFAOYSA-N 1 1 323.412 3.286 20 5 DGBDMO CC[N@H+]1CC[C@@H](N(C)Cc2ccc([N+](=O)[O-])c(F)c2)C[C@@H]1C ZINC000801519394 626407301 /nfs/dbraw/zinc/40/73/01/626407301.db2.gz NDTYGDYVWNHLSV-GXTWGEPZSA-N 1 1 309.385 3.039 20 5 DGBDMO CC[N@H+]1CC[C@H](N(C)Cc2ccc([N+](=O)[O-])c(F)c2)C[C@@H]1C ZINC000801519395 626407371 /nfs/dbraw/zinc/40/73/71/626407371.db2.gz NDTYGDYVWNHLSV-JSGCOSHPSA-N 1 1 309.385 3.039 20 5 DGBDMO Cc1ccccc1[C@@H](O)C[N@@H+](C)CCc1cccc([N+](=O)[O-])c1 ZINC000801600981 626411628 /nfs/dbraw/zinc/41/16/28/626411628.db2.gz XLQICCAHNHJLST-SFHVURJKSA-N 1 1 314.385 3.111 20 5 DGBDMO Cc1ccc(OCC[N@H+](C)CCc2cccc([N+](=O)[O-])c2)cc1 ZINC000801601262 626412129 /nfs/dbraw/zinc/41/21/29/626412129.db2.gz DEUSOQYXHXNOJG-UHFFFAOYSA-N 1 1 314.385 3.457 20 5 DGBDMO CC(C)(C)SCC[N@H+]1CC[C@H](Nc2ccc([N+](=O)[O-])cn2)C1 ZINC000801933333 626426761 /nfs/dbraw/zinc/42/67/61/626426761.db2.gz OGGYWUXRRMRJQU-LBPRGKRZSA-N 1 1 324.450 3.008 20 5 DGBDMO CC(=O)c1ccc([N+](=O)[O-])cc1NC[C@H](C)[N@H+]1CCC[C@@H](C)C1 ZINC000807925230 626777836 /nfs/dbraw/zinc/77/78/36/626777836.db2.gz BREYCPWIGZAENZ-OLZOCXBDSA-N 1 1 319.405 3.330 20 5 DGBDMO CCCC[N@@H+](C)C[C@H](C)Nc1cc([N+](=O)[O-])ccc1C(C)=O ZINC000808176244 626802741 /nfs/dbraw/zinc/80/27/41/626802741.db2.gz DSERMNILUQVKSQ-LBPRGKRZSA-N 1 1 307.394 3.330 20 5 DGBDMO O=[N+]([O-])c1cnn(C[N@H+]2C[C@@H](c3ccccc3)C3(CCC3)C2)c1 ZINC000840177358 626913663 /nfs/dbraw/zinc/91/36/63/626913663.db2.gz IQBJZTHBPGBKLK-INIZCTEOSA-N 1 1 312.373 3.019 20 5 DGBDMO C[N@@H+](Cc1cc(Cl)cc(Cl)c1[N+](=O)[O-])C[C@@H](O)C1CC1 ZINC000809953918 626962431 /nfs/dbraw/zinc/96/24/31/626962431.db2.gz SPWXNMRYYJEAMX-GFCCVEGCSA-N 1 1 319.188 3.104 20 5 DGBDMO C[N@H+](Cc1cc(Cl)cc(Cl)c1[N+](=O)[O-])C[C@@H](O)C1CC1 ZINC000809953918 626962434 /nfs/dbraw/zinc/96/24/34/626962434.db2.gz SPWXNMRYYJEAMX-GFCCVEGCSA-N 1 1 319.188 3.104 20 5 DGBDMO Cc1ccc(OC(=O)[C@]2(F)CC[N@H+](C(C)(C)C)C2)cc1[N+](=O)[O-] ZINC000810641730 627030489 /nfs/dbraw/zinc/03/04/89/627030489.db2.gz HKDYZJLQHIAIKX-INIZCTEOSA-N 1 1 324.352 3.021 20 5 DGBDMO COc1ccc([C@@H]2CCC[N@@H+]2Cc2cccnc2[N+](=O)[O-])cc1 ZINC000885944181 627066133 /nfs/dbraw/zinc/06/61/33/627066133.db2.gz KUIYNIIVUIWNDB-INIZCTEOSA-N 1 1 313.357 3.336 20 5 DGBDMO COc1ccc([C@@H]2CCC[N@H+]2Cc2cccnc2[N+](=O)[O-])cc1 ZINC000885944181 627066136 /nfs/dbraw/zinc/06/61/36/627066136.db2.gz KUIYNIIVUIWNDB-INIZCTEOSA-N 1 1 313.357 3.336 20 5 DGBDMO O=[N+]([O-])c1ncccc1C[N@H+]1CCC[C@H]1Cc1ccc(F)cc1 ZINC000885963382 627071484 /nfs/dbraw/zinc/07/14/84/627071484.db2.gz MNROMQMXZMJKLE-INIZCTEOSA-N 1 1 315.348 3.336 20 5 DGBDMO CCC[N@H+](Cc1ccc(OC)cc1)Cc1cccnc1[N+](=O)[O-] ZINC000885968851 627072780 /nfs/dbraw/zinc/07/27/80/627072780.db2.gz BMMUVCCKIKTCTA-UHFFFAOYSA-N 1 1 315.373 3.411 20 5 DGBDMO CCC[N@@H+](Cc1ccc(OC)cc1)Cc1cccnc1[N+](=O)[O-] ZINC000885968851 627072782 /nfs/dbraw/zinc/07/27/82/627072782.db2.gz BMMUVCCKIKTCTA-UHFFFAOYSA-N 1 1 315.373 3.411 20 5 DGBDMO CCC[N@@H+](Cc1cccnc1[N+](=O)[O-])[C@@H]1[C@H]2CCO[C@@H]2C1(C)C ZINC000886018558 627085383 /nfs/dbraw/zinc/08/53/83/627085383.db2.gz CFBQWSOSZSUNPD-KFWWJZLASA-N 1 1 319.405 3.015 20 5 DGBDMO CCC1(CC)[C@@H](OC)C[C@@H]1[N@@H+](C)Cc1cccnc1[N+](=O)[O-] ZINC000886075156 627099330 /nfs/dbraw/zinc/09/93/30/627099330.db2.gz CXOHFAAZHPXAQU-KBPBESRZSA-N 1 1 307.394 3.015 20 5 DGBDMO COc1ccc(C)cc1[C@H](C)[NH2+]Cc1cccnc1[N+](=O)[O-] ZINC000886104467 627105910 /nfs/dbraw/zinc/10/59/10/627105910.db2.gz CKQRFXHAMFWHRR-LBPRGKRZSA-N 1 1 301.346 3.158 20 5 DGBDMO C[N@H+](CCCOCc1ccccc1)Cc1cccnc1[N+](=O)[O-] ZINC000886188101 627118916 /nfs/dbraw/zinc/11/89/16/627118916.db2.gz KIOXOKDYASSEDG-UHFFFAOYSA-N 1 1 315.373 3.029 20 5 DGBDMO C[N@@H+](CCCOCc1ccccc1)Cc1cccnc1[N+](=O)[O-] ZINC000886188101 627118917 /nfs/dbraw/zinc/11/89/17/627118917.db2.gz KIOXOKDYASSEDG-UHFFFAOYSA-N 1 1 315.373 3.029 20 5 DGBDMO O=[N+]([O-])c1ncccc1C[N@@H+]1CCC[C@@H](CC(F)(F)F)C1 ZINC000886249359 627126497 /nfs/dbraw/zinc/12/64/97/627126497.db2.gz ISMJOONUFOTUEN-JTQLQIEISA-N 1 1 303.284 3.154 20 5 DGBDMO O=[N+]([O-])c1ncccc1C[N@H+]1CCC[C@@H](CC(F)(F)F)C1 ZINC000886249359 627126498 /nfs/dbraw/zinc/12/64/98/627126498.db2.gz ISMJOONUFOTUEN-JTQLQIEISA-N 1 1 303.284 3.154 20 5 DGBDMO O=[N+]([O-])c1ncccc1C[NH2+]C1(c2cccc(F)c2)CCC1 ZINC000886263836 627127940 /nfs/dbraw/zinc/12/79/40/627127940.db2.gz IGUKFTTWSBPKAY-UHFFFAOYSA-N 1 1 301.321 3.298 20 5 DGBDMO Cc1noc(C[N@@H+]2CC[C@H](C)[C@@H]2c2ccccc2)c1[N+](=O)[O-] ZINC000886540232 627159502 /nfs/dbraw/zinc/15/95/02/627159502.db2.gz BCFXVVMXQCNOQV-XHDPSFHLSA-N 1 1 301.346 3.474 20 5 DGBDMO Cc1[nH+]ccn1-c1ncccc1CNc1ccsc1[N+](=O)[O-] ZINC000811825559 627326391 /nfs/dbraw/zinc/32/63/91/627326391.db2.gz KTPDNKFVLMIWNQ-UHFFFAOYSA-N 1 1 315.358 3.158 20 5 DGBDMO CCC(C)(C)C(=O)O[C@H]1CC[N@H+](Cc2cccc([N+](=O)[O-])c2)C1 ZINC000813173133 627461621 /nfs/dbraw/zinc/46/16/21/627461621.db2.gz XAVRVIKSXQPOKU-HNNXBMFYSA-N 1 1 320.389 3.149 20 5 DGBDMO CCC(C)(C)C(=O)O[C@H]1CC[N@@H+](Cc2cccc([N+](=O)[O-])c2)C1 ZINC000813173133 627461623 /nfs/dbraw/zinc/46/16/23/627461623.db2.gz XAVRVIKSXQPOKU-HNNXBMFYSA-N 1 1 320.389 3.149 20 5 DGBDMO CC(C)(C)CC(=O)O[C@H]1CC[N@H+](Cc2cccc([N+](=O)[O-])c2)C1 ZINC000813173578 627461764 /nfs/dbraw/zinc/46/17/64/627461764.db2.gz DUYCIDLCQJUCRH-HNNXBMFYSA-N 1 1 320.389 3.149 20 5 DGBDMO CC(C)(C)CC(=O)O[C@H]1CC[N@@H+](Cc2cccc([N+](=O)[O-])c2)C1 ZINC000813173578 627461765 /nfs/dbraw/zinc/46/17/65/627461765.db2.gz DUYCIDLCQJUCRH-HNNXBMFYSA-N 1 1 320.389 3.149 20 5 DGBDMO Cc1cc([N+](=O)[O-])ccc1N1CC[N@H+](C2CCC2)C[C@H](C)C1 ZINC000813630193 627504369 /nfs/dbraw/zinc/50/43/69/627504369.db2.gz IWBPYOPZCFYCRH-ZDUSSCGKSA-N 1 1 303.406 3.214 20 5 DGBDMO COc1ccc(C[NH2+][C@@H](C)c2cc(O)cc(F)c2)cc1[N+](=O)[O-] ZINC000924842659 627686051 /nfs/dbraw/zinc/68/60/51/627686051.db2.gz UFERVLUZASIQIL-JTQLQIEISA-N 1 1 320.320 3.299 20 5 DGBDMO O=[N+]([O-])c1ccc2c(c1)[C@H](NC[C@]13CCC[C@H]1[NH2+]CC3)CCC2 ZINC000925840054 627804505 /nfs/dbraw/zinc/80/45/05/627804505.db2.gz KBWOBBBLYPOUAP-KZNAEPCWSA-N 1 1 315.417 3.094 20 5 DGBDMO O=[N+]([O-])c1ccc2c(c1)[C@@H](NC[C@]13CCC[C@H]1[NH2+]CC3)CCC2 ZINC000925840055 627804511 /nfs/dbraw/zinc/80/45/11/627804511.db2.gz KBWOBBBLYPOUAP-RCCFBDPRSA-N 1 1 315.417 3.094 20 5 DGBDMO C[N@H+]1CCC[C@@H](CCNc2nc3ccc([N+](=O)[O-])cc3s2)C1 ZINC000840342393 627911236 /nfs/dbraw/zinc/91/12/36/627911236.db2.gz YOIRAXFHKCCDCD-NSHDSACASA-N 1 1 320.418 3.348 20 5 DGBDMO C[C@@H](N[C@H]1CCC[N@@H+]2CCCC[C@@H]12)c1ccccc1[N+](=O)[O-] ZINC000926835714 627962073 /nfs/dbraw/zinc/96/20/73/627962073.db2.gz KHYIOSPHMZUKJH-KMFMINBZSA-N 1 1 303.406 3.262 20 5 DGBDMO C[C@@H](N[C@H]1CCC[N@H+]2CCCC[C@@H]12)c1ccccc1[N+](=O)[O-] ZINC000926835714 627962075 /nfs/dbraw/zinc/96/20/75/627962075.db2.gz KHYIOSPHMZUKJH-KMFMINBZSA-N 1 1 303.406 3.262 20 5 DGBDMO CCc1onc(C)c1C[NH2+][C@@H]1CCc2c1cccc2[N+](=O)[O-] ZINC000927134882 628023357 /nfs/dbraw/zinc/02/33/57/628023357.db2.gz NPJULGZSWRBPML-CQSZACIVSA-N 1 1 301.346 3.231 20 5 DGBDMO C[N@@H+](Cc1ccccc1[N+](=O)[O-])C[C@H]1CC[C@H](C(F)(F)F)O1 ZINC000929165999 628218505 /nfs/dbraw/zinc/21/85/05/628218505.db2.gz YWRHAHUZMPPIGR-DGCLKSJQSA-N 1 1 318.295 3.137 20 5 DGBDMO C[N@H+](Cc1ccccc1[N+](=O)[O-])C[C@H]1CC[C@H](C(F)(F)F)O1 ZINC000929165999 628218507 /nfs/dbraw/zinc/21/85/07/628218507.db2.gz YWRHAHUZMPPIGR-DGCLKSJQSA-N 1 1 318.295 3.137 20 5 DGBDMO CC[N@@H+](C)C[C@@H]1CCN(c2cc(Cl)c(F)cc2[N+](=O)[O-])C1 ZINC000820670301 628284561 /nfs/dbraw/zinc/28/45/61/628284561.db2.gz MHZHASOONHCFNP-JTQLQIEISA-N 1 1 315.776 3.165 20 5 DGBDMO Cc1ccc([C@H](C)[NH2+]Cc2cc(F)ncc2F)cc1[N+](=O)[O-] ZINC000823960689 628614145 /nfs/dbraw/zinc/61/41/45/628614145.db2.gz COGJMZUERIASKD-JTQLQIEISA-N 1 1 307.300 3.427 20 5 DGBDMO CC1(C)CCC[N@H+]1CCNCc1cc([N+](=O)[O-])ccc1Cl ZINC000825325387 628749832 /nfs/dbraw/zinc/74/98/32/628749832.db2.gz BVMUATLGLXAWJJ-UHFFFAOYSA-N 1 1 311.813 3.212 20 5 DGBDMO O=[N+]([O-])c1ccc(F)cc1C[N@H+]1CCC[C@@]2(CCSC2)C1 ZINC000832505644 629491356 /nfs/dbraw/zinc/49/13/56/629491356.db2.gz MQCAKUONLJSNSI-OAHLLOKOSA-N 1 1 310.394 3.453 20 5 DGBDMO O=[N+]([O-])c1ccc(C[N@H+]2CCC[C@@]3(CCSC3)C2)cc1F ZINC000832510925 629491739 /nfs/dbraw/zinc/49/17/39/629491739.db2.gz IUABOVATESUXLA-OAHLLOKOSA-N 1 1 310.394 3.453 20 5 DGBDMO CC(C)[C@@H]1C[N@@H+](C[C@H](O)c2ccc([N+](=O)[O-])cc2)[C@@H]1C(C)C ZINC000834387278 629703082 /nfs/dbraw/zinc/70/30/82/629703082.db2.gz FEBWZOCZSIQSKE-YESZJQIVSA-N 1 1 306.406 3.241 20 5 DGBDMO CC(C)[C@@H]1C[N@@H+](C[C@@H](O)c2ccc([N+](=O)[O-])cc2)[C@@H]1C(C)C ZINC000834387276 629703143 /nfs/dbraw/zinc/70/31/43/629703143.db2.gz FEBWZOCZSIQSKE-GVDBMIGSSA-N 1 1 306.406 3.241 20 5 DGBDMO O=[N+]([O-])c1ccc2c(c1)[C@H]([NH2+][C@H]1CCn3ccnc31)CCCC2 ZINC000841753253 630462534 /nfs/dbraw/zinc/46/25/34/630462534.db2.gz FTBXSOXQYYWPCF-CVEARBPZSA-N 1 1 312.373 3.293 20 5 DGBDMO C[C@@H]1C[N@@H+](CCC(=O)Nc2cc([N+](=O)[O-])ccc2F)[C@@H](C)[C@H]1C ZINC000842165174 630501204 /nfs/dbraw/zinc/50/12/04/630501204.db2.gz AJYXRTQSSLGRTI-WOPDTQHZSA-N 1 1 323.368 3.039 20 5 DGBDMO CN(CC[C@H]1CCC[NH2+]C1)Cc1cc([N+](=O)[O-])ccc1Cl ZINC000842471778 630538745 /nfs/dbraw/zinc/53/87/45/630538745.db2.gz ZGUSGDGOXFURBA-GFCCVEGCSA-N 1 1 311.813 3.070 20 5 DGBDMO Cc1ccc(C(=O)OC[C@H]2CCC[N@H+](C(C)C)C2)cc1[N+](=O)[O-] ZINC000842835714 630582956 /nfs/dbraw/zinc/58/29/56/630582956.db2.gz YUJZHIGJONWJSY-AWEZNQCLSA-N 1 1 320.389 3.180 20 5 DGBDMO CC(C)[C@@H]1[N@@H+](C[C@H](O)c2ccc([N+](=O)[O-])cc2)CC12CC=CC2 ZINC000843297879 630643609 /nfs/dbraw/zinc/64/36/09/630643609.db2.gz WERIOEWXELYNNF-IRXDYDNUSA-N 1 1 316.401 3.305 20 5 DGBDMO CCCN(Cc1cc([N+](=O)[O-])ccc1Cl)[C@H]1CC[N@@H+](C)C1 ZINC000843421690 630655769 /nfs/dbraw/zinc/65/57/69/630655769.db2.gz FOIQQBHCNDHOPV-AWEZNQCLSA-N 1 1 311.813 3.164 20 5 DGBDMO O=[N+]([O-])c1ccc2c(cnn2C[N@@H+]2CCC[C@]3(CC3(F)F)C2)c1 ZINC000844746662 630826926 /nfs/dbraw/zinc/82/69/26/630826926.db2.gz NUBUKJGBVOMZOH-AWEZNQCLSA-N 1 1 322.315 3.023 20 5 DGBDMO O=[N+]([O-])c1ccc2c(cnn2C[N@H+]2CCC[C@]3(CC3(F)F)C2)c1 ZINC000844746662 630826929 /nfs/dbraw/zinc/82/69/29/630826929.db2.gz NUBUKJGBVOMZOH-AWEZNQCLSA-N 1 1 322.315 3.023 20 5 DGBDMO CCOC(C[N@@H+](CC)[C@@H](C)c1cccc([N+](=O)[O-])c1)OCC ZINC000846966743 631368285 /nfs/dbraw/zinc/36/82/85/631368285.db2.gz AQDYNJHBPQGCGW-ZDUSSCGKSA-N 1 1 310.394 3.377 20 5 DGBDMO CC[C@H]1CC[N@@H+](Cn2cc(-c3ccccc3[N+](=O)[O-])cn2)C1 ZINC000848483037 631669057 /nfs/dbraw/zinc/66/90/57/631669057.db2.gz XMWZVKMVTCARJF-ZDUSSCGKSA-N 1 1 300.362 3.148 20 5 DGBDMO Cc1ncncc1[C@@H](C)[NH2+]Cc1cc([N+](=O)[O-])ccc1Cl ZINC000848534978 631681815 /nfs/dbraw/zinc/68/18/15/631681815.db2.gz CBVCQNYPIXZMIP-SECBINFHSA-N 1 1 306.753 3.197 20 5 DGBDMO O=[N+]([O-])c1ccc([C@@H](O)C[N@H+]2CC[C@H]2c2ccc(F)cc2)cc1 ZINC000849328100 631892791 /nfs/dbraw/zinc/89/27/91/631892791.db2.gz ZRFHJOCVCVDRAN-IRXDYDNUSA-N 1 1 316.332 3.214 20 5 DGBDMO O=[N+]([O-])c1cccc([C@H](O)C[N@@H+]2CC[C@@H]2c2ccc(F)cc2)c1 ZINC000849326334 631892807 /nfs/dbraw/zinc/89/28/07/631892807.db2.gz HEHGDQPBXRRAFS-IAGOWNOFSA-N 1 1 316.332 3.214 20 5 DGBDMO O=[N+]([O-])c1cccc([C@H](O)C[N@H+]2CC[C@@H]2c2ccc(F)cc2)c1 ZINC000849326334 631892811 /nfs/dbraw/zinc/89/28/11/631892811.db2.gz HEHGDQPBXRRAFS-IAGOWNOFSA-N 1 1 316.332 3.214 20 5 DGBDMO O=[N+]([O-])c1ccc(Cl)c(C[NH2+][C@@H]2CCCn3nccc32)c1 ZINC000850444179 632154313 /nfs/dbraw/zinc/15/43/13/632154313.db2.gz HLXBIBGSIITHJB-CYBMUJFWSA-N 1 1 306.753 3.069 20 5 DGBDMO CO[C@@H](C[N@H+]1CCc2c(cccc2[N+](=O)[O-])C1)C1CCCC1 ZINC000851869562 632512441 /nfs/dbraw/zinc/51/24/41/632512441.db2.gz KOVPPDSTJNALKH-KRWDZBQOSA-N 1 1 304.390 3.158 20 5 DGBDMO C[N@H+]1CC[C@]2(C1)CCCN(Cc1cc([N+](=O)[O-])ccc1Cl)C2 ZINC000852109033 632556359 /nfs/dbraw/zinc/55/63/59/632556359.db2.gz STVQJFDADXJHDZ-INIZCTEOSA-N 1 1 323.824 3.166 20 5 DGBDMO Cc1cccc([N+](=O)[O-])c1N1CCC[C@H](c2[nH+]ccn2C)C1 ZINC000357681711 660476086 /nfs/dbraw/zinc/47/60/86/660476086.db2.gz BBVQEZQKYAZIFX-ZDUSSCGKSA-N 1 1 300.362 3.021 20 5 DGBDMO CCC(O)(CC)C[N@@H+](C)Cc1ccc(Cl)c([N+](=O)[O-])c1 ZINC000706403369 660856859 /nfs/dbraw/zinc/85/68/59/660856859.db2.gz IDHXYGXMAXHWGA-UHFFFAOYSA-N 1 1 300.786 3.231 20 5 DGBDMO O=[N+]([O-])c1cc(C[N@@H+]2CCCCC[C@H]2CCO)ccc1Cl ZINC000792927628 660994733 /nfs/dbraw/zinc/99/47/33/660994733.db2.gz PYSMCYDCXAACIX-ZDUSSCGKSA-N 1 1 312.797 3.375 20 5 DGBDMO Cc1cccc(C[N@@H+](C)C[C@H](O)c2ccc([N+](=O)[O-])cc2)c1C ZINC000794640215 661095592 /nfs/dbraw/zinc/09/55/92/661095592.db2.gz FSFPWDTXMAIWND-SFHVURJKSA-N 1 1 314.385 3.377 20 5 DGBDMO Cc1cccc(C[N@@H+](C)C[C@@H](O)c2ccc([N+](=O)[O-])cc2)c1C ZINC000794640214 661095794 /nfs/dbraw/zinc/09/57/94/661095794.db2.gz FSFPWDTXMAIWND-GOSISDBHSA-N 1 1 314.385 3.377 20 5 DGBDMO C[C@]1(c2ccccc2)CCC[N@@H+](Cn2nccc2[N+](=O)[O-])CC1 ZINC000795671177 661166598 /nfs/dbraw/zinc/16/65/98/661166598.db2.gz KIUZDTJXJAOKEL-KRWDZBQOSA-N 1 1 314.389 3.193 20 5 DGBDMO C[N@H+](Cc1ccccc1[N+](=O)[O-])C[C@@H](O)c1ccc(F)c(F)c1 ZINC000051323003 656141008 /nfs/dbraw/zinc/14/10/08/656141008.db2.gz DJSIWHXSDRQEQQ-MRXNPFEDSA-N 1 1 322.311 3.038 20 5 DGBDMO C[C@@H]1Cc2ccccc2C[N@H+]1C[C@H](O)c1cccc([N+](=O)[O-])c1 ZINC000178864211 657092786 /nfs/dbraw/zinc/09/27/86/657092786.db2.gz ZEYUEXYHZJSUCS-ACJLOTCBSA-N 1 1 312.369 3.075 20 5 DGBDMO Cc1cc(Cl)c([N+](=O)[O-])cc1OC(=O)[C@H](C(C)C)[NH+](C)C ZINC000798831081 658082759 /nfs/dbraw/zinc/08/27/59/658082759.db2.gz AALDRBJGCWOCGI-ZDUSSCGKSA-N 1 1 314.769 3.048 20 5 DGBDMO C[C@H]1C[N@@H+](Cc2ccc(-c3ccc([N+](=O)[O-])cc3)s2)C[C@@H]1O ZINC000897683619 658483341 /nfs/dbraw/zinc/48/33/41/658483341.db2.gz FQDSMPXFPXCDET-NHYWBVRUSA-N 1 1 318.398 3.136 20 5 DGBDMO O=[N+]([O-])c1ccc2cnn(C[N@H+]3CCC4(CCCC4)C3)c2c1 ZINC000173441327 659387216 /nfs/dbraw/zinc/38/72/16/659387216.db2.gz OMBNYRBYZDCFHG-UHFFFAOYSA-N 1 1 300.362 3.168 20 5 DGBDMO C[C@@H](c1ccccc1[N+](=O)[O-])[N@H+]1CCC[C@H](c2nccn2C)C1 ZINC000444797138 659887691 /nfs/dbraw/zinc/88/76/91/659887691.db2.gz CMBNYWOHBYEQGY-KBPBESRZSA-N 1 1 314.389 3.269 20 5 DGBDMO CC[C@H](C)C[N@@H+](CC)Cn1cc([N+](=O)[O-])c(-c2ccncc2)n1 ZINC000174942699 659913983 /nfs/dbraw/zinc/91/39/83/659913983.db2.gz SZFBNBXIIZHYHU-ZDUSSCGKSA-N 1 1 317.393 3.179 20 5 DGBDMO O=[N+]([O-])c1cccc(C[NH2+]Cc2ccc(Br)cn2)c1 ZINC000070396614 660054515 /nfs/dbraw/zinc/05/45/15/660054515.db2.gz RMLHGSOUJZSFBY-UHFFFAOYSA-N 1 1 322.162 3.042 20 5 DGBDMO CC(C)[N@@H+](Cc1cnn(CCF)c1)Cc1ccc([N+](=O)[O-])cc1 ZINC000929337171 661298397 /nfs/dbraw/zinc/29/83/97/661298397.db2.gz BYQXYWYFSFGECT-UHFFFAOYSA-N 1 1 320.368 3.171 20 5 DGBDMO Cc1[nH+]cn(Cc2c(Br)cccc2[N+](=O)[O-])c1C ZINC000929635522 661323006 /nfs/dbraw/zinc/32/30/06/661323006.db2.gz NMSNRWSVQXBNFQ-UHFFFAOYSA-N 1 1 310.151 3.219 20 5 DGBDMO C[N@@H+](CCc1cccc([N+](=O)[O-])c1)C[C@H]1C[C@@H]2[C@H](C1)C2(F)F ZINC000930355475 661391578 /nfs/dbraw/zinc/39/15/78/661391578.db2.gz YNVQATSAJZTVFB-YOWGUQMCSA-N 1 1 310.344 3.360 20 5 DGBDMO Cc1nn(C)c(Cl)c1C[NH2+][C@H](C)c1ccc([N+](=O)[O-])cc1 ZINC000932179639 661544834 /nfs/dbraw/zinc/54/48/34/661544834.db2.gz KGFNMYSKQKJRGT-SECBINFHSA-N 1 1 308.769 3.141 20 5 DGBDMO O=[N+]([O-])c1ccccc1C[N@H+]1CCC[C@H](C2CCOCC2)C1 ZINC000933083452 661617027 /nfs/dbraw/zinc/61/70/27/661617027.db2.gz UTZDATMXLXOOQT-HNNXBMFYSA-N 1 1 304.390 3.233 20 5 DGBDMO O=[N+]([O-])c1cccc(F)c1C[NH2+][C@H](c1ccncc1)C1CC1 ZINC000934693994 661727001 /nfs/dbraw/zinc/72/70/01/661727001.db2.gz WTJUNPWKCBDRPS-INIZCTEOSA-N 1 1 301.321 3.370 20 5 DGBDMO O=[N+]([O-])c1ccc(F)cc1C[N@H+]1CCCC[C@@H]([C@H]2CCOC2)C1 ZINC000934840906 661740621 /nfs/dbraw/zinc/74/06/21/661740621.db2.gz GKCDHDNRCXKIHR-KGLIPLIRSA-N 1 1 322.380 3.373 20 5 DGBDMO Cc1noc(C)c1C[N@H+](C)C/C=C/c1ccccc1[N+](=O)[O-] ZINC000091812509 662319282 /nfs/dbraw/zinc/31/92/82/662319282.db2.gz BIVIGWGORUDUJC-SOFGYWHQSA-N 1 1 301.346 3.345 20 5 DGBDMO Cc1noc(C)c1C[N@@H+](C)C/C=C/c1ccccc1[N+](=O)[O-] ZINC000091812509 662319284 /nfs/dbraw/zinc/31/92/84/662319284.db2.gz BIVIGWGORUDUJC-SOFGYWHQSA-N 1 1 301.346 3.345 20 5 DGBDMO C[C@@H]1C[NH+](Cc2ccc(Br)c([N+](=O)[O-])c2)C[C@H]1C ZINC000159433740 685099104 /nfs/dbraw/zinc/09/91/04/685099104.db2.gz RMFQVVRAOMZSHA-NXEZZACHSA-N 1 1 313.195 3.445 20 5 DGBDMO O=[N+]([O-])c1cccc(Br)c1C[NH2+]C/C=C/C1CC1 ZINC001620946815 1192642648 /nfs/dbraw/zinc/64/26/48/1192642648.db2.gz AECBGWXCHVBQHM-NSCUHMNNSA-N 1 1 311.179 3.413 20 5 DGBDMO Cc1ccc([N+](=O)[O-])c(C)c1CNCCC[N@H+](C)CC(C)C ZINC001620994756 1192778340 /nfs/dbraw/zinc/77/83/40/1192778340.db2.gz QHTQOGAITYHLTP-UHFFFAOYSA-N 1 1 307.438 3.279 20 5 DGBDMO CS[C@H]1CC[C@H]([N@@H+](C)Cc2nc3cc([N+](=O)[O-])ccc3o2)C1 ZINC001332958143 1178528620 /nfs/dbraw/zinc/52/86/20/1178528620.db2.gz HFZPLPYTBDYHGQ-JQWIXIFHSA-N 1 1 321.402 3.452 20 5 DGBDMO Cc1ccc([N+](=O)[O-])c(C)c1C[N@@H+]1CC[C@@](CO)(C(C)C)C1 ZINC001333000196 1178537515 /nfs/dbraw/zinc/53/75/15/1178537515.db2.gz MMKOULOOGJGENM-QGZVFWFLSA-N 1 1 306.406 3.052 20 5 DGBDMO CN(CC[N@@H+](C)C1CC1)c1cccc(C(F)(F)F)c1[N+](=O)[O-] ZINC001458325376 1182514790 /nfs/dbraw/zinc/51/47/90/1182514790.db2.gz LTGSNFPYNPGKKF-UHFFFAOYSA-N 1 1 317.311 3.144 20 5 DGBDMO CCOc1cc(NCC[N@H+]2CCCC2(C)C)ccc1[N+](=O)[O-] ZINC001458435959 1182524021 /nfs/dbraw/zinc/52/40/21/1182524021.db2.gz SOQPATNTYCRSJC-UHFFFAOYSA-N 1 1 307.394 3.280 20 5 DGBDMO CC1(C)CC[C@H](C[N@@H+]2CCc3ccc([N+](=O)[O-])cc3C2)OC1 ZINC001459648191 1182601150 /nfs/dbraw/zinc/60/11/50/1182601150.db2.gz DGEKOKGPGRUUFC-MRXNPFEDSA-N 1 1 304.390 3.158 20 5 DGBDMO CC1(C)CC[C@H](C[N@H+]2CCc3ccc([N+](=O)[O-])cc3C2)OC1 ZINC001459648191 1182601153 /nfs/dbraw/zinc/60/11/53/1182601153.db2.gz DGEKOKGPGRUUFC-MRXNPFEDSA-N 1 1 304.390 3.158 20 5 DGBDMO C[C@@H]1CCC[C@@H](C[N@H+]2CC[C@@H](Nc3ccc([N+](=O)[O-])cn3)C2)C1 ZINC001459702365 1182606902 /nfs/dbraw/zinc/60/69/02/1182606902.db2.gz VUSCIECIHIHNAP-RBSFLKMASA-N 1 1 318.421 3.302 20 5 DGBDMO COC[C@H]1CCCC[N@@H+]1Cc1cc([N+](=O)[O-])ccc1OC(C)C ZINC001460231545 1182665194 /nfs/dbraw/zinc/66/51/94/1182665194.db2.gz CHTKGEQMIJROMM-MRXNPFEDSA-N 1 1 322.405 3.383 20 5 DGBDMO COC[C@H]1CCCC[N@H+]1Cc1cc([N+](=O)[O-])ccc1OC(C)C ZINC001460231545 1182665198 /nfs/dbraw/zinc/66/51/98/1182665198.db2.gz CHTKGEQMIJROMM-MRXNPFEDSA-N 1 1 322.405 3.383 20 5 DGBDMO CC(C)(C)OC[C@H]1CCC[N@H+]1CCOc1ccc([N+](=O)[O-])cc1 ZINC001460751669 1182716466 /nfs/dbraw/zinc/71/64/66/1182716466.db2.gz YUEHKSBSSHUPMR-OAHLLOKOSA-N 1 1 322.405 3.253 20 5 DGBDMO COc1ccc([N+](=O)[O-])cc1C[NH2+][C@H](C)c1ncccc1C ZINC001460929729 1182740767 /nfs/dbraw/zinc/74/07/67/1182740767.db2.gz CRJFKQJIEXTBDM-GFCCVEGCSA-N 1 1 301.346 3.158 20 5 DGBDMO O=[N+]([O-])c1cc(Cl)ccc1C[N@@H+]1CCCC[C@@]12CCOC2 ZINC001460962932 1182747794 /nfs/dbraw/zinc/74/77/94/1182747794.db2.gz ZKCUHFNCJJFGKZ-HNNXBMFYSA-N 1 1 310.781 3.393 20 5 DGBDMO O=[N+]([O-])c1cc(Cl)ccc1C[N@H+]1CCCC[C@@]12CCOC2 ZINC001460962932 1182747798 /nfs/dbraw/zinc/74/77/98/1182747798.db2.gz ZKCUHFNCJJFGKZ-HNNXBMFYSA-N 1 1 310.781 3.393 20 5 DGBDMO O=[N+]([O-])c1ccc(C[N@@H+]2CCCC[C@@]23CCCOC3)c(F)c1 ZINC001460968717 1182747951 /nfs/dbraw/zinc/74/79/51/1182747951.db2.gz BETYKKTVJZDPMZ-INIZCTEOSA-N 1 1 308.353 3.269 20 5 DGBDMO O=[N+]([O-])c1ccc(C[N@H+]2CCCC[C@@]23CCCOC3)c(F)c1 ZINC001460968717 1182747956 /nfs/dbraw/zinc/74/79/56/1182747956.db2.gz BETYKKTVJZDPMZ-INIZCTEOSA-N 1 1 308.353 3.269 20 5 DGBDMO Cc1ccc([N+](=O)[O-])c(C)c1CNC[C@H](C)[NH+]1CCCCC1 ZINC001461086517 1182764678 /nfs/dbraw/zinc/76/46/78/1182764678.db2.gz FSJNDCRAMXWYDS-AWEZNQCLSA-N 1 1 305.422 3.176 20 5 DGBDMO COc1c(O)ccc(C[N@@H+](C)[C@H]2CCC(C)(C)C2)c1[N+](=O)[O-] ZINC001462181266 1182918668 /nfs/dbraw/zinc/91/86/68/1182918668.db2.gz UHSPGXDMPSDWRT-LBPRGKRZSA-N 1 1 308.378 3.320 20 5 DGBDMO Cc1ccc([N+](=O)[O-])c(C)c1C[N@@H+]1C[C@@]2(CCCO2)[C@@H]1C1CC1 ZINC001462283062 1182933582 /nfs/dbraw/zinc/93/35/82/1182933582.db2.gz YGNWBMKBTXXXGB-ROUUACIJSA-N 1 1 316.401 3.355 20 5 DGBDMO Cc1ccc([N+](=O)[O-])c(C)c1C[N@H+]1C[C@@]2(CCCO2)[C@@H]1C1CC1 ZINC001462283062 1182933589 /nfs/dbraw/zinc/93/35/89/1182933589.db2.gz YGNWBMKBTXXXGB-ROUUACIJSA-N 1 1 316.401 3.355 20 5 DGBDMO CC[C@@H]([NH2+]Cc1cc(C(=O)OC)co1)c1cccc([N+](=O)[O-])c1 ZINC001473333640 1183745190 /nfs/dbraw/zinc/74/51/90/1183745190.db2.gz DEPQKLUCBCUHJQ-OAHLLOKOSA-N 1 1 318.329 3.215 20 5 DGBDMO Cc1ccccc1[C@@H](CO)[N@@H+](C)Cc1ccc(C)c([N+](=O)[O-])c1 ZINC001473799540 1183803879 /nfs/dbraw/zinc/80/38/79/1183803879.db2.gz DPJXGSFKWKSDSG-GOSISDBHSA-N 1 1 314.385 3.377 20 5 DGBDMO O=[N+]([O-])c1cc(F)ccc1C[N@@H+]1CCCC[C@@]12CCCOC2 ZINC001473901530 1183821545 /nfs/dbraw/zinc/82/15/45/1183821545.db2.gz LRNMZDDPGRQEIL-INIZCTEOSA-N 1 1 308.353 3.269 20 5 DGBDMO O=[N+]([O-])c1cc(F)ccc1C[N@H+]1CCCC[C@@]12CCCOC2 ZINC001473901530 1183821551 /nfs/dbraw/zinc/82/15/51/1183821551.db2.gz LRNMZDDPGRQEIL-INIZCTEOSA-N 1 1 308.353 3.269 20 5 DGBDMO COc1c(O)ccc(C[N@@H+](C)[C@@H]2CCC[C@H](C)C2)c1[N+](=O)[O-] ZINC001474401061 1183916231 /nfs/dbraw/zinc/91/62/31/1183916231.db2.gz DJFZKGJMHRPEEF-WCQYABFASA-N 1 1 308.378 3.320 20 5 DGBDMO CCC[N@@H+](CC)C[C@H](C)NCc1ccc(Cl)cc1[N+](=O)[O-] ZINC001474561525 1183940528 /nfs/dbraw/zinc/94/05/28/1183940528.db2.gz ZMRZCUFDLRCOOJ-LBPRGKRZSA-N 1 1 313.829 3.458 20 5 DGBDMO CCc1c[nH]c2nc[nH+]c(N(C)Cc3ccccc3[N+](=O)[O-])c12 ZINC001611777821 1193441257 /nfs/dbraw/zinc/44/12/57/1193441257.db2.gz RRNINYOZMVMZBP-UHFFFAOYSA-N 1 1 311.345 3.065 20 5 DGBDMO C[N@H+]1CCN(c2cccc(C(F)(F)F)c2[N+](=O)[O-])CC1(C)C ZINC001612554005 1193455066 /nfs/dbraw/zinc/45/50/66/1193455066.db2.gz RQUNRBCWNLJQCL-UHFFFAOYSA-N 1 1 317.311 3.144 20 5 DGBDMO CCc1[nH+]ccn1CCNc1nc2ccccc2cc1[N+](=O)[O-] ZINC001612907823 1193463296 /nfs/dbraw/zinc/46/32/96/1193463296.db2.gz DLZJPCGZURMWEB-UHFFFAOYSA-N 1 1 311.345 3.014 20 5 DGBDMO C[N@H+]1CCC[C@H](CNc2cc(C(F)(F)F)ccc2[N+](=O)[O-])C1 ZINC001559101544 1189170942 /nfs/dbraw/zinc/17/09/42/1189170942.db2.gz LSSIUPQFJBDZBG-SNVBAGLBSA-N 1 1 317.311 3.367 20 5 DGBDMO C[C@@H]1[C@H](Nc2ccc(C(F)(F)F)cc2[N+](=O)[O-])CC[N@H+]1C ZINC001559283671 1189192356 /nfs/dbraw/zinc/19/23/56/1189192356.db2.gz SLYPGLWRFLMQSP-PSASIEDQSA-N 1 1 303.284 3.118 20 5 DGBDMO CC(C)(C)[C@@H]1CC[N@@H+](CCc2ccc([N+](=O)[O-])cc2)CCO1 ZINC001560235296 1189295871 /nfs/dbraw/zinc/29/58/71/1189295871.db2.gz GRLXCUQJAYRRIT-INIZCTEOSA-N 1 1 306.406 3.274 20 5 DGBDMO O=[N+]([O-])c1ccc(CC[N@@H+]2CCCC[C@@H]2c2ncccn2)cc1 ZINC001644366087 1195103592 /nfs/dbraw/zinc/10/35/92/1195103592.db2.gz VIZIKGYHMANWIB-MRXNPFEDSA-N 1 1 312.373 3.155 20 5 DGBDMO O=[N+]([O-])c1ccc(CC[N@H+]2CCCC[C@@H]2c2ncccn2)cc1 ZINC001644366087 1195103596 /nfs/dbraw/zinc/10/35/96/1195103596.db2.gz VIZIKGYHMANWIB-MRXNPFEDSA-N 1 1 312.373 3.155 20 5 DGBDMO CCCC[N@@H+](CCn1cc([N+](=O)[O-])cn1)[C@@H]1CCC[C@@H](C)C1 ZINC001645913459 1195207345 /nfs/dbraw/zinc/20/73/45/1195207345.db2.gz WNHJJWOENIYKJD-HUUCEWRRSA-N 1 1 308.426 3.472 20 5 DGBDMO CC[N@H+]1CCCC[C@H]1CNc1ccc2cnccc2c1[N+](=O)[O-] ZINC001650744746 1195377324 /nfs/dbraw/zinc/37/73/24/1195377324.db2.gz MCEZGKJPFOGKCM-AWEZNQCLSA-N 1 1 314.389 3.429 20 5 DGBDMO O=[N+]([O-])c1cccc(C[NH2+]Cc2cccc(C(F)(F)F)n2)c1 ZINC001651099779 1195414745 /nfs/dbraw/zinc/41/47/45/1195414745.db2.gz RGGLJYYYSBOCTK-UHFFFAOYSA-N 1 1 311.263 3.298 20 5 DGBDMO CCn1cnc(Cl)c1C[NH2+][C@@H](C)c1ccc([N+](=O)[O-])cc1 ZINC001651554347 1195479376 /nfs/dbraw/zinc/47/93/76/1195479376.db2.gz LUKUJLPMZIVCLL-JTQLQIEISA-N 1 1 308.769 3.315 20 5 DGBDMO CC[N@@H+]1CC[C@@H]1CNc1c(Cl)c(Cl)ccc1[N+](=O)[O-] ZINC001652157613 1195555769 /nfs/dbraw/zinc/55/57/69/1195555769.db2.gz PHWJBBWSHVHIAR-MRVPVSSYSA-N 1 1 304.177 3.408 20 5 DGBDMO CC[N@H+]1CC[C@@H]1CNc1c(Cl)c(Cl)ccc1[N+](=O)[O-] ZINC001652157613 1195555773 /nfs/dbraw/zinc/55/57/73/1195555773.db2.gz PHWJBBWSHVHIAR-MRVPVSSYSA-N 1 1 304.177 3.408 20 5 DGBDMO CN(C)c1cc[nH+]c(CNc2ncc([N+](=O)[O-])c3ccccc32)c1 ZINC001652234352 1195566342 /nfs/dbraw/zinc/56/63/42/1195566342.db2.gz ZEXWBUAAXAAXGU-UHFFFAOYSA-N 1 1 323.356 3.216 20 5 DGBDMO CO[C@]1(C)C[C@@H]([N@@H+](C)CCOc2cccc([N+](=O)[O-])c2)C1(C)C ZINC001652571079 1195618894 /nfs/dbraw/zinc/61/88/94/1195618894.db2.gz FCHNGONTHJCMGN-NVXWUHKLSA-N 1 1 322.405 3.109 20 5 DGBDMO CO[C@@]1(C)C[C@@H]([N@@H+](C)CCOc2cccc([N+](=O)[O-])c2)C1(C)C ZINC001652571081 1195619042 /nfs/dbraw/zinc/61/90/42/1195619042.db2.gz FCHNGONTHJCMGN-WBVHZDCISA-N 1 1 322.405 3.109 20 5 DGBDMO CO[C@]1(C)C[C@H]([N@@H+](C)CCc2ccc([N+](=O)[O-])cc2)C1(C)C ZINC001653449930 1195724981 /nfs/dbraw/zinc/72/49/81/1195724981.db2.gz PBRVJOCFECUASF-DOTOQJQBSA-N 1 1 306.406 3.273 20 5 DGBDMO CCCCCC[C@H](O)C[N@H+]1CCc2ccc([N+](=O)[O-])cc2C1 ZINC001653553513 1195733637 /nfs/dbraw/zinc/73/36/37/1195733637.db2.gz IXBOHOKVEXHYIR-KRWDZBQOSA-N 1 1 306.406 3.284 20 5 DGBDMO Cc1ncc([N+](=O)[O-])n1CC[N@@H+]1CC[C@H](C(C)(C)C)C[C@@H]1C ZINC001653769924 1195749386 /nfs/dbraw/zinc/74/93/86/1195749386.db2.gz QRPGKRLDDJNXRN-JSGCOSHPSA-N 1 1 308.426 3.246 20 5 DGBDMO C[C@@H](C(=O)Nc1ccc([N+](=O)[O-])cc1)[N@@H+](C)CCC(C)(C)C ZINC001654012303 1195767330 /nfs/dbraw/zinc/76/73/30/1195767330.db2.gz HZXHKZQFQIJJNU-LBPRGKRZSA-N 1 1 307.394 3.290 20 5 DGBDMO O=[N+]([O-])c1ccc(OCCC[N@H+]2CC[C@H]3CSC[C@H]3C2)cc1 ZINC001654541783 1195815581 /nfs/dbraw/zinc/81/55/81/1195815581.db2.gz YAYXHOALESPSDE-UONOGXRCSA-N 1 1 322.430 3.049 20 5 DGBDMO C[C@@]12CSC[C@@H]1C[N@@H+](Cc1ccc(Cl)c([N+](=O)[O-])c1)C2 ZINC001656401392 1196036357 /nfs/dbraw/zinc/03/63/57/1196036357.db2.gz AMCXIEUHHTVNTK-SMDDNHRTSA-N 1 1 312.822 3.433 20 5 DGBDMO Cc1ncc([N+](=O)[O-])n1CC[N@H+](CCC(C)C)C1CCCC1 ZINC001657094117 1196104029 /nfs/dbraw/zinc/10/40/29/1196104029.db2.gz WBAZKZXGLNALHV-UHFFFAOYSA-N 1 1 308.426 3.390 20 5 DGBDMO CC[C@](C)(C[N@@H+](C)Cc1cc([N+](=O)[O-])ccc1Cl)OC ZINC001657242387 1196122765 /nfs/dbraw/zinc/12/27/65/1196122765.db2.gz GHPHXZHCLLAPII-CQSZACIVSA-N 1 1 300.786 3.495 20 5 DGBDMO CC[C@H](C)C[N@@H+](CC)CCOc1ccc(OC)cc1[N+](=O)[O-] ZINC001657471525 1196145868 /nfs/dbraw/zinc/14/58/68/1196145868.db2.gz MTTAVHQYJCGEDU-ZDUSSCGKSA-N 1 1 310.394 3.350 20 5 DGBDMO Cc1ccc(NCc2cccc([N+](=O)[O-])c2C)c(N(C)C)[nH+]1 ZINC001657707187 1196171356 /nfs/dbraw/zinc/17/13/56/1196171356.db2.gz AIECAIBICCQSRD-UHFFFAOYSA-N 1 1 300.362 3.285 20 5 DGBDMO Cc1nn(C)c(Cl)c1C[NH2+][C@H](C)c1cccc([N+](=O)[O-])c1 ZINC001657985242 1196198748 /nfs/dbraw/zinc/19/87/48/1196198748.db2.gz KBNPWXZYOVGBHF-SECBINFHSA-N 1 1 308.769 3.141 20 5 DGBDMO Cc1ccc([N+](=O)[O-])c(C)c1C[N@H+]1CCOC[C@@H](C2CCC2)C1 ZINC001658186469 1196222309 /nfs/dbraw/zinc/22/23/09/1196222309.db2.gz QTBPYRYRBIYALN-INIZCTEOSA-N 1 1 318.417 3.460 20 5 DGBDMO Cc1ccc([N+](=O)[O-])c(C)c1C[N@H+]1CC[C@@H]2CSC[C@H]2C1 ZINC001658738386 1196293979 /nfs/dbraw/zinc/29/39/79/1196293979.db2.gz WPXHZRRLVVIXLR-ZIAGYGMSSA-N 1 1 306.431 3.397 20 5 DGBDMO Cc1ccc([N+](=O)[O-])c(C)c1C[N@H+](C)[C@@H](CO)c1ccccc1 ZINC001659282598 1196366787 /nfs/dbraw/zinc/36/67/87/1196366787.db2.gz KJYMXQNCHFBZBH-SFHVURJKSA-N 1 1 314.385 3.377 20 5 DGBDMO C[C@H]([NH2+]Cc1cnc2ccccc2n1)c1ccccc1[N+](=O)[O-] ZINC001659956622 1196432100 /nfs/dbraw/zinc/43/21/00/1196432100.db2.gz JFWJACJPLSPBTP-LBPRGKRZSA-N 1 1 308.341 3.389 20 5 DGBDMO Cn1c[nH+]c2c1ccc1c2CCCN1Cc1cccc([N+](=O)[O-])c1 ZINC001660620101 1196504976 /nfs/dbraw/zinc/50/49/76/1196504976.db2.gz BSDCRIPEGSSORA-UHFFFAOYSA-N 1 1 322.368 3.434 20 5 DGBDMO CC(C)(C)[C@@H]1CC[N@@H+](CCOc2ccc([N+](=O)[O-])cc2)CCO1 ZINC001660683005 1196512127 /nfs/dbraw/zinc/51/21/27/1196512127.db2.gz OCFQOKSZTGXLED-INIZCTEOSA-N 1 1 322.405 3.111 20 5 DGBDMO COc1ccc(C[N@H+]2CCCC[C@@]23CCCOC3)cc1[N+](=O)[O-] ZINC001660701137 1196514040 /nfs/dbraw/zinc/51/40/40/1196514040.db2.gz RKMIWLIQATUVIH-KRWDZBQOSA-N 1 1 320.389 3.139 20 5 DGBDMO COc1ccc(C[C@H](C)[N@@H+](C)Cc2cccnc2)c([N+](=O)[O-])c1 ZINC001170329922 1082347641 /nfs/dbraw/zinc/34/76/41/1082347641.db2.gz WWDJTTRBTMEIQW-ZDUSSCGKSA-N 1 1 315.373 3.061 20 5 DGBDMO COc1ccc(C[C@H](C)[N@H+]2C[C@@H](C)C[C@H]2CF)c([N+](=O)[O-])c1 ZINC001170329072 1082347727 /nfs/dbraw/zinc/34/77/27/1082347727.db2.gz OBIGZSVSKAXNGU-OBJOEFQTSA-N 1 1 310.369 3.214 20 5 DGBDMO COc1ccc(C[C@H](C)[N@H+]2CCC[C@H](CF)C2)c([N+](=O)[O-])c1 ZINC001170345233 1082356905 /nfs/dbraw/zinc/35/69/05/1082356905.db2.gz IJAWLKKEPAWVBQ-QWHCGFSZSA-N 1 1 310.369 3.216 20 5 DGBDMO COc1ccc(C[C@@H](C)[N@H+](C)Cc2nccs2)c([N+](=O)[O-])c1 ZINC001170351800 1082358206 /nfs/dbraw/zinc/35/82/06/1082358206.db2.gz JJNPPOLYLIMBJM-LLVKDONJSA-N 1 1 321.402 3.123 20 5 DGBDMO COc1ccc(C[C@@H](C)[N@@H+](C)Cc2nccs2)c([N+](=O)[O-])c1 ZINC001170351800 1082358212 /nfs/dbraw/zinc/35/82/12/1082358212.db2.gz JJNPPOLYLIMBJM-LLVKDONJSA-N 1 1 321.402 3.123 20 5 DGBDMO C[C@@H]1CCCC[C@@H]1C[N@H+]1CC[C@H](Nc2ccc([N+](=O)[O-])cn2)C1 ZINC001167778214 1083797378 /nfs/dbraw/zinc/79/73/78/1083797378.db2.gz BZBCGHINUJCAHV-KFWWJZLASA-N 1 1 318.421 3.302 20 5 DGBDMO Cc1[nH+]c(N)ccc1CNc1ccc2cnccc2c1[N+](=O)[O-] ZINC001167786526 1083943159 /nfs/dbraw/zinc/94/31/59/1083943159.db2.gz UDCXCYYHHCOLIH-UHFFFAOYSA-N 1 1 309.329 3.041 20 5 DGBDMO C[C@@H]1CCC[N@@H+](CCNc2ccc3cnccc3c2[N+](=O)[O-])C1 ZINC001184839322 1084273496 /nfs/dbraw/zinc/27/34/96/1084273496.db2.gz GJNRTOKUBJKQFI-CYBMUJFWSA-N 1 1 314.389 3.287 20 5 DGBDMO C[C@H](C[N@H+]1CCC[C@H](C)C1)Nc1c(F)cc([N+](=O)[O-])cc1F ZINC001185018180 1084313212 /nfs/dbraw/zinc/31/32/12/1084313212.db2.gz XRUCAZRDZKLGKS-WDEREUQCSA-N 1 1 313.348 3.405 20 5 DGBDMO C[N@H+]1CCC[C@H](Oc2cc(Cl)c(Cl)cc2[N+](=O)[O-])C1 ZINC001227129640 1086500035 /nfs/dbraw/zinc/50/00/35/1086500035.db2.gz LLOAWJLKYCMGGG-QMMMGPOBSA-N 1 1 305.161 3.375 20 5 DGBDMO C[NH+]1CCN(C(=O)c2c3ccccc3cc3ccccc32)CC1 ZINC001153489221 1088260653 /nfs/dbraw/zinc/26/06/53/1088260653.db2.gz JQCJAPSZSBQNBD-UHFFFAOYSA-N 1 1 304.393 3.381 20 5 DGBDMO Cc1ccc(Nc2cc([C@@H]3CCCC[NH2+]3)no2)c([N+](=O)[O-])c1 ZINC001159314110 1088285295 /nfs/dbraw/zinc/28/52/95/1088285295.db2.gz XYIYKJQQUVLSFS-NSHDSACASA-N 1 1 302.334 3.449 20 5 DGBDMO Cc1cc(NC(=[NH2+])C(C)(C)C)nc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC001155181927 1088995145 /nfs/dbraw/zinc/99/51/45/1088995145.db2.gz XXEFYBTWWRLUEK-UHFFFAOYSA-N 1 1 313.361 3.217 20 5 DGBDMO O=[N+]([O-])c1cnc(Cl)cc1N[C@H]1CC[N@@H+](CC2CCCC2)C1 ZINC001161182013 1089144350 /nfs/dbraw/zinc/14/43/50/1089144350.db2.gz TVXDWJSUGHGMSF-LBPRGKRZSA-N 1 1 324.812 3.320 20 5 DGBDMO CC(C)[N@@H+](C)[C@H]1CCN(c2ncc([N+](=O)[O-])c3ccccc32)C1 ZINC001157010947 1089785921 /nfs/dbraw/zinc/78/59/21/1089785921.db2.gz UUWCKSBACZMTBW-ZDUSSCGKSA-N 1 1 314.389 3.062 20 5 DGBDMO C[C@H]([NH3+])c1ccc2c(ccn2-c2ccc3[nH]cnc3c2[N+](=O)[O-])c1 ZINC001162908936 1090020051 /nfs/dbraw/zinc/02/00/51/1090020051.db2.gz STFDJYGNAHEIMU-JTQLQIEISA-N 1 1 321.340 3.435 20 5 DGBDMO C[N@H+]1CCC[C@H](CCNc2cc([N+](=O)[O-])cc3cc[nH]c32)C1 ZINC001165278606 1090494818 /nfs/dbraw/zinc/49/48/18/1090494818.db2.gz IISMAJHCLSOBTE-GFCCVEGCSA-N 1 1 302.378 3.220 20 5 DGBDMO COc1cc(NCC[C@@H]2CCC[N@@H+](C)C2)cc([N+](=O)[O-])c1C ZINC001165290325 1090497892 /nfs/dbraw/zinc/49/78/92/1090497892.db2.gz SJOBBAPUVFOECM-ZDUSSCGKSA-N 1 1 307.394 3.056 20 5 DGBDMO COc1c(O)ccc(C[N@H+]2C[C@H](C(C)C)[C@H]2C(C)C)c1[N+](=O)[O-] ZINC001205790051 1091348995 /nfs/dbraw/zinc/34/89/95/1091348995.db2.gz ZHAQZCBHDTYWDL-UKRRQHHQSA-N 1 1 322.405 3.421 20 5 DGBDMO OC[C@@H]1CC[N@@H+](Cc2c3ccccc3cc3ccccc32)C[C@H]1O ZINC001141723102 1092325071 /nfs/dbraw/zinc/32/50/71/1092325071.db2.gz OQPZJEKHTVJTIH-LAUBAEHRSA-N 1 1 321.420 3.168 20 5 DGBDMO COc1cccc([C@@H]2CCC[N@H+]([C@H]3CC[C@@H](C[N+](=O)[O-])C3)C2)c1 ZINC001169040913 1092500275 /nfs/dbraw/zinc/50/02/75/1092500275.db2.gz ADNLMPNXSYMMJI-OIISXLGYSA-N 1 1 318.417 3.320 20 5 DGBDMO O=[N+]([O-])C[C@H]1CC[C@@H]([N@H+]2CCc3c4ccccc4oc3C2)C1 ZINC001169038659 1092501321 /nfs/dbraw/zinc/50/13/21/1092501321.db2.gz JYSYMHWJRDXGBX-QWHCGFSZSA-N 1 1 300.358 3.236 20 5 DGBDMO COc1ccc([C@@H]2CCC[N@H+]2[C@@H]2CC[C@@H](C[N+](=O)[O-])C2)cc1 ZINC001169026410 1092507695 /nfs/dbraw/zinc/50/76/95/1092507695.db2.gz LSNJTPCIPVKPPS-UNEWFSDZSA-N 1 1 304.390 3.278 20 5 DGBDMO CC[N@@H+](CCc1ccc(OC)cc1)[C@H]1CC[C@@H](C[N+](=O)[O-])C1 ZINC001169046895 1092508322 /nfs/dbraw/zinc/50/83/22/1092508322.db2.gz OGAZVSKKDIDTAD-CVEARBPZSA-N 1 1 306.406 3.005 20 5 DGBDMO Cc1[nH+]ccn1Cc1ccc(Nc2ccc(N)c([N+](=O)[O-])c2)cc1 ZINC001209936634 1092989053 /nfs/dbraw/zinc/98/90/53/1092989053.db2.gz VHEKERTXPYVEHP-UHFFFAOYSA-N 1 1 323.356 3.474 20 5 DGBDMO O=[N+]([O-])c1ccccc1-c1ccc(O[C@@H]2C[NH2+]CC2(F)F)cc1 ZINC001218235214 1094670247 /nfs/dbraw/zinc/67/02/47/1094670247.db2.gz AHRZGMNPOHHJEP-OAHLLOKOSA-N 1 1 320.295 3.248 20 5 DGBDMO C[C@H]1C[C@H](Nc2ncc([N+](=O)[O-])c3ccccc32)CC[N@H+]1C ZINC001337340969 1094938821 /nfs/dbraw/zinc/93/88/21/1094938821.db2.gz ZGRWICNJBKQSLG-NWDGAFQWSA-N 1 1 300.362 3.038 20 5 DGBDMO O=[N+]([O-])c1ccc(OCC[N@H+]2CC[C@H]3CCCC[C@@H]3C2)cc1 ZINC001115907969 1095417525 /nfs/dbraw/zinc/41/75/25/1095417525.db2.gz RPOALCSEDBEYJU-HUUCEWRRSA-N 1 1 304.390 3.486 20 5 DGBDMO CCC[N@@H+]1CCCC[C@@H]1C(=O)OCc1ccc([N+](=O)[O-])cc1F ZINC001116183779 1095477400 /nfs/dbraw/zinc/47/74/00/1095477400.db2.gz KGVIXLUKEAXGCW-OAHLLOKOSA-N 1 1 324.352 3.042 20 5 DGBDMO CCC[N@H+]1CCCC[C@@H]1C(=O)OCc1ccc([N+](=O)[O-])cc1F ZINC001116183779 1095477411 /nfs/dbraw/zinc/47/74/11/1095477411.db2.gz KGVIXLUKEAXGCW-OAHLLOKOSA-N 1 1 324.352 3.042 20 5 DGBDMO Cc1cccc(CO[C@@H]2[C@@H]3CCC[C@H]2C[N@H+](C)C3)c1[N+](=O)[O-] ZINC001223665137 1096032245 /nfs/dbraw/zinc/03/22/45/1096032245.db2.gz OIVUIHTZGQJSEA-XOIINTDNSA-N 1 1 304.390 3.150 20 5 DGBDMO O=[N+]([O-])c1ccc2c(c1)C[N@@H+](CC[C@H](O)c1ccccc1)CC2 ZINC001119251605 1096144871 /nfs/dbraw/zinc/14/48/71/1096144871.db2.gz ZWEDIZLPGVWMST-SFHVURJKSA-N 1 1 312.369 3.077 20 5 DGBDMO C[N@@H+]1C[C@H]2CCC[C@@H](C1)[C@@H]2Oc1cccc([N+](=O)[O-])c1Cl ZINC001225789293 1096530030 /nfs/dbraw/zinc/53/00/30/1096530030.db2.gz RNRLECFWLNWBPR-QHBPRCKVSA-N 1 1 310.781 3.357 20 5 DGBDMO O=[N+]([O-])c1ccc(F)c(O[C@H]2CC[N@@H+](Cc3ccccc3)C2)c1 ZINC001226266312 1096649696 /nfs/dbraw/zinc/64/96/96/1096649696.db2.gz RXEVXPOMRJZCLK-HNNXBMFYSA-N 1 1 316.332 3.387 20 5 DGBDMO CC[N@H+]1CCC[C@@H](Oc2cc(C(F)(F)F)ccc2[N+](=O)[O-])C1 ZINC001226303494 1096657211 /nfs/dbraw/zinc/65/72/11/1096657211.db2.gz QHSMHAKCUOIDAO-LLVKDONJSA-N 1 1 318.295 3.477 20 5 DGBDMO Cc1ccc(N2CCC(Oc3cccc([N+](=O)[O-])c3)CC2)[nH+]c1 ZINC001226763685 1096770958 /nfs/dbraw/zinc/77/09/58/1096770958.db2.gz ZIBCRKCEUWDUFM-UHFFFAOYSA-N 1 1 313.357 3.346 20 5 DGBDMO C[N@@H+]1C[C@H]2CCC[C@@H](C1)[C@@H]2Oc1cc([N+](=O)[O-])ccc1Cl ZINC001226804429 1096782657 /nfs/dbraw/zinc/78/26/57/1096782657.db2.gz KDFIGZYIPSFIDI-QHBPRCKVSA-N 1 1 310.781 3.357 20 5 DGBDMO O=[N+]([O-])c1cncc(O[C@@H]2CCC[N@@H+](Cc3ccccc3)C2)c1 ZINC001227988591 1097025914 /nfs/dbraw/zinc/02/59/14/1097025914.db2.gz STYPJHSHMYMWBY-MRXNPFEDSA-N 1 1 313.357 3.033 20 5 DGBDMO CC[N@H+]1CC[C@@H](Oc2c([N+](=O)[O-])cccc2C(F)(F)F)C1 ZINC001228930718 1097220055 /nfs/dbraw/zinc/22/00/55/1097220055.db2.gz OVBBBEAMLHTODL-SECBINFHSA-N 1 1 304.268 3.087 20 5 DGBDMO C[C@@H](Oc1ccc(C(=[NH2+])NO)c(F)c1)c1cccc([N+](=O)[O-])c1 ZINC001229082764 1097252122 /nfs/dbraw/zinc/25/21/22/1097252122.db2.gz IPWGCOVOVQFYAN-SECBINFHSA-N 1 1 319.292 3.178 20 5 DGBDMO CN(C)CC(C)(C)C[NH2+][C@H]1CCc2ccc([N+](=O)[O-])cc2CC1 ZINC001172901614 1097268226 /nfs/dbraw/zinc/26/82/26/1097268226.db2.gz OZEBZOSWOVSDGI-INIZCTEOSA-N 1 1 319.449 3.020 20 5 DGBDMO C[C@@H]1CC[N@H+]([C@H]2CCc3ccc([N+](=O)[O-])cc3CC2)CCC1=O ZINC001172905053 1097268971 /nfs/dbraw/zinc/26/89/71/1097268971.db2.gz QIOGERXBNWTCRA-CJNGLKHVSA-N 1 1 316.401 3.143 20 5 DGBDMO Cc1cc(F)cc([N+](=O)[O-])c1O[C@H]1[C@@H]2CCC[C@H]1C[N@H+](C)C2 ZINC001229200505 1097275471 /nfs/dbraw/zinc/27/54/71/1097275471.db2.gz HDYXGLYOCMSQKV-ATCWAGBWSA-N 1 1 308.353 3.151 20 5 DGBDMO CC1(C)C[N@H+]([C@@H]2CCc3ccc([N+](=O)[O-])cc3CC2)CCC1=O ZINC001172912460 1097277706 /nfs/dbraw/zinc/27/77/06/1097277706.db2.gz ARISYSNVWPAVAH-OAHLLOKOSA-N 1 1 316.401 3.143 20 5 DGBDMO CO[C@@H]1CC[N@H+]([C@H]2CCc3ccc([N+](=O)[O-])cc3CC2)[C@@H](C)C1 ZINC001172913646 1097278239 /nfs/dbraw/zinc/27/82/39/1097278239.db2.gz SXPUSUFEESMAJZ-QANKJYHBSA-N 1 1 318.417 3.342 20 5 DGBDMO CO[C@@H]1CC[N@H+]([C@@H]2CCc3ccc([N+](=O)[O-])cc3CC2)[C@H](C)C1 ZINC001172913644 1097278450 /nfs/dbraw/zinc/27/84/50/1097278450.db2.gz SXPUSUFEESMAJZ-MZMPZRCHSA-N 1 1 318.417 3.342 20 5 DGBDMO COCC[N@@H+](C(C)C)[C@@H]1CCc2ccc([N+](=O)[O-])cc2CC1 ZINC001172916902 1097279336 /nfs/dbraw/zinc/27/93/36/1097279336.db2.gz URLWRMYDGKAZDU-MRXNPFEDSA-N 1 1 306.406 3.199 20 5 DGBDMO CO[C@H]1CCC[N@H+]([C@H]2CCc3ccc([N+](=O)[O-])cc3CC2)CC1 ZINC001172916461 1097279342 /nfs/dbraw/zinc/27/93/42/1097279342.db2.gz RVRBWNFGRQFJTD-WMZOPIPTSA-N 1 1 318.417 3.343 20 5 DGBDMO O=[N+]([O-])c1ccc2c(c1)CC[C@@H]([N@@H+]1CCOCC13CCC3)CC2 ZINC001172917615 1097280358 /nfs/dbraw/zinc/28/03/58/1097280358.db2.gz WDKSYKQCFOWKLR-INIZCTEOSA-N 1 1 316.401 3.097 20 5 DGBDMO O=[N+]([O-])c1ccc2c(c1)CC[C@@H]([N@H+]1CCOCC13CCC3)CC2 ZINC001172917615 1097280361 /nfs/dbraw/zinc/28/03/61/1097280361.db2.gz WDKSYKQCFOWKLR-INIZCTEOSA-N 1 1 316.401 3.097 20 5 DGBDMO COc1ccc([N+](=O)[O-])c(C[C@H](C)[NH+]2CC3(CCC3)C2)c1F ZINC001173183198 1097356696 /nfs/dbraw/zinc/35/66/96/1097356696.db2.gz XCNDJCNGNUADCB-NSHDSACASA-N 1 1 308.353 3.159 20 5 DGBDMO COc1ccc([N+](=O)[O-])c(C[C@@H](C)[N@H+]2CCC[C@H](C)C2)c1F ZINC001173184043 1097356733 /nfs/dbraw/zinc/35/67/33/1097356733.db2.gz LDWXADCHMOSILP-NWDGAFQWSA-N 1 1 310.369 3.405 20 5 DGBDMO COc1ccc([N+](=O)[O-])c(C[C@H](C)[N@@H+](C)CCC2CC2)c1F ZINC001173194876 1097358775 /nfs/dbraw/zinc/35/87/75/1097358775.db2.gz ARAFRHQGCWLMET-NSHDSACASA-N 1 1 310.369 3.405 20 5 DGBDMO CCC(CC)[N@@H+]1CC[C@H](N[C@H](C)Cc2ccc([N+](=O)[O-])cc2)C1 ZINC001173219282 1097370714 /nfs/dbraw/zinc/37/07/14/1097370714.db2.gz AHNVCUXQTIGPSV-ZBFHGGJFSA-N 1 1 319.449 3.378 20 5 DGBDMO CCC(CC)[N@H+]1CC[C@H](N[C@H](C)Cc2ccc([N+](=O)[O-])cc2)C1 ZINC001173219282 1097370717 /nfs/dbraw/zinc/37/07/17/1097370717.db2.gz AHNVCUXQTIGPSV-ZBFHGGJFSA-N 1 1 319.449 3.378 20 5 DGBDMO C[C@H](Cc1ccc([N+](=O)[O-])cc1)[N@@H+]1CC[C@H](N2CCCCC2)C1 ZINC001173225499 1097374855 /nfs/dbraw/zinc/37/48/55/1097374855.db2.gz COKBSJVSRUOFRF-QAPCUYQASA-N 1 1 317.433 3.086 20 5 DGBDMO C[C@H](Cc1ccc([N+](=O)[O-])cc1)[N@H+]1CC[C@H](N2CCCCC2)C1 ZINC001173225499 1097374859 /nfs/dbraw/zinc/37/48/59/1097374859.db2.gz COKBSJVSRUOFRF-QAPCUYQASA-N 1 1 317.433 3.086 20 5 DGBDMO C[C@@H](Cc1ccc([N+](=O)[O-])cc1)[N@H+](C)CC(=O)c1ccccc1 ZINC001173230199 1097375941 /nfs/dbraw/zinc/37/59/41/1097375941.db2.gz CPVUUINSLSRUBC-AWEZNQCLSA-N 1 1 312.369 3.341 20 5 DGBDMO C[C@@H](Cc1ccc([N+](=O)[O-])cc1)[N@@H+](C)CC(=O)c1ccccc1 ZINC001173230199 1097375942 /nfs/dbraw/zinc/37/59/42/1097375942.db2.gz CPVUUINSLSRUBC-AWEZNQCLSA-N 1 1 312.369 3.341 20 5 DGBDMO CC[C@H](C)[C@@H](C(=O)OC)[N@@H+](C)[C@H](C)Cc1ccc([N+](=O)[O-])cc1 ZINC001173229844 1097376401 /nfs/dbraw/zinc/37/64/01/1097376401.db2.gz AVEIBWQUXKUADI-ZENOOKHLSA-N 1 1 322.405 3.045 20 5 DGBDMO CCC[N@H+](CCCN(C)C)[C@H](C)Cc1ccc([N+](=O)[O-])cc1 ZINC001173231151 1097377715 /nfs/dbraw/zinc/37/77/15/1097377715.db2.gz JYFQOZIMIYYAOG-OAHLLOKOSA-N 1 1 307.438 3.190 20 5 DGBDMO CCC[N@@H+](CCCN(C)C)[C@H](C)Cc1ccc([N+](=O)[O-])cc1 ZINC001173231151 1097377722 /nfs/dbraw/zinc/37/77/22/1097377722.db2.gz JYFQOZIMIYYAOG-OAHLLOKOSA-N 1 1 307.438 3.190 20 5 DGBDMO C[C@H](C[NH+]1CCOCC1)Oc1nccc2c3ccccc3ccc21 ZINC001230202919 1097457068 /nfs/dbraw/zinc/45/70/68/1097457068.db2.gz FTVLSGZEAVRAKM-OAHLLOKOSA-N 1 1 322.408 3.488 20 5 DGBDMO Cc1ccc(C[N@H+]2CC3(CCCC3)OC[C@H]2C)cc1[N+](=O)[O-] ZINC001174853373 1097869063 /nfs/dbraw/zinc/86/90/63/1097869063.db2.gz JNMQFYWRVLWABH-CQSZACIVSA-N 1 1 304.390 3.437 20 5 DGBDMO Cc1ccc(C[N@@H+]2CC3(CCCC3)OC[C@H]2C)cc1[N+](=O)[O-] ZINC001174853373 1097869066 /nfs/dbraw/zinc/86/90/66/1097869066.db2.gz JNMQFYWRVLWABH-CQSZACIVSA-N 1 1 304.390 3.437 20 5 DGBDMO C[C@@H]1C[N@@H+](Cc2ccc3ccc4cccnc4c3n2)CCC[C@H]1O ZINC001232218710 1097970659 /nfs/dbraw/zinc/97/06/59/1097970659.db2.gz KGCHKCSYLRHEQZ-RDTXWAMCSA-N 1 1 321.424 3.376 20 5 DGBDMO c1cnc2c(c1)ccc1ccc(C[N@H+]3CC[C@]4(CCOC4)C3)nc12 ZINC001232219038 1097971435 /nfs/dbraw/zinc/97/14/35/1097971435.db2.gz PKZPVFFXMYRGPD-FQEVSTJZSA-N 1 1 319.408 3.395 20 5 DGBDMO COC[C@H]1CCC[N@H+]1Cc1ccc2ccc3cccnc3c2n1 ZINC001232219102 1097971509 /nfs/dbraw/zinc/97/15/09/1097971509.db2.gz RAMWDXBCSNSERU-QGZVFWFLSA-N 1 1 307.397 3.394 20 5 DGBDMO c1cnc2c(c1)ccc1ccc(C[N@H+]3CC[C@@H]4OCC[C@H]4C3)nc12 ZINC001232225046 1097972973 /nfs/dbraw/zinc/97/29/73/1097972973.db2.gz MDZFWXPVXRREIG-WMZOPIPTSA-N 1 1 319.408 3.394 20 5 DGBDMO CC(C)[N@H+]1CCC[C@@H](Oc2ccc3cccc([N+](=O)[O-])c3n2)C1 ZINC001233837113 1098440493 /nfs/dbraw/zinc/44/04/93/1098440493.db2.gz UIRGDVDXPCZTCQ-CQSZACIVSA-N 1 1 315.373 3.395 20 5 DGBDMO Cc1ccc([N+](=O)[O-])c(C)c1CNC[C@@H](C)[NH+]1CCC(C)CC1 ZINC001177548804 1098554733 /nfs/dbraw/zinc/55/47/33/1098554733.db2.gz SEZNJOXZBYMBPK-OAHLLOKOSA-N 1 1 319.449 3.422 20 5 DGBDMO CCOc1cc(N2CC[N@@H+](C)C[C@H]2CC(C)C)ccc1[N+](=O)[O-] ZINC001187708945 1099581699 /nfs/dbraw/zinc/58/16/99/1099581699.db2.gz NTFBXLUGCFMEKY-OAHLLOKOSA-N 1 1 321.421 3.160 20 5 DGBDMO CC1(C)C[C@H]([N@@H+](CC[N+](=O)[O-])Cc2ccccc2)C(C)(C)O1 ZINC001192832332 1100666933 /nfs/dbraw/zinc/66/69/33/1100666933.db2.gz GZQFFZMQVKMCTJ-HNNXBMFYSA-N 1 1 306.406 3.111 20 5 DGBDMO C[N@H+]1C[C@@]2(C)CN(Cc3ccc([N+](=O)[O-])cc3Cl)C[C@@]2(C)C1 ZINC001196632663 1101355108 /nfs/dbraw/zinc/35/51/08/1101355108.db2.gz WAJDTDAHVQNTTI-IYBDPMFKSA-N 1 1 323.824 3.022 20 5 DGBDMO CC(C)[C@]1(CO)CC[N@@H+](Cc2cc(Cl)ccc2[N+](=O)[O-])C1 ZINC001325873067 1103143547 /nfs/dbraw/zinc/14/35/47/1103143547.db2.gz KJJGYGCAFOPNBF-OAHLLOKOSA-N 1 1 312.797 3.089 20 5 DGBDMO O=[N+]([O-])c1cccc(C[N@H+](CC2CCC(O)CC2)C2CC2)c1 ZINC001327546957 1103678939 /nfs/dbraw/zinc/67/89/39/1103678939.db2.gz OSKMTZRSXJSBSR-UHFFFAOYSA-N 1 1 304.390 3.110 20 5 DGBDMO C/C(=C/c1cccc([N+](=O)[O-])c1)CNCC[N@@H+]1CCCC1(C)C ZINC001202789684 1103680811 /nfs/dbraw/zinc/68/08/11/1103680811.db2.gz STYBMFNZBUVQFZ-QINSGFPZSA-N 1 1 317.433 3.462 20 5 DGBDMO C/C(=C/c1cccc([N+](=O)[O-])c1)CNCC[N@H+]1CCCC1(C)C ZINC001202789684 1103680820 /nfs/dbraw/zinc/68/08/20/1103680820.db2.gz STYBMFNZBUVQFZ-QINSGFPZSA-N 1 1 317.433 3.462 20 5 DGBDMO C[NH+](C)Cc1nnc(-c2ccc(C(C)(C)C)c([N+](=O)[O-])c2)o1 ZINC001328432328 1103944556 /nfs/dbraw/zinc/94/45/56/1103944556.db2.gz DDMOMCZPSKHGRG-UHFFFAOYSA-N 1 1 304.350 3.004 20 5 DGBDMO O=[N+]([O-])c1ccc(C[N@@H+]2CC[C@@H]3C[C@@H]3C2)c(Br)c1 ZINC001330581128 1104584092 /nfs/dbraw/zinc/58/40/92/1104584092.db2.gz FIYCQIUUPZOBMG-MWLCHTKSSA-N 1 1 311.179 3.199 20 5 DGBDMO O=[N+]([O-])c1ccc(C[N@H+]2CC[C@@H]3C[C@@H]3C2)c(Br)c1 ZINC001330581128 1104584102 /nfs/dbraw/zinc/58/41/02/1104584102.db2.gz FIYCQIUUPZOBMG-MWLCHTKSSA-N 1 1 311.179 3.199 20 5 DGBDMO CCCC1CCC([N@@H+](C)CCn2c(C)ncc2[N+](=O)[O-])CC1 ZINC001307742663 1104719099 /nfs/dbraw/zinc/71/90/99/1104719099.db2.gz RMXFXVQCQMZXEJ-UHFFFAOYSA-N 1 1 308.426 3.390 20 5 DGBDMO CC(C)[C@H]([NH3+])c1nc(-c2ccc3ccc4cccnc4c3n2)no1 ZINC001247417773 1104898165 /nfs/dbraw/zinc/89/81/65/1104898165.db2.gz JRQSYPGQPCYMML-AWEZNQCLSA-N 1 1 319.368 3.489 20 5 DGBDMO CC[C@H]([NH3+])c1nc(-c2ccc3ccc4cccnc4c3n2)no1 ZINC001247493118 1104912527 /nfs/dbraw/zinc/91/25/27/1104912527.db2.gz YGBRNCFWNFFHDR-LBPRGKRZSA-N 1 1 305.341 3.243 20 5 DGBDMO C[NH+](C)Cc1ccc2nc(Cc3ccc([N+](=O)[O-])cc3)[nH]c2c1 ZINC001250607037 1105546382 /nfs/dbraw/zinc/54/63/82/1105546382.db2.gz QRTVKMHMRRQNCO-UHFFFAOYSA-N 1 1 310.357 3.124 20 5 DGBDMO Cc1ccc(CC2CC[NH+](Cn3nccc3[N+](=O)[O-])CC2)cc1 ZINC001254477027 1106077815 /nfs/dbraw/zinc/07/78/15/1106077815.db2.gz FPXCWUHSPTUABA-UHFFFAOYSA-N 1 1 314.389 3.012 20 5 DGBDMO C[C@@]1(CF)CC[N@H+](C2CCN(c3ccc([N+](=O)[O-])cc3)CC2)C1 ZINC001254474680 1106077976 /nfs/dbraw/zinc/07/79/76/1106077976.db2.gz SPLBWDJDYXLOPQ-KRWDZBQOSA-N 1 1 321.396 3.245 20 5 DGBDMO CC1CC([N@@H+](C)C2CCN(c3ccc([N+](=O)[O-])cc3)CC2)C1 ZINC001254474368 1106078360 /nfs/dbraw/zinc/07/83/60/1106078360.db2.gz OLEQKIHIMBCCAV-UHFFFAOYSA-N 1 1 303.406 3.294 20 5 DGBDMO C[C@H](Cc1ccccc1[N+](=O)[O-])[N@@H+](C)Cc1cccc(O)c1 ZINC001254551803 1106101239 /nfs/dbraw/zinc/10/12/39/1106101239.db2.gz FXJSQLQPZBRNQZ-CYBMUJFWSA-N 1 1 300.358 3.363 20 5 DGBDMO C[C@H](Cc1ccccc1[N+](=O)[O-])[N@@H+]1CCC(=O)[C@H]2CCCC[C@H]21 ZINC001254550099 1106101789 /nfs/dbraw/zinc/10/17/89/1106101789.db2.gz CQDTXZYQWLPVKO-UKPHBRMFSA-N 1 1 316.401 3.359 20 5 DGBDMO C[C@H](Cc1ccccc1[N+](=O)[O-])[N@H+]1CCC(=O)[C@H]2CCCC[C@H]21 ZINC001254550099 1106101793 /nfs/dbraw/zinc/10/17/93/1106101793.db2.gz CQDTXZYQWLPVKO-UKPHBRMFSA-N 1 1 316.401 3.359 20 5 DGBDMO C[C@H](Cc1ccccc1[N+](=O)[O-])[N@H+]1CCC[C@](C)(O)[C@@H](C)C1 ZINC001254552808 1106102409 /nfs/dbraw/zinc/10/24/09/1106102409.db2.gz PMLYCTPIEFEGQG-VBQJREDUSA-N 1 1 306.406 3.009 20 5 DGBDMO C[C@H](Cc1ccccc1[N+](=O)[O-])[N@H+]1CC[C@H](c2ccncc2)C1 ZINC001254563069 1106104100 /nfs/dbraw/zinc/10/41/00/1106104100.db2.gz SPVQMIWGNYJMRU-PBHICJAKSA-N 1 1 311.385 3.410 20 5 DGBDMO C[C@H](Cc1ccccc1[N+](=O)[O-])N1CCC([N@@H+](C)C2CC2)CC1 ZINC001254563876 1106104291 /nfs/dbraw/zinc/10/42/91/1106104291.db2.gz FTJUJHYQCIJELB-CQSZACIVSA-N 1 1 317.433 3.084 20 5 DGBDMO C[C@@H](Cc1ccccc1[N+](=O)[O-])[N@H+]1CC[C@@H](c2cccnc2)C1 ZINC001254562618 1106104438 /nfs/dbraw/zinc/10/44/38/1106104438.db2.gz ODXAFRCICYBSHR-WMLDXEAASA-N 1 1 311.385 3.410 20 5 DGBDMO C[C@H](Cc1ccccc1[N+](=O)[O-])[N@H+](C)CC(=O)c1ccccc1 ZINC001254568412 1106105773 /nfs/dbraw/zinc/10/57/73/1106105773.db2.gz ZSKMOQRNWUKJCO-CQSZACIVSA-N 1 1 312.369 3.341 20 5 DGBDMO C[C@H](Cc1ccccc1[N+](=O)[O-])[N@@H+](C)CC(=O)c1ccccc1 ZINC001254568412 1106105777 /nfs/dbraw/zinc/10/57/77/1106105777.db2.gz ZSKMOQRNWUKJCO-CQSZACIVSA-N 1 1 312.369 3.341 20 5 DGBDMO C[N@@H+](Cc1ccc(F)cc1)[C@@H]1Cc2ccc([N+](=O)[O-])cc2C1 ZINC001254597305 1106110501 /nfs/dbraw/zinc/11/05/01/1106110501.db2.gz HBCBMTGQVFUBOQ-QGZVFWFLSA-N 1 1 300.333 3.333 20 5 DGBDMO C[N@@H+](Cc1ccc(Cl)nc1)[C@H]1Cc2ccc([N+](=O)[O-])cc2C1 ZINC001254602843 1106111765 /nfs/dbraw/zinc/11/17/65/1106111765.db2.gz JFLKFNMQPJCJMU-HNNXBMFYSA-N 1 1 317.776 3.242 20 5 DGBDMO COc1ccc2c(c1)C[N@@H+]([C@@H]1Cc3ccc([N+](=O)[O-])cc3C1)CC2 ZINC001254600840 1106111839 /nfs/dbraw/zinc/11/18/39/1106111839.db2.gz VVJSDFIPTUVVQZ-GOSISDBHSA-N 1 1 324.380 3.129 20 5 DGBDMO O=[N+]([O-])c1ccc2c(c1)C[C@@H]([N@H+]1CCC[C@@H]1c1nccs1)C2 ZINC001254604898 1106112570 /nfs/dbraw/zinc/11/25/70/1106112570.db2.gz YFMFRGZLMOFICN-LSDHHAIUSA-N 1 1 315.398 3.356 20 5 DGBDMO COc1cccc2c1C[N@H+]([C@@H]1Cc3ccc([N+](=O)[O-])cc3C1)C2 ZINC001254609307 1106112648 /nfs/dbraw/zinc/11/26/48/1106112648.db2.gz VFUVHOCTOYIKEB-MRXNPFEDSA-N 1 1 310.353 3.086 20 5 DGBDMO C[N@@H+](CCc1ccccc1F)[C@H]1Cc2ccc([N+](=O)[O-])cc2C1 ZINC001254612108 1106113142 /nfs/dbraw/zinc/11/31/42/1106113142.db2.gz VEAZVUAMIBEXMN-KRWDZBQOSA-N 1 1 314.360 3.376 20 5 DGBDMO O=[N+]([O-])c1ccc2c(c1)CN(c1cc[nH+]cc1Br)C2 ZINC001255176213 1106199769 /nfs/dbraw/zinc/19/97/69/1106199769.db2.gz SGDHURSIZYWUIN-UHFFFAOYSA-N 1 1 320.146 3.273 20 5 DGBDMO COc1ccc(C[N@@H+](C)[C@@H]2CC[C@H](SC)C2)cc1[N+](=O)[O-] ZINC001322159158 1107547085 /nfs/dbraw/zinc/54/70/85/1107547085.db2.gz PSPICECDFCBDLB-OLZOCXBDSA-N 1 1 310.419 3.319 20 5 DGBDMO Cn1ccnc1[C@@H]([NH2+]CCCC(F)F)c1ccc([N+](=O)[O-])cc1 ZINC001262161088 1107633895 /nfs/dbraw/zinc/63/38/95/1107633895.db2.gz YCOIIRIHXSWJBY-AWEZNQCLSA-N 1 1 324.331 3.053 20 5 DGBDMO Cn1ccnc1[C@H]([NH2+]CCCC(F)F)c1ccc([N+](=O)[O-])cc1 ZINC001262161089 1107634269 /nfs/dbraw/zinc/63/42/69/1107634269.db2.gz YCOIIRIHXSWJBY-CQSZACIVSA-N 1 1 324.331 3.053 20 5 DGBDMO Cc1c([C@H](C)N[C@@H]2CCCC[C@H]2[NH+](C)C)cccc1[N+](=O)[O-] ZINC001319392919 1108444882 /nfs/dbraw/zinc/44/48/82/1108444882.db2.gz GPMYPXMGGPQYIQ-YSVLISHTSA-N 1 1 305.422 3.427 20 5 DGBDMO O=[N+]([O-])c1ccccc1N1C[C@H]2CC[N@@H+](Cc3ccccc3)[C@H]2C1 ZINC001307144840 1111271135 /nfs/dbraw/zinc/27/11/35/1111271135.db2.gz GQDOAJNYHUJZPM-APWZRJJASA-N 1 1 323.396 3.306 20 5 DGBDMO CN(C)c1cccc(C[NH2+]C(C)(C)c2ccccc2[N+](=O)[O-])n1 ZINC001307799498 1111341592 /nfs/dbraw/zinc/34/15/92/1111341592.db2.gz CNKMNGQGBNQSAM-UHFFFAOYSA-N 1 1 314.389 3.081 20 5 DGBDMO Cc1ncc([N+](=O)[O-])n1CC[N@H+]1CCC[C@H]1CC1CCCC1 ZINC001307884719 1111351356 /nfs/dbraw/zinc/35/13/56/1111351356.db2.gz IYWWWNJFLKSJBP-HNNXBMFYSA-N 1 1 306.410 3.144 20 5 DGBDMO CC[C@@H]1C[N@@H+](CCCOc2ccc([N+](=O)[O-])cc2)[C@@H](CC)CO1 ZINC001307908521 1111353957 /nfs/dbraw/zinc/35/39/57/1111353957.db2.gz QMQFDEWZDDLTRF-GOEBONIOSA-N 1 1 322.405 3.253 20 5 DGBDMO CC[C@H]1C[N@@H+](CCCOc2ccc([N+](=O)[O-])cc2)[C@@H](CC)CO1 ZINC001307908522 1111354437 /nfs/dbraw/zinc/35/44/37/1111354437.db2.gz QMQFDEWZDDLTRF-HOCLYGCPSA-N 1 1 322.405 3.253 20 5 DGBDMO CC[N@H+](CCc1ccc([N+](=O)[O-])cc1)[C@@H](C)C(=O)OC(C)(C)C ZINC001307926204 1111356821 /nfs/dbraw/zinc/35/68/21/1111356821.db2.gz PROGEXFXUVTKRR-ZDUSSCGKSA-N 1 1 322.405 3.189 20 5 DGBDMO CC[N@@H+](CCc1ccc([N+](=O)[O-])cc1)[C@@H](C)C(=O)OC(C)(C)C ZINC001307926204 1111356825 /nfs/dbraw/zinc/35/68/25/1111356825.db2.gz PROGEXFXUVTKRR-ZDUSSCGKSA-N 1 1 322.405 3.189 20 5 DGBDMO Cc1ccccc1[C@H](CO)[N@@H+](C)CCc1ccc([N+](=O)[O-])cc1 ZINC001308078099 1111374646 /nfs/dbraw/zinc/37/46/46/1111374646.db2.gz JKZYBNZXTARZGM-SFHVURJKSA-N 1 1 314.385 3.111 20 5 DGBDMO O=[N+]([O-])c1ccc(OCC[N@H+]2CCCC[C@]23CCCOC3)cc1 ZINC001308170814 1111390463 /nfs/dbraw/zinc/39/04/63/1111390463.db2.gz NNPLOVRTNYWNJU-QGZVFWFLSA-N 1 1 320.389 3.009 20 5 DGBDMO Cc1ccc([N+](=O)[O-])c(C)c1CN[C@@H]1CC[N@H+](C(C)(C)C)C1 ZINC001308462583 1111431242 /nfs/dbraw/zinc/43/12/42/1111431242.db2.gz LYWANLLBLOUJEO-CQSZACIVSA-N 1 1 305.422 3.174 20 5 DGBDMO Cc1ccc([N+](=O)[O-])c(C)c1C[NH2+][C@@H]1CCN(C(C)(C)C)C1 ZINC001308462583 1111431245 /nfs/dbraw/zinc/43/12/45/1111431245.db2.gz LYWANLLBLOUJEO-CQSZACIVSA-N 1 1 305.422 3.174 20 5 DGBDMO O=[N+]([O-])c1ccc(N[C@H]2CC[N@H+]3CCC[C@@H]3C2)c2cccnc21 ZINC000322585931 231211670 /nfs/dbraw/zinc/21/16/70/231211670.db2.gz ITQOFOYGHXCUDL-QWHCGFSZSA-N 1 1 312.373 3.182 20 5 DGBDMO O=[N+]([O-])c1c(N[C@H]2CC[N@H+]3CCC[C@H]3C2)ccc2ncccc21 ZINC000322601474 231212425 /nfs/dbraw/zinc/21/24/25/231212425.db2.gz MIALBWWRIDGIBO-STQMWFEESA-N 1 1 312.373 3.182 20 5 DGBDMO Cc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@@H+]1C[C@H](C)CC1(C)C ZINC000331020631 232357079 /nfs/dbraw/zinc/35/70/79/232357079.db2.gz XTSKYGRETPKGJX-GFCCVEGCSA-N 1 1 319.405 3.352 20 5 DGBDMO CC[N@@H+](CC(=O)N(C)c1ccc([N+](=O)[O-])cc1)C1CCCCC1 ZINC000130197948 432017857 /nfs/dbraw/zinc/01/78/57/432017857.db2.gz UICUPVNBJFJJOL-UHFFFAOYSA-N 1 1 319.405 3.212 20 5 DGBDMO C[N@H+]1CCC[C@H]1CCN(Cc1ccccc1[N+](=O)[O-])C1CC1 ZINC000130307687 432020088 /nfs/dbraw/zinc/02/00/88/432020088.db2.gz QGJXYQFLICQJAN-HNNXBMFYSA-N 1 1 303.406 3.044 20 5 DGBDMO Cc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@H+](C)C1CCCC1 ZINC000150322197 186056899 /nfs/dbraw/zinc/05/68/99/186056899.db2.gz LGLWBOXLHSDPIB-UHFFFAOYSA-N 1 1 305.378 3.106 20 5 DGBDMO CC(C)Oc1ccc([N+](=O)[O-])cc1C[N@H+]1CCC[C@@H]1C[C@@H](C)O ZINC000152622055 186090659 /nfs/dbraw/zinc/09/06/59/186090659.db2.gz DCQLHJHJGMOKDA-UKRRQHHQSA-N 1 1 322.405 3.117 20 5 DGBDMO CCOC[C@@H]1CCC[N@@H+](Cc2cc([N+](=O)[O-])ccc2Cl)C1 ZINC000172180691 198053893 /nfs/dbraw/zinc/05/38/93/198053893.db2.gz SWLPXZVMTITTQI-GFCCVEGCSA-N 1 1 312.797 3.497 20 5 DGBDMO COc1ccc([N+](=O)[O-])cc1C[NH2+][C@H](C)c1ccccc1OC ZINC000172623631 198126482 /nfs/dbraw/zinc/12/64/82/198126482.db2.gz ZMEAMQACZZIXEO-GFCCVEGCSA-N 1 1 316.357 3.463 20 5 DGBDMO Cc1cc([N+](=O)[O-])ccc1NC(=O)C[N@H+]([C@H](C)C1CC1)C1CC1 ZINC000072561073 191194169 /nfs/dbraw/zinc/19/41/69/191194169.db2.gz ZFZXFVOYNWCKLH-GFCCVEGCSA-N 1 1 317.389 3.105 20 5 DGBDMO CC(C)C1CC[NH+]([C@@H](C)C(=O)Nc2ccccc2[N+](=O)[O-])CC1 ZINC000072717332 191221776 /nfs/dbraw/zinc/22/17/76/191221776.db2.gz IRIOPKDBFHOPTH-ZDUSSCGKSA-N 1 1 319.405 3.290 20 5 DGBDMO COc1ccc(OCC[N@@H+](C)[C@H](C)c2ccco2)c([N+](=O)[O-])c1 ZINC000173583521 198229714 /nfs/dbraw/zinc/22/97/14/198229714.db2.gz PKRKADLHTIGERS-GFCCVEGCSA-N 1 1 320.345 3.268 20 5 DGBDMO CCOCC[N@H+](CC)Cc1cc([N+](=O)[O-])ccc1OC(C)C ZINC000107680731 432036749 /nfs/dbraw/zinc/03/67/49/432036749.db2.gz KCDZDRVEKVEQEK-UHFFFAOYSA-N 1 1 310.394 3.240 20 5 DGBDMO CCOCC[N@@H+](CC)Cc1cc([N+](=O)[O-])ccc1OC(C)C ZINC000107680731 432036751 /nfs/dbraw/zinc/03/67/51/432036751.db2.gz KCDZDRVEKVEQEK-UHFFFAOYSA-N 1 1 310.394 3.240 20 5 DGBDMO CCOc1cc(C[N@@H+](C)CCc2nccs2)ccc1[N+](=O)[O-] ZINC000276987951 213222184 /nfs/dbraw/zinc/22/21/84/213222184.db2.gz ZPFSMEBDCRJKOF-UHFFFAOYSA-N 1 1 321.402 3.125 20 5 DGBDMO Cc1ccc([C@@H](C)[NH2+]C2CCN(C(C)C)CC2)cc1[N+](=O)[O-] ZINC000236821723 202027297 /nfs/dbraw/zinc/02/72/97/202027297.db2.gz XNBPJUBCXRMBBJ-CQSZACIVSA-N 1 1 305.422 3.427 20 5 DGBDMO COC[C@@H](C)[N@@H+](C)Cc1ccc(-c2cccc([N+](=O)[O-])c2)o1 ZINC000179370558 432055893 /nfs/dbraw/zinc/05/58/93/432055893.db2.gz AWRZRKBNUFSONR-GFCCVEGCSA-N 1 1 304.346 3.322 20 5 DGBDMO Cc1nccn1CCCC[N@H+](C)Cc1ccccc1[N+](=O)[O-] ZINC000179397396 432056178 /nfs/dbraw/zinc/05/61/78/432056178.db2.gz HDMHFVCBTUOIJW-UHFFFAOYSA-N 1 1 302.378 3.012 20 5 DGBDMO C[C@@H]1CC[N@@H+](Cc2nnc(-c3ccc([N+](=O)[O-])cc3)o2)[C@H](C)C1 ZINC000133064003 432057366 /nfs/dbraw/zinc/05/73/66/432057366.db2.gz YARGHXIZOGNXHV-VXGBXAGGSA-N 1 1 316.361 3.265 20 5 DGBDMO CCC[N@@H+](C)C[C@H]1CCN(Cc2cccc([N+](=O)[O-])c2C)C1 ZINC000081568997 192293086 /nfs/dbraw/zinc/29/30/86/192293086.db2.gz NZNKRMGOIRMGCF-OAHLLOKOSA-N 1 1 305.422 3.067 20 5 DGBDMO Cc1ccc([N+](=O)[O-])cc1[C@H](C)NCC[N@@H+](C)C1CCCC1 ZINC000133252544 432059042 /nfs/dbraw/zinc/05/90/42/432059042.db2.gz NHODLBRMHJLCNX-AWEZNQCLSA-N 1 1 305.422 3.428 20 5 DGBDMO Cc1ccc([N+](=O)[O-])cc1[C@H](C)[NH2+]CCN(C)C1CCCC1 ZINC000133252544 432059043 /nfs/dbraw/zinc/05/90/43/432059043.db2.gz NHODLBRMHJLCNX-AWEZNQCLSA-N 1 1 305.422 3.428 20 5 DGBDMO CCC[C@@H](NC[C@H](C1CC1)[NH+](C)C)c1cccc([N+](=O)[O-])c1 ZINC000166271284 432059734 /nfs/dbraw/zinc/05/97/34/432059734.db2.gz LGDHWFDOKRFMSL-IAGOWNOFSA-N 1 1 305.422 3.366 20 5 DGBDMO CCOc1cccc(C[NH2+]Cc2cc([N+](=O)[O-])ccc2OC)c1 ZINC000236944923 202085830 /nfs/dbraw/zinc/08/58/30/202085830.db2.gz NGEUWZMFOZMSIW-UHFFFAOYSA-N 1 1 316.357 3.292 20 5 DGBDMO CCOc1cc(C[N@H+](C)Cc2scnc2C)ccc1[N+](=O)[O-] ZINC000276905699 213165670 /nfs/dbraw/zinc/16/56/70/213165670.db2.gz MHTXTCAZAGXXNW-UHFFFAOYSA-N 1 1 321.402 3.390 20 5 DGBDMO CCOc1cc(C[N@@H+](C)Cc2scnc2C)ccc1[N+](=O)[O-] ZINC000276905699 213165672 /nfs/dbraw/zinc/16/56/72/213165672.db2.gz MHTXTCAZAGXXNW-UHFFFAOYSA-N 1 1 321.402 3.390 20 5 DGBDMO O=[N+]([O-])c1ccc(CC[N@H+]2CCc3ccc(F)cc3C2)cc1 ZINC000134079295 432073195 /nfs/dbraw/zinc/07/31/95/432073195.db2.gz YBYHQTPKIQJOPU-UHFFFAOYSA-N 1 1 300.333 3.335 20 5 DGBDMO [NH3+]CCC[C@H](NCc1csc([N+](=O)[O-])c1)c1ccccc1 ZINC000415060724 237046262 /nfs/dbraw/zinc/04/62/62/237046262.db2.gz XJPNTGFFIKMLFO-AWEZNQCLSA-N 1 1 305.403 3.226 20 5 DGBDMO CCN(C)CC[NH2+][C@@H](c1ccccc1)c1cccc([N+](=O)[O-])c1 ZINC000180270834 432082924 /nfs/dbraw/zinc/08/29/24/432082924.db2.gz FFFGEWQEPPZOSO-SFHVURJKSA-N 1 1 313.401 3.226 20 5 DGBDMO C[C@H]([NH2+]Cc1cn2ccsc2n1)c1cccc([N+](=O)[O-])c1 ZINC000180393123 432085381 /nfs/dbraw/zinc/08/53/81/432085381.db2.gz OWSKZCVYTGVWCA-JTQLQIEISA-N 1 1 302.359 3.155 20 5 DGBDMO COCC(C)(C)[N@@H+](C)Cc1coc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000429251807 238045047 /nfs/dbraw/zinc/04/50/47/238045047.db2.gz BYGNUGXSQITLBH-UHFFFAOYSA-N 1 1 319.361 3.107 20 5 DGBDMO COc1cc([N+](=O)[O-])ccc1C[N@@H+](C)C[C@@H](C)c1nccs1 ZINC000430207125 238070923 /nfs/dbraw/zinc/07/09/23/238070923.db2.gz YVDRLTLTGYTSLY-LLVKDONJSA-N 1 1 321.402 3.295 20 5 DGBDMO Cc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@H+](C)[C@H]1CC[C@@H](C)C1 ZINC000429584356 238056272 /nfs/dbraw/zinc/05/62/72/238056272.db2.gz DTDNTGCHQOHHOC-OCCSQVGLSA-N 1 1 319.405 3.352 20 5 DGBDMO O=[N+]([O-])c1ccccc1/C=C/CNC[C@H]1CCCC[N@@H+]1C1CC1 ZINC000434797407 238246180 /nfs/dbraw/zinc/24/61/80/238246180.db2.gz YAGDSBMHORBZNZ-QQOXCAACSA-N 1 1 315.417 3.215 20 5 DGBDMO O=[N+]([O-])c1ccccc1/C=C/CNC[C@H]1CCCC[N@H+]1C1CC1 ZINC000434797407 238246184 /nfs/dbraw/zinc/24/61/84/238246184.db2.gz YAGDSBMHORBZNZ-QQOXCAACSA-N 1 1 315.417 3.215 20 5 DGBDMO COc1ccc(OCC[N@@H+](C)Cc2occc2C)c([N+](=O)[O-])c1 ZINC000292470819 223101259 /nfs/dbraw/zinc/10/12/59/223101259.db2.gz ZRINNWZKEFZDKF-UHFFFAOYSA-N 1 1 320.345 3.016 20 5 DGBDMO O=[N+]([O-])c1ccc(Cl)c(C[N@@H+]2CC[C@@H](O)C23CCCC3)c1 ZINC000292656541 223187445 /nfs/dbraw/zinc/18/74/45/223187445.db2.gz IHHNRLBITQKQMK-CQSZACIVSA-N 1 1 310.781 3.128 20 5 DGBDMO COc1ccc(OCC[N@H+]2CCC[C@H]3CCC[C@@H]32)c([N+](=O)[O-])c1 ZINC000441451914 239054954 /nfs/dbraw/zinc/05/49/54/239054954.db2.gz OJXSABLYARKABQ-HIFRSBDPSA-N 1 1 320.389 3.247 20 5 DGBDMO Cc1cc([N+](=O)[O-])ccc1NC(=O)C[N@H+]1C[C@@H](C)CCC[C@@H]1C ZINC000444225697 239271037 /nfs/dbraw/zinc/27/10/37/239271037.db2.gz RLNMTEZHEOKREI-JSGCOSHPSA-N 1 1 319.405 3.352 20 5 DGBDMO CCCCN1CCC([NH2+][C@@H](C)Cc2ccccc2[N+](=O)[O-])CC1 ZINC000449099335 240016928 /nfs/dbraw/zinc/01/69/28/240016928.db2.gz NGILIEDEQIZOBX-HNNXBMFYSA-N 1 1 319.449 3.380 20 5 DGBDMO Cc1cc(C[NH2+]Cc2cc([N+](=O)[O-])ccc2OC(F)F)ccn1 ZINC000449403893 240179430 /nfs/dbraw/zinc/17/94/30/240179430.db2.gz RVKKRFCLMQJZRU-UHFFFAOYSA-N 1 1 323.299 3.189 20 5 DGBDMO CC[C@@H]1C[C@H]1C[NH2+][C@@H](c1nccn1C)c1cccc([N+](=O)[O-])c1 ZINC000449483072 240236864 /nfs/dbraw/zinc/23/68/64/240236864.db2.gz GCSHUXZYAFVIMP-IVMMDQJWSA-N 1 1 314.389 3.053 20 5 DGBDMO C[N@@H+](C/C=C/c1ccccc1[N+](=O)[O-])[C@H](CO)CC(C)(C)C ZINC000449581836 240303797 /nfs/dbraw/zinc/30/37/97/240303797.db2.gz CETNNYDBRFCAAS-HEWZJLJBSA-N 1 1 306.406 3.337 20 5 DGBDMO Cc1cnc(C[N@H+]2CCC[C@H](c3ccc([N+](=O)[O-])cc3)C2)cn1 ZINC000449505314 240253182 /nfs/dbraw/zinc/25/31/82/240253182.db2.gz WVYYORIIHBZWSK-HNNXBMFYSA-N 1 1 312.373 3.073 20 5 DGBDMO CO[C@@H]1C[C@H]([N@@H+](C)Cc2ccc([N+](=O)[O-])cc2F)C12CCC2 ZINC000449631318 240331389 /nfs/dbraw/zinc/33/13/89/240331389.db2.gz KHHGQSBKKVKSAN-LSDHHAIUSA-N 1 1 308.353 3.123 20 5 DGBDMO O=[N+]([O-])c1ccccc1C[N@H+](CCOCC(F)(F)F)C1CC1 ZINC000135223019 432106329 /nfs/dbraw/zinc/10/63/29/432106329.db2.gz VHPWDZXZFQFCDI-UHFFFAOYSA-N 1 1 318.295 3.138 20 5 DGBDMO O=[N+]([O-])c1ccccc1C[N@@H+](CCOCC(F)(F)F)C1CC1 ZINC000135223019 432106334 /nfs/dbraw/zinc/10/63/34/432106334.db2.gz VHPWDZXZFQFCDI-UHFFFAOYSA-N 1 1 318.295 3.138 20 5 DGBDMO C[C@H](c1cccc([N+](=O)[O-])c1)[N@H+]1CC[C@@H]2C[C@H](O)CC[C@@H]2C1 ZINC000451701972 241211937 /nfs/dbraw/zinc/21/19/37/241211937.db2.gz HZCUGLCIKKHQLT-DNNBLBMLSA-N 1 1 304.390 3.139 20 5 DGBDMO Cc1cc([N+](=O)[O-])ccc1NC(=O)C[N@H+]1[C@@H](C)CCC1(C)C ZINC000452005721 241296720 /nfs/dbraw/zinc/29/67/20/241296720.db2.gz KIPJYSSUUBCDCQ-LBPRGKRZSA-N 1 1 305.378 3.105 20 5 DGBDMO C[C@@H]1CCC(C)(C)[N@H+]1Cc1nc(-c2ccc([N+](=O)[O-])cc2)no1 ZINC000452014245 241297067 /nfs/dbraw/zinc/29/70/67/241297067.db2.gz UBCPIIVNLLBCEZ-LLVKDONJSA-N 1 1 316.361 3.408 20 5 DGBDMO C/C(=C/c1cccc([N+](=O)[O-])c1)CNC1CC[NH+](C(C)C)CC1 ZINC000468623400 244056520 /nfs/dbraw/zinc/05/65/20/244056520.db2.gz WNIUHHPSLSQZPB-PTNGSMBKSA-N 1 1 317.433 3.461 20 5 DGBDMO C/C(=C/c1cccc([N+](=O)[O-])c1)C[NH2+]C1CCN(C(C)C)CC1 ZINC000468623400 244056526 /nfs/dbraw/zinc/05/65/26/244056526.db2.gz WNIUHHPSLSQZPB-PTNGSMBKSA-N 1 1 317.433 3.461 20 5 DGBDMO CCCC[N@H+](C)CCNC/C(C)=C/c1cccc([N+](=O)[O-])c1 ZINC000468627930 244057082 /nfs/dbraw/zinc/05/70/82/244057082.db2.gz HTLYAZLLWDBTDW-NTCAYCPXSA-N 1 1 305.422 3.320 20 5 DGBDMO CCCC[N@@H+](C)CCNC/C(C)=C/c1cccc([N+](=O)[O-])c1 ZINC000468627930 244057085 /nfs/dbraw/zinc/05/70/85/244057085.db2.gz HTLYAZLLWDBTDW-NTCAYCPXSA-N 1 1 305.422 3.320 20 5 DGBDMO CC[NH+](CC)CCCNC/C(C)=C\c1cccc([N+](=O)[O-])c1 ZINC000468636173 244057257 /nfs/dbraw/zinc/05/72/57/244057257.db2.gz XYFHDWIFIBVRKV-QINSGFPZSA-N 1 1 305.422 3.320 20 5 DGBDMO CC[C@@H](C)[N@H+](C)CCNC/C(C)=C/c1cccc([N+](=O)[O-])c1 ZINC000468647972 244059817 /nfs/dbraw/zinc/05/98/17/244059817.db2.gz IDNAVYREGIBAAE-ATGUSINASA-N 1 1 305.422 3.318 20 5 DGBDMO CC[C@@H](C)[N@@H+](C)CCNC/C(C)=C/c1cccc([N+](=O)[O-])c1 ZINC000468647972 244059822 /nfs/dbraw/zinc/05/98/22/244059822.db2.gz IDNAVYREGIBAAE-ATGUSINASA-N 1 1 305.422 3.318 20 5 DGBDMO CC(C)C[C@H]1CCC[N@H+](CC(=O)Nc2ccccc2[N+](=O)[O-])C1 ZINC000468775011 244065028 /nfs/dbraw/zinc/06/50/28/244065028.db2.gz BGEHMLHVZCDNSY-CQSZACIVSA-N 1 1 319.405 3.291 20 5 DGBDMO CC(C)C[C@H]1CCC[N@@H+](CC(=O)Nc2ccccc2[N+](=O)[O-])C1 ZINC000468775011 244065034 /nfs/dbraw/zinc/06/50/34/244065034.db2.gz BGEHMLHVZCDNSY-CQSZACIVSA-N 1 1 319.405 3.291 20 5 DGBDMO CC(C)C[C@@H]1CCC[N@H+](CC(=O)Nc2ccccc2[N+](=O)[O-])C1 ZINC000468774850 244066169 /nfs/dbraw/zinc/06/61/69/244066169.db2.gz BGEHMLHVZCDNSY-AWEZNQCLSA-N 1 1 319.405 3.291 20 5 DGBDMO CC(C)C[C@@H]1CCC[N@@H+](CC(=O)Nc2ccccc2[N+](=O)[O-])C1 ZINC000468774850 244066171 /nfs/dbraw/zinc/06/61/71/244066171.db2.gz BGEHMLHVZCDNSY-AWEZNQCLSA-N 1 1 319.405 3.291 20 5 DGBDMO CCN1CCC([N@@H+](C)C/C(C)=C/c2cccc([N+](=O)[O-])c2)CC1 ZINC000470170899 244153566 /nfs/dbraw/zinc/15/35/66/244153566.db2.gz CBFBODVBWSJQIX-NTCAYCPXSA-N 1 1 317.433 3.414 20 5 DGBDMO CC[NH+]1CCC(N(C)C/C(C)=C/c2cccc([N+](=O)[O-])c2)CC1 ZINC000470170899 244153582 /nfs/dbraw/zinc/15/35/82/244153582.db2.gz CBFBODVBWSJQIX-NTCAYCPXSA-N 1 1 317.433 3.414 20 5 DGBDMO CC[C@@H]1C[N@H+](C/C(C)=C/c2cccc([N+](=O)[O-])c2)C[C@H](C)O1 ZINC000470179936 244154558 /nfs/dbraw/zinc/15/45/58/244154558.db2.gz FOJWMYSWUUXDNG-JVHOSPSUSA-N 1 1 304.390 3.497 20 5 DGBDMO CC[C@@H]1C[N@@H+](C/C(C)=C/c2cccc([N+](=O)[O-])c2)C[C@H](C)O1 ZINC000470179936 244154564 /nfs/dbraw/zinc/15/45/64/244154564.db2.gz FOJWMYSWUUXDNG-JVHOSPSUSA-N 1 1 304.390 3.497 20 5 DGBDMO CCOC[C@@H]1CCC[N@H+](Cc2c(Cl)cccc2[N+](=O)[O-])C1 ZINC000119124449 284135156 /nfs/dbraw/zinc/13/51/56/284135156.db2.gz WLAXZFXZGSRUOS-GFCCVEGCSA-N 1 1 312.797 3.497 20 5 DGBDMO CCOC[C@@H]1CCC[N@@H+](Cc2c(Cl)cccc2[N+](=O)[O-])C1 ZINC000119124449 284135160 /nfs/dbraw/zinc/13/51/60/284135160.db2.gz WLAXZFXZGSRUOS-GFCCVEGCSA-N 1 1 312.797 3.497 20 5 DGBDMO CN(Cc1c(Cl)cccc1[N+](=O)[O-])C[C@@H]1CCC[N@@H+](C)C1 ZINC000119220058 284138198 /nfs/dbraw/zinc/13/81/98/284138198.db2.gz LZKIOFYFEAWEBK-GFCCVEGCSA-N 1 1 311.813 3.022 20 5 DGBDMO C[C@H]1C[C@@H](N(C)Cc2c(Cl)cccc2[N+](=O)[O-])CC[N@H+]1C ZINC000119285833 284139646 /nfs/dbraw/zinc/13/96/46/284139646.db2.gz KNFOMBBHKXGIJM-RYUDHWBXSA-N 1 1 311.813 3.163 20 5 DGBDMO Cc1cccc([N+](=O)[O-])c1N1CC[N@H+]([C@@H]2C[C@@H]2C)C[C@H](C)C1 ZINC000488718916 245221130 /nfs/dbraw/zinc/22/11/30/245221130.db2.gz HNQQUWRRCIVKNQ-DUVNUKRYSA-N 1 1 303.406 3.070 20 5 DGBDMO Cc1cccc([N+](=O)[O-])c1N1CC[N@H+]([C@@H]2C[C@H]2C)C[C@@H](C)C1 ZINC000488718921 245223756 /nfs/dbraw/zinc/22/37/56/245223756.db2.gz HNQQUWRRCIVKNQ-XNRPHZJLSA-N 1 1 303.406 3.070 20 5 DGBDMO CCCC[N@@H+](CCC(=O)Nc1ccccc1[N+](=O)[O-])C1CC1 ZINC000282545848 217077899 /nfs/dbraw/zinc/07/78/99/217077899.db2.gz CNQVKVOOPLVASF-UHFFFAOYSA-N 1 1 305.378 3.188 20 5 DGBDMO C[C@H]([NH2+]CC(=O)N1[C@H](C)CCC[C@@H]1C)c1ccccc1[N+](=O)[O-] ZINC000271689402 209127102 /nfs/dbraw/zinc/12/71/02/209127102.db2.gz DYJOMZFZPFPDIA-MJBXVCDLSA-N 1 1 319.405 3.035 20 5 DGBDMO COc1ccc([N+](=O)[O-])c(NCCCCn2cc[nH+]c2C)c1 ZINC000266231349 205201580 /nfs/dbraw/zinc/20/15/80/205201580.db2.gz JPLAFYCJLIYSEH-UHFFFAOYSA-N 1 1 304.350 3.001 20 5 DGBDMO CC(C)Cn1cc(C[N@@H+](C)CCc2cccc([N+](=O)[O-])c2)cn1 ZINC000283013394 217387490 /nfs/dbraw/zinc/38/74/90/217387490.db2.gz LPWZCBQVUVOBJT-UHFFFAOYSA-N 1 1 316.405 3.122 20 5 DGBDMO CC[C@H]1CCC[N@@H+](CCC(=O)Nc2ccc([N+](=O)[O-])cc2C)C1 ZINC000030144615 182584870 /nfs/dbraw/zinc/58/48/70/182584870.db2.gz PNTRIAVHFJGODI-AWEZNQCLSA-N 1 1 319.405 3.354 20 5 DGBDMO O=[N+]([O-])c1ccccc1CN1CC[C@@H]2[C@@H](CCC[N@H+]2C2CC2)C1 ZINC000246531457 432142239 /nfs/dbraw/zinc/14/22/39/432142239.db2.gz JJJLIPVWPSIKIR-WMLDXEAASA-N 1 1 315.417 3.044 20 5 DGBDMO CC(C)Oc1ccc([N+](=O)[O-])cc1C[N@@H+]1[C@H](C)CCC[C@H]1CO ZINC000136161165 432148299 /nfs/dbraw/zinc/14/82/99/432148299.db2.gz MNDCWTHVNUBMKA-CJNGLKHVSA-N 1 1 322.405 3.117 20 5 DGBDMO CC(C)Oc1ccc([N+](=O)[O-])cc1C[N@H+]1[C@H](C)CCC[C@H]1CO ZINC000136161165 432148309 /nfs/dbraw/zinc/14/83/09/432148309.db2.gz MNDCWTHVNUBMKA-CJNGLKHVSA-N 1 1 322.405 3.117 20 5 DGBDMO CCOc1cc(C[N@H+]2CCC[C@H]2[C@@H]2CCCO2)ccc1[N+](=O)[O-] ZINC000284857650 218210421 /nfs/dbraw/zinc/21/04/21/218210421.db2.gz RWYPHJWABSBZEC-HOCLYGCPSA-N 1 1 320.389 3.137 20 5 DGBDMO CCC[N@@H+](C)Cc1cc(OC)c(OC(F)F)cc1[N+](=O)[O-] ZINC000063761679 184288338 /nfs/dbraw/zinc/28/83/38/184288338.db2.gz HSUZSVIPFVRGBL-UHFFFAOYSA-N 1 1 304.293 3.047 20 5 DGBDMO Cc1cc([N+](=O)[O-])cnc1N[C@@H](C)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC000272656203 252834150 /nfs/dbraw/zinc/83/41/50/252834150.db2.gz BFZYOTDAKKKGET-KBPBESRZSA-N 1 1 318.421 3.363 20 5 DGBDMO C[C@@H]1C[C@H](Nc2ccc3ncccc3c2[N+](=O)[O-])CC[N@H+]1C ZINC000336853770 253007723 /nfs/dbraw/zinc/00/77/23/253007723.db2.gz JWIAJVROKPJFSW-VXGBXAGGSA-N 1 1 300.362 3.038 20 5 DGBDMO C[C@H]1CCCC[C@@H]1[N@@H+](C)CCC(=O)Nc1ccccc1[N+](=O)[O-] ZINC000336969561 253029012 /nfs/dbraw/zinc/02/90/12/253029012.db2.gz BOLCZFSGWVTTMD-ZFWWWQNUSA-N 1 1 319.405 3.434 20 5 DGBDMO Cc1c(C[NH2+]Cc2ccn(-c3ccccc3)n2)cccc1[N+](=O)[O-] ZINC000336878680 253018015 /nfs/dbraw/zinc/01/80/15/253018015.db2.gz HOPCYHTZPIAQDT-UHFFFAOYSA-N 1 1 322.368 3.379 20 5 DGBDMO CC[C@@]1(C)CC[N@@H+](CCC(=O)Nc2ccccc2[N+](=O)[O-])C1 ZINC000337209263 253062651 /nfs/dbraw/zinc/06/26/51/253062651.db2.gz AOHMNLXVIHHDIL-INIZCTEOSA-N 1 1 305.378 3.045 20 5 DGBDMO O=[N+]([O-])c1ccc(C[NH2+][C@H](CO)c2cccc(Cl)c2F)cc1 ZINC000337277842 253076932 /nfs/dbraw/zinc/07/69/32/253076932.db2.gz RYOYQEVWUADEDN-CQSZACIVSA-N 1 1 324.739 3.211 20 5 DGBDMO O=[N+]([O-])c1ccc(CC[N@@H+]2CCOc3cccc(F)c3C2)cc1 ZINC000338322058 253264385 /nfs/dbraw/zinc/26/43/85/253264385.db2.gz SKMIFEKTMONRLN-UHFFFAOYSA-N 1 1 316.332 3.171 20 5 DGBDMO O=[N+]([O-])c1ccc(CC[N@H+]2CCOc3cccc(F)c3C2)cc1 ZINC000338322058 253264387 /nfs/dbraw/zinc/26/43/87/253264387.db2.gz SKMIFEKTMONRLN-UHFFFAOYSA-N 1 1 316.332 3.171 20 5 DGBDMO CCOc1cccc(C[N@@H+](C)CCc2cccc([N+](=O)[O-])c2)n1 ZINC000338347599 253269667 /nfs/dbraw/zinc/26/96/67/253269667.db2.gz IGCCCQFMZZEZQE-UHFFFAOYSA-N 1 1 315.373 3.063 20 5 DGBDMO O=[N+]([O-])c1ccc(CC[N@H+]2CCS[C@H]3CCCC[C@H]32)cc1 ZINC000437541693 285111254 /nfs/dbraw/zinc/11/12/54/285111254.db2.gz XMWMXJROHSYCJC-CVEARBPZSA-N 1 1 306.431 3.497 20 5 DGBDMO Cc1ccc([N+](=O)[O-])c(N[C@H](C)[C@H]2CCC[N@H+](C3CCC3)C2)n1 ZINC000272990148 210371328 /nfs/dbraw/zinc/37/13/28/210371328.db2.gz QABOVYGXENTBLP-KGLIPLIRSA-N 1 1 318.421 3.363 20 5 DGBDMO COc1ccc([N+](=O)[O-])c(NC[C@H]2CCCC[N@H+]2C2CC2)c1 ZINC000338709360 253339108 /nfs/dbraw/zinc/33/91/08/253339108.db2.gz LRLXJMNXHPBXIH-CYBMUJFWSA-N 1 1 305.378 3.032 20 5 DGBDMO O=[N+]([O-])c1ccccc1/C=C\CNC1CC[NH+](C2CCC2)CC1 ZINC000338711517 253339344 /nfs/dbraw/zinc/33/93/44/253339344.db2.gz ZKSSXRRKKWXVBK-XQRVVYSFSA-N 1 1 315.417 3.215 20 5 DGBDMO O=[N+]([O-])c1ccc(NCC[N@@H+]2CC=CCC2)c(C(F)(F)F)c1 ZINC000338713655 253339669 /nfs/dbraw/zinc/33/96/69/253339669.db2.gz UNAOXUDNOSUUIZ-UHFFFAOYSA-N 1 1 315.295 3.287 20 5 DGBDMO C[N@@H+](CCc1cccc([N+](=O)[O-])c1)Cc1ccc2c[nH]nc2c1 ZINC000338953038 253377884 /nfs/dbraw/zinc/37/78/84/253377884.db2.gz BIQHEMLTUQYOKA-UHFFFAOYSA-N 1 1 310.357 3.146 20 5 DGBDMO O=[N+]([O-])c1ccc(C[N@H+]2CCC[C@@H](c3ncc[nH]3)C2)c(Cl)c1 ZINC000272963811 210350152 /nfs/dbraw/zinc/35/01/52/210350152.db2.gz NYBIRSPFGJFTJB-GFCCVEGCSA-N 1 1 320.780 3.351 20 5 DGBDMO CCC[C@]1(CO)CC[N@H+]([C@H](C)c2cc([N+](=O)[O-])ccc2C)C1 ZINC000288671810 220337143 /nfs/dbraw/zinc/33/71/43/220337143.db2.gz CGTQAHWNXZTHTF-PBHICJAKSA-N 1 1 306.406 3.449 20 5 DGBDMO O=[N+]([O-])c1ccc2c(c1)[C@H]([NH2+]Cc1ccc(F)cn1)CCC2 ZINC000447586022 285144902 /nfs/dbraw/zinc/14/49/02/285144902.db2.gz MHUORXMODDBIJW-MRXNPFEDSA-N 1 1 301.321 3.296 20 5 DGBDMO O=[N+]([O-])c1ccc2c(c1)[C@H]([NH2+]Cc1cn3ccccc3n1)CCC2 ZINC000278209357 285145132 /nfs/dbraw/zinc/14/51/32/285145132.db2.gz HQLNSHPVZFJOCC-QGZVFWFLSA-N 1 1 322.368 3.410 20 5 DGBDMO O=[N+]([O-])c1cccc(N2CC[NH+](C/C=C\c3ccccc3)CC2)c1 ZINC000255316125 285145481 /nfs/dbraw/zinc/14/54/81/285145481.db2.gz NCARQDMHMXXLAG-YVMONPNESA-N 1 1 323.396 3.430 20 5 DGBDMO Cc1cc(C[NH2+][C@H](C)c2ccc(C)c([N+](=O)[O-])c2)nc(C)n1 ZINC000342809217 254056119 /nfs/dbraw/zinc/05/61/19/254056119.db2.gz IIEDKTIFKZLJOL-GFCCVEGCSA-N 1 1 300.362 3.161 20 5 DGBDMO CN1CCC([NH2+]Cc2ccc(-c3cccc([N+](=O)[O-])c3)o2)CC1 ZINC000343112924 254101783 /nfs/dbraw/zinc/10/17/83/254101783.db2.gz WRKHSTIKIIGXJN-UHFFFAOYSA-N 1 1 315.373 3.039 20 5 DGBDMO CC[N@@H+](CCn1cc([N+](=O)[O-])cn1)Cc1ccc(Cl)s1 ZINC000157410053 197185769 /nfs/dbraw/zinc/18/57/69/197185769.db2.gz JNWVSNGFLFMJES-UHFFFAOYSA-N 1 1 314.798 3.028 20 5 DGBDMO CC[C@@H](C)C[N@@H+](CC)CCC(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000343711417 254180440 /nfs/dbraw/zinc/18/04/40/254180440.db2.gz NRVYHCHRTLTAFL-CYBMUJFWSA-N 1 1 307.394 3.291 20 5 DGBDMO CC[C@@H]1CCC[N@@H+](CCC(=O)Nc2ccc([N+](=O)[O-])cc2)CC1 ZINC000343939764 254204813 /nfs/dbraw/zinc/20/48/13/254204813.db2.gz VDMQUTYQYZLGHY-CQSZACIVSA-N 1 1 319.405 3.436 20 5 DGBDMO C[C@@H](C(=O)Nc1cccc([N+](=O)[O-])c1)[N@@H+](C)C[C@@H]1CC=CCC1 ZINC000344032906 254216286 /nfs/dbraw/zinc/21/62/86/254216286.db2.gz FDONCBYYWKMERV-UONOGXRCSA-N 1 1 317.389 3.210 20 5 DGBDMO CC[C@@]1(C)CC[N@H+]([C@H](C)C(=O)Nc2cccc([N+](=O)[O-])c2C)C1 ZINC000344212475 254239587 /nfs/dbraw/zinc/23/95/87/254239587.db2.gz DEPDBFBOBQNTPC-DYVFJYSZSA-N 1 1 319.405 3.352 20 5 DGBDMO C[C@@H](c1ccccc1[N+](=O)[O-])[N@@H+](C)CCC(=O)OC(C)(C)C ZINC000344210043 254240070 /nfs/dbraw/zinc/24/00/70/254240070.db2.gz CZDNHCXLMUJICO-LBPRGKRZSA-N 1 1 308.378 3.319 20 5 DGBDMO CCCN1CCC([NH2+][C@H](C)c2ccc(C)c([N+](=O)[O-])c2)CC1 ZINC000120710153 195221603 /nfs/dbraw/zinc/22/16/03/195221603.db2.gz BPPZXLIVMOGZTH-CQSZACIVSA-N 1 1 305.422 3.428 20 5 DGBDMO C[C@H](CO)[N@@H+](C)Cc1ccc(-c2ccc([N+](=O)[O-])cc2)s1 ZINC000289519461 221037640 /nfs/dbraw/zinc/03/76/40/221037640.db2.gz VGGXBZUYHAYDOK-LLVKDONJSA-N 1 1 306.387 3.136 20 5 DGBDMO COCCC[N@@H+](Cc1ccncc1)Cc1cccc([N+](=O)[O-])c1 ZINC000289556665 221064123 /nfs/dbraw/zinc/06/41/23/221064123.db2.gz YDVURVREEJJAFF-UHFFFAOYSA-N 1 1 315.373 3.029 20 5 DGBDMO C/C(=C/c1cccc([N+](=O)[O-])c1)C[NH2+][C@@H]1CCN(C)[C@@H](C)C1 ZINC000468650668 533384889 /nfs/dbraw/zinc/38/48/89/533384889.db2.gz VFKCSVCJGLXUJR-ZMTKHRCCSA-N 1 1 303.406 3.070 20 5 DGBDMO C/C(=C\c1cccc([N+](=O)[O-])c1)C[N@H+](C)[C@@H]1CCCC[C@H]1O ZINC000470200357 533406910 /nfs/dbraw/zinc/40/69/10/533406910.db2.gz AQNQBWYILZIVCB-WCEBEWAISA-N 1 1 304.390 3.233 20 5 DGBDMO Cc1ccc2nc(C[NH2+][C@@H](C)c3ccc([N+](=O)[O-])cc3)cn2c1 ZINC000356984608 285590566 /nfs/dbraw/zinc/59/05/66/285590566.db2.gz SPKQTSSZRRKHQE-ZDUSSCGKSA-N 1 1 310.357 3.402 20 5 DGBDMO Cc1ccc([C@H](C)N[C@H]2CC[N@H+](C(C)(C)C)C2)cc1[N+](=O)[O-] ZINC000595056367 400092760 /nfs/dbraw/zinc/09/27/60/400092760.db2.gz FRPVHNOOGVFYKY-ZFWWWQNUSA-N 1 1 305.422 3.427 20 5 DGBDMO Cc1ccc([C@H](C)[NH2+][C@H]2CCN(C(C)(C)C)C2)cc1[N+](=O)[O-] ZINC000595056367 400092763 /nfs/dbraw/zinc/09/27/63/400092763.db2.gz FRPVHNOOGVFYKY-ZFWWWQNUSA-N 1 1 305.422 3.427 20 5 DGBDMO Cn1ccnc1[C@@H]([NH2+]CCC(C)(C)F)c1cccc([N+](=O)[O-])c1 ZINC000595088413 400101498 /nfs/dbraw/zinc/10/14/98/400101498.db2.gz QUAGRRAIKLGDQZ-AWEZNQCLSA-N 1 1 320.368 3.146 20 5 DGBDMO C[C@H]([NH2+][C@@H]1CCCc2ccc([N+](=O)[O-])cc21)c1nccn1C ZINC000595109968 400109269 /nfs/dbraw/zinc/10/92/69/400109269.db2.gz XSTDKNPZUHVEBZ-XHDPSFHLSA-N 1 1 300.362 3.057 20 5 DGBDMO O=[N+]([O-])c1ccc(OCCC[N@H+]2CC[C@@H](c3ccco3)C2)cc1 ZINC000609539871 400174648 /nfs/dbraw/zinc/17/46/48/400174648.db2.gz GEOLYOXLQXPLOQ-CQSZACIVSA-N 1 1 316.357 3.446 20 5 DGBDMO CO[C@H]1C[C@H]([N@@H+](C)Cc2ccc(F)cc2[N+](=O)[O-])C12CCC2 ZINC000595519504 400175338 /nfs/dbraw/zinc/17/53/38/400175338.db2.gz KSPOHXMMDIMGHP-GJZGRUSLSA-N 1 1 308.353 3.123 20 5 DGBDMO CC1(C)C[C@@H]([N@H+]2CCC[C@H](c3ccc([N+](=O)[O-])cc3)C2)CO1 ZINC000595525241 400178155 /nfs/dbraw/zinc/17/81/55/400178155.db2.gz QDVWJXHOUHKTIJ-GOEBONIOSA-N 1 1 304.390 3.342 20 5 DGBDMO O=[N+]([O-])c1cccc(-c2noc(C[N@@H+]3C[C@@H]4CCCC[C@@H]43)n2)c1 ZINC000595562450 400188820 /nfs/dbraw/zinc/18/88/20/400188820.db2.gz NPZYAAYRRJHLIH-JSGCOSHPSA-N 1 1 314.345 3.019 20 5 DGBDMO O=[N+]([O-])c1cccc(-c2noc(C[N@H+]3C[C@@H]4CCCC[C@@H]43)n2)c1 ZINC000595562450 400188823 /nfs/dbraw/zinc/18/88/23/400188823.db2.gz NPZYAAYRRJHLIH-JSGCOSHPSA-N 1 1 314.345 3.019 20 5 DGBDMO O=[N+]([O-])c1cc(F)ccc1C[N@@H+]1C[C@@H](O)C[C@@H]1c1ccccc1 ZINC000595536589 400179327 /nfs/dbraw/zinc/17/93/27/400179327.db2.gz ZZKJJFOLOGPEJY-JKSUJKDBSA-N 1 1 316.332 3.042 20 5 DGBDMO O=[N+]([O-])c1cc(F)ccc1C[N@H+]1C[C@@H](O)C[C@@H]1c1ccccc1 ZINC000595536589 400179335 /nfs/dbraw/zinc/17/93/35/400179335.db2.gz ZZKJJFOLOGPEJY-JKSUJKDBSA-N 1 1 316.332 3.042 20 5 DGBDMO O=[N+]([O-])c1ccccc1C[N@@H+]1CCC[C@@H](OCC(F)(F)F)C1 ZINC000608781913 400119578 /nfs/dbraw/zinc/11/95/78/400119578.db2.gz DENAAGCVBMNWSS-GFCCVEGCSA-N 1 1 318.295 3.138 20 5 DGBDMO O=[N+]([O-])c1ccccc1C[N@H+]1CCC[C@@H](OCC(F)(F)F)C1 ZINC000608781913 400119584 /nfs/dbraw/zinc/11/95/84/400119584.db2.gz DENAAGCVBMNWSS-GFCCVEGCSA-N 1 1 318.295 3.138 20 5 DGBDMO O=[N+]([O-])c1ccc(N[C@H]2CC[N@@H+](CCCC3CCC3)C2)nc1 ZINC000595370915 400134866 /nfs/dbraw/zinc/13/48/66/400134866.db2.gz LVFFGMSPYXYOSJ-AWEZNQCLSA-N 1 1 304.394 3.056 20 5 DGBDMO CN(C)c1cccc(C[N@H+](C)Cc2ccc(F)cc2[N+](=O)[O-])c1 ZINC000595396069 400139679 /nfs/dbraw/zinc/13/96/79/400139679.db2.gz XCLYKQPEVHNMRS-UHFFFAOYSA-N 1 1 317.364 3.432 20 5 DGBDMO CN(C)c1cccc(C[N@@H+](C)Cc2ccc(F)cc2[N+](=O)[O-])c1 ZINC000595396069 400139684 /nfs/dbraw/zinc/13/96/84/400139684.db2.gz XCLYKQPEVHNMRS-UHFFFAOYSA-N 1 1 317.364 3.432 20 5 DGBDMO Cc1noc(C[NH2+][C@H](c2ccccc2C)C2CC2)c1[N+](=O)[O-] ZINC000595423161 400144186 /nfs/dbraw/zinc/14/41/86/400144186.db2.gz MHFVRNOYSLLHRB-HNNXBMFYSA-N 1 1 301.346 3.441 20 5 DGBDMO CC[C@@H]([NH2+]Cc1ccc(F)cc1[N+](=O)[O-])c1c(C)nn(C)c1C ZINC000595433743 400149182 /nfs/dbraw/zinc/14/91/82/400149182.db2.gz ZZKYQGWISDYQBZ-CQSZACIVSA-N 1 1 320.368 3.325 20 5 DGBDMO O=[N+]([O-])c1ccccc1/C=C/C[N@H+]1CCC[C@@H](c2ncc[nH]2)C1 ZINC000092071711 400151622 /nfs/dbraw/zinc/15/16/22/400151622.db2.gz NILRWRHVABHAKL-YFCVBGDOSA-N 1 1 312.373 3.211 20 5 DGBDMO COc1cccc(C[NH2+]Cc2cccc([N+](=O)[O-])c2C)c1F ZINC000318054126 400156386 /nfs/dbraw/zinc/15/63/86/400156386.db2.gz OYXKNEBTZRCORR-UHFFFAOYSA-N 1 1 304.321 3.341 20 5 DGBDMO CCOC1CC2(C1)CC[N@@H+](Cc1ccc(F)cc1[N+](=O)[O-])C2 ZINC000595485273 400165542 /nfs/dbraw/zinc/16/55/42/400165542.db2.gz XHMACDBCBCDDHZ-UHFFFAOYSA-N 1 1 308.353 3.125 20 5 DGBDMO Cc1cc([C@H]2CCC[N@@H+]2CCOc2ccc([N+](=O)[O-])cc2)no1 ZINC000067386841 400166926 /nfs/dbraw/zinc/16/69/26/400166926.db2.gz BLTJVGZWMCNIRR-MRXNPFEDSA-N 1 1 317.345 3.107 20 5 DGBDMO Cc1cc([C@H]2CCC[N@H+]2CCOc2ccc([N+](=O)[O-])cc2)no1 ZINC000067386841 400166934 /nfs/dbraw/zinc/16/69/34/400166934.db2.gz BLTJVGZWMCNIRR-MRXNPFEDSA-N 1 1 317.345 3.107 20 5 DGBDMO C[C@@H](O)C[C@@H]1CCCCC[N@H+]1Cc1ccc(F)cc1[N+](=O)[O-] ZINC000595494369 400167898 /nfs/dbraw/zinc/16/78/98/400167898.db2.gz XVRLMQBWSRPPDK-DOMZBBRYSA-N 1 1 310.369 3.249 20 5 DGBDMO O=[N+]([O-])c1ccc2[nH]c(C[NH+]3CCC(C4CCC4)CC3)nc2c1 ZINC000595659478 400221021 /nfs/dbraw/zinc/22/10/21/400221021.db2.gz NGJVRUDDSWKWTA-UHFFFAOYSA-N 1 1 314.389 3.483 20 5 DGBDMO COC[C@H]([NH2+]Cc1ccccc1[N+](=O)[O-])c1cccc(OC)c1 ZINC000595685656 400225560 /nfs/dbraw/zinc/22/55/60/400225560.db2.gz YFEKIPNMCGQHRY-INIZCTEOSA-N 1 1 316.357 3.081 20 5 DGBDMO COC(=O)C(C)(C)[C@@H]1CCC[N@@H+](Cc2ccc([N+](=O)[O-])cc2)C1 ZINC000093282792 400236438 /nfs/dbraw/zinc/23/64/38/400236438.db2.gz JKCDZVOYDOOSFT-CQSZACIVSA-N 1 1 320.389 3.006 20 5 DGBDMO O=[N+]([O-])c1ccc2nccc(N3CCC[C@H](c4[nH]cc[nH+]4)C3)c2c1 ZINC000601110692 400236631 /nfs/dbraw/zinc/23/66/31/400236631.db2.gz KOWCOLVYTQUSHV-LBPRGKRZSA-N 1 1 323.356 3.250 20 5 DGBDMO O=[N+]([O-])c1ccc2[nH+]ccc(N3CCC[C@H](c4ncc[nH]4)C3)c2c1 ZINC000601110692 400236634 /nfs/dbraw/zinc/23/66/34/400236634.db2.gz KOWCOLVYTQUSHV-LBPRGKRZSA-N 1 1 323.356 3.250 20 5 DGBDMO C[C@H]1CCC[N@@H+](Cc2ccc([N+](=O)[O-])cc2Cl)[C@@H]1CCO ZINC000595706961 400237252 /nfs/dbraw/zinc/23/72/52/400237252.db2.gz ZPSBYBOXPISHGD-XHDPSFHLSA-N 1 1 312.797 3.231 20 5 DGBDMO CC[C@@]1(CO)CCCN(c2cc[nH+]c3ccc([N+](=O)[O-])cc32)C1 ZINC000601149718 400249266 /nfs/dbraw/zinc/24/92/66/400249266.db2.gz QKQJXMMYBIWEMM-QGZVFWFLSA-N 1 1 315.373 3.132 20 5 DGBDMO Cc1ccc([N+](=O)[O-])cc1[C@@H](C)[N@H+]1CCC[C@@](O)(C2CC2)C1 ZINC000595752666 400249707 /nfs/dbraw/zinc/24/97/07/400249707.db2.gz VEFOHOJTFNQYTL-DYVFJYSZSA-N 1 1 304.390 3.201 20 5 DGBDMO CC[C@@H](C)[N@@H+](CC)CC(=O)Nc1ccc(Cl)cc1[N+](=O)[O-] ZINC000595593067 400197401 /nfs/dbraw/zinc/19/74/01/400197401.db2.gz MXEISXYGIFQPMS-SNVBAGLBSA-N 1 1 313.785 3.307 20 5 DGBDMO CC[C@H](C)[N@@H+](CC)CCCn1c(=O)oc2ccc([N+](=O)[O-])cc21 ZINC000595602576 400200286 /nfs/dbraw/zinc/20/02/86/400200286.db2.gz XKPVHSOHYQFGOE-LBPRGKRZSA-N 1 1 321.377 3.013 20 5 DGBDMO Cc1cccc(C[N@H+]2CC[C@H](Nc3ncc([N+](=O)[O-])s3)C2)c1 ZINC000601239458 400271510 /nfs/dbraw/zinc/27/15/10/400271510.db2.gz LDFADUYFICMQCM-ZDUSSCGKSA-N 1 1 318.402 3.046 20 5 DGBDMO CCOC1CC([N@@H+](C)C/C(C)=C/c2cccc([N+](=O)[O-])c2)C1 ZINC000589209181 400276687 /nfs/dbraw/zinc/27/66/87/400276687.db2.gz LXAMMUCNIJLOGN-MDWZMJQESA-N 1 1 304.390 3.497 20 5 DGBDMO CC1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1nc2cc([N+](=O)[O-])ccc2o1 ZINC000595858269 400281757 /nfs/dbraw/zinc/28/17/57/400281757.db2.gz VEOKZFCDKLTNIA-YOGCLGLASA-N 1 1 301.346 3.499 20 5 DGBDMO CCC[N@@H+](C)CC(C)(C)NCc1ccc([N+](=O)[O-])c(OCC)c1 ZINC000595870398 400283543 /nfs/dbraw/zinc/28/35/43/400283543.db2.gz BLNSYHUZISISJD-UHFFFAOYSA-N 1 1 323.437 3.204 20 5 DGBDMO CCCN(C)CC(C)(C)[NH2+]Cc1ccc([N+](=O)[O-])c(OCC)c1 ZINC000595870398 400283547 /nfs/dbraw/zinc/28/35/47/400283547.db2.gz BLNSYHUZISISJD-UHFFFAOYSA-N 1 1 323.437 3.204 20 5 DGBDMO C[C@@H](c1nnc(-c2ccc([N+](=O)[O-])cc2)o1)[N@H+]1CC2CC1(C)C2 ZINC000595914562 400293365 /nfs/dbraw/zinc/29/33/65/400293365.db2.gz CFZPFJFGCDDETC-SGWRBKMISA-N 1 1 314.345 3.190 20 5 DGBDMO Cc1cnn([C@@H]2CC[N@@H+](C/C=C\c3ccccc3[N+](=O)[O-])C2)c1 ZINC000589521521 400304100 /nfs/dbraw/zinc/30/41/00/400304100.db2.gz DWUXUOXUFGJKNP-DQOPKJQZSA-N 1 1 312.373 3.060 20 5 DGBDMO Cc1ccc([N+](=O)[O-])cc1[C@H](C)N[C@@H]1CC[N@H+]2CCC[C@@H]2C1 ZINC000610799553 400308195 /nfs/dbraw/zinc/30/81/95/400308195.db2.gz SNOBLQNFTQVUEV-RRFJBIMHSA-N 1 1 303.406 3.181 20 5 DGBDMO C[N@@H+](CCCOc1ccc([N+](=O)[O-])cc1)CCOC(C)(C)C ZINC000610859602 400314953 /nfs/dbraw/zinc/31/49/53/400314953.db2.gz ATNCOKBMACBBLW-UHFFFAOYSA-N 1 1 310.394 3.111 20 5 DGBDMO CCOc1ccc([N+](=O)[O-])cc1C[N@H+](C)CCOC(C)(C)C ZINC000610859611 400315606 /nfs/dbraw/zinc/31/56/06/400315606.db2.gz BNKHPRKBBPNIAR-UHFFFAOYSA-N 1 1 310.394 3.240 20 5 DGBDMO CCOc1ccc([N+](=O)[O-])cc1C[N@@H+](C)CCOC(C)(C)C ZINC000610859611 400315610 /nfs/dbraw/zinc/31/56/10/400315610.db2.gz BNKHPRKBBPNIAR-UHFFFAOYSA-N 1 1 310.394 3.240 20 5 DGBDMO O=[N+]([O-])c1ccccc1C[N@H+]1CCC[C@@H]([C@@H]2CCCCO2)C1 ZINC000595784534 400258123 /nfs/dbraw/zinc/25/81/23/400258123.db2.gz AZUAFKRUOUCTOT-WBVHZDCISA-N 1 1 304.390 3.376 20 5 DGBDMO CC[C@@H]1C[N@@H+](C)CCCN1c1nc2ccccc2cc1[N+](=O)[O-] ZINC000601188006 400258687 /nfs/dbraw/zinc/25/86/87/400258687.db2.gz APFHVMUFUHSGIB-CQSZACIVSA-N 1 1 314.389 3.064 20 5 DGBDMO CC(C)(C)[N@H+]1CCCN(Cc2ccc([N+](=O)[O-])cc2F)CC1 ZINC000610476275 400260894 /nfs/dbraw/zinc/26/08/94/400260894.db2.gz CKFZIGRAEYQBQZ-UHFFFAOYSA-N 1 1 309.385 3.040 20 5 DGBDMO O=[N+]([O-])c1ccc(C[N@H+]2CCC[C@H]([C@H]3CCCCO3)C2)cc1 ZINC000595789795 400260989 /nfs/dbraw/zinc/26/09/89/400260989.db2.gz OKQYKUFFVRSAKL-DOTOQJQBSA-N 1 1 304.390 3.376 20 5 DGBDMO CC[N@@H+](CCNc1sccc1[N+](=O)[O-])CCC(F)(F)F ZINC000617210297 400330630 /nfs/dbraw/zinc/33/06/30/400330630.db2.gz UVMCHUKMECRMGG-UHFFFAOYSA-N 1 1 311.329 3.343 20 5 DGBDMO COCC1([N@@H+](C)Cc2cc([N+](=O)[O-])ccc2C(F)(F)F)CC1 ZINC000590169319 400366448 /nfs/dbraw/zinc/36/64/48/400366448.db2.gz NVMFKJVJMYWLOC-UHFFFAOYSA-N 1 1 318.295 3.224 20 5 DGBDMO CC[N@H+]1CCCN(c2ccc([N+](=O)[O-])c3cnccc32)[C@H](C)C1 ZINC000596267994 400366978 /nfs/dbraw/zinc/36/69/78/400366978.db2.gz BDKSAVGSLDFYDO-CYBMUJFWSA-N 1 1 314.389 3.064 20 5 DGBDMO O=[N+]([O-])c1ccccc1/C=C/C[N@@H+]1CCc2ccc(O)cc2CC1 ZINC000611266571 400368728 /nfs/dbraw/zinc/36/87/28/400368728.db2.gz AHMXLIUIXWHMEX-HWKANZROSA-N 1 1 324.380 3.414 20 5 DGBDMO C[N@@H+](Cc1cn[nH]c1)Cc1ccc(-c2ccccc2[N+](=O)[O-])o1 ZINC000611271954 400371165 /nfs/dbraw/zinc/37/11/65/400371165.db2.gz VVDYHUZUJPKIOY-UHFFFAOYSA-N 1 1 312.329 3.210 20 5 DGBDMO C[N@H+](Cc1cn[nH]c1)Cc1ccc(-c2ccccc2[N+](=O)[O-])o1 ZINC000611271954 400371170 /nfs/dbraw/zinc/37/11/70/400371170.db2.gz VVDYHUZUJPKIOY-UHFFFAOYSA-N 1 1 312.329 3.210 20 5 DGBDMO CC[C@H]1C[C@@H](C)C[N@H+]1CCC(=O)Nc1cccc([N+](=O)[O-])c1C ZINC000072698161 400398460 /nfs/dbraw/zinc/39/84/60/400398460.db2.gz HIALTNODXMIOSE-OCCSQVGLSA-N 1 1 319.405 3.352 20 5 DGBDMO CCC[N@@H+](CCn1c(C)ncc1[N+](=O)[O-])Cc1ccc(C)cc1 ZINC000611565558 400422437 /nfs/dbraw/zinc/42/24/37/400422437.db2.gz YJMUQROXNYTZNE-UHFFFAOYSA-N 1 1 316.405 3.320 20 5 DGBDMO CC1(C)C[N@H+](Cc2ccc(Cl)cc2[N+](=O)[O-])[C@@H]2COC[C@@H]21 ZINC000590765910 400430704 /nfs/dbraw/zinc/43/07/04/400430704.db2.gz VKVBBSQINIBIKR-GXTWGEPZSA-N 1 1 310.781 3.105 20 5 DGBDMO CC1(C)C[N@@H+](Cc2ccc(Cl)cc2[N+](=O)[O-])[C@@H]2COC[C@@H]21 ZINC000590765910 400430710 /nfs/dbraw/zinc/43/07/10/400430710.db2.gz VKVBBSQINIBIKR-GXTWGEPZSA-N 1 1 310.781 3.105 20 5 DGBDMO CCC[N@@H+](C)CC(C)(C)Nc1ccc(C(C)=O)cc1[N+](=O)[O-] ZINC000596541636 400439942 /nfs/dbraw/zinc/43/99/42/400439942.db2.gz IERPOIWUQBXWDB-UHFFFAOYSA-N 1 1 307.394 3.330 20 5 DGBDMO CCC[N@@H+](C)CC(C)(C)Nc1ncc([N+](=O)[O-])cc1Cl ZINC000596543353 400441175 /nfs/dbraw/zinc/44/11/75/400441175.db2.gz SAJAFMSJVPMEJX-UHFFFAOYSA-N 1 1 300.790 3.176 20 5 DGBDMO Cc1cc(C[NH2+][C@H]2CCCCc3ccc([N+](=O)[O-])cc32)ncn1 ZINC000591348314 400513641 /nfs/dbraw/zinc/51/36/41/400513641.db2.gz QDPUZUQKEGTTIY-KRWDZBQOSA-N 1 1 312.373 3.251 20 5 DGBDMO O=[N+]([O-])c1cc(C[N@@H+](CCO)[C@H]2CCc3ccccc32)cs1 ZINC000074311693 400503275 /nfs/dbraw/zinc/50/32/75/400503275.db2.gz DUVRIIUQOBSCQL-HNNXBMFYSA-N 1 1 318.398 3.138 20 5 DGBDMO O=[N+]([O-])c1cc(C[N@H+](CCO)[C@H]2CCc3ccccc32)cs1 ZINC000074311693 400503277 /nfs/dbraw/zinc/50/32/77/400503277.db2.gz DUVRIIUQOBSCQL-HNNXBMFYSA-N 1 1 318.398 3.138 20 5 DGBDMO C[C@H]1C[N@H+](Cc2ccc(C(F)(F)F)cc2[N+](=O)[O-])CCCO1 ZINC000602459399 400468088 /nfs/dbraw/zinc/46/80/88/400468088.db2.gz OPIVXTADCLJCLJ-JTQLQIEISA-N 1 1 318.295 3.224 20 5 DGBDMO C[C@H]1C[N@@H+](Cc2ccc(C(F)(F)F)cc2[N+](=O)[O-])CCCO1 ZINC000602459399 400468093 /nfs/dbraw/zinc/46/80/93/400468093.db2.gz OPIVXTADCLJCLJ-JTQLQIEISA-N 1 1 318.295 3.224 20 5 DGBDMO C/C(=C\c1cccc([N+](=O)[O-])c1)C[N@H+]1CCC[C@@H]2COC[C@@H]21 ZINC000590972160 400471709 /nfs/dbraw/zinc/47/17/09/400471709.db2.gz MKYPGXPKQNCACV-UJEYXKBXSA-N 1 1 302.374 3.109 20 5 DGBDMO C[N@H+](Cc1ccc(C(F)(F)F)cc1[N+](=O)[O-])C[C@@H]1CCOC1 ZINC000602484462 400475796 /nfs/dbraw/zinc/47/57/96/400475796.db2.gz NAOZFAUKAUZYOC-JTQLQIEISA-N 1 1 318.295 3.082 20 5 DGBDMO COc1cc(C[N@H+]2CC[C@@H](C3CCC3)C2)c([N+](=O)[O-])cc1F ZINC000591062921 400480939 /nfs/dbraw/zinc/48/09/39/400480939.db2.gz BLUSZWVCQYBBHM-GFCCVEGCSA-N 1 1 308.353 3.365 20 5 DGBDMO Cc1ncc([N+](=O)[O-])n1CC[N@H+]1CCCCC[C@H]1c1ccco1 ZINC000602783505 400572487 /nfs/dbraw/zinc/57/24/87/400572487.db2.gz ZXBCNYXPQHZIDN-AWEZNQCLSA-N 1 1 318.377 3.310 20 5 DGBDMO C[C@H]1CCSCC[N@H+]1Cc1nc2cc([N+](=O)[O-])ccc2o1 ZINC000602629456 400516841 /nfs/dbraw/zinc/51/68/41/400516841.db2.gz HLXCDOJPVRWAOL-JTQLQIEISA-N 1 1 307.375 3.063 20 5 DGBDMO C[N@H+](Cc1ccc(C(F)(F)F)cc1[N+](=O)[O-])[C@H]1CCCOC1 ZINC000602661708 400528625 /nfs/dbraw/zinc/52/86/25/400528625.db2.gz KFKHPDCPNQWAOR-LBPRGKRZSA-N 1 1 318.295 3.224 20 5 DGBDMO C[N@@H+](Cc1ccc(C(F)(F)F)cc1[N+](=O)[O-])[C@H]1CCCOC1 ZINC000602661708 400528628 /nfs/dbraw/zinc/52/86/28/400528628.db2.gz KFKHPDCPNQWAOR-LBPRGKRZSA-N 1 1 318.295 3.224 20 5 DGBDMO COc1ccccc1C[N@@H+](C)CCOc1cccc([N+](=O)[O-])c1 ZINC000046055462 400546856 /nfs/dbraw/zinc/54/68/56/400546856.db2.gz JXVVBBYUKVKVCH-UHFFFAOYSA-N 1 1 316.357 3.114 20 5 DGBDMO CC[N@H+](Cc1nc(-c2cccc([N+](=O)[O-])c2)no1)CC(C)C ZINC000046064673 400548033 /nfs/dbraw/zinc/54/80/33/400548033.db2.gz HVTCOTASKKOUFS-UHFFFAOYSA-N 1 1 304.350 3.123 20 5 DGBDMO C[C@@H]1CC2(CN1Cc1ccc(Cl)cc1[N+](=O)[O-])CC[NH2+]CC2 ZINC000591658929 400549131 /nfs/dbraw/zinc/54/91/31/400549131.db2.gz NERUIIXHZAUGCS-GFCCVEGCSA-N 1 1 323.824 3.212 20 5 DGBDMO Cc1ncc([N+](=O)[O-])n1CC[N@@H+](C)[C@@H](C)c1cc(F)ccc1F ZINC000602767244 400567145 /nfs/dbraw/zinc/56/71/45/400567145.db2.gz STZZRTTZKQOGPO-JTQLQIEISA-N 1 1 324.331 3.071 20 5 DGBDMO Cc1ncc([N+](=O)[O-])n1CC[N@H+](C)[C@@H](C)c1cc(F)ccc1F ZINC000602767244 400567151 /nfs/dbraw/zinc/56/71/51/400567151.db2.gz STZZRTTZKQOGPO-JTQLQIEISA-N 1 1 324.331 3.071 20 5 DGBDMO Cc1ncc([N+](=O)[O-])n1CC[N@@H+](C)[C@H](C)c1cc(F)ccc1F ZINC000602767245 400567375 /nfs/dbraw/zinc/56/73/75/400567375.db2.gz STZZRTTZKQOGPO-SNVBAGLBSA-N 1 1 324.331 3.071 20 5 DGBDMO Cc1ncc([N+](=O)[O-])n1CC[N@H+](C)[C@H](C)c1cc(F)ccc1F ZINC000602767245 400567376 /nfs/dbraw/zinc/56/73/76/400567376.db2.gz STZZRTTZKQOGPO-SNVBAGLBSA-N 1 1 324.331 3.071 20 5 DGBDMO Cc1c(C[NH2+][C@H](CCO)c2ccccc2F)cccc1[N+](=O)[O-] ZINC000592159763 400616995 /nfs/dbraw/zinc/61/69/95/400616995.db2.gz FVIIGOJLLQVYGA-MRXNPFEDSA-N 1 1 318.348 3.256 20 5 DGBDMO CC(C)[C@H]1CCC[N@H+]1Cc1nc(-c2ccc([N+](=O)[O-])cc2)no1 ZINC000140543014 400619286 /nfs/dbraw/zinc/61/92/86/400619286.db2.gz QKYSJSAFAOIOIH-CQSZACIVSA-N 1 1 316.361 3.265 20 5 DGBDMO Cc1c[nH+]ccc1OC1CCN(c2sccc2[N+](=O)[O-])CC1 ZINC000618586880 400632835 /nfs/dbraw/zinc/63/28/35/400632835.db2.gz VMODDRONJBBHQQ-UHFFFAOYSA-N 1 1 319.386 3.408 20 5 DGBDMO Cc1ccc(C[NH2+]Cc2nn(C)c3ccccc23)cc1[N+](=O)[O-] ZINC000612692028 400587731 /nfs/dbraw/zinc/58/77/31/400587731.db2.gz FZMJMEBDDVAGNO-UHFFFAOYSA-N 1 1 310.357 3.080 20 5 DGBDMO O=[N+]([O-])c1cccc(-c2ccc(C[N@H+]3CCC4(COC4)C3)o2)c1 ZINC000597228606 400592525 /nfs/dbraw/zinc/59/25/25/400592525.db2.gz DWIZOKZKXUZYTC-UHFFFAOYSA-N 1 1 314.341 3.077 20 5 DGBDMO Cc1noc([C@H]2CCC[N@H+]([C@@H](C)c3ccccc3[N+](=O)[O-])C2)n1 ZINC000075646004 400600738 /nfs/dbraw/zinc/60/07/38/400600738.db2.gz IJAWPLVVCBZXKY-AAEUAGOBSA-N 1 1 316.361 3.227 20 5 DGBDMO C[N@@H+](Cc1ccc(-c2ccc([N+](=O)[O-])cc2)o1)C1(CO)CCC1 ZINC000597256420 400601814 /nfs/dbraw/zinc/60/18/14/400601814.db2.gz WBRQIGLRLKTXOJ-UHFFFAOYSA-N 1 1 316.357 3.202 20 5 DGBDMO O=[N+]([O-])c1cccc(F)c1C[N@H+]1CCC[C@H]1[C@H]1CCCOC1 ZINC000592134927 400610802 /nfs/dbraw/zinc/61/08/02/400610802.db2.gz UELVXMMDUBUTKT-WFASDCNBSA-N 1 1 308.353 3.125 20 5 DGBDMO C[C@@H]([NH3+])C[C@H](C)NCc1ccc(-c2cccc([N+](=O)[O-])c2)o1 ZINC000592438257 400649528 /nfs/dbraw/zinc/64/95/28/400649528.db2.gz IAPATTBNGLNQEY-NEPJUHHUSA-N 1 1 303.362 3.070 20 5 DGBDMO Cc1ccc([C@@H](C)N[C@@H]2CC[N@H+](CC3CC3)C2)cc1[N+](=O)[O-] ZINC000157689799 400718370 /nfs/dbraw/zinc/71/83/70/400718370.db2.gz USRHMYBCZQTPBJ-CZUORRHYSA-N 1 1 303.406 3.038 20 5 DGBDMO Cc1ccc([C@@H](C)N[C@@H]2CC[N@@H+](CC3CC3)C2)cc1[N+](=O)[O-] ZINC000157689799 400718376 /nfs/dbraw/zinc/71/83/76/400718376.db2.gz USRHMYBCZQTPBJ-CZUORRHYSA-N 1 1 303.406 3.038 20 5 DGBDMO Cc1nccc([C@@H]2CCC[N@@H+](Cc3ccccc3[N+](=O)[O-])C2)n1 ZINC000603834424 400720833 /nfs/dbraw/zinc/72/08/33/400720833.db2.gz SYIJMIZKWWDKAB-CQSZACIVSA-N 1 1 312.373 3.073 20 5 DGBDMO C[N@@H+](CCOc1ccccc1)CCc1ccc([N+](=O)[O-])cc1 ZINC000603839312 400721930 /nfs/dbraw/zinc/72/19/30/400721930.db2.gz OFTLCNYVYXIADQ-UHFFFAOYSA-N 1 1 300.358 3.148 20 5 DGBDMO CC(C)[N@@H+](CCOc1ccccc1[N+](=O)[O-])Cc1ccccn1 ZINC000052218697 400723206 /nfs/dbraw/zinc/72/32/06/400723206.db2.gz KBZLBBDCXSVSAP-UHFFFAOYSA-N 1 1 315.373 3.279 20 5 DGBDMO CC(C)[N@@H+](CCOc1cccc([N+](=O)[O-])c1)Cc1ccccn1 ZINC000052218470 400723283 /nfs/dbraw/zinc/72/32/83/400723283.db2.gz HSBIDWUOMWTNRO-UHFFFAOYSA-N 1 1 315.373 3.279 20 5 DGBDMO CC(C)[N@@H+](C)Cc1ccccc1CNc1cccnc1[N+](=O)[O-] ZINC000603859403 400725782 /nfs/dbraw/zinc/72/57/82/400725782.db2.gz PQVBNPKOJYKVJV-UHFFFAOYSA-N 1 1 314.389 3.442 20 5 DGBDMO O=[N+]([O-])c1ccc(C[N@@H+]2CCO[C@@]3(CCc4ccccc43)C2)cc1 ZINC000158754603 400726813 /nfs/dbraw/zinc/72/68/13/400726813.db2.gz ZWCFDKAWPPYPAJ-IBGZPJMESA-N 1 1 324.380 3.269 20 5 DGBDMO O=[N+]([O-])c1ccc(C[N@H+]2CCO[C@@]3(CCc4ccccc43)C2)cc1 ZINC000158754603 400726818 /nfs/dbraw/zinc/72/68/18/400726818.db2.gz ZWCFDKAWPPYPAJ-IBGZPJMESA-N 1 1 324.380 3.269 20 5 DGBDMO Cc1cccc([N+](=O)[O-])c1NC(=O)C[N@H+](C)[C@H](C)C(C)(C)C ZINC000164541973 400750251 /nfs/dbraw/zinc/75/02/51/400750251.db2.gz IODAONKHYMXUPS-GFCCVEGCSA-N 1 1 307.394 3.208 20 5 DGBDMO COc1ccccc1C[N@H+](C)Cc1ccc(OC)c([N+](=O)[O-])c1 ZINC000051372042 400700232 /nfs/dbraw/zinc/70/02/32/400700232.db2.gz YZJSINNLXHBRDB-UHFFFAOYSA-N 1 1 316.357 3.244 20 5 DGBDMO COc1ccccc1C[N@@H+](C)Cc1ccc(OC)c([N+](=O)[O-])c1 ZINC000051372042 400700236 /nfs/dbraw/zinc/70/02/36/400700236.db2.gz YZJSINNLXHBRDB-UHFFFAOYSA-N 1 1 316.357 3.244 20 5 DGBDMO COc1cccc(C[N@@H+](C)CCOc2ccccc2[N+](=O)[O-])c1 ZINC000051325295 400700356 /nfs/dbraw/zinc/70/03/56/400700356.db2.gz KAYWDBBDZHVMAI-UHFFFAOYSA-N 1 1 316.357 3.114 20 5 DGBDMO Cc1cc([C@H]2CCC[N@H+]2CCOc2cccc([N+](=O)[O-])c2)on1 ZINC000052010384 400712963 /nfs/dbraw/zinc/71/29/63/400712963.db2.gz FGNKQIHXBJJHRN-OAHLLOKOSA-N 1 1 317.345 3.107 20 5 DGBDMO Cc1cc([C@H]2CCC[N@H+]2CCOc2ccccc2[N+](=O)[O-])on1 ZINC000052011390 400714089 /nfs/dbraw/zinc/71/40/89/400714089.db2.gz QKODXHMBHLZFJT-CYBMUJFWSA-N 1 1 317.345 3.107 20 5 DGBDMO Cc1cnc(NCCCC[N@@H+]2CCCC[C@H]2C)c([N+](=O)[O-])c1 ZINC000078631161 400816306 /nfs/dbraw/zinc/81/63/06/400816306.db2.gz FBJREVOEJMQCAE-CQSZACIVSA-N 1 1 306.410 3.365 20 5 DGBDMO CC[N@@H+](CCOc1ccc([N+](=O)[O-])cc1)CCC(F)(F)F ZINC000604525336 400783846 /nfs/dbraw/zinc/78/38/46/400783846.db2.gz PWIUEKVNHJJKES-UHFFFAOYSA-N 1 1 306.284 3.248 20 5 DGBDMO C[C@H](CCc1ccccc1[N+](=O)[O-])[NH2+]C[C@@H]1CCCC[N@@H+](C)C1 ZINC000599071787 400950455 /nfs/dbraw/zinc/95/04/55/400950455.db2.gz SWIZXRNBOVTKAJ-CVEARBPZSA-N 1 1 319.449 3.237 20 5 DGBDMO CC[C@H]([NH2+]C[C@H]1CCCC[N@@H+](C)C1)c1cccc([N+](=O)[O-])c1 ZINC000599072063 400950495 /nfs/dbraw/zinc/95/04/95/400950495.db2.gz XHNSTWHFDYCBIG-PBHICJAKSA-N 1 1 305.422 3.367 20 5 DGBDMO CC[C@H](NC[C@H]1CCCC[N@H+](C)C1)c1cccc([N+](=O)[O-])c1 ZINC000599072063 400950504 /nfs/dbraw/zinc/95/05/04/400950504.db2.gz XHNSTWHFDYCBIG-PBHICJAKSA-N 1 1 305.422 3.367 20 5 DGBDMO CC[C@H](NC[C@H]1CCCC[N@@H+](C)C1)c1cccc([N+](=O)[O-])c1 ZINC000599072063 400950505 /nfs/dbraw/zinc/95/05/05/400950505.db2.gz XHNSTWHFDYCBIG-PBHICJAKSA-N 1 1 305.422 3.367 20 5 DGBDMO COc1cc([N+](=O)[O-])ccc1[C@@H](C)[NH2+]Cc1cccnc1C ZINC000599072462 400950708 /nfs/dbraw/zinc/95/07/08/400950708.db2.gz FDSDAKBUSDIYDD-GFCCVEGCSA-N 1 1 301.346 3.158 20 5 DGBDMO C[C@@H](CCc1ccccc1[N+](=O)[O-])[NH2+]C[C@@H]1CCCC[N@@H+](C)C1 ZINC000599071788 400950840 /nfs/dbraw/zinc/95/08/40/400950840.db2.gz SWIZXRNBOVTKAJ-HOTGVXAUSA-N 1 1 319.449 3.237 20 5 DGBDMO O=[N+]([O-])c1ccc(CC[N@H+]2CCC[C@H](OC3CCC3)C2)cc1 ZINC000594027582 400952499 /nfs/dbraw/zinc/95/24/99/400952499.db2.gz WPQVFDJNCGHCPO-KRWDZBQOSA-N 1 1 304.390 3.171 20 5 DGBDMO CCOc1cc(NC[C@@H]2CC[N@H+]2C2CCCC2)ccc1[N+](=O)[O-] ZINC000599166541 400984073 /nfs/dbraw/zinc/98/40/73/400984073.db2.gz XNTMWCAZPHCCEB-HNNXBMFYSA-N 1 1 319.405 3.422 20 5 DGBDMO CCO[C@@H](C[N@@H+](Cc1cccc([N+](=O)[O-])c1)C1CC1)C1CC1 ZINC000599312909 401019081 /nfs/dbraw/zinc/01/90/81/401019081.db2.gz YTTMCCUJCCOUDL-KRWDZBQOSA-N 1 1 304.390 3.374 20 5 DGBDMO CCOc1cc(NC[C@@H]2CCCC[N@@H+](C)C2)ccc1[N+](=O)[O-] ZINC000599138627 400973055 /nfs/dbraw/zinc/97/30/55/400973055.db2.gz HOVGFTVDFAOXJU-ZDUSSCGKSA-N 1 1 307.394 3.137 20 5 DGBDMO C[N@H+]1CCCC[C@H](CNc2ccc3ncccc3c2[N+](=O)[O-])C1 ZINC000599139477 400973766 /nfs/dbraw/zinc/97/37/66/400973766.db2.gz OQAYUDJEVFQBHO-CYBMUJFWSA-N 1 1 314.389 3.287 20 5 DGBDMO C[C@@H]1C[C@@H]1C[N@@H+](Cc1ccccc1[N+](=O)[O-])[C@H]1CC[C@H](O)CC1 ZINC000599444465 401051291 /nfs/dbraw/zinc/05/12/91/401051291.db2.gz XFXRSRLVPVSLPG-MWQQHZPXSA-N 1 1 318.417 3.356 20 5 DGBDMO CCc1nc(C)c(C[NH2+][C@@H]2CCc3c2cccc3[N+](=O)[O-])o1 ZINC000594525627 401102403 /nfs/dbraw/zinc/10/24/03/401102403.db2.gz XJJJJWJBOAMCHD-CYBMUJFWSA-N 1 1 301.346 3.231 20 5 DGBDMO CCOc1cc(N[C@H]2CCC[N@H+]3CCCC[C@@H]23)ccc1[N+](=O)[O-] ZINC000594600011 401125949 /nfs/dbraw/zinc/12/59/49/401125949.db2.gz LBNBCUGBBONJEM-GJZGRUSLSA-N 1 1 319.405 3.422 20 5 DGBDMO COc1cccc(N[C@@H]2CCC[N@H+]3CCCC[C@@H]23)c1[N+](=O)[O-] ZINC000594603901 401128077 /nfs/dbraw/zinc/12/80/77/401128077.db2.gz WIQZQZRGXPAYLE-OCCSQVGLSA-N 1 1 305.378 3.032 20 5 DGBDMO C[C@H](O)C[N@@H+](Cc1ccc(-c2ccccc2[N+](=O)[O-])o1)C1CC1 ZINC000594615355 401135690 /nfs/dbraw/zinc/13/56/90/401135690.db2.gz NGXMTEUSUHUDIA-LBPRGKRZSA-N 1 1 316.357 3.200 20 5 DGBDMO O=[N+]([O-])c1ccn(CC[N@H+]2CCCC[C@H]2c2ccccc2)n1 ZINC000273837758 401140889 /nfs/dbraw/zinc/14/08/89/401140889.db2.gz INRVMHUHUKIUTK-HNNXBMFYSA-N 1 1 300.362 3.019 20 5 DGBDMO O=[N+]([O-])c1cnn(CC[N@H+]2CCCC[C@H]2c2ccccc2)c1 ZINC000273841687 401141042 /nfs/dbraw/zinc/14/10/42/401141042.db2.gz JKMKBGVDWJSWRU-INIZCTEOSA-N 1 1 300.362 3.019 20 5 DGBDMO COc1ccc([N+](=O)[O-])cc1C[N@@H+]1CCC(F)(F)C[C@@H]1C ZINC000599623436 401093330 /nfs/dbraw/zinc/09/33/30/401093330.db2.gz QFXZOFDZFPPPNT-JTQLQIEISA-N 1 1 300.305 3.223 20 5 DGBDMO COc1ccc([N+](=O)[O-])cc1C[N@H+]1CCC(F)(F)C[C@@H]1C ZINC000599623436 401093335 /nfs/dbraw/zinc/09/33/35/401093335.db2.gz QFXZOFDZFPPPNT-JTQLQIEISA-N 1 1 300.305 3.223 20 5 DGBDMO C[C@H](N[C@@H]1CCC[N@@H+]2CCCC[C@@H]12)c1ccccc1[N+](=O)[O-] ZINC000594519391 401097844 /nfs/dbraw/zinc/09/78/44/401097844.db2.gz KHYIOSPHMZUKJH-LXZKKBNFSA-N 1 1 303.406 3.262 20 5 DGBDMO C[C@H](N[C@@H]1CCC[N@H+]2CCCC[C@@H]12)c1ccccc1[N+](=O)[O-] ZINC000594519391 401097848 /nfs/dbraw/zinc/09/78/48/401097848.db2.gz KHYIOSPHMZUKJH-LXZKKBNFSA-N 1 1 303.406 3.262 20 5 DGBDMO C[C@H](N[C@@H]1CCC[N@@H+]2CCCC[C@H]12)c1ccccc1[N+](=O)[O-] ZINC000594519396 401097953 /nfs/dbraw/zinc/09/79/53/401097953.db2.gz KHYIOSPHMZUKJH-YSVLISHTSA-N 1 1 303.406 3.262 20 5 DGBDMO C[C@H](N[C@@H]1CCC[N@H+]2CCCC[C@H]12)c1ccccc1[N+](=O)[O-] ZINC000594519396 401097961 /nfs/dbraw/zinc/09/79/61/401097961.db2.gz KHYIOSPHMZUKJH-YSVLISHTSA-N 1 1 303.406 3.262 20 5 DGBDMO CC[N@H+](C/C(C)=C/c1cccc([N+](=O)[O-])c1)C[C@H]1CCOC1 ZINC000615833513 401160720 /nfs/dbraw/zinc/16/07/20/401160720.db2.gz VASDHWZUSNJYPM-SCZPIIQISA-N 1 1 304.390 3.357 20 5 DGBDMO C[NH+]1CCC2(CCCN2C/C=C\c2ccccc2[N+](=O)[O-])CC1 ZINC000616007418 401195674 /nfs/dbraw/zinc/19/56/74/401195674.db2.gz PSZKCCHNNVAOLT-DAXSKMNVSA-N 1 1 315.417 3.168 20 5 DGBDMO Cc1nc(C[N@@H+]2CCC[C@@H](c3ccc([N+](=O)[O-])cc3)C2)[nH]c1C ZINC000600168716 401205336 /nfs/dbraw/zinc/20/53/36/401205336.db2.gz NLKHFTJFRVSEAC-OAHLLOKOSA-N 1 1 314.389 3.314 20 5 DGBDMO Cc1nc(C[N@H+]2CCC[C@@H](c3ccc([N+](=O)[O-])cc3)C2)[nH]c1C ZINC000600168716 401205344 /nfs/dbraw/zinc/20/53/44/401205344.db2.gz NLKHFTJFRVSEAC-OAHLLOKOSA-N 1 1 314.389 3.314 20 5 DGBDMO C/C(=C/c1cccc([N+](=O)[O-])c1)CN[C@@H]1CC[N@@H+](C(C)(C)C)C1 ZINC000594956139 401207459 /nfs/dbraw/zinc/20/74/59/401207459.db2.gz HJPULEPYGSVIEK-SCOADAFUSA-N 1 1 317.433 3.461 20 5 DGBDMO C/C(=C/c1cccc([N+](=O)[O-])c1)CN[C@@H]1CC[N@H+](C(C)(C)C)C1 ZINC000594956139 401207462 /nfs/dbraw/zinc/20/74/62/401207462.db2.gz HJPULEPYGSVIEK-SCOADAFUSA-N 1 1 317.433 3.461 20 5 DGBDMO O=[N+]([O-])c1ccc(CN[C@@H]2CC[N@H+](C3CCCCC3)C2)cc1 ZINC000594977605 401216468 /nfs/dbraw/zinc/21/64/68/401216468.db2.gz LUUCIHVQJDFTHX-OAHLLOKOSA-N 1 1 303.406 3.091 20 5 DGBDMO O=[N+]([O-])c1ccc(C[NH2+][C@@H]2CCN(C3CCCCC3)C2)cc1 ZINC000594977605 401216472 /nfs/dbraw/zinc/21/64/72/401216472.db2.gz LUUCIHVQJDFTHX-OAHLLOKOSA-N 1 1 303.406 3.091 20 5 DGBDMO COc1cc([N+](=O)[O-])ccc1[C@@H](C)[NH2+][C@H](C)c1ccccn1 ZINC000595005742 401227273 /nfs/dbraw/zinc/22/72/73/401227273.db2.gz DLIHSPLBTKKGND-VXGBXAGGSA-N 1 1 301.346 3.410 20 5 DGBDMO COc1cc([N+](=O)[O-])ccc1[C@@H](C)[NH2+]Cc1c(C)noc1C ZINC000595007556 401228623 /nfs/dbraw/zinc/22/86/23/401228623.db2.gz MCMVGDBVQKQOOE-SECBINFHSA-N 1 1 305.334 3.059 20 5 DGBDMO CC[C@H]1[C@@H](C)CC[N@H+]1CCC(=O)Nc1cccc([N+](=O)[O-])c1C ZINC000185653108 165011401 /nfs/dbraw/zinc/01/14/01/165011401.db2.gz SLLBQBYFTLBIMZ-WFASDCNBSA-N 1 1 319.405 3.352 20 5 DGBDMO CC(C)C[C@@]1(CO)CCC[N@H+]1Cc1c(F)cccc1[N+](=O)[O-] ZINC000191663526 165262720 /nfs/dbraw/zinc/26/27/20/165262720.db2.gz BUKJAJPKCDRHIB-MRXNPFEDSA-N 1 1 310.369 3.107 20 5 DGBDMO CCn1nc(C)c([N+](=O)[O-])c1NCC(C)(C)[N@H+]1CCC[C@H](C)C1 ZINC000192558247 165296402 /nfs/dbraw/zinc/29/64/02/165296402.db2.gz XNLSEBSYSSDLBY-LBPRGKRZSA-N 1 1 323.441 3.042 20 5 DGBDMO CCC[N@@H+](CC(=O)Nc1ccc(Cl)cc1[N+](=O)[O-])C1CC1 ZINC000171682499 432159466 /nfs/dbraw/zinc/15/94/66/432159466.db2.gz QRLPMVSNCMAAHN-UHFFFAOYSA-N 1 1 311.769 3.061 20 5 DGBDMO C[C@H]1CSCC[N@@H+](Cc2ccc([N+](=O)[O-])cc2Cl)C1 ZINC000190425473 432155026 /nfs/dbraw/zinc/15/50/26/432155026.db2.gz SDXWDKXMZHDUNC-SNVBAGLBSA-N 1 1 300.811 3.433 20 5 DGBDMO O=[N+]([O-])c1ccc(C[N@H+]2CCC[C@@H](c3cc[nH]n3)C2)c(Cl)c1 ZINC000182073425 432156274 /nfs/dbraw/zinc/15/62/74/432156274.db2.gz FHNRCRBMAOEZFH-GFCCVEGCSA-N 1 1 320.780 3.351 20 5 DGBDMO C[C@]1(O)CCC[N@@H+](Cc2ccc(-c3ccccc3[N+](=O)[O-])o2)C1 ZINC000129481258 196051872 /nfs/dbraw/zinc/05/18/72/196051872.db2.gz QVNSIMJIHBOKSE-KRWDZBQOSA-N 1 1 316.357 3.202 20 5 DGBDMO Cc1ccc([C@@H](C)NCC[N@@H+]2CCC[C@@H](C)C2)cc1[N+](=O)[O-] ZINC000246927395 432181992 /nfs/dbraw/zinc/18/19/92/432181992.db2.gz GXKKBCPCLNANBN-UKRRQHHQSA-N 1 1 305.422 3.286 20 5 DGBDMO Cc1ccc([C@@H](C)NCC[N@H+]2CCC[C@@H](C)C2)cc1[N+](=O)[O-] ZINC000246927395 432181995 /nfs/dbraw/zinc/18/19/95/432181995.db2.gz GXKKBCPCLNANBN-UKRRQHHQSA-N 1 1 305.422 3.286 20 5 DGBDMO C[N@@H+](Cc1cc(Cl)ccc1[N+](=O)[O-])[C@H](CO)C(C)(C)C ZINC000269629329 432189494 /nfs/dbraw/zinc/18/94/94/432189494.db2.gz HGNMHAUWXFXJLM-CYBMUJFWSA-N 1 1 300.786 3.087 20 5 DGBDMO CCC[N@@H+](C)C[C@@H]1CCN(c2c(F)cc([N+](=O)[O-])cc2F)C1 ZINC000269649116 432191766 /nfs/dbraw/zinc/19/17/66/432191766.db2.gz QAQYRYSGDFWQQW-NSHDSACASA-N 1 1 313.348 3.041 20 5 DGBDMO C[C@H](c1cccs1)[N@@H+](C)C[C@H](O)c1cccc([N+](=O)[O-])c1 ZINC000269671941 432196166 /nfs/dbraw/zinc/19/61/66/432196166.db2.gz OBZHBJJQJCDITN-RISCZKNCSA-N 1 1 306.387 3.383 20 5 DGBDMO Cc1cccc(C[N@@H+](C)C[C@H](O)c2cccc([N+](=O)[O-])c2)c1 ZINC000269677124 432196491 /nfs/dbraw/zinc/19/64/91/432196491.db2.gz PPVAXBSSOWIMGU-KRWDZBQOSA-N 1 1 300.358 3.069 20 5 DGBDMO Cc1c(C[N@@H+]2CC[C@H](C)[C@@H](n3ccnc3)C2)cccc1[N+](=O)[O-] ZINC000247361148 432225185 /nfs/dbraw/zinc/22/51/85/432225185.db2.gz HIXWXGBXWYIPAP-GUYCJALGSA-N 1 1 314.389 3.183 20 5 DGBDMO CCC[N@H+]1CC[C@H](CN[C@@H](C)c2cccc([N+](=O)[O-])c2C)C1 ZINC000151117171 432222425 /nfs/dbraw/zinc/22/24/25/432222425.db2.gz CFJAEFSWEFTVPU-LSDHHAIUSA-N 1 1 305.422 3.286 20 5 DGBDMO CC[N@H+](Cc1cc([N+](=O)[O-])ccc1OC(F)F)C[C@@H](C)OC ZINC000291085811 222125309 /nfs/dbraw/zinc/12/53/09/222125309.db2.gz OKYFZLSAQUFCEW-SNVBAGLBSA-N 1 1 318.320 3.053 20 5 DGBDMO C[C@@H](C(=O)Nc1cccc([N+](=O)[O-])c1)[N@@H+]1C[C@@H]2CCCC[C@@H]2C1 ZINC000177536475 228331285 /nfs/dbraw/zinc/33/12/85/228331285.db2.gz ZSMYXVRIESZTPW-MELADBBJSA-N 1 1 317.389 3.044 20 5 DGBDMO Cc1cc(NCC[N@H+](C)C(C)C)c2cccc([N+](=O)[O-])c2n1 ZINC000302016845 230037288 /nfs/dbraw/zinc/03/72/88/230037288.db2.gz LZMYLZNTGSPAJD-UHFFFAOYSA-N 1 1 302.378 3.204 20 5 DGBDMO Cc1cc(C)c([N+](=O)[O-])cc1NC(=O)[C@H](C)[N@@H+]1[C@H](C)CC[C@@H]1C ZINC000413030414 230114631 /nfs/dbraw/zinc/11/46/31/230114631.db2.gz VGWYNWYUTAUUGS-MJBXVCDLSA-N 1 1 319.405 3.411 20 5 DGBDMO Cc1[nH+]ccn1CCCNc1ccc([N+](=O)[O-])c2ncccc12 ZINC000413155005 230140585 /nfs/dbraw/zinc/14/05/85/230140585.db2.gz BIVFOQGKZCZTIW-UHFFFAOYSA-N 1 1 311.345 3.150 20 5 DGBDMO C[C@@H]1C[C@H](C[NH3+])CN1Cc1ccc(-c2ccccc2[N+](=O)[O-])o1 ZINC000346655328 264073824 /nfs/dbraw/zinc/07/38/24/264073824.db2.gz FZHZFZKHIAWYTO-CHWSQXEVSA-N 1 1 315.373 3.024 20 5 DGBDMO C/C(=C/c1cccc([N+](=O)[O-])c1)C[N@@H+](CCCCO)C1CC1 ZINC000347332509 264198778 /nfs/dbraw/zinc/19/87/78/264198778.db2.gz GJJBVRQBIYPOQV-KAMYIIQDSA-N 1 1 304.390 3.235 20 5 DGBDMO CCCC[N@@H+](CCn1cc([N+](=O)[O-])cn1)Cc1ccccc1F ZINC000350118917 264583893 /nfs/dbraw/zinc/58/38/93/264583893.db2.gz VHFCWRZPLZKJQW-UHFFFAOYSA-N 1 1 320.368 3.233 20 5 DGBDMO O=[N+]([O-])c1cc2ccccc2nc1N[C@@H]1CC[N@H+]2CCCC[C@@H]12 ZINC000352362522 265016103 /nfs/dbraw/zinc/01/61/03/265016103.db2.gz VYQLZVFRVKREQL-CABCVRRESA-N 1 1 312.373 3.182 20 5 DGBDMO Cc1nc(C[N@H+](C)CCc2ccccc2[N+](=O)[O-])c(C)s1 ZINC000352562347 265088471 /nfs/dbraw/zinc/08/84/71/265088471.db2.gz JWLHFFFKXMLRMK-UHFFFAOYSA-N 1 1 305.403 3.343 20 5 DGBDMO Cc1nc(C[N@@H+](C)CCc2ccccc2[N+](=O)[O-])c(C)s1 ZINC000352562347 265088475 /nfs/dbraw/zinc/08/84/75/265088475.db2.gz JWLHFFFKXMLRMK-UHFFFAOYSA-N 1 1 305.403 3.343 20 5 DGBDMO CCOc1cccc(C[N@@H+](C)CCc2ccccc2[N+](=O)[O-])n1 ZINC000352571636 265091939 /nfs/dbraw/zinc/09/19/39/265091939.db2.gz XCNIKCQCPZRNKG-UHFFFAOYSA-N 1 1 315.373 3.063 20 5 DGBDMO O=[N+]([O-])c1ccc2c(c1)C[N@H+](C[C@H]1Cc3ccccc31)CCO2 ZINC000352709022 265137370 /nfs/dbraw/zinc/13/73/70/265137370.db2.gz ISODWXNHUDKZNW-CQSZACIVSA-N 1 1 310.353 3.129 20 5 DGBDMO C[C@H](c1ccccc1[N+](=O)[O-])[N@H+]1CC[C@H](COC(F)F)C1 ZINC000353031569 265273291 /nfs/dbraw/zinc/27/32/91/265273291.db2.gz VTGVRHHFBHXRBB-MNOVXSKESA-N 1 1 300.305 3.217 20 5 DGBDMO CCC[N@@H+](CC)C[C@@H](C)NC(=O)Nc1ccc([N+](=O)[O-])c(C)c1 ZINC000353298424 265379562 /nfs/dbraw/zinc/37/95/62/265379562.db2.gz JGPFBCBLURMIOH-CYBMUJFWSA-N 1 1 322.409 3.145 20 5 DGBDMO CC[N@H+](CCC(=O)Nc1ccc([N+](=O)[O-])cc1C)CCC1CC1 ZINC000355060038 265956604 /nfs/dbraw/zinc/95/66/04/265956604.db2.gz HILWPFHBIAIYRC-UHFFFAOYSA-N 1 1 319.405 3.354 20 5 DGBDMO CCOC(=O)CC(C)(C)[N@@H+](C)C/C=C\c1ccccc1[N+](=O)[O-] ZINC000355363558 266051579 /nfs/dbraw/zinc/05/15/79/266051579.db2.gz IUVIDNIRDRVLNL-NTMALXAHSA-N 1 1 320.389 3.272 20 5 DGBDMO Cc1cc(NC(=O)c2ccc([N+](=O)[O-])c(C)c2)cn2cc[nH+]c12 ZINC000355435324 266073351 /nfs/dbraw/zinc/07/33/51/266073351.db2.gz SZPJFNRETHRHJB-UHFFFAOYSA-N 1 1 310.313 3.112 20 5 DGBDMO Cn1cnc([N+](=O)[O-])c1C[N@H+](Cc1ccccc1)CC(C)(C)C ZINC000355931617 266233470 /nfs/dbraw/zinc/23/34/70/266233470.db2.gz BVWVGTCPIUFNLN-UHFFFAOYSA-N 1 1 316.405 3.377 20 5 DGBDMO Cn1cnc([N+](=O)[O-])c1C[N@@H+](Cc1ccccc1)CC(C)(C)C ZINC000355931617 266233472 /nfs/dbraw/zinc/23/34/72/266233472.db2.gz BVWVGTCPIUFNLN-UHFFFAOYSA-N 1 1 316.405 3.377 20 5 DGBDMO Cc1cc(NC[C@@H]2CC[N@H+](C)C2)c(C(F)(F)F)cc1[N+](=O)[O-] ZINC000359907524 271017246 /nfs/dbraw/zinc/01/72/46/271017246.db2.gz WPKSZIDRTWABEG-JTQLQIEISA-N 1 1 317.311 3.286 20 5 DGBDMO CC(C)[C@@]1(CO)CC[N@@H+](Cc2ccc([N+](=O)[O-])cc2Cl)C1 ZINC000368066014 271129432 /nfs/dbraw/zinc/12/94/32/271129432.db2.gz VYFQMCPFIZNBJI-HNNXBMFYSA-N 1 1 312.797 3.089 20 5 DGBDMO O=[N+]([O-])c1cccc(-c2noc(C[N@@H+]3CC4CCC3CC4)n2)c1 ZINC000371394168 271437124 /nfs/dbraw/zinc/43/71/24/271437124.db2.gz XKCJVCJOJKIXQU-UHFFFAOYSA-N 1 1 314.345 3.019 20 5 DGBDMO O=[N+]([O-])c1cccc(-c2noc(C[N@H+]3CC4CCC3CC4)n2)c1 ZINC000371394168 271437126 /nfs/dbraw/zinc/43/71/26/271437126.db2.gz XKCJVCJOJKIXQU-UHFFFAOYSA-N 1 1 314.345 3.019 20 5 DGBDMO COC[C@@H](C)[N@H+](C)Cc1cc(Cl)cc(Cl)c1[N+](=O)[O-] ZINC000289516370 274041800 /nfs/dbraw/zinc/04/18/00/274041800.db2.gz AXVRVNHZPMKXSR-MRVPVSSYSA-N 1 1 307.177 3.368 20 5 DGBDMO COC[C@@H](C)[N@@H+](C)Cc1cc(Cl)cc(Cl)c1[N+](=O)[O-] ZINC000289516370 274041802 /nfs/dbraw/zinc/04/18/02/274041802.db2.gz AXVRVNHZPMKXSR-MRVPVSSYSA-N 1 1 307.177 3.368 20 5 DGBDMO CO[C@@H](C[N@H+]1CCc2ccc([N+](=O)[O-])cc2C1)c1ccccc1 ZINC000338544618 274060592 /nfs/dbraw/zinc/06/05/92/274060592.db2.gz RILPEDMALCLRKY-SFHVURJKSA-N 1 1 312.369 3.341 20 5 DGBDMO C[C@@H]([NH2+]CC(=O)Nc1ccc(F)cc1)c1ccccc1[N+](=O)[O-] ZINC000342286243 274245408 /nfs/dbraw/zinc/24/54/08/274245408.db2.gz VTOFGZNCKPAZOE-LLVKDONJSA-N 1 1 317.320 3.023 20 5 DGBDMO C[C@@H]1C[C@@H](N[C@@H]2CCCc3ccc([N+](=O)[O-])cc32)CC[N@@H+]1C ZINC000447546466 274393553 /nfs/dbraw/zinc/39/35/53/274393553.db2.gz WBZVJYBEEINEKY-HACGYAERSA-N 1 1 303.406 3.045 20 5 DGBDMO C[C@@H]1C[C@@H](N[C@@H]2CCCc3ccc([N+](=O)[O-])cc32)CC[N@H+]1C ZINC000447546466 274393555 /nfs/dbraw/zinc/39/35/55/274393555.db2.gz WBZVJYBEEINEKY-HACGYAERSA-N 1 1 303.406 3.045 20 5 DGBDMO C[C@@H]1C[C@@H](N[C@H]2CC(C)(C)c3ccc([N+](=O)[O-])cc32)CC[N@@H+]1C ZINC000332037795 274394349 /nfs/dbraw/zinc/39/43/49/274394349.db2.gz XHIDZMGARXBPBR-IGCXYCKISA-N 1 1 317.433 3.390 20 5 DGBDMO C[C@@H]1C[C@@H](N[C@H]2CC(C)(C)c3ccc([N+](=O)[O-])cc32)CC[N@H+]1C ZINC000332037795 274394351 /nfs/dbraw/zinc/39/43/51/274394351.db2.gz XHIDZMGARXBPBR-IGCXYCKISA-N 1 1 317.433 3.390 20 5 DGBDMO O=[N+]([O-])c1ccc2c(c1)[C@H](NC1CC[NH+](C3CC3)CC1)CCC2 ZINC000192627087 275038029 /nfs/dbraw/zinc/03/80/29/275038029.db2.gz VTLRKMHEJGQLDT-GOSISDBHSA-N 1 1 315.417 3.189 20 5 DGBDMO CC(C)[N@@H+](CC(=O)Nc1ccccc1[N+](=O)[O-])C1CCCC1 ZINC000068448952 431127832 /nfs/dbraw/zinc/12/78/32/431127832.db2.gz BIOHZXOYNUAMPJ-UHFFFAOYSA-N 1 1 305.378 3.186 20 5 DGBDMO CCCO[C@@H]1CCC[N@@H+](Cc2ccc(OC)c([N+](=O)[O-])c2)CC1 ZINC000108397957 431140828 /nfs/dbraw/zinc/14/08/28/431140828.db2.gz SIEUNRCBMJBBLH-OAHLLOKOSA-N 1 1 322.405 3.385 20 5 DGBDMO C[C@@H](C(=O)Nc1ccccc1[N+](=O)[O-])[N@H+]1CCC[C@H](C)CC1 ZINC000068837987 431144392 /nfs/dbraw/zinc/14/43/92/431144392.db2.gz YHUJUZXJOAEXMY-STQMWFEESA-N 1 1 305.378 3.044 20 5 DGBDMO Cc1c(NC(=O)[C@H](C)[N@H+]2CCC[C@H](C)CC2)cccc1[N+](=O)[O-] ZINC000068829627 431144440 /nfs/dbraw/zinc/14/44/40/431144440.db2.gz RJXPHHVLGGLPTE-JSGCOSHPSA-N 1 1 319.405 3.352 20 5 DGBDMO CCC[C@]1(C)CCC[N@@H+](Cc2ccc(C(N)=O)cc2[N+](=O)[O-])C1 ZINC000072896161 431355936 /nfs/dbraw/zinc/35/59/36/431355936.db2.gz XSHVHSQSVAIRLN-QGZVFWFLSA-N 1 1 319.405 3.096 20 5 DGBDMO COc1ccc(C[NH2+]C(C)(C)c2nc(C)cs2)cc1[N+](=O)[O-] ZINC000116381741 431507562 /nfs/dbraw/zinc/50/75/62/431507562.db2.gz NFDRWHLSVHVVHV-UHFFFAOYSA-N 1 1 321.402 3.393 20 5 DGBDMO C[N@@H+](CCOc1cccc([N+](=O)[O-])c1)CCc1cccs1 ZINC000075966619 431511343 /nfs/dbraw/zinc/51/13/43/431511343.db2.gz UMFDZTDAWYNPLA-UHFFFAOYSA-N 1 1 306.387 3.210 20 5 DGBDMO CC[C@H]1CCC[N@@H+](CC(=O)N(C)c2ccc([N+](=O)[O-])cc2)CC1 ZINC000117345690 431558473 /nfs/dbraw/zinc/55/84/73/431558473.db2.gz HFSWLRTYAXPSSB-AWEZNQCLSA-N 1 1 319.405 3.070 20 5 DGBDMO CC(C)[C@H]1CCCC[N@H+]1CC(=O)Nc1ccccc1[N+](=O)[O-] ZINC000117349030 431560253 /nfs/dbraw/zinc/56/02/53/431560253.db2.gz UELNFBCGCXOJSY-CQSZACIVSA-N 1 1 305.378 3.044 20 5 DGBDMO O=[N+]([O-])c1ccccc1N1CC[C@H]2[C@H](CCC[N@H+]2C2CC2)C1 ZINC000161893529 280375514 /nfs/dbraw/zinc/37/55/14/280375514.db2.gz JWSBEVAVVZJCII-HIFRSBDPSA-N 1 1 301.390 3.048 20 5 DGBDMO C[C@@H]1CCC[C@@H]([N@@H+](C)CC(=O)N(C)c2ccc([N+](=O)[O-])cc2)C1 ZINC000026476932 431674564 /nfs/dbraw/zinc/67/45/64/431674564.db2.gz NEHPPDBJGCMINC-CZUORRHYSA-N 1 1 319.405 3.068 20 5 DGBDMO CC[C@H]1CCC[N@@H+](CCC(=O)Nc2cccc([N+](=O)[O-])c2C)C1 ZINC000030144601 431733322 /nfs/dbraw/zinc/73/33/22/431733322.db2.gz KJJIWQQERWLZRB-AWEZNQCLSA-N 1 1 319.405 3.354 20 5 DGBDMO C[NH+](C)[C@H](CNCc1csc([N+](=O)[O-])c1)c1ccccc1 ZINC000037562538 431847965 /nfs/dbraw/zinc/84/79/65/431847965.db2.gz OUXGYUOXNCLRMN-CQSZACIVSA-N 1 1 305.403 3.049 20 5 DGBDMO CC[C@H]1COCC[N@@H+]1Cc1ccc(-c2ccccc2[N+](=O)[O-])o1 ZINC000091980926 431906714 /nfs/dbraw/zinc/90/67/14/431906714.db2.gz XFSPLSNXCVSMAM-ZDUSSCGKSA-N 1 1 316.357 3.466 20 5 DGBDMO CC[C@H]1COCC[N@H+]1Cc1ccc(-c2ccccc2[N+](=O)[O-])o1 ZINC000091980926 431906716 /nfs/dbraw/zinc/90/67/16/431906716.db2.gz XFSPLSNXCVSMAM-ZDUSSCGKSA-N 1 1 316.357 3.466 20 5 DGBDMO Cc1noc([C@@H]2CCC[N@H+]([C@@H](C)c3cccc([N+](=O)[O-])c3)C2)n1 ZINC000054676549 431972252 /nfs/dbraw/zinc/97/22/52/431972252.db2.gz PMZGICJBJMZXNR-SMDDNHRTSA-N 1 1 316.361 3.227 20 5 DGBDMO CC(C)C[N@@H+](Cc1nc(-c2ccc([N+](=O)[O-])cc2)no1)C1CC1 ZINC000052535604 431956653 /nfs/dbraw/zinc/95/66/53/431956653.db2.gz GGWQGJWXQYICSF-UHFFFAOYSA-N 1 1 316.361 3.265 20 5 DGBDMO CC[N@@H+](CCCO)Cc1cc(=O)oc2ccc3ccccc3c12 ZINC000270752337 432285571 /nfs/dbraw/zinc/28/55/71/432285571.db2.gz ULQJKPVLKXARML-UHFFFAOYSA-N 1 1 311.381 3.151 20 5 DGBDMO Cc1cc([N+](=O)[O-])ccc1NC(=O)C[N@H+]1CCC[C@@H]2CCC[C@@H]21 ZINC000173555739 432287071 /nfs/dbraw/zinc/28/70/71/432287071.db2.gz HDULZPMMDJAXCT-BBRMVZONSA-N 1 1 317.389 3.106 20 5 DGBDMO CC[C@@H](C)C[N@@H+](C)CCC(=O)Nc1cc([N+](=O)[O-])ccc1F ZINC000128604352 431997122 /nfs/dbraw/zinc/99/71/22/431997122.db2.gz BRXLACUKGKWFMF-LLVKDONJSA-N 1 1 311.357 3.040 20 5 DGBDMO Cc1cc([N+](=O)[O-])ccc1NC(=O)C[N@@H+]1CC[C@@H](CC(C)C)C1 ZINC000174191612 432327719 /nfs/dbraw/zinc/32/77/19/432327719.db2.gz BBQTZGSWBMRLHD-AWEZNQCLSA-N 1 1 319.405 3.210 20 5 DGBDMO O=[N+]([O-])c1ccc(C[NH2+]Cc2cccc3nccn32)c(Cl)c1 ZINC000183808936 432327958 /nfs/dbraw/zinc/32/79/58/432327958.db2.gz AHGPQPAXCVIOCX-UHFFFAOYSA-N 1 1 316.748 3.186 20 5 DGBDMO Cc1ccc([N+](=O)[O-])cc1[C@@H](C)NC[C@@H]1CC[N@@H+](C2CC2)C1 ZINC000152426886 432332888 /nfs/dbraw/zinc/33/28/88/432332888.db2.gz SQRNRFVDWRUYIO-KGLIPLIRSA-N 1 1 303.406 3.038 20 5 DGBDMO Cc1ccc([N+](=O)[O-])cc1[C@@H](C)NC[C@@H]1CC[N@H+](C2CC2)C1 ZINC000152426886 432332890 /nfs/dbraw/zinc/33/28/90/432332890.db2.gz SQRNRFVDWRUYIO-KGLIPLIRSA-N 1 1 303.406 3.038 20 5 DGBDMO COc1cc(C[N@@H+]2CCS[C@@H](C)CC2)c([N+](=O)[O-])cc1F ZINC000192178068 432340471 /nfs/dbraw/zinc/34/04/71/432340471.db2.gz DPQYWCICFFJQBX-JTQLQIEISA-N 1 1 314.382 3.070 20 5 DGBDMO COc1cc(C[N@H+]2CCS[C@@H](C)CC2)c([N+](=O)[O-])cc1F ZINC000192178068 432340474 /nfs/dbraw/zinc/34/04/74/432340474.db2.gz DPQYWCICFFJQBX-JTQLQIEISA-N 1 1 314.382 3.070 20 5 DGBDMO O=[N+]([O-])c1cnn(CC[N@@H+](Cc2ccc(Cl)cc2)C2CC2)c1 ZINC000174823030 432372993 /nfs/dbraw/zinc/37/29/93/432372993.db2.gz PMFJXBFILGQPKG-UHFFFAOYSA-N 1 1 320.780 3.109 20 5 DGBDMO Cc1ccc([C@H]2CCCC[N@H+]2CCn2cc([N+](=O)[O-])cn2)cc1 ZINC000174874008 432374487 /nfs/dbraw/zinc/37/44/87/432374487.db2.gz MQZCDKUIMXDRFT-QGZVFWFLSA-N 1 1 314.389 3.327 20 5 DGBDMO CCn1nc(C)c([N+](=O)[O-])c1NCCCC[N@H+]1CCCC[C@@H]1C ZINC000192499931 432382235 /nfs/dbraw/zinc/38/22/35/432382235.db2.gz BKIJMHBRFBZZKK-ZDUSSCGKSA-N 1 1 323.441 3.186 20 5 DGBDMO C[C@H]1CC[N@@H+](C[C@H](O)c2cccc([N+](=O)[O-])c2)CC12CCC2 ZINC000271406855 432389515 /nfs/dbraw/zinc/38/95/15/432389515.db2.gz YDKMUWVOWYTWNK-BBRMVZONSA-N 1 1 304.390 3.140 20 5 DGBDMO CCOc1ccc([C@H](C)[NH2+]Cc2c(C)noc2C)cc1[N+](=O)[O-] ZINC000153195997 432390662 /nfs/dbraw/zinc/39/06/62/432390662.db2.gz FLWSMDWIWSAMOP-JTQLQIEISA-N 1 1 319.361 3.449 20 5 DGBDMO C[N@H+]1CCN(CCc2ccc([N+](=O)[O-])cc2)C2(CCCCC2)C1 ZINC000175068547 432393934 /nfs/dbraw/zinc/39/39/34/432393934.db2.gz WCGYIOYJFHGUIT-UHFFFAOYSA-N 1 1 317.433 3.088 20 5 DGBDMO CN1CC[N@H+](CCc2ccc([N+](=O)[O-])cc2)C2(CCCCC2)C1 ZINC000175068547 432393937 /nfs/dbraw/zinc/39/39/37/432393937.db2.gz WCGYIOYJFHGUIT-UHFFFAOYSA-N 1 1 317.433 3.088 20 5 DGBDMO CN1CC[N@@H+](CCc2ccc([N+](=O)[O-])cc2)C2(CCCCC2)C1 ZINC000175068547 432393941 /nfs/dbraw/zinc/39/39/41/432393941.db2.gz WCGYIOYJFHGUIT-UHFFFAOYSA-N 1 1 317.433 3.088 20 5 DGBDMO C[C@]1(C[NH3+])CCN(Cc2ccc(-c3ccc([N+](=O)[O-])cc3)o2)C1 ZINC000261787454 432451509 /nfs/dbraw/zinc/45/15/09/432451509.db2.gz UOMLJDWWVATJCR-QGZVFWFLSA-N 1 1 315.373 3.026 20 5 DGBDMO CCOc1ccc([C@H](C)NCC[N@@H+](C)[C@H](C)CC)cc1[N+](=O)[O-] ZINC000153525785 432416541 /nfs/dbraw/zinc/41/65/41/432416541.db2.gz SNHWJBBYEUQRJJ-KGLIPLIRSA-N 1 1 323.437 3.374 20 5 DGBDMO CCOc1ccc([C@H](C)[NH2+]CCN(C)[C@H](C)CC)cc1[N+](=O)[O-] ZINC000153525785 432416546 /nfs/dbraw/zinc/41/65/46/432416546.db2.gz SNHWJBBYEUQRJJ-KGLIPLIRSA-N 1 1 323.437 3.374 20 5 DGBDMO CC[C@H]1CC[C@H](C)[N@H+]1Cc1cc([N+](=O)[O-])cc2c1OCOC2 ZINC000271532715 432416813 /nfs/dbraw/zinc/41/68/13/432416813.db2.gz MNUJFCAODJJRDG-FZMZJTMJSA-N 1 1 306.362 3.224 20 5 DGBDMO C[C@H]1C[C@@H](c2cccc(F)c2)[N@@H+](CCn2ccc([N+](=O)[O-])n2)C1 ZINC000176269381 432505362 /nfs/dbraw/zinc/50/53/62/432505362.db2.gz MOMASXRFQSDJNW-WFASDCNBSA-N 1 1 318.352 3.014 20 5 DGBDMO O=[N+]([O-])c1cc(C[NH+]2CCC(O)(c3ccccc3)CC2)cs1 ZINC000185523278 432508853 /nfs/dbraw/zinc/50/88/53/432508853.db2.gz YQMRNVFXSDNPJJ-UHFFFAOYSA-N 1 1 318.398 3.140 20 5 DGBDMO CC[C@@H]1[C@@H](C)CC[N@H+]1Cc1nc(-c2cccc([N+](=O)[O-])c2)no1 ZINC000185658752 432520492 /nfs/dbraw/zinc/52/04/92/432520492.db2.gz CXZXDJKHNTUXBJ-SMDDNHRTSA-N 1 1 316.361 3.265 20 5 DGBDMO C[C@H]([NH2+]Cc1csc([N+](=O)[O-])c1)[C@@H](c1ccccc1)N(C)C ZINC000185676159 432522789 /nfs/dbraw/zinc/52/27/89/432522789.db2.gz IWDNEHLHLCVRNJ-LRDDRELGSA-N 1 1 319.430 3.437 20 5 DGBDMO CC[N@@H+](Cc1cc(OC)c(OC(F)F)cc1[N+](=O)[O-])C(C)C ZINC000194095032 432525210 /nfs/dbraw/zinc/52/52/10/432525210.db2.gz QCOKKAOXOWEFDW-UHFFFAOYSA-N 1 1 318.320 3.435 20 5 DGBDMO CC(C)CCC[NH2+][C@H](c1nccn1C)c1ccc([N+](=O)[O-])cc1 ZINC000272574896 432526364 /nfs/dbraw/zinc/52/63/64/432526364.db2.gz WWDKOZHMMWPMSK-INIZCTEOSA-N 1 1 316.405 3.444 20 5 DGBDMO O=[N+]([O-])c1ccc(C[N@H+](Cc2ccc(CO)cc2)C2CC2)cc1 ZINC000272568012 432526765 /nfs/dbraw/zinc/52/67/65/432526765.db2.gz VAUFDVTVOPZNEG-UHFFFAOYSA-N 1 1 312.369 3.252 20 5 DGBDMO Cc1c([C@H](C)[NH2+][C@H](CCO)c2ccco2)cccc1[N+](=O)[O-] ZINC000186556355 432607338 /nfs/dbraw/zinc/60/73/38/432607338.db2.gz NAAIWPJQMAWHHO-GXTWGEPZSA-N 1 1 304.346 3.271 20 5 DGBDMO C[C@H](C1CC1)[N@@H+](C)Cc1cc([N+](=O)[O-])ccc1OC(F)F ZINC000158117100 432638668 /nfs/dbraw/zinc/63/86/68/432638668.db2.gz GGQRTECDWMDMQR-SECBINFHSA-N 1 1 300.305 3.427 20 5 DGBDMO COc1ccc(C[N@@H+](C)CC2(O)CCCCCC2)cc1[N+](=O)[O-] ZINC000187318465 432657303 /nfs/dbraw/zinc/65/73/03/432657303.db2.gz ZQQKDLUHFOPNIM-UHFFFAOYSA-N 1 1 322.405 3.121 20 5 DGBDMO Cc1c(C[N@H+](C)[C@@H](CCO)c2ccccc2)cccc1[N+](=O)[O-] ZINC000266594419 432769710 /nfs/dbraw/zinc/76/97/10/432769710.db2.gz ODZQCWRHQFWJSH-SFHVURJKSA-N 1 1 314.385 3.459 20 5 DGBDMO CC[C@@H](C)C[N@@H+](CC)CCC(=O)Nc1ccccc1[N+](=O)[O-] ZINC000160581412 432730644 /nfs/dbraw/zinc/73/06/44/432730644.db2.gz MMJZTQICBMYBDA-CYBMUJFWSA-N 1 1 307.394 3.291 20 5 DGBDMO C[C@H](CN[C@@H](C)c1cccc([N+](=O)[O-])c1)[N@@H+]1CCC[C@@H](C)C1 ZINC000245471679 432835586 /nfs/dbraw/zinc/83/55/86/432835586.db2.gz XYFOMOLFKPPLBW-KFWWJZLASA-N 1 1 305.422 3.366 20 5 DGBDMO C[C@H](CN[C@@H](C)c1cccc([N+](=O)[O-])c1)[N@H+]1CCC[C@@H](C)C1 ZINC000245471679 432835588 /nfs/dbraw/zinc/83/55/88/432835588.db2.gz XYFOMOLFKPPLBW-KFWWJZLASA-N 1 1 305.422 3.366 20 5 DGBDMO CC(C)[N@H+]1CCC[C@H](CN[C@H](C)c2cccc([N+](=O)[O-])c2)C1 ZINC000245471740 432836067 /nfs/dbraw/zinc/83/60/67/432836067.db2.gz YBVPNIZYXHTFAE-HUUCEWRRSA-N 1 1 305.422 3.366 20 5 DGBDMO C[C@@H](NC[C@@H](C)[N@@H+]1CCC[C@@H](C)C1)c1cccc([N+](=O)[O-])c1 ZINC000245471681 432836306 /nfs/dbraw/zinc/83/63/06/432836306.db2.gz XYFOMOLFKPPLBW-RBSFLKMASA-N 1 1 305.422 3.366 20 5 DGBDMO C[C@@H](NC[C@@H](C)[N@H+]1CCC[C@@H](C)C1)c1cccc([N+](=O)[O-])c1 ZINC000245471681 432836308 /nfs/dbraw/zinc/83/63/08/432836308.db2.gz XYFOMOLFKPPLBW-RBSFLKMASA-N 1 1 305.422 3.366 20 5 DGBDMO CCOc1ccc([C@@H](C)NC[C@@H]2CCC[N@@H+]2CC)cc1[N+](=O)[O-] ZINC000245508523 432837764 /nfs/dbraw/zinc/83/77/64/432837764.db2.gz SBQJVWXETDXHSX-HIFRSBDPSA-N 1 1 321.421 3.128 20 5 DGBDMO CCOc1ccc([C@@H](C)NC[C@@H]2CCC[N@H+]2CC)cc1[N+](=O)[O-] ZINC000245508523 432837766 /nfs/dbraw/zinc/83/77/66/432837766.db2.gz SBQJVWXETDXHSX-HIFRSBDPSA-N 1 1 321.421 3.128 20 5 DGBDMO CCC[N@@H+](C)C[C@@H]1CCN([C@H](C)c2ccccc2[N+](=O)[O-])C1 ZINC000266849565 432791766 /nfs/dbraw/zinc/79/17/66/432791766.db2.gz BZSKUDPOHLGWCO-CABCVRRESA-N 1 1 305.422 3.320 20 5 DGBDMO C[C@H](c1cccc([N+](=O)[O-])c1)[N@H+]1CCC[C@@H](c2ncc[nH]2)C1 ZINC000266959736 432801962 /nfs/dbraw/zinc/80/19/62/432801962.db2.gz WGEUPPIMYDPWJW-TZMCWYRMSA-N 1 1 300.362 3.259 20 5 DGBDMO CCSc1cc(C[NH2+]Cc2ccccc2[N+](=O)[O-])ccn1 ZINC000189598656 432803376 /nfs/dbraw/zinc/80/33/76/432803376.db2.gz CMIVYGAYTLMQMJ-UHFFFAOYSA-N 1 1 303.387 3.392 20 5 DGBDMO C[C@@H]1C[N@H+](Cc2ccc(-c3ccc([N+](=O)[O-])cc3)o2)[C@@H](C)CO1 ZINC000245539341 432841910 /nfs/dbraw/zinc/84/19/10/432841910.db2.gz KVINKXZGGSGAKK-QWHCGFSZSA-N 1 1 316.357 3.464 20 5 DGBDMO C[C@@H]1C[N@@H+](Cc2ccc(-c3ccc([N+](=O)[O-])cc3)o2)[C@@H](C)CO1 ZINC000245539341 432841912 /nfs/dbraw/zinc/84/19/12/432841912.db2.gz KVINKXZGGSGAKK-QWHCGFSZSA-N 1 1 316.357 3.464 20 5 DGBDMO C[C@H]1CC[N@@H+](Cc2cn(C)nc2-c2ccc([N+](=O)[O-])cc2)[C@H]1C ZINC000245722832 432858810 /nfs/dbraw/zinc/85/88/10/432858810.db2.gz DMUMUXOINANPEP-STQMWFEESA-N 1 1 314.389 3.226 20 5 DGBDMO C[C@H](O)[C@H]1C[C@H](C)CC[N@H+]1Cc1ccc(Cl)cc1[N+](=O)[O-] ZINC000331275944 432938011 /nfs/dbraw/zinc/93/80/11/432938011.db2.gz FKPSNMIRQFIFKV-UHIISALHSA-N 1 1 312.797 3.230 20 5 DGBDMO CCC[C@@]1(CO)CC[N@H+](Cc2cc(Cl)ccc2[N+](=O)[O-])C1 ZINC000288773534 432897709 /nfs/dbraw/zinc/89/77/09/432897709.db2.gz JUIZXYGXFDOZHR-OAHLLOKOSA-N 1 1 312.797 3.233 20 5 DGBDMO CCC[C@@]1(CO)CC[N@@H+](Cc2cc(Cl)ccc2[N+](=O)[O-])C1 ZINC000288773534 432897713 /nfs/dbraw/zinc/89/77/13/432897713.db2.gz JUIZXYGXFDOZHR-OAHLLOKOSA-N 1 1 312.797 3.233 20 5 DGBDMO C[C@@H]1C[C@H](N[C@H]2CC(C)(C)c3ccc([N+](=O)[O-])cc32)CC[N@@H+]1C ZINC000332037798 432966910 /nfs/dbraw/zinc/96/69/10/432966910.db2.gz XHIDZMGARXBPBR-XNJGSVPQSA-N 1 1 317.433 3.390 20 5 DGBDMO C[C@@H]1C[C@H](N[C@H]2CC(C)(C)c3ccc([N+](=O)[O-])cc32)CC[N@H+]1C ZINC000332037798 432966912 /nfs/dbraw/zinc/96/69/12/432966912.db2.gz XHIDZMGARXBPBR-XNJGSVPQSA-N 1 1 317.433 3.390 20 5 DGBDMO CCCC[N@@H+](C)C[C@@H](C)Nc1ncc(Cl)cc1[N+](=O)[O-] ZINC000341129566 432970695 /nfs/dbraw/zinc/97/06/95/432970695.db2.gz TXFMFLYSLOSXHB-SNVBAGLBSA-N 1 1 300.790 3.176 20 5 DGBDMO C[N@H+](Cc1cc(Cl)cc(Cl)c1[N+](=O)[O-])C[C@@H]1CCOC1 ZINC000290124413 432995715 /nfs/dbraw/zinc/99/57/15/432995715.db2.gz YZTYZOBNNMNRRZ-VIFPVBQESA-N 1 1 319.188 3.370 20 5 DGBDMO C[C@@H](c1ccccc1[N+](=O)[O-])[NH+]1CCC(c2ccn[nH]2)CC1 ZINC000332444238 433006417 /nfs/dbraw/zinc/00/64/17/433006417.db2.gz JHYIETALJXHARB-LBPRGKRZSA-N 1 1 300.362 3.259 20 5 DGBDMO CC(C)c1ccc(CN2C[C@@H](C)[N@H+](C)[C@@H](C)C2)cc1[N+](=O)[O-] ZINC000354436940 433077345 /nfs/dbraw/zinc/07/73/45/433077345.db2.gz DKVBWWXGVBSZII-OKILXGFUSA-N 1 1 305.422 3.243 20 5 DGBDMO CC(C)c1ccc(CNC2(C[NH+](C)C)CCC2)cc1[N+](=O)[O-] ZINC000341500077 433097681 /nfs/dbraw/zinc/09/76/81/433097681.db2.gz MQLMLSWPDUZREJ-UHFFFAOYSA-N 1 1 305.422 3.292 20 5 DGBDMO C[C@H](CCc1ccccc1[N+](=O)[O-])[N@H+]1CCC[C@]2(CCOC2)C1 ZINC000453381870 433139711 /nfs/dbraw/zinc/13/97/11/433139711.db2.gz RKPXZTLEBBCGBK-QAPCUYQASA-N 1 1 318.417 3.418 20 5 DGBDMO CC(C)[N@@H+](C)CCCNc1ccc([N+](=O)[O-])c2cnccc12 ZINC000298494434 433156713 /nfs/dbraw/zinc/15/67/13/433156713.db2.gz YJKMTZDLWZHTIT-UHFFFAOYSA-N 1 1 302.378 3.285 20 5 DGBDMO COc1ccc(C[NH2+]C(C)(C)c2ccccc2[N+](=O)[O-])cc1O ZINC000291779545 433350328 /nfs/dbraw/zinc/35/03/28/433350328.db2.gz USPQQJCHQQBCMJ-UHFFFAOYSA-N 1 1 316.357 3.334 20 5 DGBDMO Cc1cc(CN(C)Cc2cc(O)ccc2[N+](=O)[O-])ccc1F ZINC000339129861 433377094 /nfs/dbraw/zinc/37/70/94/433377094.db2.gz ZRIXXXAUMHOWDO-UHFFFAOYSA-N 1 1 304.321 3.380 20 5 DGBDMO CN(Cc1cc(F)cc(F)c1)Cc1cc(O)ccc1[N+](=O)[O-] ZINC000339128684 433379370 /nfs/dbraw/zinc/37/93/70/433379370.db2.gz ZDXQOTXPRIADSJ-UHFFFAOYSA-N 1 1 308.284 3.211 20 5 DGBDMO C[C@@H]1[C@H](CO)CC[N@H+]1Cc1ccc(-c2ccccc2[N+](=O)[O-])o1 ZINC000425958218 433385421 /nfs/dbraw/zinc/38/54/21/433385421.db2.gz FJAZVZKYQDBFAF-OLZOCXBDSA-N 1 1 316.357 3.058 20 5 DGBDMO COCC[N@@H+](Cc1ccc(C)c([N+](=O)[O-])c1)[C@@H]1CCCSC1 ZINC000448368422 433400706 /nfs/dbraw/zinc/40/07/06/433400706.db2.gz VSRHOGGBVHLGRG-OAHLLOKOSA-N 1 1 324.446 3.247 20 5 DGBDMO C[C@@H](CNc1ccc([N+](=O)[O-])cc1)[N@H+]1CCc2ccccc2C1 ZINC000301085397 433408913 /nfs/dbraw/zinc/40/89/13/433408913.db2.gz KJWXCFOUCXIMHZ-AWEZNQCLSA-N 1 1 311.385 3.454 20 5 DGBDMO Cc1cc(NCCc2cn3c([nH+]2)CCCC3)ccc1[N+](=O)[O-] ZINC000301129840 433423586 /nfs/dbraw/zinc/42/35/86/433423586.db2.gz ZSMATTNVQCCYEU-UHFFFAOYSA-N 1 1 300.362 3.091 20 5 DGBDMO CCOc1cc(N[C@@H]2CC[N@H+]3CCCC[C@@H]23)ccc1[N+](=O)[O-] ZINC000301175091 433439885 /nfs/dbraw/zinc/43/98/85/433439885.db2.gz FUASTCDSRFWERP-KGLIPLIRSA-N 1 1 305.378 3.032 20 5 DGBDMO C[C@H](NC(=O)CC[N@H+]1CCCC[C@H]1C)c1cccc([N+](=O)[O-])c1 ZINC000339264063 433476721 /nfs/dbraw/zinc/47/67/21/433476721.db2.gz JSYUMKPOGLLVGZ-KGLIPLIRSA-N 1 1 319.405 3.037 20 5 DGBDMO C[NH+]1CCC2(CCCN2C/C=C/c2ccccc2[N+](=O)[O-])CC1 ZINC000375507679 433482850 /nfs/dbraw/zinc/48/28/50/433482850.db2.gz PSZKCCHNNVAOLT-QPJJXVBHSA-N 1 1 315.417 3.168 20 5 DGBDMO Cc1cc([C@H](C)[NH2+][C@H](C)c2ccc(C)c([N+](=O)[O-])c2)nn1C ZINC000282238063 433540033 /nfs/dbraw/zinc/54/00/33/433540033.db2.gz PSINEMFINDEMPF-OLZOCXBDSA-N 1 1 302.378 3.357 20 5 DGBDMO C[C@H](c1ccccc1[N+](=O)[O-])[N@H+]1CCOC[C@@H](C2CCC2)C1 ZINC000292185605 433495109 /nfs/dbraw/zinc/49/51/09/433495109.db2.gz QXGLBWXVSNSYNP-HIFRSBDPSA-N 1 1 304.390 3.404 20 5 DGBDMO Cn1cnc([N+](=O)[O-])c1C[NH2+]C1(c2ccc(Cl)cc2)CCC1 ZINC000342143954 433495983 /nfs/dbraw/zinc/49/59/83/433495983.db2.gz BXHITXKYUQHQLV-UHFFFAOYSA-N 1 1 320.780 3.151 20 5 DGBDMO CC(C)[N@@H+](CCn1ccc([N+](=O)[O-])n1)[C@@H](C)c1ccccc1 ZINC000292193933 433499539 /nfs/dbraw/zinc/49/95/39/433499539.db2.gz NJIZDOKJMRAOJA-AWEZNQCLSA-N 1 1 302.378 3.263 20 5 DGBDMO Cc1[nH+]ccn1-c1ccc(CNc2ccc(C)cc2[N+](=O)[O-])cn1 ZINC000301429184 433549623 /nfs/dbraw/zinc/54/96/23/433549623.db2.gz FNZFLMLOCFXZQZ-UHFFFAOYSA-N 1 1 323.356 3.404 20 5 DGBDMO C[N@H+]1CCC[C@@]2(CCN(Cc3c(Cl)cccc3[N+](=O)[O-])C2)C1 ZINC000339428692 433575398 /nfs/dbraw/zinc/57/53/98/433575398.db2.gz UJLFNFWXRVNHIH-MRXNPFEDSA-N 1 1 323.824 3.166 20 5 DGBDMO CC(C)[N@@H+](C)CCCNc1ccc([N+](=O)[O-])c(OC(F)F)c1 ZINC000356484335 433582065 /nfs/dbraw/zinc/58/20/65/433582065.db2.gz ODSJWLJMVSBUJA-UHFFFAOYSA-N 1 1 317.336 3.338 20 5 DGBDMO CC(C)c1ccc(C[N@@H+]2CCCO[C@@H](CF)C2)cc1[N+](=O)[O-] ZINC000414474449 433641285 /nfs/dbraw/zinc/64/12/85/433641285.db2.gz DEPGPZIDHSJWNY-AWEZNQCLSA-N 1 1 310.369 3.279 20 5 DGBDMO CC(C)c1ccc(C[N@H+]2CCCO[C@@H](CF)C2)cc1[N+](=O)[O-] ZINC000414474449 433641297 /nfs/dbraw/zinc/64/12/97/433641297.db2.gz DEPGPZIDHSJWNY-AWEZNQCLSA-N 1 1 310.369 3.279 20 5 DGBDMO C/C(=C/c1cccc([N+](=O)[O-])c1)C[N@H+]1CCCO[C@H](CF)C1 ZINC000414478881 433645550 /nfs/dbraw/zinc/64/55/50/433645550.db2.gz QEIDZXQWVOFHAB-LPDYGMJQSA-N 1 1 308.353 3.059 20 5 DGBDMO CC[N@H+]1CCCN(c2ccc([N+](=O)[O-])c(C(F)(F)F)c2)CC1 ZINC000301558334 433611475 /nfs/dbraw/zinc/61/14/75/433611475.db2.gz XHGOMZLTIZCPSI-UHFFFAOYSA-N 1 1 317.311 3.146 20 5 DGBDMO C[C@H](C[N@@H+](C)Cc1ccc([N+](=O)[O-])c(F)c1)c1nccs1 ZINC000283067046 433656166 /nfs/dbraw/zinc/65/61/66/433656166.db2.gz JWAFZXLHCMQDDR-SNVBAGLBSA-N 1 1 309.366 3.426 20 5 DGBDMO O=[N+]([O-])c1ccc(C[N@H+](Cc2ccncc2)C2CC2)cc1F ZINC000283128175 433673965 /nfs/dbraw/zinc/67/39/65/433673965.db2.gz NHUDEGLOAVZXBN-UHFFFAOYSA-N 1 1 301.321 3.294 20 5 DGBDMO O=[N+]([O-])c1ccc(C[N@@H+](Cc2ccncc2)C2CC2)cc1F ZINC000283128175 433673973 /nfs/dbraw/zinc/67/39/73/433673973.db2.gz NHUDEGLOAVZXBN-UHFFFAOYSA-N 1 1 301.321 3.294 20 5 DGBDMO CC(C)[C@@H]1[N@@H+](Cc2ccc([N+](=O)[O-])cc2F)CC12CCOCC2 ZINC000414521689 433687408 /nfs/dbraw/zinc/68/74/08/433687408.db2.gz AMXOABZPFKDMJZ-INIZCTEOSA-N 1 1 322.380 3.371 20 5 DGBDMO O=[N+]([O-])c1ccc(C[N@H+]2CCC[C@H](C[C@@H]3CCOC3)C2)cc1F ZINC000366996977 293011780 /nfs/dbraw/zinc/01/17/80/293011780.db2.gz POLAUIWFHKEMLY-HIFRSBDPSA-N 1 1 322.380 3.373 20 5 DGBDMO O=[N+]([O-])c1cnn(CCNc2cc[nH+]c3ccc(Cl)cc23)c1 ZINC000301740364 433704882 /nfs/dbraw/zinc/70/48/82/433704882.db2.gz XKWMJKSPDVERHV-UHFFFAOYSA-N 1 1 317.736 3.105 20 5 DGBDMO C[C@H]1C[C@@H](c2ccccc2)CC[N@H+]1Cc1c([N+](=O)[O-])ncn1C ZINC000374157418 293359587 /nfs/dbraw/zinc/35/95/87/293359587.db2.gz AKXVSYPCVWSGJF-ZFWWWQNUSA-N 1 1 314.389 3.096 20 5 DGBDMO CC(C)[NH+](CCN[C@H](C)Cc1ccccc1[N+](=O)[O-])C(C)C ZINC000449061134 433716002 /nfs/dbraw/zinc/71/60/02/433716002.db2.gz VDZMGBXJWIDAGE-OAHLLOKOSA-N 1 1 307.438 3.234 20 5 DGBDMO O=[N+]([O-])c1ccc2oc(C[N@H+]3CC[C@@H](CC4CC4)C3)nc2c1 ZINC000339685346 433728179 /nfs/dbraw/zinc/72/81/79/433728179.db2.gz ZBIURCWOQRDYON-LBPRGKRZSA-N 1 1 301.346 3.358 20 5 DGBDMO O=[N+]([O-])c1ccc2oc(C[N@H+]3CC[C@H](CC4CC4)C3)nc2c1 ZINC000339685345 433730661 /nfs/dbraw/zinc/73/06/61/433730661.db2.gz ZBIURCWOQRDYON-GFCCVEGCSA-N 1 1 301.346 3.358 20 5 DGBDMO CC(C)c1ccc(C[N@H+]2CCC[C@@H](CO)[C@H]2C)cc1[N+](=O)[O-] ZINC000414592976 433738884 /nfs/dbraw/zinc/73/88/84/433738884.db2.gz ZZTNTANKYAHOFN-HIFRSBDPSA-N 1 1 306.406 3.311 20 5 DGBDMO CC(C)C[N@H+]1CC[C@H](CNc2c(F)cc([N+](=O)[O-])cc2F)C1 ZINC000301790104 433723562 /nfs/dbraw/zinc/72/35/62/433723562.db2.gz NKTVWIOAYULWFS-LLVKDONJSA-N 1 1 313.348 3.263 20 5 DGBDMO O=C(CC[N@H+]1CC[C@@H](CC2CC2)C1)Nc1ccccc1[N+](=O)[O-] ZINC000339680555 433723938 /nfs/dbraw/zinc/72/39/38/433723938.db2.gz WIHAFNDYAYSJDQ-AWEZNQCLSA-N 1 1 317.389 3.045 20 5 DGBDMO CC(C)([NH2+]CC(=O)Nc1ccccc1)c1ccccc1[N+](=O)[O-] ZINC000429273251 433776601 /nfs/dbraw/zinc/77/66/01/433776601.db2.gz LYSRRPWYIFGFDX-UHFFFAOYSA-N 1 1 313.357 3.058 20 5 DGBDMO CC[N@H+]1CCCN(c2ccc([N+](=O)[O-])c(OC(C)(C)C)c2)CC1 ZINC000301895126 433783175 /nfs/dbraw/zinc/78/31/75/433783175.db2.gz TWKMURTZDAJHOG-UHFFFAOYSA-N 1 1 321.421 3.304 20 5 DGBDMO C[N@@H+](Cc1ccccc1)C1CN(c2ccc(F)cc2[N+](=O)[O-])C1 ZINC000343631134 433820890 /nfs/dbraw/zinc/82/08/90/433820890.db2.gz NENHTOZZQSLADO-UHFFFAOYSA-N 1 1 315.348 3.055 20 5 DGBDMO Cc1c(NC(=O)CC[N@H+](C)[C@H](C)C2CCC2)cccc1[N+](=O)[O-] ZINC000357013567 433821940 /nfs/dbraw/zinc/82/19/40/433821940.db2.gz VADSGDHCQJTXEI-CYBMUJFWSA-N 1 1 319.405 3.352 20 5 DGBDMO CC[N@@H+](Cc1ccc(-c2ccc([N+](=O)[O-])cc2)o1)[C@@H](C)CO ZINC000293670551 433822947 /nfs/dbraw/zinc/82/29/47/433822947.db2.gz OTTSLXJHCWFBLX-LBPRGKRZSA-N 1 1 304.346 3.058 20 5 DGBDMO O=[N+]([O-])c1ccccc1/C=C\C[N@H+]1CCc2ccc(O)cc2C1 ZINC000351979764 433833160 /nfs/dbraw/zinc/83/31/60/433833160.db2.gz WPZYIEKNMCQXGC-HYXAFXHYSA-N 1 1 310.353 3.372 20 5 DGBDMO O=[N+]([O-])c1ccccc1/C=C\C[N@@H+]1CCc2ccc(O)cc2C1 ZINC000351979764 433833170 /nfs/dbraw/zinc/83/31/70/433833170.db2.gz WPZYIEKNMCQXGC-HYXAFXHYSA-N 1 1 310.353 3.372 20 5 DGBDMO NC[C@H]([NH2+]Cc1ccc(-c2ccc([N+](=O)[O-])cc2)s1)C1CC1 ZINC000414807440 433849664 /nfs/dbraw/zinc/84/96/64/433849664.db2.gz QZVNWTXYOHTWIX-HNNXBMFYSA-N 1 1 317.414 3.150 20 5 DGBDMO CC[C@H](CSC)[N@@H+](C)Cc1ccc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000284223503 433863965 /nfs/dbraw/zinc/86/39/65/433863965.db2.gz UNDGMLLLGDFVTO-LLVKDONJSA-N 1 1 313.379 3.076 20 5 DGBDMO CCOc1cc(C[N@H+]2CCC[C@@H]2[C@@H]2CCCO2)ccc1[N+](=O)[O-] ZINC000284857655 433905339 /nfs/dbraw/zinc/90/53/39/433905339.db2.gz RWYPHJWABSBZEC-ZBFHGGJFSA-N 1 1 320.389 3.137 20 5 DGBDMO [NH3+][C@H]1CCC[C@H](NCc2ccc(-c3cccc([N+](=O)[O-])c3)o2)C1 ZINC000414910440 433914283 /nfs/dbraw/zinc/91/42/83/433914283.db2.gz CVDZWDHZEPFCKU-KBPBESRZSA-N 1 1 315.373 3.214 20 5 DGBDMO CC[N@H+](Cc1nc2cc([N+](=O)[O-])ccc2[nH]1)Cc1ccccc1 ZINC000352119305 433925839 /nfs/dbraw/zinc/92/58/39/433925839.db2.gz ZMJNQYAKGZVRQI-UHFFFAOYSA-N 1 1 310.357 3.493 20 5 DGBDMO CC[N@@H+](Cc1nc2cc([N+](=O)[O-])ccc2[nH]1)Cc1ccccc1 ZINC000352119305 433925847 /nfs/dbraw/zinc/92/58/47/433925847.db2.gz ZMJNQYAKGZVRQI-UHFFFAOYSA-N 1 1 310.357 3.493 20 5 DGBDMO O=[N+]([O-])c1ccccc1-c1ccc(C[N@@H+]2CCC[C@H](O)CC2)o1 ZINC000293923956 433930015 /nfs/dbraw/zinc/93/00/15/433930015.db2.gz GXDRWPGMCZPOKA-ZDUSSCGKSA-N 1 1 316.357 3.202 20 5 DGBDMO C[C@H]1CCCC[N@H+]1CCCNc1c2c(ccc1[N+](=O)[O-])NCC2 ZINC000302850086 433883146 /nfs/dbraw/zinc/88/31/46/433883146.db2.gz PLMNKGBWRIZCFL-ZDUSSCGKSA-N 1 1 318.421 3.239 20 5 DGBDMO O=[N+]([O-])c1ccc(C[N@H+]2CCC[C@H]2[C@@H]2CCCO2)c(Cl)c1 ZINC000284335413 433887827 /nfs/dbraw/zinc/88/78/27/433887827.db2.gz BVIPFAMGFDLAQO-GJZGRUSLSA-N 1 1 310.781 3.392 20 5 DGBDMO C[NH2+]CCCNCc1ccc(-c2ccccc2[N+](=O)[O-])s1 ZINC000414858553 433889234 /nfs/dbraw/zinc/88/92/34/433889234.db2.gz JZAJWERHONVYJW-UHFFFAOYSA-N 1 1 305.403 3.022 20 5 DGBDMO CCc1nc(C[N@H+](C)CCc2ccccc2[N+](=O)[O-])cs1 ZINC000285468377 433958279 /nfs/dbraw/zinc/95/82/79/433958279.db2.gz ZYMOQIAFEWVWJT-UHFFFAOYSA-N 1 1 305.403 3.288 20 5 DGBDMO CCc1nc(C[N@@H+](C)CCc2ccccc2[N+](=O)[O-])cs1 ZINC000285468377 433958292 /nfs/dbraw/zinc/95/82/92/433958292.db2.gz ZYMOQIAFEWVWJT-UHFFFAOYSA-N 1 1 305.403 3.288 20 5 DGBDMO C[C@@H](C(=O)Nc1cccc([N+](=O)[O-])c1)[N@H+]1CCC[C@H](C)CC1 ZINC000357391299 433988553 /nfs/dbraw/zinc/98/85/53/433988553.db2.gz OHFVQGVUQNWOCJ-STQMWFEESA-N 1 1 305.378 3.044 20 5 DGBDMO O=[N+]([O-])c1ccccc1/C=C\CNC[C@@H]1[NH2+]CCc2ccccc21 ZINC000414961335 433939893 /nfs/dbraw/zinc/93/98/93/433939893.db2.gz VDJGSFGHPSTIFS-MTIYJEKLSA-N 1 1 323.396 3.085 20 5 DGBDMO C[C@@H]1CC[C@H](C)[N@@H+]1[C@@H]1CCCN(Cc2ccc([N+](=O)[O-])cc2)C1 ZINC000352298624 434032537 /nfs/dbraw/zinc/03/25/37/434032537.db2.gz ZOCPRQXFYIMQJQ-RVKKMQEKSA-N 1 1 317.433 3.432 20 5 DGBDMO Cc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@H+]1CCC[C@@H]1C1CC1 ZINC000363383825 434036495 /nfs/dbraw/zinc/03/64/95/434036495.db2.gz BCDAOIPUUKEECE-MRXNPFEDSA-N 1 1 317.389 3.106 20 5 DGBDMO Cc1cnc(N[C@H](C)C[N@@H+](C)Cc2ccccc2)c([N+](=O)[O-])c1 ZINC000309910024 434103121 /nfs/dbraw/zinc/10/31/21/434103121.db2.gz ROFFNCHYQPBHNC-CQSZACIVSA-N 1 1 314.389 3.231 20 5 DGBDMO COc1ccc(-c2ccc(C[N@@H+](C)C3CC3)o2)c([N+](=O)[O-])c1 ZINC000507119054 294283313 /nfs/dbraw/zinc/28/33/13/294283313.db2.gz FTTKNIBXYJGYQG-UHFFFAOYSA-N 1 1 302.330 3.458 20 5 DGBDMO COc1ccc(C[N@H+]2CCCCC[C@H]2C[C@H](C)O)cc1[N+](=O)[O-] ZINC000286035946 434145865 /nfs/dbraw/zinc/14/58/65/434145865.db2.gz QOKBLTZSFDGCKY-ZFWWWQNUSA-N 1 1 322.405 3.119 20 5 DGBDMO Cc1ccc([C@H](C)NCC[NH+]2CCCCCC2)cc1[N+](=O)[O-] ZINC000316176725 434184368 /nfs/dbraw/zinc/18/43/68/434184368.db2.gz VEQCJVCFDWTRHE-HNNXBMFYSA-N 1 1 305.422 3.430 20 5 DGBDMO C[N@@H+](Cc1ccc([N+](=O)[O-])cc1)[C@@H](CO)c1ccc(Cl)cc1 ZINC000295087643 434191556 /nfs/dbraw/zinc/19/15/56/434191556.db2.gz RDZLSIYUPUVLBJ-INIZCTEOSA-N 1 1 320.776 3.414 20 5 DGBDMO CC[N@H+]1C[C@H](C)N(Cc2ccc(Cl)cc2[N+](=O)[O-])C[C@@H]1C ZINC000346172636 434167595 /nfs/dbraw/zinc/16/75/95/434167595.db2.gz GCULEHSXYRPXEC-RYUDHWBXSA-N 1 1 311.813 3.163 20 5 DGBDMO CCC(C)(C)C[NH2+][C@H](c1nccn1C)c1cccc([N+](=O)[O-])c1 ZINC000353593386 434257752 /nfs/dbraw/zinc/25/77/52/434257752.db2.gz KVPJHBYHFZXMIV-HNNXBMFYSA-N 1 1 316.405 3.444 20 5 DGBDMO CCC[C@H](N[C@@H](C)[C@H]1CCC[NH2+]C1)c1cccc([N+](=O)[O-])c1 ZINC000423206388 434286297 /nfs/dbraw/zinc/28/62/97/434286297.db2.gz BYAURTLOWPIYOI-QRTARXTBSA-N 1 1 305.422 3.414 20 5 DGBDMO CC[C@H]1CCC[N@H+]1CCC(=O)Nc1cc([N+](=O)[O-])ccc1C ZINC000340674268 434289678 /nfs/dbraw/zinc/28/96/78/434289678.db2.gz FFJUIRUILAMDAH-ZDUSSCGKSA-N 1 1 305.378 3.106 20 5 DGBDMO CC(C)C[C@@H](CN)[NH2+][C@H]1CC(C)(C)c2ccc([N+](=O)[O-])cc21 ZINC000423272555 434328168 /nfs/dbraw/zinc/32/81/68/434328168.db2.gz ZDSCLTWEQJVAER-LRDDRELGSA-N 1 1 305.422 3.280 20 5 DGBDMO O=[N+]([O-])c1cccc(OCC[N@H+]2CCS[C@@H]3CCCC[C@H]32)c1 ZINC000437524044 434278498 /nfs/dbraw/zinc/27/84/98/434278498.db2.gz DIARMBRKVPHWLW-HZPDHXFCSA-N 1 1 322.430 3.334 20 5 DGBDMO C[C@H](CN[C@H]1CCCCc2ccc([N+](=O)[O-])cc21)C[NH+](C)C ZINC000417353444 434363719 /nfs/dbraw/zinc/36/37/19/434363719.db2.gz XHALQHYSTOLBJT-DYVFJYSZSA-N 1 1 305.422 3.150 20 5 DGBDMO O=[N+]([O-])c1cccc2c1CC[C@H]2[NH2+]Cc1cn2ccsc2n1 ZINC000518398092 294718423 /nfs/dbraw/zinc/71/84/23/294718423.db2.gz UWRQZXOUJMLSFF-CYBMUJFWSA-N 1 1 314.370 3.081 20 5 DGBDMO CC[NH+]1CCC(N[C@H]2CCCCc3ccc([N+](=O)[O-])cc32)CC1 ZINC000417302822 434351191 /nfs/dbraw/zinc/35/11/91/434351191.db2.gz BWBSMLPYMGIGRQ-SFHVURJKSA-N 1 1 317.433 3.436 20 5 DGBDMO COc1cc(C[N@@H+]2CC(C)(C)[C@@H]2C(C)C)c([N+](=O)[O-])cc1OC ZINC000353748890 434398859 /nfs/dbraw/zinc/39/88/59/434398859.db2.gz SQBDYCJNBAKLKC-INIZCTEOSA-N 1 1 322.405 3.478 20 5 DGBDMO COc1cc(C[N@H+]2CC(C)(C)[C@@H]2C(C)C)c([N+](=O)[O-])cc1OC ZINC000353748890 434398866 /nfs/dbraw/zinc/39/88/66/434398866.db2.gz SQBDYCJNBAKLKC-INIZCTEOSA-N 1 1 322.405 3.478 20 5 DGBDMO CCOc1ccc([C@@H](C)[NH2+][C@H](CN)C2CCCC2)cc1[N+](=O)[O-] ZINC000423512069 434463746 /nfs/dbraw/zinc/46/37/46/434463746.db2.gz UMRWFQBNLHFOEV-IUODEOHRSA-N 1 1 321.421 3.162 20 5 DGBDMO CCn1ccnc1[C@@H](C)[NH2+][C@@H]1CCc2c1cccc2[N+](=O)[O-] ZINC000521370514 294870030 /nfs/dbraw/zinc/87/00/30/294870030.db2.gz WEQWYIUBUOCKDR-BXUZGUMPSA-N 1 1 300.362 3.149 20 5 DGBDMO O=[N+]([O-])c1cc(Cl)ccc1C[N@H+]1CC[C@@H]([C@H]2CCOC2)C1 ZINC000366651115 434477265 /nfs/dbraw/zinc/47/72/65/434477265.db2.gz HJKWSXPITGAAIA-YPMHNXCESA-N 1 1 310.781 3.107 20 5 DGBDMO Cc1ccc([C@@H](C)[NH2+]C2C[C@H]3CC[C@@H](C2)[N@H+]3C)cc1[N+](=O)[O-] ZINC000296059265 434495719 /nfs/dbraw/zinc/49/57/19/434495719.db2.gz VSPJKDPFXPJMBN-OHRKKDJYSA-N 1 1 303.406 3.179 20 5 DGBDMO Cc1ccc([C@@H](C)[NH2+]C2C[C@H]3CC[C@@H](C2)N3C)cc1[N+](=O)[O-] ZINC000296059265 434495729 /nfs/dbraw/zinc/49/57/29/434495729.db2.gz VSPJKDPFXPJMBN-OHRKKDJYSA-N 1 1 303.406 3.179 20 5 DGBDMO C[C@@H]1Cc2[nH+]cn(CCOc3ccccc3[N+](=O)[O-])c2C[C@@H]1C ZINC000450994356 434520323 /nfs/dbraw/zinc/52/03/23/434520323.db2.gz CGGYCKCZJOTZFP-OLZOCXBDSA-N 1 1 315.373 3.241 20 5 DGBDMO C[C@@H]1Cc2[nH+]cn(CCOc3ccc([N+](=O)[O-])cc3)c2C[C@H]1C ZINC000450994835 434520491 /nfs/dbraw/zinc/52/04/91/434520491.db2.gz DMLLBOUEARYSAI-CHWSQXEVSA-N 1 1 315.373 3.241 20 5 DGBDMO CCC[N@@H+]1CCC[C@H]1CN[C@H]1CCCc2ccc([N+](=O)[O-])cc21 ZINC000353970488 434550876 /nfs/dbraw/zinc/55/08/76/434550876.db2.gz FAFTZBQNQIKVBB-WMZOPIPTSA-N 1 1 317.433 3.436 20 5 DGBDMO CCC[N@H+]1CCC[C@H]1CN[C@H]1CCCc2ccc([N+](=O)[O-])cc21 ZINC000353970488 434550883 /nfs/dbraw/zinc/55/08/83/434550883.db2.gz FAFTZBQNQIKVBB-WMZOPIPTSA-N 1 1 317.433 3.436 20 5 DGBDMO COC1(C(F)(F)F)CC[NH+](Cc2cccc([N+](=O)[O-])c2)CC1 ZINC000418090495 434584079 /nfs/dbraw/zinc/58/40/79/434584079.db2.gz KYYOKWRVVSEMRV-UHFFFAOYSA-N 1 1 318.295 3.138 20 5 DGBDMO C[C@]1(CCCO)CCC[N@H+]1C/C=C\c1ccccc1[N+](=O)[O-] ZINC000349153081 434620553 /nfs/dbraw/zinc/62/05/53/434620553.db2.gz REHVEUKTAMMFAK-RLXIPRIJSA-N 1 1 304.390 3.235 20 5 DGBDMO CCOC[C@H]1CCCC[N@H+]1Cc1ccc([N+](=O)[O-])c(OCC)c1 ZINC000459723966 434675799 /nfs/dbraw/zinc/67/57/99/434675799.db2.gz VXIFPDGWVWYQMB-OAHLLOKOSA-N 1 1 322.405 3.385 20 5 DGBDMO CCO[C@@H]1C[C@H]([N@H+](C)Cc2c(F)cccc2[N+](=O)[O-])C1(C)C ZINC000354224712 434676619 /nfs/dbraw/zinc/67/66/19/434676619.db2.gz OUSYZACQGXRWCN-LSDHHAIUSA-N 1 1 310.369 3.369 20 5 DGBDMO CCO[C@@H]1C[C@H]([N@@H+](C)Cc2c(F)cccc2[N+](=O)[O-])C1(C)C ZINC000354224712 434676624 /nfs/dbraw/zinc/67/66/24/434676624.db2.gz OUSYZACQGXRWCN-LSDHHAIUSA-N 1 1 310.369 3.369 20 5 DGBDMO COc1cc(NCC[N@@H+](C)Cc2ccccc2)ccc1[N+](=O)[O-] ZINC000360964960 434746752 /nfs/dbraw/zinc/74/67/52/434746752.db2.gz ZEUSEIKAQIKGHN-UHFFFAOYSA-N 1 1 315.373 3.147 20 5 DGBDMO O=[N+]([O-])c1ccc(C[N@H+]2CC[C@@H](C3CCOCC3)C2)c(Cl)c1 ZINC000371704945 434738598 /nfs/dbraw/zinc/73/85/98/434738598.db2.gz YYEKBSZMEPOFBJ-CYBMUJFWSA-N 1 1 324.808 3.497 20 5 DGBDMO O=[N+]([O-])c1cccc(C[N@H+]2CCC[C@H](C[C@@H]3CCOC3)C2)c1 ZINC000361026515 434771000 /nfs/dbraw/zinc/77/10/00/434771000.db2.gz BCJKMIVNFQFFPA-ZBFHGGJFSA-N 1 1 304.390 3.233 20 5 DGBDMO Cc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@@H+]1C[C@H](C)[C@@H](C)[C@H]1C ZINC000419377682 434780047 /nfs/dbraw/zinc/78/00/47/434780047.db2.gz VGABVIHVSHLAQV-BFHYXJOUSA-N 1 1 319.405 3.208 20 5 DGBDMO Cc1c(NC(=O)[C@H](C)[N@H+]2C[C@H](C)[C@@H](C)[C@@H]2C)cccc1[N+](=O)[O-] ZINC000419381377 434781324 /nfs/dbraw/zinc/78/13/24/434781324.db2.gz YJUABSWJRYNSGZ-XCCSTKFXSA-N 1 1 319.405 3.207 20 5 DGBDMO CC(C)c1ccc(CN2C[C@H](C)[N@@H+](C)C[C@@H]2C)cc1[N+](=O)[O-] ZINC000361155384 434814510 /nfs/dbraw/zinc/81/45/10/434814510.db2.gz PHUNHDHMHMHHOK-KBPBESRZSA-N 1 1 305.422 3.243 20 5 DGBDMO C[C@@H](C(=O)Nc1cccc([N+](=O)[O-])c1)[N@H+]1CC(C)(C)C[C@@H]1C ZINC000412042016 434859160 /nfs/dbraw/zinc/85/91/60/434859160.db2.gz MARULWYTVBMSLS-RYUDHWBXSA-N 1 1 305.378 3.042 20 5 DGBDMO Cn1cnc([N+](=O)[O-])c1C[N@H+]1CC[C@@H](CC(C)(C)C)C1(C)C ZINC000412042399 434859638 /nfs/dbraw/zinc/85/96/38/434859638.db2.gz VELJXZIYGWIKPV-LBPRGKRZSA-N 1 1 308.426 3.365 20 5 DGBDMO C[C@H]1CC(C)(C)C[N@H+]1Cc1nc(-c2ccc([N+](=O)[O-])cc2)no1 ZINC000412046212 434860926 /nfs/dbraw/zinc/86/09/26/434860926.db2.gz QRFHEKDYTCFGLP-NSHDSACASA-N 1 1 316.361 3.265 20 5 DGBDMO COc1cc(N2CCC(C[N@@H+](C)C(C)C)CC2)ccc1[N+](=O)[O-] ZINC000553152625 434880584 /nfs/dbraw/zinc/88/05/84/434880584.db2.gz ACRJXEZBSXNCJV-UHFFFAOYSA-N 1 1 321.421 3.160 20 5 DGBDMO CCC[N@@H+](C)C[C@@H]1CCN(c2cc(C)c([N+](=O)[O-])cc2F)C1 ZINC000461965022 434894314 /nfs/dbraw/zinc/89/43/14/434894314.db2.gz LTXXZFPZAZIEFT-ZDUSSCGKSA-N 1 1 309.385 3.210 20 5 DGBDMO Cc1cc(N2CC[C@@H](C[N@@H+](C)CC3CC3)C2)c(F)cc1[N+](=O)[O-] ZINC000461964798 434894352 /nfs/dbraw/zinc/89/43/52/434894352.db2.gz LBKLRROUYFWRKS-AWEZNQCLSA-N 1 1 321.396 3.210 20 5 DGBDMO C[NH+](C)C1(CN[C@@H]2CCc3c2cccc3[N+](=O)[O-])CCCC1 ZINC000573459268 434901518 /nfs/dbraw/zinc/90/15/18/434901518.db2.gz YKQONHJMOFQIEZ-OAHLLOKOSA-N 1 1 303.406 3.046 20 5 DGBDMO CC(C)c1ccc(C[N@H+](C)[C@@H]2CCN(C)C[C@H]2C)cc1[N+](=O)[O-] ZINC000573486989 434902577 /nfs/dbraw/zinc/90/25/77/434902577.db2.gz DIIXBUDLWRORBA-RHSMWYFYSA-N 1 1 319.449 3.490 20 5 DGBDMO CC(C)c1ccc(C[N@@H+](C)[C@@H]2CCN(C)C[C@H]2C)cc1[N+](=O)[O-] ZINC000573486989 434902579 /nfs/dbraw/zinc/90/25/79/434902579.db2.gz DIIXBUDLWRORBA-RHSMWYFYSA-N 1 1 319.449 3.490 20 5 DGBDMO CCC[N@@H+](C/C=C\c1ccccc1[N+](=O)[O-])CCCN(C)C ZINC000554883317 434949879 /nfs/dbraw/zinc/94/98/79/434949879.db2.gz BPIQNICYMKKIRB-YFHOEESVSA-N 1 1 305.422 3.272 20 5 DGBDMO CCC[N@H+](C/C=C\c1ccccc1[N+](=O)[O-])CCCN(C)C ZINC000554883317 434949884 /nfs/dbraw/zinc/94/98/84/434949884.db2.gz BPIQNICYMKKIRB-YFHOEESVSA-N 1 1 305.422 3.272 20 5 DGBDMO CCCc1nc(C)c(C[NH2+]Cc2ccc(C)c([N+](=O)[O-])c2)o1 ZINC000492377922 434971379 /nfs/dbraw/zinc/97/13/79/434971379.db2.gz RHYBIYDUOCEWCF-UHFFFAOYSA-N 1 1 303.362 3.442 20 5 DGBDMO CCOc1cc(C[N@H+]2CCCC[C@H]2[C@H](O)CC)ccc1[N+](=O)[O-] ZINC000492462278 434987353 /nfs/dbraw/zinc/98/73/53/434987353.db2.gz MMUZAWLYBJHHDY-GOEBONIOSA-N 1 1 322.405 3.119 20 5 DGBDMO COc1ccc(C[N@H+]2CC[C@@H]2Cc2ccccc2)cc1[N+](=O)[O-] ZINC000531233361 435079848 /nfs/dbraw/zinc/07/98/48/435079848.db2.gz HDSNHZDXYXUISJ-MRXNPFEDSA-N 1 1 312.369 3.420 20 5 DGBDMO Cc1ccc([N+](=O)[O-])cc1[C@@H](C)[NH2+]Cc1cn2ccsc2n1 ZINC000532205070 435148673 /nfs/dbraw/zinc/14/86/73/435148673.db2.gz OFEYPYRHVGTZDS-LLVKDONJSA-N 1 1 316.386 3.463 20 5 DGBDMO C[C@@H]1C[N@H+]2CCCC[C@H]2CN1Cc1c(Cl)cccc1[N+](=O)[O-] ZINC000493060038 435100665 /nfs/dbraw/zinc/10/06/65/435100665.db2.gz VMAGYPQPYDQZNG-OLZOCXBDSA-N 1 1 323.824 3.307 20 5 DGBDMO CC1(C)C[NH+](CC(=O)Nc2ccccc2[N+](=O)[O-])CC(C)(C)C1 ZINC000466928278 435100611 /nfs/dbraw/zinc/10/06/11/435100611.db2.gz BBOCDGRBPVFCKV-UHFFFAOYSA-N 1 1 319.405 3.291 20 5 DGBDMO CC[C@@H]1C[C@H](C)C[N@H+]1CCOc1ccc(OC)cc1[N+](=O)[O-] ZINC000466931584 435100892 /nfs/dbraw/zinc/10/08/92/435100892.db2.gz XCKAUAWHMBJQKG-QWHCGFSZSA-N 1 1 308.378 3.103 20 5 DGBDMO CC[C@H]1C[C@@H](C)C[N@H+]1CCC(=O)Nc1ccc([N+](=O)[O-])cc1C ZINC000467205090 435111378 /nfs/dbraw/zinc/11/13/78/435111378.db2.gz FYXFBZZXKALHRD-OCCSQVGLSA-N 1 1 319.405 3.352 20 5 DGBDMO C[C@@H](N[C@@H](C)C[NH+]1CCC(C)CC1)c1ccc([N+](=O)[O-])cc1 ZINC000579375328 435150436 /nfs/dbraw/zinc/15/04/36/435150436.db2.gz FJPGRLYUZMFAGS-LSDHHAIUSA-N 1 1 305.422 3.366 20 5 DGBDMO Cc1cccc([N+](=O)[O-])c1NC(=O)C[N@H+](C)[C@H]1CCC[C@H](C)C1 ZINC000532927373 435200898 /nfs/dbraw/zinc/20/08/98/435200898.db2.gz DMYOGLUZAWPIAX-JSGCOSHPSA-N 1 1 319.405 3.352 20 5 DGBDMO C[N@@H+]1Cc2ccccc2[C@@H](Nc2ccc(F)cc2[N+](=O)[O-])C1 ZINC000533820992 435258174 /nfs/dbraw/zinc/25/81/74/435258174.db2.gz WQNXGEZVJNZRGV-HNNXBMFYSA-N 1 1 301.321 3.333 20 5 DGBDMO CCC(=O)c1ccc(N[C@@H]2C[C@@H](C)[N@H+](C3CC3)C2)c([N+](=O)[O-])c1 ZINC000480043022 435362000 /nfs/dbraw/zinc/36/20/00/435362000.db2.gz JWIYLGUIBRJQKJ-DGCLKSJQSA-N 1 1 317.389 3.225 20 5 DGBDMO C[C@@H]1CN(C)[C@H](C)C[C@H]1[NH2+]CCCCc1ccc([N+](=O)[O-])cc1 ZINC000536867825 435416739 /nfs/dbraw/zinc/41/67/39/435416739.db2.gz FJIOSDRFIUNMBH-IIDMSEBBSA-N 1 1 319.449 3.236 20 5 DGBDMO C[C@H]1C[N@@H+](C/C=C\c2ccccc2[N+](=O)[O-])CC2(CCC2)O1 ZINC000567906022 435369443 /nfs/dbraw/zinc/36/94/43/435369443.db2.gz ATJSIXUKKURRAQ-ZBKLQPJUSA-N 1 1 302.374 3.251 20 5 DGBDMO CCC[N@@H+](CCC(=O)Nc1cc([N+](=O)[O-])ccc1OC)C(C)C ZINC000568527987 435444824 /nfs/dbraw/zinc/44/48/24/435444824.db2.gz GYIRZVCPWWHAAO-UHFFFAOYSA-N 1 1 323.393 3.052 20 5 DGBDMO CCCC[C@@H](C)[N@@H+](C)CC(=O)N(C)c1ccc([N+](=O)[O-])cc1 ZINC000568697770 435461501 /nfs/dbraw/zinc/46/15/01/435461501.db2.gz ATTRAYJCMVVRBH-CYBMUJFWSA-N 1 1 307.394 3.068 20 5 DGBDMO CCC[N@@H+]1CCC[C@H]1CN[C@H]1CCc2c1cccc2[N+](=O)[O-] ZINC000515311502 435474997 /nfs/dbraw/zinc/47/49/97/435474997.db2.gz MFYWOWBZCOAJSP-BBRMVZONSA-N 1 1 303.406 3.046 20 5 DGBDMO CCC[N@H+]1CCC[C@H]1CN[C@H]1CCc2c1cccc2[N+](=O)[O-] ZINC000515311502 435475002 /nfs/dbraw/zinc/47/50/02/435475002.db2.gz MFYWOWBZCOAJSP-BBRMVZONSA-N 1 1 303.406 3.046 20 5 DGBDMO COc1ccc(OCC[N@H+]2CCCC[C@@H](C)C2)c([N+](=O)[O-])c1 ZINC000481617634 435437479 /nfs/dbraw/zinc/43/74/79/435437479.db2.gz VQTJPOHAGOOYAL-CYBMUJFWSA-N 1 1 308.378 3.104 20 5 DGBDMO CC[C@H](C[N@@H+](CC)CCn1ccc([N+](=O)[O-])n1)c1ccccc1 ZINC000481761955 435441417 /nfs/dbraw/zinc/44/14/17/435441417.db2.gz RTSUEZCZNLCDKO-OAHLLOKOSA-N 1 1 316.405 3.307 20 5 DGBDMO CC(C)(C)[C@H]1CCC[N@@H+](CC(=O)Nc2ccccc2[N+](=O)[O-])C1 ZINC000483245085 435503923 /nfs/dbraw/zinc/50/39/23/435503923.db2.gz GZHGMRDJXSYFOF-ZDUSSCGKSA-N 1 1 319.405 3.291 20 5 DGBDMO COc1ccc(C[N@@H+]2CCc3cc(C)ccc3C2)cc1[N+](=O)[O-] ZINC000483655058 435526748 /nfs/dbraw/zinc/52/67/48/435526748.db2.gz CUFBJWIFQBWCPH-UHFFFAOYSA-N 1 1 312.369 3.470 20 5 DGBDMO COc1ccc(C[N@H+]2CCc3cc(C)ccc3C2)cc1[N+](=O)[O-] ZINC000483655058 435526755 /nfs/dbraw/zinc/52/67/55/435526755.db2.gz CUFBJWIFQBWCPH-UHFFFAOYSA-N 1 1 312.369 3.470 20 5 DGBDMO CCC[C@]1(CO)CC[N@@H+](C/C(C)=C\c2cccc([N+](=O)[O-])c2)C1 ZINC000569392522 435529091 /nfs/dbraw/zinc/52/90/91/435529091.db2.gz OKPUUFPZANKHMM-BXBOZWQASA-N 1 1 318.417 3.483 20 5 DGBDMO CC[C@@H](C)C[N@@H+](CC)CC(=O)Nc1c(C)cccc1[N+](=O)[O-] ZINC000482843546 435483267 /nfs/dbraw/zinc/48/32/67/435483267.db2.gz NSTLTHRYORPDOS-GFCCVEGCSA-N 1 1 307.394 3.210 20 5 DGBDMO CC[N@@H+]1CCCC[C@H]1CN[C@H](C)c1cccc([N+](=O)[O-])c1C ZINC000482866022 435485374 /nfs/dbraw/zinc/48/53/74/435485374.db2.gz DTTBFNPZJRTJEE-CABCVRRESA-N 1 1 305.422 3.428 20 5 DGBDMO CC[N@H+]1CCCC[C@H]1CN[C@H](C)c1cccc([N+](=O)[O-])c1C ZINC000482866022 435485379 /nfs/dbraw/zinc/48/53/79/435485379.db2.gz DTTBFNPZJRTJEE-CABCVRRESA-N 1 1 305.422 3.428 20 5 DGBDMO CC[N@@H+]1CCCC[C@H]1CN[C@@H](C)c1ccc(C)c([N+](=O)[O-])c1 ZINC000482864343 435485624 /nfs/dbraw/zinc/48/56/24/435485624.db2.gz AQXTYVGAJQNWQV-HOCLYGCPSA-N 1 1 305.422 3.428 20 5 DGBDMO CC[N@H+]1CCCC[C@H]1CN[C@@H](C)c1ccc(C)c([N+](=O)[O-])c1 ZINC000482864343 435485631 /nfs/dbraw/zinc/48/56/31/435485631.db2.gz AQXTYVGAJQNWQV-HOCLYGCPSA-N 1 1 305.422 3.428 20 5 DGBDMO Cc1ccc([N+](=O)[O-])cc1[C@H](C)N1CC[N@@H+](C)[C@H](C(C)C)C1 ZINC000487989659 435630952 /nfs/dbraw/zinc/63/09/52/435630952.db2.gz AMOQDTFOLZKSST-YOEHRIQHSA-N 1 1 305.422 3.236 20 5 DGBDMO C[C@H]1CN(c2ccc(F)cc2[N+](=O)[O-])CC[N@H+](C2CCC2)C1 ZINC000488736073 435643180 /nfs/dbraw/zinc/64/31/80/435643180.db2.gz QOFFQQFDTHUGCR-GFCCVEGCSA-N 1 1 307.369 3.045 20 5 DGBDMO Cc1ccc([N+](=O)[O-])c(N2CC[N@H+](C3CCC3)C[C@@H](C)C2)c1 ZINC000488717991 435639708 /nfs/dbraw/zinc/63/97/08/435639708.db2.gz UAWVUTVIFLMSMS-CQSZACIVSA-N 1 1 303.406 3.214 20 5 DGBDMO CS[C@@H]1CCCC[N@H+](Cc2nc3cc([N+](=O)[O-])ccc3[nH]2)C1 ZINC000548180223 435676345 /nfs/dbraw/zinc/67/63/45/435676345.db2.gz SYDVEZCTLIJFQI-GFCCVEGCSA-N 1 1 320.418 3.189 20 5 DGBDMO CS[C@@H]1CCCC[N@@H+](Cc2nc3cc([N+](=O)[O-])ccc3[nH]2)C1 ZINC000548180223 435676351 /nfs/dbraw/zinc/67/63/51/435676351.db2.gz SYDVEZCTLIJFQI-GFCCVEGCSA-N 1 1 320.418 3.189 20 5 DGBDMO C[C@@H](CN[C@H]1CCc2c1cccc2[N+](=O)[O-])[NH+]1CCC(C)CC1 ZINC000571536372 435713918 /nfs/dbraw/zinc/71/39/18/435713918.db2.gz FXQHLJNWSCOADV-YOEHRIQHSA-N 1 1 317.433 3.292 20 5 DGBDMO O=[N+]([O-])c1ccc(NCc2c[nH+]c3n2CCCC3)c2cccnc21 ZINC000572099825 435780725 /nfs/dbraw/zinc/78/07/25/435780725.db2.gz PZBVPQVEQYMRPF-UHFFFAOYSA-N 1 1 323.356 3.288 20 5 DGBDMO C[C@@H](C[NH+]1CCC(C)CC1)N[C@H]1CCc2c1cccc2[N+](=O)[O-] ZINC000572900435 435880842 /nfs/dbraw/zinc/88/08/42/435880842.db2.gz DYNKCQLLENXMRC-YOEHRIQHSA-N 1 1 317.433 3.292 20 5 DGBDMO CCC(=O)c1ccc(NC[C@H]2CC[N@H+](C(C)C)C2)c([N+](=O)[O-])c1 ZINC000530370073 313361633 /nfs/dbraw/zinc/36/16/33/313361633.db2.gz RPINRTXSORZNSA-CYBMUJFWSA-N 1 1 319.405 3.330 20 5 DGBDMO CCC[C@@H]1CCCC[N@H+]1CC(=O)Nc1cc([N+](=O)[O-])ccc1C ZINC000544529526 314196802 /nfs/dbraw/zinc/19/68/02/314196802.db2.gz HYAMTLCBJJUMIZ-CQSZACIVSA-N 1 1 319.405 3.496 20 5 DGBDMO Cc1c(C[N@H+]2CCC[C@H]2[C@@H]2CCCOC2)cccc1[N+](=O)[O-] ZINC000564326548 315169783 /nfs/dbraw/zinc/16/97/83/315169783.db2.gz JMASEQRFEIPSSS-WBVHZDCISA-N 1 1 304.390 3.294 20 5 DGBDMO C[N@@H+](CCc1ccccc1[N+](=O)[O-])CC1Cc2ccccc2C1 ZINC000564507386 315179871 /nfs/dbraw/zinc/17/98/71/315179871.db2.gz VABBWWWJYPPCAH-UHFFFAOYSA-N 1 1 310.397 3.484 20 5 DGBDMO O=[N+]([O-])c1ccc(C[N@H+](C[C@@H]2CCCC[C@H]2O)C2CC2)cc1 ZINC000565988846 315302729 /nfs/dbraw/zinc/30/27/29/315302729.db2.gz GKOTTZZSHODCCE-WMLDXEAASA-N 1 1 304.390 3.110 20 5 DGBDMO C/C(=C/c1cccc([N+](=O)[O-])c1)CNC[C@H]1CC[N@@H+](C(C)C)C1 ZINC000576742576 316162107 /nfs/dbraw/zinc/16/21/07/316162107.db2.gz VKUCKXQHLJBEFH-BAPRJRNISA-N 1 1 317.433 3.318 20 5 DGBDMO C/C(=C/c1cccc([N+](=O)[O-])c1)CNC[C@H]1CC[N@H+](C(C)C)C1 ZINC000576742576 316162110 /nfs/dbraw/zinc/16/21/10/316162110.db2.gz VKUCKXQHLJBEFH-BAPRJRNISA-N 1 1 317.433 3.318 20 5 DGBDMO CCCC[N@H+](C)CCN[C@H]1CCCc2ccc([N+](=O)[O-])cc21 ZINC000577050606 316196319 /nfs/dbraw/zinc/19/63/19/316196319.db2.gz CIIYJIXAUWYNGG-KRWDZBQOSA-N 1 1 305.422 3.294 20 5 DGBDMO CCCC[N@@H+](C)CCN[C@H]1CCCc2ccc([N+](=O)[O-])cc21 ZINC000577050606 316196323 /nfs/dbraw/zinc/19/63/23/316196323.db2.gz CIIYJIXAUWYNGG-KRWDZBQOSA-N 1 1 305.422 3.294 20 5 DGBDMO Cc1ccc(NC(=O)[C@@H](c2ccccc2)[NH+](C)C)cc1[N+](=O)[O-] ZINC000194712816 323480372 /nfs/dbraw/zinc/48/03/72/323480372.db2.gz ZBFMRQYRJWGCIB-MRXNPFEDSA-N 1 1 313.357 3.145 20 5 DGBDMO CC(C)([NH2+]Cc1ccc2nc[nH]c2c1)c1ccccc1[N+](=O)[O-] ZINC000581584104 324133088 /nfs/dbraw/zinc/13/30/88/324133088.db2.gz TUCFAARUAPSFNP-UHFFFAOYSA-N 1 1 310.357 3.496 20 5 DGBDMO O=[N+]([O-])c1ccc([C@@H]2CCC[N@H+](C[C@@H]3CCCC[C@@H]3O)C2)cc1 ZINC000582847907 324283852 /nfs/dbraw/zinc/28/38/52/324283852.db2.gz CEGMSBUWYCDXGX-RYRKJORJSA-N 1 1 318.417 3.325 20 5 DGBDMO C[C@@H]1CCC[C@@H]([N@@H+](C)Cc2nc3cc([N+](=O)[O-])ccc3[nH]2)C1 ZINC000444590690 533761715 /nfs/dbraw/zinc/76/17/15/533761715.db2.gz MFYDDNITOHUQEU-VXGBXAGGSA-N 1 1 302.378 3.482 20 5 DGBDMO Cc1ccc(CN2CC[N@H+]([C@@H]3C[C@H]3C)C[C@H](C)C2)cc1[N+](=O)[O-] ZINC000430119371 533932876 /nfs/dbraw/zinc/93/28/76/533932876.db2.gz GFVBRQYYOMIYPK-FRFSOERESA-N 1 1 317.433 3.065 20 5 DGBDMO Cc1cc(NCc2n[nH]c(C3CC3)n2)c2cc([N+](=O)[O-])ccc2[nH+]1 ZINC000295033739 534001311 /nfs/dbraw/zinc/00/13/11/534001311.db2.gz VWXZIGIITWPGEU-UHFFFAOYSA-N 1 1 324.344 3.059 20 5 DGBDMO CS[C@H]1CCCC[N@@H+](CCOc2ccc([N+](=O)[O-])cc2)C1 ZINC000441101178 534086258 /nfs/dbraw/zinc/08/62/58/534086258.db2.gz JNDROHQWOQNAJH-HNNXBMFYSA-N 1 1 310.419 3.191 20 5 DGBDMO Cc1[nH+]ccn1-c1ccc(NCc2ccc([N+](=O)[O-])cc2)cn1 ZINC000320102031 534766100 /nfs/dbraw/zinc/76/61/00/534766100.db2.gz VYFVUEGPHROQGE-UHFFFAOYSA-N 1 1 309.329 3.096 20 5 DGBDMO CCN(C/C=C\c1ccccc1[N+](=O)[O-])[C@H]1CCC[NH2+]CC1 ZINC000435389973 527870837 /nfs/dbraw/zinc/87/08/37/527870837.db2.gz NRBZIAXWYXSQLY-IOBAAEILSA-N 1 1 303.406 3.072 20 5 DGBDMO CC[N@@H+](CCNc1ccnc2c1cccc2[N+](=O)[O-])C(C)C ZINC000432323897 528519315 /nfs/dbraw/zinc/51/93/15/528519315.db2.gz DUMREWUOPZQSPG-UHFFFAOYSA-N 1 1 302.378 3.285 20 5 DGBDMO CC(C)[N@@H+](C)CCCNc1cc(C(F)(F)F)ncc1[N+](=O)[O-] ZINC000318704819 528818221 /nfs/dbraw/zinc/81/82/21/528818221.db2.gz HZDBAMGZXJZJTD-UHFFFAOYSA-N 1 1 320.315 3.151 20 5 DGBDMO CC1(C)CC[N@@H+](CCOc2cccc([N+](=O)[O-])c2)CCS1 ZINC000434714495 529010425 /nfs/dbraw/zinc/01/04/25/529010425.db2.gz QNPYSKDSGVRUCV-UHFFFAOYSA-N 1 1 310.419 3.191 20 5 DGBDMO CC1(C)CC[N@@H+](CCOc2ccccc2[N+](=O)[O-])CCS1 ZINC000434672691 529011628 /nfs/dbraw/zinc/01/16/28/529011628.db2.gz ZKDNDUBHTCEWPR-UHFFFAOYSA-N 1 1 310.419 3.191 20 5 DGBDMO CC(C)[N@@H+]1C[C@H](Nc2ccc([N+](=O)[O-])c3ncccc23)[C@@H](C)C1 ZINC000413184732 529107025 /nfs/dbraw/zinc/10/70/25/529107025.db2.gz KHWLQANZCKARLA-WFASDCNBSA-N 1 1 314.389 3.284 20 5 DGBDMO CC[C@@H]([NH2+]Cc1ccc([N+](=O)[O-])cc1OC)c1c(C)noc1C ZINC000430218519 529184690 /nfs/dbraw/zinc/18/46/90/529184690.db2.gz MDWLKJBERJQKEU-CQSZACIVSA-N 1 1 319.361 3.449 20 5 DGBDMO CCC[N@@H+]1CC[C@@H](CNC/C(C)=C/c2cccc([N+](=O)[O-])c2)C1 ZINC000468627735 534947676 /nfs/dbraw/zinc/94/76/76/534947676.db2.gz ODYUWUDGEZMBSS-OBHPCNEJSA-N 1 1 317.433 3.320 20 5 DGBDMO CCC[N@H+]1CC[C@@H](CNC/C(C)=C/c2cccc([N+](=O)[O-])c2)C1 ZINC000468627735 534947680 /nfs/dbraw/zinc/94/76/80/534947680.db2.gz ODYUWUDGEZMBSS-OBHPCNEJSA-N 1 1 317.433 3.320 20 5 DGBDMO CCOc1cccc(C[NH2+][C@@H](C)c2ccc([N+](=O)[O-])cc2)n1 ZINC000449347784 535462664 /nfs/dbraw/zinc/46/26/64/535462664.db2.gz IYGQQCGUAUNFKW-LBPRGKRZSA-N 1 1 301.346 3.239 20 5 DGBDMO CC[NH+](CC)C[C@H](C)NC/C(C)=C\c1cccc([N+](=O)[O-])c1 ZINC000468630267 535589207 /nfs/dbraw/zinc/58/92/07/535589207.db2.gz OETXZYOJLLJSDH-LTBFUDJGSA-N 1 1 305.422 3.318 20 5 DGBDMO CO[C@H]1CC[N@@H+](Cc2cc([N+](=O)[O-])ccc2OC(C)C)C[C@@H]1C ZINC000451551551 536749760 /nfs/dbraw/zinc/74/97/60/536749760.db2.gz WKTIDLSDQACJBT-BBRMVZONSA-N 1 1 322.405 3.239 20 5 DGBDMO COc1ccc(-c2ccc(C[N@@H+]3CC[C@H](F)C3)o2)c([N+](=O)[O-])c1 ZINC000449390264 536896249 /nfs/dbraw/zinc/89/62/49/536896249.db2.gz VPNAIJCRYDYBQA-NSHDSACASA-N 1 1 320.320 3.407 20 5 DGBDMO COc1ccc(-c2ccc(C[N@H+]3CC[C@H](F)C3)o2)c([N+](=O)[O-])c1 ZINC000449390264 536896251 /nfs/dbraw/zinc/89/62/51/536896251.db2.gz VPNAIJCRYDYBQA-NSHDSACASA-N 1 1 320.320 3.407 20 5 DGBDMO C[C@H]1CCC[C@H](C)[N@@H+](Cn2ncc3ccc([N+](=O)[O-])cc32)C1 ZINC000742155436 574842218 /nfs/dbraw/zinc/84/22/18/574842218.db2.gz RMVKDBUAEXEADD-STQMWFEESA-N 1 1 302.378 3.413 20 5 DGBDMO CC[N@@H+](Cn1cc(-c2ccc([N+](=O)[O-])cc2)cn1)C1CCC1 ZINC000738053327 574858277 /nfs/dbraw/zinc/85/82/77/574858277.db2.gz KNBKSOZLXHEUKN-UHFFFAOYSA-N 1 1 300.362 3.290 20 5 DGBDMO C[C@@H]1C[C@H](C)[N@@H+](Cn2cc(-c3ccc([N+](=O)[O-])cc3)cn2)C1 ZINC000740859991 574943805 /nfs/dbraw/zinc/94/38/05/574943805.db2.gz ODVFPBJHONCMDU-OLZOCXBDSA-N 1 1 300.362 3.146 20 5 DGBDMO CC(C)Oc1ccc([N+](=O)[O-])cc1CO[NH+]=C(N)CC1CC1 ZINC000742365608 574992519 /nfs/dbraw/zinc/99/25/19/574992519.db2.gz YDQPFQIKQLPPHW-UHFFFAOYSA-N 1 1 307.350 3.181 20 5 DGBDMO C[C@@H]1C[C@H](Nc2nc3ccc([N+](=O)[O-])cc3s2)CC[N@H+]1C ZINC000742412027 574997997 /nfs/dbraw/zinc/99/79/97/574997997.db2.gz MQOUTGXCWLRTRQ-NXEZZACHSA-N 1 1 306.391 3.099 20 5 DGBDMO CC[C@]1(C)CCC[N@@H+](Cn2ncc3cc([N+](=O)[O-])ccc32)C1 ZINC000743390126 575048895 /nfs/dbraw/zinc/04/88/95/575048895.db2.gz ZUQPDXZSHUFWGI-MRXNPFEDSA-N 1 1 302.378 3.414 20 5 DGBDMO CC1(C)CC[N@@H+](Cn2cc(-c3ccc([N+](=O)[O-])cc3)cn2)C1 ZINC000743390496 575049071 /nfs/dbraw/zinc/04/90/71/575049071.db2.gz LQIUDIFKCQTOQM-UHFFFAOYSA-N 1 1 300.362 3.148 20 5 DGBDMO Cc1cc(F)ccc1[C@H](O)C[N@H+](C)Cc1ccccc1[N+](=O)[O-] ZINC000746654245 575467160 /nfs/dbraw/zinc/46/71/60/575467160.db2.gz IAXKMRPDOIBKLF-QGZVFWFLSA-N 1 1 318.348 3.208 20 5 DGBDMO CO[C@@H](C)C[N@@H+](Cc1cc(Cl)ccc1[N+](=O)[O-])C(C)C ZINC000746676071 575469697 /nfs/dbraw/zinc/46/96/97/575469697.db2.gz ZLQSCDIFLQTCKO-NSHDSACASA-N 1 1 300.786 3.494 20 5 DGBDMO NC(CCc1ccccc1)=[NH+]OCc1ccc([N+](=O)[O-])cc1F ZINC000747831006 575544856 /nfs/dbraw/zinc/54/48/56/575544856.db2.gz ADONBHCWHUMVFA-UHFFFAOYSA-N 1 1 317.320 3.365 20 5 DGBDMO CCc1ccc(C[N@@H+](C)C[C@H](O)c2cccc([N+](=O)[O-])c2)cc1 ZINC000749645974 575670632 /nfs/dbraw/zinc/67/06/32/575670632.db2.gz JEYZBRWZACZZGH-SFHVURJKSA-N 1 1 314.385 3.323 20 5 DGBDMO O=[N+]([O-])c1cccc([C@@H](O)C[N@@H+]2CC[C@@H]2c2cccc(F)c2)c1 ZINC000750072784 575702243 /nfs/dbraw/zinc/70/22/43/575702243.db2.gz QYMSIMSAFFKGNB-SJORKVTESA-N 1 1 316.332 3.214 20 5 DGBDMO O=[N+]([O-])c1cccc([C@@H](O)C[N@H+]2CC[C@@H]2c2cccc(F)c2)c1 ZINC000750072784 575702245 /nfs/dbraw/zinc/70/22/45/575702245.db2.gz QYMSIMSAFFKGNB-SJORKVTESA-N 1 1 316.332 3.214 20 5 DGBDMO CC[N@H+]1CC[C@H]2CC[C@@H](C1)N2Cc1cc(Cl)ccc1[N+](=O)[O-] ZINC000751483343 575786692 /nfs/dbraw/zinc/78/66/92/575786692.db2.gz VMXNISKKZHRACU-CABCVRRESA-N 1 1 323.824 3.307 20 5 DGBDMO CC(C)CO[C@H]1CC[N@H+](Cc2ccc(Cl)c([N+](=O)[O-])c2)C1 ZINC000154319330 620660716 /nfs/dbraw/zinc/66/07/16/620660716.db2.gz XRRXNGVQUWEWNB-ZDUSSCGKSA-N 1 1 312.797 3.495 20 5 DGBDMO CC(C)CO[C@H]1CC[N@@H+](Cc2ccc(Cl)c([N+](=O)[O-])c2)C1 ZINC000154319330 620660717 /nfs/dbraw/zinc/66/07/17/620660717.db2.gz XRRXNGVQUWEWNB-ZDUSSCGKSA-N 1 1 312.797 3.495 20 5 DGBDMO C[C@H]1CCCCC[N@H+]1Cn1cc([N+](=O)[O-])c(-c2ccccn2)n1 ZINC000853499763 620702604 /nfs/dbraw/zinc/70/26/04/620702604.db2.gz UGAKBWONWLSXNL-ZDUSSCGKSA-N 1 1 315.377 3.075 20 5 DGBDMO CC1C[C@H]2CC[C@@H](C1)[N@@H+]2Cn1ncc2ccc([N+](=O)[O-])cc21 ZINC000853605882 620714945 /nfs/dbraw/zinc/71/49/45/620714945.db2.gz NJYPBJRWCLEHGE-QXMXGUDHSA-N 1 1 300.362 3.165 20 5 DGBDMO CC(=O)c1ccc([N+](=O)[O-])cc1NC[C@H]1CC[N@H+]1C(C)(C)C ZINC000853748654 620732351 /nfs/dbraw/zinc/73/23/51/620732351.db2.gz PVIFGGSBFINPNY-CYBMUJFWSA-N 1 1 305.378 3.082 20 5 DGBDMO CC(C)(C)[N@H+]1CC[C@@H](CNc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])C1 ZINC000853747645 620732586 /nfs/dbraw/zinc/73/25/86/620732586.db2.gz WBOCKABMDMVWHO-NSHDSACASA-N 1 1 322.365 3.035 20 5 DGBDMO CC(C)(C)[N@H+]1CC[C@H](CNc2c([N+](=O)[O-])cccc2[N+](=O)[O-])C1 ZINC000853746272 620732645 /nfs/dbraw/zinc/73/26/45/620732645.db2.gz HOXZGLKDJMYKJP-LLVKDONJSA-N 1 1 322.365 3.035 20 5 DGBDMO COc1c(O)ccc(C[N@H+](C)Cc2ccc(C)cc2)c1[N+](=O)[O-] ZINC000891473532 617809119 /nfs/dbraw/zinc/80/91/19/617809119.db2.gz FMQCLMRQGWTXCR-UHFFFAOYSA-N 1 1 316.357 3.249 20 5 DGBDMO COc1c(O)ccc(C[N@@H+](C)Cc2ccc(C)cc2)c1[N+](=O)[O-] ZINC000891473532 617809123 /nfs/dbraw/zinc/80/91/23/617809123.db2.gz FMQCLMRQGWTXCR-UHFFFAOYSA-N 1 1 316.357 3.249 20 5 DGBDMO COc1c(O)ccc(C[N@H+]2CCC[C@H]2C2CCC2)c1[N+](=O)[O-] ZINC000891870814 617916016 /nfs/dbraw/zinc/91/60/16/617916016.db2.gz RUVYJTRZQSZLJN-ZDUSSCGKSA-N 1 1 306.362 3.074 20 5 DGBDMO COC1CCC(C[N@H+]2CCc3c(cccc3[N+](=O)[O-])C2)CC1 ZINC000892053634 617952477 /nfs/dbraw/zinc/95/24/77/617952477.db2.gz XMJNMYSWEYSVDT-UHFFFAOYSA-N 1 1 304.390 3.158 20 5 DGBDMO CC(C)(C)[C@@H]([NH2+]Cn1cc([N+](=O)[O-])cn1)c1ccc(F)cc1 ZINC000919941221 620773107 /nfs/dbraw/zinc/77/31/07/620773107.db2.gz BXUOPUVDKUIZRC-AWEZNQCLSA-N 1 1 306.341 3.265 20 5 DGBDMO O=[N+]([O-])c1cnn(C[N@@H+]2CCC[C@H]2Cc2ccccc2Cl)c1 ZINC000919954912 620773842 /nfs/dbraw/zinc/77/38/42/620773842.db2.gz TVKLXDMLVZLOIO-ZDUSSCGKSA-N 1 1 320.780 3.109 20 5 DGBDMO O=[N+]([O-])c1cnn(C[N@H+]2CCC[C@H]2Cc2ccccc2Cl)c1 ZINC000919954912 620773845 /nfs/dbraw/zinc/77/38/45/620773845.db2.gz TVKLXDMLVZLOIO-ZDUSSCGKSA-N 1 1 320.780 3.109 20 5 DGBDMO C/C(=C/c1cccc([N+](=O)[O-])c1)C[N@H+]1C[C@@H]2CSC[C@@H]2C1 ZINC000895779919 618831844 /nfs/dbraw/zinc/83/18/44/618831844.db2.gz VMLUQOHVDRWCEM-QDPHKQGLSA-N 1 1 304.415 3.293 20 5 DGBDMO C/C(=C\c1cccc([N+](=O)[O-])c1)C[N@H+]1CC[C@H]([C@@H]2CCCO2)C1 ZINC000895843291 618838000 /nfs/dbraw/zinc/83/80/00/618838000.db2.gz ATIXFEQVTUIWQK-WJANQJKRSA-N 1 1 316.401 3.499 20 5 DGBDMO C[C@H]([NH2+]Cc1ccccc1[N+](=O)[O-])c1ccnn1CC1CCC1 ZINC000925309507 619157977 /nfs/dbraw/zinc/15/79/77/619157977.db2.gz DZSBTBIFMUDPBV-ZDUSSCGKSA-N 1 1 314.389 3.442 20 5 DGBDMO [NH3+][C@@H]1c2ccccc2C[C@H]1N[C@H]1CCCc2ccc([N+](=O)[O-])cc21 ZINC000902435530 619635839 /nfs/dbraw/zinc/63/58/39/619635839.db2.gz UOOJMXWVSOAVIE-IPMKNSEASA-N 1 1 323.396 3.187 20 5 DGBDMO C[C@H](C[NH2+][C@H]1CCCc2c[nH]nc21)c1ccccc1[N+](=O)[O-] ZINC000903246161 619743561 /nfs/dbraw/zinc/74/35/61/619743561.db2.gz RQFJWNFEJKRNQN-RISCZKNCSA-N 1 1 300.362 3.089 20 5 DGBDMO C[C@H](C[NH2+][C@@H]1CCN(C)[C@H]2CCC[C@H]21)c1ccccc1[N+](=O)[O-] ZINC000903244875 619743568 /nfs/dbraw/zinc/74/35/68/619743568.db2.gz FWBAFUCHHCXDFS-XBVQOTNRSA-N 1 1 317.433 3.161 20 5 DGBDMO [NH3+]CC1([C@@H]2CCCCN2Cc2ccc([N+](=O)[O-])cc2)CCC1 ZINC000903814146 619814532 /nfs/dbraw/zinc/81/45/32/619814532.db2.gz KOUQUQGRAAFUSM-INIZCTEOSA-N 1 1 303.406 3.078 20 5 DGBDMO C[C@@H](c1ccccc1)[C@H]1CCC[N@H+]1Cn1cc([N+](=O)[O-])cn1 ZINC000905738621 620024375 /nfs/dbraw/zinc/02/43/75/620024375.db2.gz DYVANZVYJCKSAA-XJKSGUPXSA-N 1 1 300.362 3.017 20 5 DGBDMO C[C@@H](c1ccccc1[N+](=O)[O-])n1cc(C[N@@H+](C)C(C)(C)C)nn1 ZINC000905799866 620030539 /nfs/dbraw/zinc/03/05/39/620030539.db2.gz SNKUHRUXOMOUDX-LBPRGKRZSA-N 1 1 317.393 3.026 20 5 DGBDMO CC(C)[N@@H+]1CCC[C@H]1c1nc(-c2ccc([N+](=O)[O-])s2)no1 ZINC000924005379 620571727 /nfs/dbraw/zinc/57/17/27/620571727.db2.gz KYCVVXSRNWWUHJ-VIFPVBQESA-N 1 1 308.363 3.252 20 5 DGBDMO CC(C)[N@H+]1CCC[C@H]1c1nc(-c2ccc([N+](=O)[O-])s2)no1 ZINC000924005379 620571730 /nfs/dbraw/zinc/57/17/30/620571730.db2.gz KYCVVXSRNWWUHJ-VIFPVBQESA-N 1 1 308.363 3.252 20 5 DGBDMO CCCC[N@@H+](Cn1cnc(-c2ccc([N+](=O)[O-])cc2)n1)C1CC1 ZINC000915203406 620572861 /nfs/dbraw/zinc/57/28/61/620572861.db2.gz QFLBXMHTGJRMBM-UHFFFAOYSA-N 1 1 315.377 3.075 20 5 DGBDMO O=[N+]([O-])c1ccc(C[NH2+][C@@H]2CCCc3cccnc32)c(F)c1 ZINC000922877788 621111792 /nfs/dbraw/zinc/11/17/92/621111792.db2.gz UIAGUIUMEFEZQA-OAHLLOKOSA-N 1 1 301.321 3.296 20 5 DGBDMO C[C@H]1CCC[N@H+]1CCNc1ccc2cnccc2c1[N+](=O)[O-] ZINC000858428069 621189626 /nfs/dbraw/zinc/18/96/26/621189626.db2.gz NNNQAJVSKGISJG-LBPRGKRZSA-N 1 1 300.362 3.039 20 5 DGBDMO Cc1noc(C[N@H+]2C[C@@H]3C[C@@H](c4ccccc4)[C@@H]3C2)c1[N+](=O)[O-] ZINC000859925936 621346205 /nfs/dbraw/zinc/34/62/05/621346205.db2.gz APJPWXOVJAYBNA-SOUVJXGZSA-N 1 1 313.357 3.127 20 5 DGBDMO Cc1ccc(N2CC[C@H](C[N@@H+](C)CC3CC3)C2)c([N+](=O)[O-])c1 ZINC000754060989 621484103 /nfs/dbraw/zinc/48/41/03/621484103.db2.gz HMVWARHBJSCINV-OAHLLOKOSA-N 1 1 303.406 3.071 20 5 DGBDMO Cc1[nH+]ccn1CCCC(=O)Nc1c(C)ccc([N+](=O)[O-])c1C ZINC000755024702 621547547 /nfs/dbraw/zinc/54/75/47/621547547.db2.gz OVDYZLFKRTVCRD-UHFFFAOYSA-N 1 1 316.361 3.135 20 5 DGBDMO CCC1(CC)CC[N@@H+](Cn2ncc3cc([N+](=O)[O-])ccc32)C1 ZINC000755929911 621604584 /nfs/dbraw/zinc/60/45/84/621604584.db2.gz DGPGYRGUCLBLOX-UHFFFAOYSA-N 1 1 302.378 3.414 20 5 DGBDMO Cc1cc(-c2noc([C@H]([NH3+])CCC(C)C)n2)cc([N+](=O)[O-])c1 ZINC000863678605 621699117 /nfs/dbraw/zinc/69/91/17/621699117.db2.gz ZDUZCMGESAEFHF-CYBMUJFWSA-N 1 1 304.350 3.389 20 5 DGBDMO Cc1c(-c2noc([C@H]([NH3+])CCC(C)C)n2)cccc1[N+](=O)[O-] ZINC000863678427 621699139 /nfs/dbraw/zinc/69/91/39/621699139.db2.gz VBRAHSZPADOULO-GFCCVEGCSA-N 1 1 304.350 3.389 20 5 DGBDMO CN(C)c1ccc(F)cc1C[NH2+]Cc1ccccc1[N+](=O)[O-] ZINC000865416693 621915311 /nfs/dbraw/zinc/91/53/11/621915311.db2.gz ISIPVXARNKIEOD-UHFFFAOYSA-N 1 1 303.337 3.090 20 5 DGBDMO O=[N+]([O-])c1ccc2nc(N[C@H]3CCC[N@H+](CCF)C3)sc2c1 ZINC000865927850 622021704 /nfs/dbraw/zinc/02/17/04/622021704.db2.gz JEMPGDBGEVDIPB-JTQLQIEISA-N 1 1 324.381 3.050 20 5 DGBDMO O=[N+]([O-])c1ccc2nc(N[C@H]3CCC[N@@H+](CCF)C3)sc2c1 ZINC000865927850 622021706 /nfs/dbraw/zinc/02/17/06/622021706.db2.gz JEMPGDBGEVDIPB-JTQLQIEISA-N 1 1 324.381 3.050 20 5 DGBDMO CO[C@H]1CC[C@@H](C)N(c2cc[nH+]c3ccc([N+](=O)[O-])cc32)C1 ZINC000866073612 622041760 /nfs/dbraw/zinc/04/17/60/622041760.db2.gz QPORGWSLXRKJQN-YPMHNXCESA-N 1 1 301.346 3.147 20 5 DGBDMO COc1cc(NC[C@@H]2c3ccccc3C[N@H+]2C)ccc1[N+](=O)[O-] ZINC000866194899 622063757 /nfs/dbraw/zinc/06/37/57/622063757.db2.gz LFJDTEYJTSSAIO-MRXNPFEDSA-N 1 1 313.357 3.202 20 5 DGBDMO COc1cc(NC[C@@H]2c3ccccc3C[N@@H+]2C)ccc1[N+](=O)[O-] ZINC000866194899 622063759 /nfs/dbraw/zinc/06/37/59/622063759.db2.gz LFJDTEYJTSSAIO-MRXNPFEDSA-N 1 1 313.357 3.202 20 5 DGBDMO C[C@@H](Cc1ccc(F)cc1[N+](=O)[O-])[NH2+][C@H]1CCCC1(F)F ZINC000866355879 622101979 /nfs/dbraw/zinc/10/19/79/622101979.db2.gz GAJSRUMRDBXDOQ-ZANVPECISA-N 1 1 302.296 3.442 20 5 DGBDMO C[C@H](c1ccccc1[N+](=O)[O-])[N@@H+]1CCOc2cc(N)ccc2C1 ZINC000866690470 622157113 /nfs/dbraw/zinc/15/71/13/622157113.db2.gz ZVPQDSBVFAMWJC-GFCCVEGCSA-N 1 1 313.357 3.133 20 5 DGBDMO C[C@H](c1ccccc1[N+](=O)[O-])[N@H+]1CCOc2cc(N)ccc2C1 ZINC000866690470 622157115 /nfs/dbraw/zinc/15/71/15/622157115.db2.gz ZVPQDSBVFAMWJC-GFCCVEGCSA-N 1 1 313.357 3.133 20 5 DGBDMO C[C@@H](c1cccc([N+](=O)[O-])c1)N1CC[C@@](C[NH3+])(C(C)(C)C)C1 ZINC000866704659 622158169 /nfs/dbraw/zinc/15/81/69/622158169.db2.gz PYJRNJONWACTPX-GUYCJALGSA-N 1 1 305.422 3.353 20 5 DGBDMO CC[C@H]1CCC[N@@H+](Cn2nc(C)c3cc([N+](=O)[O-])ccc32)C1 ZINC000764883285 622229692 /nfs/dbraw/zinc/22/96/92/622229692.db2.gz CZYPYDRNQVDKLP-ZDUSSCGKSA-N 1 1 302.378 3.332 20 5 DGBDMO CC[C@H]1C[C@H](C)C[N@H+]1Cn1nc(C)c2cc([N+](=O)[O-])ccc21 ZINC000765058717 622242886 /nfs/dbraw/zinc/24/28/86/622242886.db2.gz XIQNDJXCTJBZNQ-AAEUAGOBSA-N 1 1 302.378 3.331 20 5 DGBDMO Cc1nn(C[N@@H+]2CC[C@H](C(C)C)C2)c2ccc([N+](=O)[O-])cc12 ZINC000765083380 622244885 /nfs/dbraw/zinc/24/48/85/622244885.db2.gz ZETVHTUBIVXKJD-ZDUSSCGKSA-N 1 1 302.378 3.188 20 5 DGBDMO C[N@H+](CCOC(C)(C)C)Cc1cc(Cl)ccc1[N+](=O)[O-] ZINC000767905346 622427405 /nfs/dbraw/zinc/42/74/05/622427405.db2.gz LLXWRNCDYBKLQK-UHFFFAOYSA-N 1 1 300.786 3.495 20 5 DGBDMO C[N@@H+](CCOC(C)(C)C)Cc1cc(Cl)ccc1[N+](=O)[O-] ZINC000767905346 622427407 /nfs/dbraw/zinc/42/74/07/622427407.db2.gz LLXWRNCDYBKLQK-UHFFFAOYSA-N 1 1 300.786 3.495 20 5 DGBDMO O=C1C[N@@H+](Cc2c3ccccc3cc3ccccc32)CCCN1 ZINC000769116894 622499658 /nfs/dbraw/zinc/49/96/58/622499658.db2.gz XRFYJZDZMPYKTB-UHFFFAOYSA-N 1 1 304.393 3.315 20 5 DGBDMO CSc1ccc([N+](=O)[O-])cc1[C@@H](C)[NH2+]C1CCN(C)CC1 ZINC000872018083 622753362 /nfs/dbraw/zinc/75/33/62/622753362.db2.gz ICCQGKIYDIGWLR-LLVKDONJSA-N 1 1 309.435 3.062 20 5 DGBDMO C[C@H](N[C@@H]1CC[N@H+]2CCC[C@@H]2C1)c1c(F)cccc1[N+](=O)[O-] ZINC000872025221 622758775 /nfs/dbraw/zinc/75/87/75/622758775.db2.gz IKUVZCXBDHZCGR-YNEHKIRRSA-N 1 1 307.369 3.011 20 5 DGBDMO CSc1ccc([N+](=O)[O-])cc1[C@@H](C)NC[C@@H]1CCC[N@@H+](C)C1 ZINC000872036664 622766743 /nfs/dbraw/zinc/76/67/43/622766743.db2.gz UTSJMGJMNWRAOP-OLZOCXBDSA-N 1 1 323.462 3.309 20 5 DGBDMO CSc1ccc([N+](=O)[O-])cc1[C@@H](C)[NH2+]C[C@@H]1CCCN(C)C1 ZINC000872036664 622766750 /nfs/dbraw/zinc/76/67/50/622766750.db2.gz UTSJMGJMNWRAOP-OLZOCXBDSA-N 1 1 323.462 3.309 20 5 DGBDMO CSc1ccc([N+](=O)[O-])cc1[C@H](C)[NH2+]Cc1c[nH]nc1C ZINC000872047478 622773863 /nfs/dbraw/zinc/77/38/63/622773863.db2.gz DODKRMBNZAOVFX-JTQLQIEISA-N 1 1 306.391 3.199 20 5 DGBDMO Cc1ccc([N+](=O)[O-])c(C)c1CNC[C@@H]1CC[N@H+](C(C)C)C1 ZINC000873029749 623021377 /nfs/dbraw/zinc/02/13/77/623021377.db2.gz PUYDYAJAVVGCNG-HNNXBMFYSA-N 1 1 305.422 3.032 20 5 DGBDMO CC(C)(C)[C@]1(C[NH3+])CCN(C/C=C/c2ccccc2[N+](=O)[O-])C1 ZINC000873222886 623080355 /nfs/dbraw/zinc/08/03/55/623080355.db2.gz DIKZVVOTCHZZNJ-IWHGQQBYSA-N 1 1 317.433 3.305 20 5 DGBDMO Cc1cc([N+](=O)[O-])ccc1N1CCC(C[N@H+](C)C(C)C)CC1 ZINC000774518436 623154842 /nfs/dbraw/zinc/15/48/42/623154842.db2.gz NMJANODHXQJLBT-UHFFFAOYSA-N 1 1 305.422 3.460 20 5 DGBDMO O=[N+]([O-])c1cc2cnn(C[N@@H+]3CCC4(CCC4)C3)c2c(Cl)c1 ZINC000774638265 623169558 /nfs/dbraw/zinc/16/95/58/623169558.db2.gz FOZFBVGBAGSQSG-UHFFFAOYSA-N 1 1 320.780 3.431 20 5 DGBDMO O=[N+]([O-])c1cc2cnn(C[N@H+]3CCC4(CCC4)C3)c2c(Cl)c1 ZINC000774638265 623169559 /nfs/dbraw/zinc/16/95/59/623169559.db2.gz FOZFBVGBAGSQSG-UHFFFAOYSA-N 1 1 320.780 3.431 20 5 DGBDMO C[C@@H](c1ccc(F)cc1)[N@@H+](C)C[C@H](O)c1ccc([N+](=O)[O-])cc1 ZINC000776274398 623405062 /nfs/dbraw/zinc/40/50/62/623405062.db2.gz HJCLVGVBSYAAOL-SJCJKPOMSA-N 1 1 318.348 3.460 20 5 DGBDMO CC[N@H+](Cc1ccccc1C)C[C@H](O)c1ccc([N+](=O)[O-])cc1 ZINC000776276574 623405755 /nfs/dbraw/zinc/40/57/55/623405755.db2.gz KQNMQDANDGSWRQ-SFHVURJKSA-N 1 1 314.385 3.459 20 5 DGBDMO CC(C)[N@H+](Cc1ccco1)C[C@H](O)c1ccc([N+](=O)[O-])cc1 ZINC000776579589 623442937 /nfs/dbraw/zinc/44/29/37/623442937.db2.gz NTDSCCAKDXHLPQ-INIZCTEOSA-N 1 1 304.346 3.132 20 5 DGBDMO O=[N+]([O-])c1ccc([C@H](O)C[N@@H+](C2CC2)C2CCCCC2)cc1 ZINC000776579745 623443035 /nfs/dbraw/zinc/44/30/35/623443035.db2.gz PHYGZDNDPKNMLH-QGZVFWFLSA-N 1 1 304.390 3.425 20 5 DGBDMO C[C@H](C[N@@H+](C)C[C@@H](O)c1ccc([N+](=O)[O-])cc1)c1ccccc1 ZINC000776581889 623443075 /nfs/dbraw/zinc/44/30/75/623443075.db2.gz OINDBKKVYOWWMA-RDTXWAMCSA-N 1 1 314.385 3.364 20 5 DGBDMO O=[N+]([O-])c1ccc([C@H](O)C[N@H+]2CCC[C@@]3(CC=CCC3)C2)cc1 ZINC000776584661 623444132 /nfs/dbraw/zinc/44/41/32/623444132.db2.gz OFGXZJWLHWEJBL-MSOLQXFVSA-N 1 1 316.401 3.451 20 5 DGBDMO C[C@H](c1cccc(O)c1)[N@@H+](C)C[C@H](O)c1ccc([N+](=O)[O-])cc1 ZINC000776593115 623445329 /nfs/dbraw/zinc/44/53/29/623445329.db2.gz PDAZGSYXSDQFSZ-PXAZEXFGSA-N 1 1 316.357 3.027 20 5 DGBDMO CN1CCN(Cc2ccc(Cl)c([N+](=O)[O-])c2)c2ccc[nH+]c21 ZINC000777712926 623559371 /nfs/dbraw/zinc/55/93/71/623559371.db2.gz LWKPZDMLQJNSBP-UHFFFAOYSA-N 1 1 318.764 3.100 20 5 DGBDMO CCN1CCC([N@H+](C)Cc2c(C)ccc([N+](=O)[O-])c2C)CC1 ZINC000876559658 623643554 /nfs/dbraw/zinc/64/35/54/623643554.db2.gz DDYLQGPOYGJZFJ-UHFFFAOYSA-N 1 1 305.422 3.128 20 5 DGBDMO CCN1CCC([N@@H+](C)Cc2c(C)ccc([N+](=O)[O-])c2C)CC1 ZINC000876559658 623643557 /nfs/dbraw/zinc/64/35/57/623643557.db2.gz DDYLQGPOYGJZFJ-UHFFFAOYSA-N 1 1 305.422 3.128 20 5 DGBDMO C[C@@H](OC(=O)[C@@H](C)[NH+]1CCCCCC1)c1ccccc1[N+](=O)[O-] ZINC000778613152 623676705 /nfs/dbraw/zinc/67/67/05/623676705.db2.gz ALFMQFBFGUEXTO-ZIAGYGMSSA-N 1 1 320.389 3.464 20 5 DGBDMO Cc1[nH+]ccn1CCCCOC(=O)c1ccc([N+](=O)[O-])cc1C ZINC000778791318 623695391 /nfs/dbraw/zinc/69/53/91/623695391.db2.gz CKQHNFGYTJLMIC-UHFFFAOYSA-N 1 1 317.345 3.045 20 5 DGBDMO O=[N+]([O-])c1ccc(C[N@H+]2CC[C@H]3CSC[C@H]3C2)cc1Cl ZINC000877738586 624012324 /nfs/dbraw/zinc/01/23/24/624012324.db2.gz OPJYVIDEUQSEFE-NWDGAFQWSA-N 1 1 312.822 3.433 20 5 DGBDMO C[C@@]1(C(F)(F)F)CC[N@@H+](CCc2ccc([N+](=O)[O-])cc2)C1 ZINC000877812196 624044879 /nfs/dbraw/zinc/04/48/79/624044879.db2.gz JCEDYEBMPMVTPB-CYBMUJFWSA-N 1 1 302.296 3.412 20 5 DGBDMO Cc1csc([C@@H]2CC[N@@H+](Cc3cccc([N+](=O)[O-])c3)C2)n1 ZINC000877813595 624046616 /nfs/dbraw/zinc/04/66/16/624046616.db2.gz MUHSWOOLQOKWQD-CYBMUJFWSA-N 1 1 303.387 3.349 20 5 DGBDMO O=[N+]([O-])c1ccc(Cl)cc1C[NH2+][C@H](CO)c1cccc(F)c1 ZINC000782060835 624196533 /nfs/dbraw/zinc/19/65/33/624196533.db2.gz GUIDRTZKABPAJF-CQSZACIVSA-N 1 1 324.739 3.211 20 5 DGBDMO Cc1ccccc1[C@@H](CO)[NH2+]Cc1cc(Cl)ccc1[N+](=O)[O-] ZINC000782083693 624200583 /nfs/dbraw/zinc/20/05/83/624200583.db2.gz SFYSLXFGZYUQFS-OAHLLOKOSA-N 1 1 320.776 3.380 20 5 DGBDMO CC(C)[C@H](O)CC[N@H+](C)Cc1cc([N+](=O)[O-])ccc1Cl ZINC000878206834 624216086 /nfs/dbraw/zinc/21/60/86/624216086.db2.gz CIOAWHSJLBOVSD-CQSZACIVSA-N 1 1 300.786 3.087 20 5 DGBDMO CC(C)[C@H](O)CC[N@@H+](C)Cc1cc([N+](=O)[O-])ccc1Cl ZINC000878206834 624216088 /nfs/dbraw/zinc/21/60/88/624216088.db2.gz CIOAWHSJLBOVSD-CQSZACIVSA-N 1 1 300.786 3.087 20 5 DGBDMO C[C@@H]1CC[N@@H+](CCC(=O)Nc2cc([N+](=O)[O-])ccc2F)C[C@@H]1C ZINC000129618243 625707678 /nfs/dbraw/zinc/70/76/78/625707678.db2.gz JSXCWANTGLJCAJ-NEPJUHHUSA-N 1 1 323.368 3.040 20 5 DGBDMO C[C@H]1C[N@H+](Cc2nnc(-c3ccccc3[N+](=O)[O-])o2)CC[C@@H]1C ZINC000878332385 624247459 /nfs/dbraw/zinc/24/74/59/624247459.db2.gz NYBBQKQTRCANIP-RYUDHWBXSA-N 1 1 316.361 3.123 20 5 DGBDMO CC[N@@H+](CCC1CC1)Cc1nnc(-c2ccccc2[N+](=O)[O-])o1 ZINC000878433218 624276696 /nfs/dbraw/zinc/27/66/96/624276696.db2.gz VYYOTCYNHYMCPB-UHFFFAOYSA-N 1 1 316.361 3.267 20 5 DGBDMO C[N@@H+](Cc1nnc(-c2ccccc2[N+](=O)[O-])o1)C1CC(C)(C)C1 ZINC000878702849 624344760 /nfs/dbraw/zinc/34/47/60/624344760.db2.gz CQPNOLGBLWIXJT-UHFFFAOYSA-N 1 1 316.361 3.265 20 5 DGBDMO O=[N+]([O-])c1ccc(C[N@H+]2CCC[C@@H](c3cc[nH]n3)C2)cc1Cl ZINC000783535944 624363623 /nfs/dbraw/zinc/36/36/23/624363623.db2.gz YTGRJBVMEKQYDL-GFCCVEGCSA-N 1 1 320.780 3.351 20 5 DGBDMO CC[C@@H](C)[N@@H+](CC)Cc1nnc(-c2ccccc2[N+](=O)[O-])o1 ZINC000878884838 624380481 /nfs/dbraw/zinc/38/04/81/624380481.db2.gz NCYGCEGXYWJVBP-LLVKDONJSA-N 1 1 304.350 3.265 20 5 DGBDMO C[C@H]1C[N@@H+](Cn2ncc3cc([N+](=O)[O-])ccc32)CC(C)(C)C1 ZINC000784008709 624419542 /nfs/dbraw/zinc/41/95/42/624419542.db2.gz OBSHLUAEBJHJTL-GFCCVEGCSA-N 1 1 302.378 3.270 20 5 DGBDMO O=[N+]([O-])c1ccc(C[N@@H+]2CCC[C@H]2[C@H](O)c2ccccc2)cc1 ZINC000879239455 624457664 /nfs/dbraw/zinc/45/76/64/624457664.db2.gz BGVBYTXYCDBQQB-ZWKOTPCHSA-N 1 1 312.369 3.293 20 5 DGBDMO C[NH+]1CCC2(CCN(Cc3c(F)cccc3[N+](=O)[O-])CC2)CC1 ZINC000879247317 624463402 /nfs/dbraw/zinc/46/34/02/624463402.db2.gz AOMAIMKSEWFOEE-UHFFFAOYSA-N 1 1 321.396 3.042 20 5 DGBDMO C[N@H+]1CCCC12CCN(Cc1cc(Cl)ccc1[N+](=O)[O-])CC2 ZINC000784251529 624465206 /nfs/dbraw/zinc/46/52/06/624465206.db2.gz GMBCKISQQIMKRZ-UHFFFAOYSA-N 1 1 323.824 3.308 20 5 DGBDMO O=[N+]([O-])c1cc(C[NH2+]Cc2ccoc2)cc(C(F)(F)F)c1 ZINC000785521954 624681376 /nfs/dbraw/zinc/68/13/76/624681376.db2.gz LUJLBTIPFGDVIQ-UHFFFAOYSA-N 1 1 300.236 3.496 20 5 DGBDMO COC(=O)CC[C@@H]1CCC[N@H+]([C@H](C)c2ccccc2[N+](=O)[O-])C1 ZINC000880038848 624762959 /nfs/dbraw/zinc/76/29/59/624762959.db2.gz BALWUWGXQCTUBC-KGLIPLIRSA-N 1 1 320.389 3.321 20 5 DGBDMO COC(=O)[C@]12CCC[C@H]1[N@H+]([C@H](C)c1ccccc1[N+](=O)[O-])CC2 ZINC000880181234 624824454 /nfs/dbraw/zinc/82/44/54/624824454.db2.gz SFGBVMROPTZRDQ-VMGRFDJRSA-N 1 1 318.373 3.073 20 5 DGBDMO CO[C@]1(C(F)(F)F)CC[N@@H+]([C@H](C)c2ccccc2[N+](=O)[O-])C1 ZINC000880302359 624904385 /nfs/dbraw/zinc/90/43/85/624904385.db2.gz FMKQVQCBAYWZRN-ZWNOBZJWSA-N 1 1 318.295 3.309 20 5 DGBDMO CO[C@]1(C(F)(F)F)CC[N@H+]([C@H](C)c2ccccc2[N+](=O)[O-])C1 ZINC000880302359 624904388 /nfs/dbraw/zinc/90/43/88/624904388.db2.gz FMKQVQCBAYWZRN-ZWNOBZJWSA-N 1 1 318.295 3.309 20 5 DGBDMO O=[N+]([O-])c1cc(F)ccc1C[N@H+]1CC[C@@H](c2nccs2)C1 ZINC000880323916 624918163 /nfs/dbraw/zinc/91/81/63/624918163.db2.gz WXTLEHJCVNVXAH-LLVKDONJSA-N 1 1 307.350 3.180 20 5 DGBDMO Cc1noc(C[N@@H+]2CCC[C@@]2(C)c2ccccc2)c1[N+](=O)[O-] ZINC000880372325 624939063 /nfs/dbraw/zinc/93/90/63/624939063.db2.gz VSGNWMBESALAKT-INIZCTEOSA-N 1 1 301.346 3.402 20 5 DGBDMO Cc1noc(C[N@H+]2CCC[C@@]2(C)c2ccccc2)c1[N+](=O)[O-] ZINC000880372325 624939067 /nfs/dbraw/zinc/93/90/67/624939067.db2.gz VSGNWMBESALAKT-INIZCTEOSA-N 1 1 301.346 3.402 20 5 DGBDMO C[C@H]1c2sccc2CC[N@@H+]1C[C@H](O)c1cccc([N+](=O)[O-])c1 ZINC000880377121 624943185 /nfs/dbraw/zinc/94/31/85/624943185.db2.gz OQGAJLWRFIQVMF-NHYWBVRUSA-N 1 1 318.398 3.309 20 5 DGBDMO C/C(=C\c1cccc([N+](=O)[O-])c1)CNCC[N@H+]1CCC[C@@H]1C ZINC000786818464 624955900 /nfs/dbraw/zinc/95/59/00/624955900.db2.gz YSFUMAXFDSFREA-GOFCXVBSSA-N 1 1 303.406 3.072 20 5 DGBDMO C/C(=C\c1cccc([N+](=O)[O-])c1)CNCC[N@@H+]1CCC[C@@H]1C ZINC000786818464 624955901 /nfs/dbraw/zinc/95/59/01/624955901.db2.gz YSFUMAXFDSFREA-GOFCXVBSSA-N 1 1 303.406 3.072 20 5 DGBDMO O=C(OCc1ccc([N+](=O)[O-])cc1)[C@H]1CCC[N@H+]1C1CCCC1 ZINC000786883497 624961972 /nfs/dbraw/zinc/96/19/72/624961972.db2.gz RDMFQXIFVHWJJJ-MRXNPFEDSA-N 1 1 318.373 3.045 20 5 DGBDMO O=[N+]([O-])c1cc(F)c(C[N@@H+]2CC[C@@H](c3ccccn3)C2)c(F)c1 ZINC000796056981 626019421 /nfs/dbraw/zinc/01/94/21/626019421.db2.gz MNKFTQGGPBXGLD-LLVKDONJSA-N 1 1 319.311 3.258 20 5 DGBDMO O=[N+]([O-])c1cc(F)c(C[N@H+]2CC[C@@H](c3ccccn3)C2)c(F)c1 ZINC000796056981 626019422 /nfs/dbraw/zinc/01/94/22/626019422.db2.gz MNKFTQGGPBXGLD-LLVKDONJSA-N 1 1 319.311 3.258 20 5 DGBDMO CCOc1cc(C[NH+]2CCC(F)(F)CC2)ccc1[N+](=O)[O-] ZINC000796540281 626059977 /nfs/dbraw/zinc/05/99/77/626059977.db2.gz RFJGLUHUOOVUHQ-UHFFFAOYSA-N 1 1 300.305 3.225 20 5 DGBDMO C[NH+]1CCC2(CCCN(Cc3c(F)cccc3[N+](=O)[O-])C2)CC1 ZINC000799177774 626277849 /nfs/dbraw/zinc/27/78/49/626277849.db2.gz DLUZSQXEJUATGZ-UHFFFAOYSA-N 1 1 321.396 3.042 20 5 DGBDMO O=[N+]([O-])c1ccc2oc(C[N@H+]3CC[C@@H](c4ccccn4)C3)nc2c1 ZINC000799193555 626279680 /nfs/dbraw/zinc/27/96/80/626279680.db2.gz LOIXQBMSGLUFMF-GFCCVEGCSA-N 1 1 324.340 3.121 20 5 DGBDMO O=[N+]([O-])c1ccc(C[N@H+]2CCC[C@H]2C2CCOCC2)cc1F ZINC000801535188 626408624 /nfs/dbraw/zinc/40/86/24/626408624.db2.gz GNEPEISTKBGXSP-HNNXBMFYSA-N 1 1 308.353 3.125 20 5 DGBDMO C[N@H+](CCc1cccc([N+](=O)[O-])c1)Cc1coc(C2CC2)n1 ZINC000802658134 626565933 /nfs/dbraw/zinc/56/59/33/626565933.db2.gz KZWWFFCMAJPEPG-UHFFFAOYSA-N 1 1 301.346 3.135 20 5 DGBDMO C[N@@H+](CCc1cccc([N+](=O)[O-])c1)Cc1coc(C2CC2)n1 ZINC000802658134 626565935 /nfs/dbraw/zinc/56/59/35/626565935.db2.gz KZWWFFCMAJPEPG-UHFFFAOYSA-N 1 1 301.346 3.135 20 5 DGBDMO CC(C)[N@@H+](C)CC(=O)Nc1ccc(C(C)(C)C)c([N+](=O)[O-])c1 ZINC000803617897 626625496 /nfs/dbraw/zinc/62/54/96/626625496.db2.gz YOZNFCMUGAZLDL-UHFFFAOYSA-N 1 1 307.394 3.171 20 5 DGBDMO C[N@H+]1CCCC[C@H]1CCC(=O)OCc1cc(F)ccc1[N+](=O)[O-] ZINC000803861232 626645047 /nfs/dbraw/zinc/64/50/47/626645047.db2.gz WOFLUUMPTSTQTC-AWEZNQCLSA-N 1 1 324.352 3.042 20 5 DGBDMO C[C@@H](CNc1c([N+](=O)[O-])cccc1[N+](=O)[O-])[N@H+]1CCC[C@H](C)C1 ZINC000804349999 626672365 /nfs/dbraw/zinc/67/23/65/626672365.db2.gz SUVULSQGCUYFEV-RYUDHWBXSA-N 1 1 322.365 3.035 20 5 DGBDMO C[C@H](CNc1c([N+](=O)[O-])cccc1[N+](=O)[O-])[N@H+]1CCC[C@@H](C)C1 ZINC000804350000 626672482 /nfs/dbraw/zinc/67/24/82/626672482.db2.gz SUVULSQGCUYFEV-VXGBXAGGSA-N 1 1 322.365 3.035 20 5 DGBDMO CC(=O)c1cc([N+](=O)[O-])ccc1N1CCC[N@H+](C(C)(C)C)CC1 ZINC000804394439 626676245 /nfs/dbraw/zinc/67/62/45/626676245.db2.gz RSFXAHNTKBKCFI-UHFFFAOYSA-N 1 1 319.405 3.108 20 5 DGBDMO Cc1nn(C[N@@H+](C)[C@H](C)Cc2cccc(F)c2)c(C)c1[N+](=O)[O-] ZINC000840167880 626901913 /nfs/dbraw/zinc/90/19/13/626901913.db2.gz WQBAQISVCPDWKF-LLVKDONJSA-N 1 1 320.368 3.068 20 5 DGBDMO Cc1nn(C[N@H+](C)[C@H](C)Cc2cccc(F)c2)c(C)c1[N+](=O)[O-] ZINC000840167880 626901915 /nfs/dbraw/zinc/90/19/15/626901915.db2.gz WQBAQISVCPDWKF-LLVKDONJSA-N 1 1 320.368 3.068 20 5 DGBDMO O=[N+]([O-])c1ccc2[nH+]ccc(N3CC[C@H]([C@@H]4CCCO4)C3)c2c1 ZINC000884752082 626951496 /nfs/dbraw/zinc/95/14/96/626951496.db2.gz RGROEUFDOQPHTR-SJCJKPOMSA-N 1 1 313.357 3.148 20 5 DGBDMO Cc1ccc(OC(=O)[C@@]2(F)CC[N@H+](C(C)(C)C)C2)cc1[N+](=O)[O-] ZINC000810641731 627030422 /nfs/dbraw/zinc/03/04/22/627030422.db2.gz HKDYZJLQHIAIKX-MRXNPFEDSA-N 1 1 324.352 3.021 20 5 DGBDMO O=[N+]([O-])c1ncccc1C[N@H+]1CCC[C@H](Cc2ccccc2)C1 ZINC000886000065 627079709 /nfs/dbraw/zinc/07/97/09/627079709.db2.gz UJAIWQCOLJZPRU-MRXNPFEDSA-N 1 1 311.385 3.445 20 5 DGBDMO C[C@H]1[C@@H](Cc2ccccc2)CC[N@H+]1Cc1cccnc1[N+](=O)[O-] ZINC000886030272 627088604 /nfs/dbraw/zinc/08/86/04/627088604.db2.gz IEBKZXXLRFZYCJ-GOEBONIOSA-N 1 1 311.385 3.443 20 5 DGBDMO C[C@@H]([NH2+]Cc1cccnc1[N+](=O)[O-])c1ccc(OC(F)F)cc1 ZINC000886107235 627106478 /nfs/dbraw/zinc/10/64/78/627106478.db2.gz NQHYSBKHPQEIJI-SNVBAGLBSA-N 1 1 323.299 3.442 20 5 DGBDMO CCOc1cccc([C@@H](C)[NH2+]Cc2cccnc2[N+](=O)[O-])c1 ZINC000886109351 627106519 /nfs/dbraw/zinc/10/65/19/627106519.db2.gz IIIAADYLCKBXHQ-GFCCVEGCSA-N 1 1 301.346 3.239 20 5 DGBDMO C[C@]1(c2ccc(F)cc2)CC[N@@H+](Cc2cccnc2[N+](=O)[O-])C1 ZINC000886184218 627118864 /nfs/dbraw/zinc/11/88/64/627118864.db2.gz WQVKBASPRKDJDY-KRWDZBQOSA-N 1 1 315.348 3.293 20 5 DGBDMO Cc1ccccc1[C@@H](CO)[N@H+](C)Cc1ccccc1[N+](=O)[O-] ZINC000886430360 627147960 /nfs/dbraw/zinc/14/79/60/627147960.db2.gz LFOPMZJWFPAIPI-QGZVFWFLSA-N 1 1 300.358 3.069 20 5 DGBDMO Cc1ccccc1[C@@H](CO)[N@@H+](C)Cc1ccccc1[N+](=O)[O-] ZINC000886430360 627147964 /nfs/dbraw/zinc/14/79/64/627147964.db2.gz LFOPMZJWFPAIPI-QGZVFWFLSA-N 1 1 300.358 3.069 20 5 DGBDMO Cc1ccccc1[C@@H](CO)[N@@H+](C)Cc1ccc([N+](=O)[O-])c(F)c1 ZINC000886439562 627149004 /nfs/dbraw/zinc/14/90/04/627149004.db2.gz ZYJUMXSYBHMXCP-QGZVFWFLSA-N 1 1 318.348 3.208 20 5 DGBDMO Cc1ccc(C[NH+]2CCC(C(=O)OC(C)C)CC2)cc1[N+](=O)[O-] ZINC000886732357 627198227 /nfs/dbraw/zinc/19/82/27/627198227.db2.gz CLLYNGUKDJVXAD-UHFFFAOYSA-N 1 1 320.389 3.067 20 5 DGBDMO C[N@@H+]1CCC[C@@H](NCc2cc(Cl)cc(Cl)c2[N+](=O)[O-])C1 ZINC000811475802 627278999 /nfs/dbraw/zinc/27/89/99/627278999.db2.gz VBFMQPLYDKYKPQ-LLVKDONJSA-N 1 1 318.204 3.085 20 5 DGBDMO C[N@H+]1CCC[C@@H](NCc2cc(Cl)cc(Cl)c2[N+](=O)[O-])C1 ZINC000811475802 627279002 /nfs/dbraw/zinc/27/90/02/627279002.db2.gz VBFMQPLYDKYKPQ-LLVKDONJSA-N 1 1 318.204 3.085 20 5 DGBDMO Cc1nn(C[N@@H+]2CCC(F)(F)[C@@H](C)C2)c2ccc([N+](=O)[O-])cc12 ZINC000811781288 627321931 /nfs/dbraw/zinc/32/19/31/627321931.db2.gz XMPQFEIZVRIHSF-JTQLQIEISA-N 1 1 324.331 3.188 20 5 DGBDMO Cc1nn(C[N@H+]2CCC(F)(F)[C@@H](C)C2)c2ccc([N+](=O)[O-])cc12 ZINC000811781288 627321935 /nfs/dbraw/zinc/32/19/35/627321935.db2.gz XMPQFEIZVRIHSF-JTQLQIEISA-N 1 1 324.331 3.188 20 5 DGBDMO C[C@H]([NH2+]Cc1cc(F)ccc1F)c1ccc(N)c([N+](=O)[O-])c1 ZINC000815577791 627686461 /nfs/dbraw/zinc/68/64/61/627686461.db2.gz ZDVZKPDPVLGIAN-VIFPVBQESA-N 1 1 307.300 3.306 20 5 DGBDMO COc1cc(N2CCC(c3[nH]cc[nH+]3)CC2)c([N+](=O)[O-])cc1C ZINC000820645764 628281894 /nfs/dbraw/zinc/28/18/94/628281894.db2.gz ZWRADAURYFHJFF-UHFFFAOYSA-N 1 1 316.361 3.019 20 5 DGBDMO Cc1ccc(C[N@H+](C)C[C@@](C)(O)c2ccccc2)cc1[N+](=O)[O-] ZINC000822515773 628460018 /nfs/dbraw/zinc/46/00/18/628460018.db2.gz FSYBYNJZTFLTQX-GOSISDBHSA-N 1 1 314.385 3.243 20 5 DGBDMO Cc1ccc(C[N@H+](C)C[C@](C)(O)c2ccccc2)cc1[N+](=O)[O-] ZINC000822515775 628460349 /nfs/dbraw/zinc/46/03/49/628460349.db2.gz FSYBYNJZTFLTQX-SFHVURJKSA-N 1 1 314.385 3.243 20 5 DGBDMO C[C@@H](c1cccc([N+](=O)[O-])c1)[N@@H+](C)C[C@@](C)(O)c1ccccc1 ZINC000823585751 628576740 /nfs/dbraw/zinc/57/67/40/628576740.db2.gz QVKBUHFGXLQZBK-KBXCAEBGSA-N 1 1 314.385 3.495 20 5 DGBDMO CC(C)[N@H+]1CC[C@H](N(C)Cc2ccc([N+](=O)[O-])c(Cl)c2)C1 ZINC000825339077 628751627 /nfs/dbraw/zinc/75/16/27/628751627.db2.gz ZVUYECBCPRNCRG-ZDUSSCGKSA-N 1 1 311.813 3.163 20 5 DGBDMO O=[N+]([O-])c1cccc(Br)c1C[N@@H+]1CC[C@H]2C[C@H]2C1 ZINC000827507025 628965916 /nfs/dbraw/zinc/96/59/16/628965916.db2.gz ROADJXZAFVZRLI-UWVGGRQHSA-N 1 1 311.179 3.199 20 5 DGBDMO O=[N+]([O-])c1cccc(Br)c1C[N@H+]1CC[C@H]2C[C@H]2C1 ZINC000827507025 628965920 /nfs/dbraw/zinc/96/59/20/628965920.db2.gz ROADJXZAFVZRLI-UWVGGRQHSA-N 1 1 311.179 3.199 20 5 DGBDMO O=[N+]([O-])c1ccc(F)cc1C[N@@H+]1CC[C@H](Oc2ccccc2)C1 ZINC000829082123 629127271 /nfs/dbraw/zinc/12/72/71/629127271.db2.gz ZHVIEYLWAQBCGQ-INIZCTEOSA-N 1 1 316.332 3.387 20 5 DGBDMO O=[N+]([O-])c1ccc(F)cc1C[N@H+]1CC[C@H](Oc2ccccc2)C1 ZINC000829082123 629127272 /nfs/dbraw/zinc/12/72/72/629127272.db2.gz ZHVIEYLWAQBCGQ-INIZCTEOSA-N 1 1 316.332 3.387 20 5 DGBDMO CN(C)CCC[NH2+]Cc1ccc(-c2ccccc2[N+](=O)[O-])s1 ZINC000102419364 630104497 /nfs/dbraw/zinc/10/44/97/630104497.db2.gz CCRAVAOPKNUWHJ-UHFFFAOYSA-N 1 1 319.430 3.365 20 5 DGBDMO C[N@@H+](CCC(C)(C)C)Cn1cc([N+](=O)[O-])c(-c2ccncc2)n1 ZINC000842632236 630556461 /nfs/dbraw/zinc/55/64/61/630556461.db2.gz WEKICNOEWONCHY-UHFFFAOYSA-N 1 1 317.393 3.179 20 5 DGBDMO Cc1ccc([N+](=O)[O-])cc1C(=O)OC[C@@H]1CCC[N@H+](C(C)C)C1 ZINC000842833348 630582521 /nfs/dbraw/zinc/58/25/21/630582521.db2.gz LDESZWMTGNPMGE-CQSZACIVSA-N 1 1 320.389 3.180 20 5 DGBDMO Cc1cccc(C(=O)OC[C@@H]2CCC[N@H+](C(C)C)C2)c1[N+](=O)[O-] ZINC000842835421 630582935 /nfs/dbraw/zinc/58/29/35/630582935.db2.gz GZHZQINEJAMUKC-CQSZACIVSA-N 1 1 320.389 3.180 20 5 DGBDMO O=[N+]([O-])c1ccc2oc(C[N@@H+]3CCC[C@]4(CC4(F)F)C3)nc2c1 ZINC000844435589 630729019 /nfs/dbraw/zinc/72/90/19/630729019.db2.gz CLSAWTDADJDHQD-AWEZNQCLSA-N 1 1 323.299 3.357 20 5 DGBDMO O=[N+]([O-])c1ccc2oc(C[N@H+]3CCC[C@]4(CC4(F)F)C3)nc2c1 ZINC000844435589 630729020 /nfs/dbraw/zinc/72/90/20/630729020.db2.gz CLSAWTDADJDHQD-AWEZNQCLSA-N 1 1 323.299 3.357 20 5 DGBDMO COc1ccc([N+](=O)[O-])cc1C[N@H+]1CCC[C@]2(CC2(F)F)C1 ZINC000844438365 630729654 /nfs/dbraw/zinc/72/96/54/630729654.db2.gz XMTPMUIIRUCOEF-AWEZNQCLSA-N 1 1 312.316 3.225 20 5 DGBDMO Cn1cc[nH+]c1[C@@H]1CCN(c2cc(Cl)c(F)cc2[N+](=O)[O-])C1 ZINC000845510319 631179819 /nfs/dbraw/zinc/17/98/19/631179819.db2.gz YJUXZLPSLRSKHI-SECBINFHSA-N 1 1 324.743 3.115 20 5 DGBDMO CC[C@@H]1CCC[N@H+]1Cn1cc(-c2ccccc2[N+](=O)[O-])cn1 ZINC000848476856 631668023 /nfs/dbraw/zinc/66/80/23/631668023.db2.gz JCPZOXDVTHTHTO-CQSZACIVSA-N 1 1 300.362 3.290 20 5 DGBDMO O=[N+]([O-])c1ccc(CN[C@H]2CCC[N@@H+]3CCCC[C@@H]23)cc1Cl ZINC000848927635 631791285 /nfs/dbraw/zinc/79/12/85/631791285.db2.gz JLCUUYVTQHAGNQ-HOCLYGCPSA-N 1 1 323.824 3.355 20 5 DGBDMO O=[N+]([O-])c1ccc(CN[C@H]2CCC[N@H+]3CCCC[C@@H]23)cc1Cl ZINC000848927635 631791288 /nfs/dbraw/zinc/79/12/88/631791288.db2.gz JLCUUYVTQHAGNQ-HOCLYGCPSA-N 1 1 323.824 3.355 20 5 DGBDMO O=[N+]([O-])c1cccc([C@H](O)C[N@@H+]2CC[C@H]2c2ccc(F)cc2)c1 ZINC000849326331 631893028 /nfs/dbraw/zinc/89/30/28/631893028.db2.gz HEHGDQPBXRRAFS-DLBZAZTESA-N 1 1 316.332 3.214 20 5 DGBDMO O=[N+]([O-])c1cccc([C@H](O)C[N@H+]2CC[C@H]2c2ccc(F)cc2)c1 ZINC000849326331 631893036 /nfs/dbraw/zinc/89/30/36/631893036.db2.gz HEHGDQPBXRRAFS-DLBZAZTESA-N 1 1 316.332 3.214 20 5 DGBDMO O=[N+]([O-])c1ccc(Cl)c(C[NH2+][C@H]2CCCn3nccc32)c1 ZINC000850444181 632154136 /nfs/dbraw/zinc/15/41/36/632154136.db2.gz HLXBIBGSIITHJB-ZDUSSCGKSA-N 1 1 306.753 3.069 20 5 DGBDMO CC[C@@H](C)[N@@H+](CC)CCC(=O)Nc1cc([N+](=O)[O-])ccc1F ZINC000852290210 632580855 /nfs/dbraw/zinc/58/08/55/632580855.db2.gz HJANHYLZCFRPAG-LLVKDONJSA-N 1 1 311.357 3.183 20 5 DGBDMO C[C@@H](CO)[C@@H]1CCCC[N@H+]1Cc1ccc(Cl)c([N+](=O)[O-])c1 ZINC000852425286 632602851 /nfs/dbraw/zinc/60/28/51/632602851.db2.gz JEQNUEKDWTYHBE-FZMZJTMJSA-N 1 1 312.797 3.231 20 5 DGBDMO CCC[N@@H+](Cn1cc([N+](=O)[O-])cn1)[C@@H]1CCc2ccccc2C1 ZINC000194018095 659732779 /nfs/dbraw/zinc/73/27/79/659732779.db2.gz ANAKEIMRVYOFJC-MRXNPFEDSA-N 1 1 314.389 3.018 20 5 DGBDMO CC[N@@H+](Cn1c(=O)oc2cccc([N+](=O)[O-])c21)C1CCCCC1 ZINC000794616570 661094191 /nfs/dbraw/zinc/09/41/91/661094191.db2.gz NGZKGMZCZXGHRH-UHFFFAOYSA-N 1 1 319.361 3.115 20 5 DGBDMO CCCC[N@@H+](Cn1c(=O)oc2cccc([N+](=O)[O-])c21)[C@@H](C)CC ZINC000794621059 661094582 /nfs/dbraw/zinc/09/45/82/661094582.db2.gz ROZAZZLDLFCWGN-LBPRGKRZSA-N 1 1 321.377 3.361 20 5 DGBDMO O=[N+]([O-])c1cc(F)ccc1C[N@H+]1CCC[C@H](C2CCOCC2)C1 ZINC000933088328 655675572 /nfs/dbraw/zinc/67/55/72/655675572.db2.gz KPSSIHIHDBUCBD-AWEZNQCLSA-N 1 1 322.380 3.373 20 5 DGBDMO CCOC1CC(C[N@@H+](C)Cc2cc([N+](=O)[O-])ccc2Cl)C1 ZINC000795937348 661180382 /nfs/dbraw/zinc/18/03/82/661180382.db2.gz JXRLBNJNBYNTFV-UHFFFAOYSA-N 1 1 312.797 3.495 20 5 DGBDMO O=[N+]([O-])c1cc(F)ccc1C[N@H+]1CCCSC[C@@H]1C1CC1 ZINC000933912382 655738044 /nfs/dbraw/zinc/73/80/44/655738044.db2.gz JQBNAMNVFMCGCX-OAHLLOKOSA-N 1 1 310.394 3.451 20 5 DGBDMO C[N@@H+](CCCF)Cc1ccc(Br)c([N+](=O)[O-])c1 ZINC000716639040 661225791 /nfs/dbraw/zinc/22/57/91/661225791.db2.gz DEWCSXIYHAHXJU-UHFFFAOYSA-N 1 1 305.147 3.149 20 5 DGBDMO C[N@@H+](Cc1ccccc1[N+](=O)[O-])C[C@@H](O)c1c(F)cccc1F ZINC000051322991 656139756 /nfs/dbraw/zinc/13/97/56/656139756.db2.gz YPNNLYOCHHDDGZ-OAHLLOKOSA-N 1 1 322.311 3.038 20 5 DGBDMO C[N@H+](Cc1ccccc1[N+](=O)[O-])C[C@@H](O)c1c(F)cccc1F ZINC000051322991 656139757 /nfs/dbraw/zinc/13/97/57/656139757.db2.gz YPNNLYOCHHDDGZ-OAHLLOKOSA-N 1 1 322.311 3.038 20 5 DGBDMO CC[N@@H+](CCc1ccccc1)C[C@@H](O)c1cccc([N+](=O)[O-])c1 ZINC000178574759 656934323 /nfs/dbraw/zinc/93/43/23/656934323.db2.gz RTXUNUAJPOWQHW-GOSISDBHSA-N 1 1 314.385 3.193 20 5 DGBDMO CC[N@@H+](C)C[C@H]1CCN(Cc2cc([N+](=O)[O-])ccc2Cl)C1 ZINC000173891710 659403969 /nfs/dbraw/zinc/40/39/69/659403969.db2.gz PKRJUNMKPPJFFE-GFCCVEGCSA-N 1 1 311.813 3.022 20 5 DGBDMO C[C@H]([NH2+]Cc1ccccc1[N+](=O)[O-])c1cccc([N+](=O)[O-])c1 ZINC000193903258 659730550 /nfs/dbraw/zinc/73/05/50/659730550.db2.gz BAUGNIJLADQODF-NSHDSACASA-N 1 1 301.302 3.354 20 5 DGBDMO C[N@@H+](CCc1ccccc1[N+](=O)[O-])C[C@H]1C[C@@H]2[C@H](C1)C2(F)F ZINC000930439842 661398533 /nfs/dbraw/zinc/39/85/33/661398533.db2.gz JJPQSRFPIDNLCP-UBSAEIQESA-N 1 1 310.344 3.360 20 5 DGBDMO O=[N+]([O-])c1ccc([C@H]2CCC[N@@H+](CCc3ccns3)C2)cc1 ZINC000930641735 661417970 /nfs/dbraw/zinc/41/79/70/661417970.db2.gz YMMLNNRAVVPPBV-AWEZNQCLSA-N 1 1 317.414 3.473 20 5 DGBDMO CC(C)(C)[C@@H]1CSCC[N@H+]1C[C@@H](O)c1cccc([N+](=O)[O-])c1 ZINC000931597880 661491674 /nfs/dbraw/zinc/49/16/74/661491674.db2.gz XUVICOVCGCLBRJ-CABCVRRESA-N 1 1 324.446 3.092 20 5 DGBDMO Cc1ccc([N+](=O)[O-])cc1[C@H](C)N1[C@@H]2CC[C@H]1C[N@@H+](C)CC2 ZINC000931720621 661502090 /nfs/dbraw/zinc/50/20/90/661502090.db2.gz UFLSGZSYCRHHCB-LZWOXQAQSA-N 1 1 303.406 3.133 20 5 DGBDMO Cc1ccc([N+](=O)[O-])cc1[C@H](C)[N@@H+]1[C@@H]2CC[C@H]1CN(C)CC2 ZINC000931720621 661502093 /nfs/dbraw/zinc/50/20/93/661502093.db2.gz UFLSGZSYCRHHCB-LZWOXQAQSA-N 1 1 303.406 3.133 20 5 DGBDMO Cc1ccc([N+](=O)[O-])cc1[C@H](C)[N@H+]1[C@@H]2CC[C@H]1CN(C)CC2 ZINC000931720621 661502095 /nfs/dbraw/zinc/50/20/95/661502095.db2.gz UFLSGZSYCRHHCB-LZWOXQAQSA-N 1 1 303.406 3.133 20 5 DGBDMO Cc1ccc([N+](=O)[O-])cc1[C@@H](C)N1[C@@H]2CC[C@H]1C[N@@H+](C)CC2 ZINC000931720620 661502297 /nfs/dbraw/zinc/50/22/97/661502297.db2.gz UFLSGZSYCRHHCB-FMKPAKJESA-N 1 1 303.406 3.133 20 5 DGBDMO Cc1ccc([N+](=O)[O-])cc1[C@@H](C)[N@@H+]1[C@@H]2CC[C@H]1CN(C)CC2 ZINC000931720620 661502299 /nfs/dbraw/zinc/50/22/99/661502299.db2.gz UFLSGZSYCRHHCB-FMKPAKJESA-N 1 1 303.406 3.133 20 5 DGBDMO Cc1ccc([N+](=O)[O-])cc1[C@@H](C)[N@H+]1[C@@H]2CC[C@H]1CN(C)CC2 ZINC000931720620 661502301 /nfs/dbraw/zinc/50/23/01/661502301.db2.gz UFLSGZSYCRHHCB-FMKPAKJESA-N 1 1 303.406 3.133 20 5 DGBDMO C[N@H+](CCCF)Cc1cc([N+](=O)[O-])ccc1Br ZINC000931765549 661506808 /nfs/dbraw/zinc/50/68/08/661506808.db2.gz XRUHDJXMVKESCO-UHFFFAOYSA-N 1 1 305.147 3.149 20 5 DGBDMO C[N@@H+](CCCF)Cc1cc([N+](=O)[O-])ccc1Br ZINC000931765549 661506811 /nfs/dbraw/zinc/50/68/11/661506811.db2.gz XRUHDJXMVKESCO-UHFFFAOYSA-N 1 1 305.147 3.149 20 5 DGBDMO CSCC1CC[NH+](Cc2nc3cc([N+](=O)[O-])ccc3o2)CC1 ZINC000932590403 661583528 /nfs/dbraw/zinc/58/35/28/661583528.db2.gz YDFYALYKDYDQIW-UHFFFAOYSA-N 1 1 321.402 3.311 20 5 DGBDMO O=[N+]([O-])c1ccccc1C[N@H+]1CCCC[C@@H]([C@H]2CCOC2)C1 ZINC000934834324 661738419 /nfs/dbraw/zinc/73/84/19/661738419.db2.gz QAJFYGIIKTUQFX-ZBFHGGJFSA-N 1 1 304.390 3.233 20 5 DGBDMO O=[N+]([O-])c1ccc(C[N@H+]2CCCC[C@@H]([C@@H]3CCOC3)C2)cc1 ZINC000934837655 661739403 /nfs/dbraw/zinc/73/94/03/661739403.db2.gz UZWDVOKYIMPCCW-HZPDHXFCSA-N 1 1 304.390 3.233 20 5 DGBDMO O=[N+]([O-])c1ccc(C[N@H+]2CCCC[C@H]([C@H]3CCOC3)C2)cc1F ZINC000934838238 661740059 /nfs/dbraw/zinc/74/00/59/661740059.db2.gz NXSAFSQYEXJNDO-GJZGRUSLSA-N 1 1 322.380 3.373 20 5 DGBDMO C[C@@H]([NH2+]Cc1ccccc1[N+](=O)[O-])c1ccc([N+](=O)[O-])cc1 ZINC000194619830 662170059 /nfs/dbraw/zinc/17/00/59/662170059.db2.gz ARNLNGDJPOTYNC-LLVKDONJSA-N 1 1 301.302 3.354 20 5 DGBDMO Cc1ccc(C)c(NC(=O)[C@](C)([NH3+])c2cccc([N+](=O)[O-])c2)c1 ZINC001579672773 1191985679 /nfs/dbraw/zinc/98/56/79/1191985679.db2.gz MUKAKVVBJUNFPH-QGZVFWFLSA-N 1 1 313.357 3.024 20 5 DGBDMO CCn1cc(C[NH2+]Cc2cc([N+](=O)[O-])ccc2Cl)c(C)n1 ZINC001334197323 1178733915 /nfs/dbraw/zinc/73/39/15/1178733915.db2.gz CFTGBYQYVGNCAO-UHFFFAOYSA-N 1 1 308.769 3.063 20 5 DGBDMO CC[N@@H+](CCNc1ccnc2cc([N+](=O)[O-])ccc21)C1CC1 ZINC001346179616 1179666497 /nfs/dbraw/zinc/66/64/97/1179666497.db2.gz ADQPNKCYGPZGMB-UHFFFAOYSA-N 1 1 300.362 3.039 20 5 DGBDMO COc1c(O)ccc(C[NH2+][C@@H](C)c2cc(C)oc2C)c1[N+](=O)[O-] ZINC001351975622 1180272071 /nfs/dbraw/zinc/27/20/71/1180272071.db2.gz UNUOUGDIKNVGKS-JTQLQIEISA-N 1 1 320.345 3.370 20 5 DGBDMO C[N@H+]1Cc2ccccc2[C@@H]1CNc1nc2cc([N+](=O)[O-])ccc2[nH]1 ZINC001458547728 1182537730 /nfs/dbraw/zinc/53/77/30/1182537730.db2.gz PGVKRLOIFAJGDZ-INIZCTEOSA-N 1 1 323.356 3.070 20 5 DGBDMO C[N@H+]1C[C@@]23CN(c4ccc(F)cc4[N+](=O)[O-])C[C@]2(C1)CCCC3 ZINC001458718282 1182549711 /nfs/dbraw/zinc/54/97/11/1182549711.db2.gz PEIADSVGADQBET-CALCHBBNSA-N 1 1 319.380 3.046 20 5 DGBDMO O=[N+]([O-])c1ccc(C[NH2+]Cc2cccc3c2OC(F)(F)O3)cc1 ZINC001461088025 1182766280 /nfs/dbraw/zinc/76/62/80/1182766280.db2.gz GWLHSUYTJPETEI-UHFFFAOYSA-N 1 1 322.267 3.206 20 5 DGBDMO C[N@H+]1CCN(c2c3ccccc3ncc2[N+](=O)[O-])CCC1(C)C ZINC001472843083 1183689832 /nfs/dbraw/zinc/68/98/32/1183689832.db2.gz AFVAWYMTMYMIAQ-UHFFFAOYSA-N 1 1 314.389 3.064 20 5 DGBDMO COc1ccc(C[C@@H]2CC[N@H+]2Cc2ccccc2[N+](=O)[O-])cc1 ZINC001473217613 1183732357 /nfs/dbraw/zinc/73/23/57/1183732357.db2.gz BWVLNCPVIZPGGV-INIZCTEOSA-N 1 1 312.369 3.420 20 5 DGBDMO C[C@H](C(=O)Nc1ccc([N+](=O)[O-])cc1)[N@H+]1CC[C@H](C)C(C)(C)C1 ZINC001473365345 1183749028 /nfs/dbraw/zinc/74/90/28/1183749028.db2.gz NDXVIMZBEAXSKC-QWHCGFSZSA-N 1 1 319.405 3.290 20 5 DGBDMO Cc1ccc(CN2CC[N@H+](C)[C@@H](C(C)(C)C)C2)cc1[N+](=O)[O-] ZINC001473600283 1183779490 /nfs/dbraw/zinc/77/94/90/1183779490.db2.gz YNIAXUWZDVZRHM-MRXNPFEDSA-N 1 1 305.422 3.065 20 5 DGBDMO CC(C)(C)[C@@H]1CSCC[N@H+]1CCOc1ccccc1[N+](=O)[O-] ZINC001473751373 1183797015 /nfs/dbraw/zinc/79/70/15/1183797015.db2.gz UFPIRODABOCHQM-HNNXBMFYSA-N 1 1 324.446 3.437 20 5 DGBDMO C[C@@H]1CN(Cc2cccc([N+](=O)[O-])c2)CC[N@H+]1C1CCCC1 ZINC001473797357 1183804341 /nfs/dbraw/zinc/80/43/41/1183804341.db2.gz LRXSUFSDNSRQKL-CQSZACIVSA-N 1 1 303.406 3.044 20 5 DGBDMO Cc1c(C[N@H+](C)C[C@]23CCC[C@H]2OCC3)cccc1[N+](=O)[O-] ZINC001473897094 1183821925 /nfs/dbraw/zinc/82/19/25/1183821925.db2.gz IFNCQHSKWOKQFZ-IAGOWNOFSA-N 1 1 304.390 3.294 20 5 DGBDMO Cc1ccc([N+](=O)[O-])c(C)c1CNC[C@H]1CC[N@@H+]1C1CCCC1 ZINC001474231182 1183886864 /nfs/dbraw/zinc/88/68/64/1183886864.db2.gz UZCOZMURPNYUQT-MRXNPFEDSA-N 1 1 317.433 3.318 20 5 DGBDMO Cc1ccc([N+](=O)[O-])c(C)c1CNC[C@H]1CC[N@H+]1C1CCCC1 ZINC001474231182 1183886875 /nfs/dbraw/zinc/88/68/75/1183886875.db2.gz UZCOZMURPNYUQT-MRXNPFEDSA-N 1 1 317.433 3.318 20 5 DGBDMO O=[N+]([O-])c1cccc(C[NH2+]Cc2noc3ccc(F)cc32)c1 ZINC001474239743 1183887566 /nfs/dbraw/zinc/88/75/66/1183887566.db2.gz GNNDJYLNDCIUHC-UHFFFAOYSA-N 1 1 301.277 3.165 20 5 DGBDMO Cc1ccc(C[NH2+]Cc2cnc3ccccc3n2)cc1[N+](=O)[O-] ZINC001474666074 1183958533 /nfs/dbraw/zinc/95/85/33/1183958533.db2.gz WJVCWJSXWCNYPI-UHFFFAOYSA-N 1 1 308.341 3.136 20 5 DGBDMO CC[N@@H+](CCNc1ncc([N+](=O)[O-])c2ccccc21)C(C)C ZINC001611924015 1193443259 /nfs/dbraw/zinc/44/32/59/1193443259.db2.gz QRTYYFMRCHLPQP-UHFFFAOYSA-N 1 1 302.378 3.285 20 5 DGBDMO Cc1ccc([N+](=O)[O-])c(N2CCC(c3c[nH+]cn3C)CC2)c1 ZINC001516511862 1186785911 /nfs/dbraw/zinc/78/59/11/1186785911.db2.gz GASLVXJJWJSDJJ-UHFFFAOYSA-N 1 1 300.362 3.021 20 5 DGBDMO CC[N@@H+]1[C@H](C)CN(c2ccc([N+](=O)[O-])c3cccnc32)C[C@@H]1C ZINC001612819829 1193462026 /nfs/dbraw/zinc/46/20/26/1193462026.db2.gz DWAKKDUXMBMDCT-BETUJISGSA-N 1 1 314.389 3.062 20 5 DGBDMO O=[N+]([O-])c1ccc(NCc2c[nH+]c3n2CCC3)c(C(F)F)c1 ZINC001612917181 1193464263 /nfs/dbraw/zinc/46/42/63/1193464263.db2.gz PYBZQPQOLWZGAY-UHFFFAOYSA-N 1 1 308.288 3.287 20 5 DGBDMO Cc1cc(NC(=O)c2cc([N+](=O)[O-])c(C)cc2C)cn2cc[nH+]c12 ZINC001534363246 1187894424 /nfs/dbraw/zinc/89/44/24/1187894424.db2.gz XTXMKZZOXIWDRV-UHFFFAOYSA-N 1 1 324.340 3.420 20 5 DGBDMO CCC[N@H+]1CCC[C@H]1CNc1nc2c(cc1[N+](=O)[O-])CCCC2 ZINC001559185642 1189178461 /nfs/dbraw/zinc/17/84/61/1189178461.db2.gz ZVXCOWAYRNEBOZ-AWEZNQCLSA-N 1 1 318.421 3.155 20 5 DGBDMO CO[C@H]1C[C@@H]([N@@H+](C)Cc2ccc(C)c([N+](=O)[O-])c2)C12CCC2 ZINC001559839892 1189247112 /nfs/dbraw/zinc/24/71/12/1189247112.db2.gz QSMMFVCPXDNCOW-CVEARBPZSA-N 1 1 304.390 3.293 20 5 DGBDMO CO[C@@H]1C[C@@H]([N@@H+](C)Cc2ccc(C)c([N+](=O)[O-])c2)C12CCC2 ZINC001559839894 1189247698 /nfs/dbraw/zinc/24/76/98/1189247698.db2.gz QSMMFVCPXDNCOW-HZPDHXFCSA-N 1 1 304.390 3.293 20 5 DGBDMO O=[N+]([O-])c1ccc(OC2C[NH+](C[C@@H]3C[C@@H]3c3ccccc3)C2)cc1 ZINC001560876541 1189399060 /nfs/dbraw/zinc/39/90/60/1189399060.db2.gz OMMUHMAFBDSMAK-HNAYVOBHSA-N 1 1 324.380 3.462 20 5 DGBDMO C[C@H]([NH2+]Cc1cnc2ccccc2n1)c1ccc([N+](=O)[O-])cc1 ZINC001561005240 1189419258 /nfs/dbraw/zinc/41/92/58/1189419258.db2.gz KCKXUDVZMGBSRL-LBPRGKRZSA-N 1 1 308.341 3.389 20 5 DGBDMO CC1(C)[C@H](N)C[C@@H]1[NH2+][C@@H]1CCC[C@H]1Cc1ccccc1[N+](=O)[O-] ZINC001576384100 1191578110 /nfs/dbraw/zinc/57/81/10/1191578110.db2.gz UAAIWXQKOBVLCZ-JFOHDYCDSA-N 1 1 317.433 3.021 20 5 DGBDMO O=[N+]([O-])c1cccc([C@H](O)C[N@H+]2CC=CC23CCCCC3)c1 ZINC001620681230 1193790058 /nfs/dbraw/zinc/79/00/58/1193790058.db2.gz FXWNIQKNHMPYBK-MRXNPFEDSA-N 1 1 302.374 3.203 20 5 DGBDMO CCC[N@@H+](CC)C[C@@H](C)NCc1ccc(Cl)cc1[N+](=O)[O-] ZINC001621364926 1193834448 /nfs/dbraw/zinc/83/44/48/1193834448.db2.gz ZMRZCUFDLRCOOJ-GFCCVEGCSA-N 1 1 313.829 3.458 20 5 DGBDMO CC(C)(C)[C@H]1CCC[N@H+]1CCC(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC001641921857 1194879138 /nfs/dbraw/zinc/87/91/38/1194879138.db2.gz WRRHEDFPDYPKJU-OAHLLOKOSA-N 1 1 319.405 3.434 20 5 DGBDMO C[N@H+]1CCC[C@@H](CNc2cccc(C(F)(F)F)c2[N+](=O)[O-])C1 ZINC001642247620 1194895822 /nfs/dbraw/zinc/89/58/22/1194895822.db2.gz FPNPQRVAYYNGAF-JTQLQIEISA-N 1 1 317.311 3.367 20 5 DGBDMO CN(C[C@H]1CCC[N@H+]1C)c1c(Cl)c(Cl)ccc1[N+](=O)[O-] ZINC001642829661 1194944469 /nfs/dbraw/zinc/94/44/69/1194944469.db2.gz FMXRTZXLIAHPAO-SECBINFHSA-N 1 1 318.204 3.432 20 5 DGBDMO COCC[N@@H+](CCOc1ccc([N+](=O)[O-])cc1)[C@H]1CC[C@H](C)C1 ZINC001642938579 1194955465 /nfs/dbraw/zinc/95/54/65/1194955465.db2.gz YTPLIFGKZAYQLT-HOCLYGCPSA-N 1 1 322.405 3.111 20 5 DGBDMO CC[C@@H](C)[N@@H+](CC)CC(=O)Nc1ccc(Cl)c([N+](=O)[O-])c1 ZINC001643799391 1195056064 /nfs/dbraw/zinc/05/60/64/1195056064.db2.gz MYWORTUTTVPVJS-SNVBAGLBSA-N 1 1 313.785 3.307 20 5 DGBDMO COc1ccc2c(c1)C[N@H+](CC[N+](=O)[O-])[C@@H](C1CCCCC1)C2 ZINC001644785079 1195134545 /nfs/dbraw/zinc/13/45/45/1195134545.db2.gz HWLBPBRKFSLFEY-GOSISDBHSA-N 1 1 318.417 3.279 20 5 DGBDMO CC[C@H]1C[N@@H+](CC)CCN1Cc1ccc(Cl)c([N+](=O)[O-])c1 ZINC001645635105 1195195910 /nfs/dbraw/zinc/19/59/10/1195195910.db2.gz MOWOQVRLBJYTLK-ZDUSSCGKSA-N 1 1 311.813 3.164 20 5 DGBDMO CC[C@H]([NH2+]Cc1nccn1C1CC1)c1cccc([N+](=O)[O-])c1 ZINC001650879401 1195391408 /nfs/dbraw/zinc/39/14/08/1195391408.db2.gz HRDUXBXFBBFHPR-HNNXBMFYSA-N 1 1 300.362 3.367 20 5 DGBDMO C[C@H]1[C@@H](Nc2ccc([N+](=O)[O-])c(C(F)(F)F)c2)CC[N@H+]1C ZINC001652248936 1195568551 /nfs/dbraw/zinc/56/85/51/1195568551.db2.gz XSJRQEBJLHADJX-KWQFWETISA-N 1 1 303.284 3.118 20 5 DGBDMO CC(C)C[C@@H](CN1CCCC1)[NH2+]Cc1ccc([N+](=O)[O-])cc1F ZINC001652513613 1195609969 /nfs/dbraw/zinc/60/99/69/1195609969.db2.gz UIVRRQLQQKBWTF-HNNXBMFYSA-N 1 1 323.412 3.334 20 5 DGBDMO C[C@@H](C[NH+]1CC(Oc2ccc([N+](=O)[O-])cc2)C1)c1ccccc1 ZINC001652628578 1195628312 /nfs/dbraw/zinc/62/83/12/1195628312.db2.gz TUQHEINYVMNSHN-AWEZNQCLSA-N 1 1 312.369 3.462 20 5 DGBDMO C[C@H](Cc1cccs1)[N@@H+](C)C[C@H](O)c1ccc([N+](=O)[O-])cc1 ZINC001652665625 1195633634 /nfs/dbraw/zinc/63/36/34/1195633634.db2.gz OGUDSUKGTGVDJC-WBMJQRKESA-N 1 1 320.414 3.253 20 5 DGBDMO Cc1c(C[N@H+](CCO)[C@@H](C)c2ccccc2)cccc1[N+](=O)[O-] ZINC001652954557 1195675011 /nfs/dbraw/zinc/67/50/11/1195675011.db2.gz RSLLWJXXMBCBFG-HNNXBMFYSA-N 1 1 314.385 3.459 20 5 DGBDMO CCCC[N@@H+](CCn1ccc([N+](=O)[O-])n1)[C@@H]1CCC[C@@H](C)C1 ZINC001653736471 1195747138 /nfs/dbraw/zinc/74/71/38/1195747138.db2.gz ULQUCCNXZLYFBB-HUUCEWRRSA-N 1 1 308.426 3.472 20 5 DGBDMO COc1ccc(OCC[N@H+]2CC[C@H](C(C)(C)C)C2)c([N+](=O)[O-])c1 ZINC001653862457 1195755494 /nfs/dbraw/zinc/75/54/94/1195755494.db2.gz HRUGWEYPDONMHV-ZDUSSCGKSA-N 1 1 322.405 3.350 20 5 DGBDMO O=[N+]([O-])c1cccc(OCC[N@H+]2CC[C@H](C3CCCC3)C2)c1 ZINC001653950934 1195762568 /nfs/dbraw/zinc/76/25/68/1195762568.db2.gz ZXRLFBUQIAORHT-HNNXBMFYSA-N 1 1 304.390 3.486 20 5 DGBDMO O=[N+]([O-])c1ccc(OCCC[N@H+]2CCC[C@@H](CCF)C2)cc1 ZINC001654235188 1195787069 /nfs/dbraw/zinc/78/70/69/1195787069.db2.gz CWYPIJRCFKQLFC-AWEZNQCLSA-N 1 1 310.369 3.435 20 5 DGBDMO C[N@H+]1C[C@@]2(C)CN(Cc3ccc(Cl)cc3[N+](=O)[O-])C[C@@]2(C)C1 ZINC001655234428 1195894798 /nfs/dbraw/zinc/89/47/98/1195894798.db2.gz IODWMVAILNCZRX-IYBDPMFKSA-N 1 1 323.824 3.022 20 5 DGBDMO Cc1c(CN[C@@H](C)C[N@@H+]2C[C@H](C)C[C@H](C)C2)cccc1[N+](=O)[O-] ZINC001655404296 1195912550 /nfs/dbraw/zinc/91/25/50/1195912550.db2.gz UXNYBEAGGWBIPM-ZNMIVQPWSA-N 1 1 319.449 3.359 20 5 DGBDMO Cc1c(C[NH2+][C@@H](C)CN2C[C@H](C)C[C@H](C)C2)cccc1[N+](=O)[O-] ZINC001655404296 1195912551 /nfs/dbraw/zinc/91/25/51/1195912551.db2.gz UXNYBEAGGWBIPM-ZNMIVQPWSA-N 1 1 319.449 3.359 20 5 DGBDMO Cc1cc([N+](=O)[O-])ccc1NC(=O)C[N@H+](C)C[C@H](C)C(C)(C)C ZINC001655535979 1195929487 /nfs/dbraw/zinc/92/94/87/1195929487.db2.gz SZVNWWYKWMXDRZ-ZDUSSCGKSA-N 1 1 321.421 3.456 20 5 DGBDMO C[C@H]([NH2+]CCN1C[C@@H](C)C[C@H](C)C1)c1ccc([N+](=O)[O-])cc1 ZINC001655554347 1195931278 /nfs/dbraw/zinc/93/12/78/1195931278.db2.gz DWZZDNWGEQUUIN-KKUMJFAQSA-N 1 1 305.422 3.223 20 5 DGBDMO Cc1ncc([N+](=O)[O-])n1CC[N@@H+](C1CC1)C1CCC(C)CC1 ZINC001657005172 1196092457 /nfs/dbraw/zinc/09/24/57/1196092457.db2.gz KHMGFZSGJIFZMB-UHFFFAOYSA-N 1 1 306.410 3.143 20 5 DGBDMO COc1c(O)ccc(C[N@H+]2CCC[C@H]2CC(C)C)c1[N+](=O)[O-] ZINC001657388661 1196136416 /nfs/dbraw/zinc/13/64/16/1196136416.db2.gz ZUOLPVZOTHJIQX-ZDUSSCGKSA-N 1 1 308.378 3.320 20 5 DGBDMO O=[N+]([O-])c1ccc(C[N@@H+]2CCC=C(c3ccccn3)C2)c(F)c1 ZINC001658743526 1196295282 /nfs/dbraw/zinc/29/52/82/1196295282.db2.gz MJEVYSYZDFUWGW-UHFFFAOYSA-N 1 1 313.332 3.418 20 5 DGBDMO O=[N+]([O-])c1ccc(C[N@H+]2CCC=C(c3ccccn3)C2)c(F)c1 ZINC001658743526 1196295289 /nfs/dbraw/zinc/29/52/89/1196295289.db2.gz MJEVYSYZDFUWGW-UHFFFAOYSA-N 1 1 313.332 3.418 20 5 DGBDMO O=[N+]([O-])c1ccc(Cl)c(C[N@@H+]2CC[C@H](O)[C@H]3CCCC[C@H]32)c1 ZINC001659889651 1196425988 /nfs/dbraw/zinc/42/59/88/1196425988.db2.gz QYGLQUDTZBWLFH-IMJJTQAJSA-N 1 1 324.808 3.374 20 5 DGBDMO CCOc1cc(C[N@H+]2CCCSC[C@H]2C)ccc1[N+](=O)[O-] ZINC001660542124 1196495551 /nfs/dbraw/zinc/49/55/51/1196495551.db2.gz GWQZVJZVJSJAMW-GFCCVEGCSA-N 1 1 310.419 3.321 20 5 DGBDMO O=[N+]([O-])c1cccc(F)c1C[N@@H+]1CCCC[C@@]12CCCOC2 ZINC001660701716 1196514378 /nfs/dbraw/zinc/51/43/78/1196514378.db2.gz WYYSLDLVHAQCRM-INIZCTEOSA-N 1 1 308.353 3.269 20 5 DGBDMO O=[N+]([O-])c1cccc(F)c1C[N@H+]1CCCC[C@@]12CCCOC2 ZINC001660701716 1196514382 /nfs/dbraw/zinc/51/43/82/1196514382.db2.gz WYYSLDLVHAQCRM-INIZCTEOSA-N 1 1 308.353 3.269 20 5 DGBDMO C[C@H]([NH2+]Cc1ccc2oc(=O)oc2c1)c1ccccc1[N+](=O)[O-] ZINC001663200963 1196810402 /nfs/dbraw/zinc/81/04/02/1196810402.db2.gz SBRCUJMASIWIFQ-JTQLQIEISA-N 1 1 314.297 3.145 20 5 DGBDMO CCO[C@H]1C[C@@H]([N@@H+](C)Cc2ccc(F)cc2[N+](=O)[O-])C1(C)C ZINC001167473049 1082202798 /nfs/dbraw/zinc/20/27/98/1082202798.db2.gz FNKPFJLPGLXPEA-CABCVRRESA-N 1 1 310.369 3.369 20 5 DGBDMO COc1ccc(C[C@H](C)[N@@H+](C)Cc2ccncc2)c([N+](=O)[O-])c1 ZINC001170326693 1082346654 /nfs/dbraw/zinc/34/66/54/1082346654.db2.gz BPZZSKYEXAEUNG-ZDUSSCGKSA-N 1 1 315.373 3.061 20 5 DGBDMO COc1ccc(C[C@@H](C)[N@H+]2C[C@@H]3CCC[C@@H]3C2)c([N+](=O)[O-])c1 ZINC001170328341 1082347378 /nfs/dbraw/zinc/34/73/78/1082347378.db2.gz JXVADMSFXJSHOF-YUELXQCFSA-N 1 1 304.390 3.266 20 5 DGBDMO COc1ccc(C[C@H](C)[N@H+]2CCCC[C@H](F)C2)c([N+](=O)[O-])c1 ZINC001170329777 1082347851 /nfs/dbraw/zinc/34/78/51/1082347851.db2.gz UHZIFHVLBUQJIM-JSGCOSHPSA-N 1 1 310.369 3.358 20 5 DGBDMO COc1ccc(C[C@@H](C)[N@@H+]2CCC[C@](C)(F)C2)c([N+](=O)[O-])c1 ZINC001170334383 1082349326 /nfs/dbraw/zinc/34/93/26/1082349326.db2.gz CTWPIURTZLUBMT-WBMJQRKESA-N 1 1 310.369 3.358 20 5 DGBDMO COc1ccc(C[C@@H](C)[N@H+]2CCC[C@](C)(F)C2)c([N+](=O)[O-])c1 ZINC001170334383 1082349330 /nfs/dbraw/zinc/34/93/30/1082349330.db2.gz CTWPIURTZLUBMT-WBMJQRKESA-N 1 1 310.369 3.358 20 5 DGBDMO COc1ccc(C[C@@H](C)[N@@H+](C)C[C@H]2CCCCO2)c([N+](=O)[O-])c1 ZINC001170345423 1082356530 /nfs/dbraw/zinc/35/65/30/1082356530.db2.gz KGHNZAFHNYFHOW-CZUORRHYSA-N 1 1 322.405 3.035 20 5 DGBDMO COc1ccc(C[C@@H](C)[N@H+]2CC3CCC2CC3)c([N+](=O)[O-])c1 ZINC001170348217 1082356737 /nfs/dbraw/zinc/35/67/37/1082356737.db2.gz VTFRFBCUWUDPFX-DNOWBOINSA-N 1 1 304.390 3.409 20 5 DGBDMO CC(C)[N@H+]1CCN(c2ccc3cccc([N+](=O)[O-])c3n2)C[C@@H]1C ZINC001158494477 1087870251 /nfs/dbraw/zinc/87/02/51/1087870251.db2.gz KIDGMSLKJGNPIG-ZDUSSCGKSA-N 1 1 314.389 3.062 20 5 DGBDMO CC[N@H+]1CCN(c2ccc3ccc([N+](=O)[O-])cc3n2)C(C)(C)C1 ZINC001158563091 1087914359 /nfs/dbraw/zinc/91/43/59/1087914359.db2.gz WIMWSQWAUCPIKJ-UHFFFAOYSA-N 1 1 314.389 3.064 20 5 DGBDMO Cc1ccc(Nc2cc([C@H]3CCCC[NH2+]3)no2)c([N+](=O)[O-])c1 ZINC001159314109 1088285458 /nfs/dbraw/zinc/28/54/58/1088285458.db2.gz XYIYKJQQUVLSFS-LLVKDONJSA-N 1 1 302.334 3.449 20 5 DGBDMO C[N@H+]1CCC[C@@H]1CCNc1ccc2cccc([N+](=O)[O-])c2n1 ZINC001160964806 1089047697 /nfs/dbraw/zinc/04/76/97/1089047697.db2.gz QKYFYPSAWXLADW-CYBMUJFWSA-N 1 1 300.362 3.039 20 5 DGBDMO Cc1cc(Cl)nc(NCc2[nH+]cn3ccccc23)c1[N+](=O)[O-] ZINC001161684289 1089343520 /nfs/dbraw/zinc/34/35/20/1089343520.db2.gz NAQXOVWAGBFPRA-UHFFFAOYSA-N 1 1 317.736 3.211 20 5 DGBDMO C[N@H+]1CCC[C@](C)(Nc2nc3ccccc3cc2[N+](=O)[O-])C1 ZINC001162336803 1089676979 /nfs/dbraw/zinc/67/69/79/1089676979.db2.gz HCNAUMVLPHDDTB-INIZCTEOSA-N 1 1 300.362 3.039 20 5 DGBDMO C[N@H+](Cc1ccc2ccc3cccc4ccc1c2c34)C[C@@H](O)CO ZINC001204001314 1090864435 /nfs/dbraw/zinc/86/44/35/1090864435.db2.gz FGZTUMFBYCQKGJ-GOSISDBHSA-N 1 1 319.404 3.369 20 5 DGBDMO [NH3+][C@@H]1CCCN(Cc2ccc3ccc4cccnc4c3n2)CC1 ZINC001205117340 1091106469 /nfs/dbraw/zinc/10/64/69/1091106469.db2.gz OHJPMPBQGBNNCB-MRXNPFEDSA-N 1 1 306.413 3.096 20 5 DGBDMO CN1CC[N@@H+](Cc2c3ccccc3cc3ccccc32)CC1=O ZINC001141723398 1092323900 /nfs/dbraw/zinc/32/39/00/1092323900.db2.gz WNPSCGSTCKQOLU-UHFFFAOYSA-N 1 1 304.393 3.267 20 5 DGBDMO COc1cccc([C@@H]2CCC[N@H+]([C@@H]3CC[C@H](C[N+](=O)[O-])C3)C2)c1 ZINC001169040925 1092500668 /nfs/dbraw/zinc/50/06/68/1092500668.db2.gz ADNLMPNXSYMMJI-USXIJHARSA-N 1 1 318.417 3.320 20 5 DGBDMO COc1ccccc1[C@@H]1CCC[N@H+]1[C@H]1CC[C@@H](C[N+](=O)[O-])C1 ZINC001169038328 1092502183 /nfs/dbraw/zinc/50/21/83/1092502183.db2.gz YCZXWGJLALXMHQ-YCPHGPKFSA-N 1 1 304.390 3.278 20 5 DGBDMO CNc1cc(-n2c3ccccc3cc3c(=O)c(N)ccc2-3)cc[nH+]1 ZINC001216336820 1094177383 /nfs/dbraw/zinc/17/73/83/1094177383.db2.gz GYDZJGIQLFOMGJ-UHFFFAOYSA-N 1 1 316.364 3.114 20 5 DGBDMO O=[N+]([O-])c1ccc(-c2ccc(O[C@H]3C[NH2+]CC3(F)F)cc2)cc1 ZINC001218231461 1094668106 /nfs/dbraw/zinc/66/81/06/1094668106.db2.gz KQOKZVKMUURBQP-HNNXBMFYSA-N 1 1 320.295 3.248 20 5 DGBDMO Cc1ccc([N+](=O)[O-])c(C)c1C[N@H+]1CC[C@@H]2OCCC[C@H]2C1 ZINC001336721651 1094709997 /nfs/dbraw/zinc/70/99/97/1094709997.db2.gz NIRFAYRULRBOEW-YOEHRIQHSA-N 1 1 304.390 3.213 20 5 DGBDMO C[C@@H]1C[N@H+](C2CC2)C[C@H]1Nc1nccc2cc([N+](=O)[O-])ccc21 ZINC001337066209 1094839462 /nfs/dbraw/zinc/83/94/62/1094839462.db2.gz FUWDCYIONANMSX-BDJLRTHQSA-N 1 1 312.373 3.038 20 5 DGBDMO O=[N+]([O-])c1cccc(OCC[N@H+]2CC[C@@H]3CCCC[C@H]3C2)c1 ZINC001337406380 1094964381 /nfs/dbraw/zinc/96/43/81/1094964381.db2.gz BXMAUPJFQKIZSX-GJZGRUSLSA-N 1 1 304.390 3.486 20 5 DGBDMO CS[C@H]1CC[C@@H]([N@@H+](C)Cn2ncc3cc([N+](=O)[O-])ccc32)C1 ZINC001116145497 1095469738 /nfs/dbraw/zinc/46/97/38/1095469738.db2.gz GYXNVBVPBLSIGL-OCCSQVGLSA-N 1 1 320.418 3.118 20 5 DGBDMO O=[N+]([O-])c1ccccc1CO[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC001222760982 1095743963 /nfs/dbraw/zinc/74/39/63/1095743963.db2.gz ACZCQQAMEPCJSV-KRWDZBQOSA-N 1 1 312.369 3.386 20 5 DGBDMO CC[N@H+]1CCC[C@@H](CNc2ccnc3c2cccc3[N+](=O)[O-])C1 ZINC001118516747 1096026001 /nfs/dbraw/zinc/02/60/01/1096026001.db2.gz LEHJYLUELYICAT-ZDUSSCGKSA-N 1 1 314.389 3.287 20 5 DGBDMO Cc1cc([N+](=O)[O-])c(O[C@H]2CCC[N@H+](C(C)C)C2)c([N+](=O)[O-])c1 ZINC001225601040 1096479284 /nfs/dbraw/zinc/47/92/84/1096479284.db2.gz MBDPVVAQQHGDHP-LBPRGKRZSA-N 1 1 323.349 3.063 20 5 DGBDMO CC[N@H+]1CCC[C@@H](Oc2ccc([N+](=O)[O-])c(C(F)(F)F)c2)C1 ZINC001225919163 1096564935 /nfs/dbraw/zinc/56/49/35/1096564935.db2.gz QLYFTZXHIKQJIN-LLVKDONJSA-N 1 1 318.295 3.477 20 5 DGBDMO C[N@@H+]1[C@@H]2CC[C@H]1C[C@H](Oc1cc([N+](=O)[O-])c(F)cc1Cl)C2 ZINC001226195442 1096634934 /nfs/dbraw/zinc/63/49/34/1096634934.db2.gz IFKLQRNJAYPINW-ILWJIGKKSA-N 1 1 314.744 3.391 20 5 DGBDMO C[N@H+]1CCC[C@@H](Oc2cc([N+](=O)[O-])c(F)cc2Cl)CC1 ZINC001226196869 1096636028 /nfs/dbraw/zinc/63/60/28/1096636028.db2.gz VXIGOWHRVRKRDB-SECBINFHSA-N 1 1 302.733 3.250 20 5 DGBDMO C[N@H+]1CCC[C@@H](Oc2cc(C(F)(F)F)ccc2[N+](=O)[O-])CC1 ZINC001226301994 1096656472 /nfs/dbraw/zinc/65/64/72/1096656472.db2.gz TUYUZZQBTORLMI-LLVKDONJSA-N 1 1 318.295 3.477 20 5 DGBDMO CC(=O)c1cc([N+](=O)[O-])ccc1O[C@H]1CCC[N@H+](C(C)C)C1 ZINC001226532659 1096715925 /nfs/dbraw/zinc/71/59/25/1096715925.db2.gz WCAZYYZARYVMSG-AWEZNQCLSA-N 1 1 306.362 3.049 20 5 DGBDMO C[N@@H+]1C[C@H]2CCC[C@@H](C1)[C@H]2Oc1ccc([N+](=O)[O-])cc1Cl ZINC001226761565 1096769795 /nfs/dbraw/zinc/76/97/95/1096769795.db2.gz WZWKKPNAKQMIRA-HBYGRHMLSA-N 1 1 310.781 3.357 20 5 DGBDMO O=[N+]([O-])c1cccc(O[C@H]2CCN3Cc4ccccc4[NH+]=C23)c1 ZINC001226763686 1096770586 /nfs/dbraw/zinc/77/05/86/1096770586.db2.gz ZNZAMYGXHFBYJK-INIZCTEOSA-N 1 1 309.325 3.292 20 5 DGBDMO C[N@@H+]1C[C@H]2CCC[C@@H](C1)[C@H]2Oc1cc([N+](=O)[O-])ccc1Cl ZINC001226804428 1096782584 /nfs/dbraw/zinc/78/25/84/1096782584.db2.gz KDFIGZYIPSFIDI-HBYGRHMLSA-N 1 1 310.781 3.357 20 5 DGBDMO Cc1ccc([N+](=O)[O-])c(Cl)c1O[C@@H]1CCc2[nH+]ccn2C1 ZINC001226992290 1096837636 /nfs/dbraw/zinc/83/76/36/1096837636.db2.gz RMYSCXDCCKJYFP-SNVBAGLBSA-N 1 1 307.737 3.147 20 5 DGBDMO O=[N+]([O-])c1ccc(CC[N@H+]2CC[C@H](Oc3ccccc3)C2)cc1 ZINC001171538374 1096910648 /nfs/dbraw/zinc/91/06/48/1096910648.db2.gz IQXIYUJWMSXFRE-SFHVURJKSA-N 1 1 312.369 3.291 20 5 DGBDMO O=[N+]([O-])c1ccc(O[C@H]2CCN3Cc4ccccc4[NH+]=C23)cc1 ZINC001227523982 1096944065 /nfs/dbraw/zinc/94/40/65/1096944065.db2.gz VDZFEAKOBSXASH-INIZCTEOSA-N 1 1 309.325 3.292 20 5 DGBDMO C[N@@H+]1[C@@H]2CC[C@H]1C[C@H](Oc1ccc([N+](=O)[O-])c3cccnc13)C2 ZINC001228136190 1097060833 /nfs/dbraw/zinc/06/08/33/1097060833.db2.gz QOXNSLHYDRWKGA-CLLJXQQHSA-N 1 1 313.357 3.147 20 5 DGBDMO O=[N+]([O-])c1ccc2c(c1)CC[C@H]([N@H+]1C[C@@H]3C[C@@H]3[C@@H](F)C1)CC2 ZINC001172902414 1097268329 /nfs/dbraw/zinc/26/83/29/1097268329.db2.gz BGXXFDSNVBRFMJ-FSDCSDTHSA-N 1 1 304.365 3.132 20 5 DGBDMO O=[N+]([O-])c1ccc2c(c1)CC[C@@H]([N@@H+]1C[C@H]3[C@H](CC3(F)F)C1)CC2 ZINC001172903987 1097269450 /nfs/dbraw/zinc/26/94/50/1097269450.db2.gz KSDSWPACPAQGRO-YCPHGPKFSA-N 1 1 322.355 3.429 20 5 DGBDMO O=[N+]([O-])c1ccc2c(c1)CC[C@H]([N@H+]1CCc3ccncc3C1)CC2 ZINC001172915259 1097278978 /nfs/dbraw/zinc/27/89/78/1097278978.db2.gz MTEYXWMKTOCPRT-GOSISDBHSA-N 1 1 323.396 3.296 20 5 DGBDMO O=[N+]([O-])c1ccc2c(c1)CC[C@H]([N@H+]1CCC[C@@]3(CCO3)C1)CC2 ZINC001172915257 1097279140 /nfs/dbraw/zinc/27/91/40/1097279140.db2.gz MSCAGJOUPWQFKU-SJLPKXTDSA-N 1 1 316.401 3.097 20 5 DGBDMO O=[N+]([O-])c1ccc2c(c1)CC[C@H]([N@@H+]1CCOCC13CCC3)CC2 ZINC001172917620 1097280307 /nfs/dbraw/zinc/28/03/07/1097280307.db2.gz WDKSYKQCFOWKLR-MRXNPFEDSA-N 1 1 316.401 3.097 20 5 DGBDMO O=[N+]([O-])c1ccc2c(c1)CC[C@H]([N@H+]1CCOCC13CCC3)CC2 ZINC001172917620 1097280311 /nfs/dbraw/zinc/28/03/11/1097280311.db2.gz WDKSYKQCFOWKLR-MRXNPFEDSA-N 1 1 316.401 3.097 20 5 DGBDMO CC(=O)[C@H]1CCC[N@H+]([C@@H]2CCc3ccc([N+](=O)[O-])cc3CC2)C1 ZINC001172920028 1097280779 /nfs/dbraw/zinc/28/07/79/1097280779.db2.gz HUMOZLIOURBIHE-DLBZAZTESA-N 1 1 316.401 3.143 20 5 DGBDMO CC(=O)[C@@H]1CCC[N@H+]([C@@H]2CCc3ccc([N+](=O)[O-])cc3CC2)C1 ZINC001172920029 1097281154 /nfs/dbraw/zinc/28/11/54/1097281154.db2.gz HUMOZLIOURBIHE-IAGOWNOFSA-N 1 1 316.401 3.143 20 5 DGBDMO C[N@H+]1CCC[C@H](Oc2cc([N+](=O)[O-])cc3cccnc32)CC1 ZINC001229344401 1097301384 /nfs/dbraw/zinc/30/13/84/1097301384.db2.gz YFVVVHCWSVMXBK-AWEZNQCLSA-N 1 1 301.346 3.006 20 5 DGBDMO CC[N@H+]1CCC[C@H](Oc2cc([N+](=O)[O-])cc3cccnc32)C1 ZINC001229344262 1097301587 /nfs/dbraw/zinc/30/15/87/1097301587.db2.gz VBJUGXGQEDEJGF-AWEZNQCLSA-N 1 1 301.346 3.006 20 5 DGBDMO COc1ccc([N+](=O)[O-])c(C[C@H](C)[N@H+]2C[C@@H]3CCC[C@@H]3C2)c1F ZINC001173180117 1097356674 /nfs/dbraw/zinc/35/66/74/1097356674.db2.gz IMGMOMHLQBIVIL-RWMBFGLXSA-N 1 1 322.380 3.405 20 5 DGBDMO C[C@H](Cc1ccc([N+](=O)[O-])cc1)[N@H+]1CCC[C@@](C)(O)[C@H](C)C1 ZINC001173221669 1097372252 /nfs/dbraw/zinc/37/22/52/1097372252.db2.gz LFJBQJLDOGSVAW-CKEIUWERSA-N 1 1 306.406 3.009 20 5 DGBDMO C[C@@H](Cc1ccc([N+](=O)[O-])cc1)[N@H+]1CC[C@H]2CCCO[C@@H]2C1 ZINC001173223023 1097373091 /nfs/dbraw/zinc/37/30/91/1097373091.db2.gz WJYUYZJAZVRIIZ-YSVLISHTSA-N 1 1 304.390 3.027 20 5 DGBDMO Cc1cc(O)c(O[C@H]2C[C@H]3CC[C@@H](C2)[N@@H+]3C(C)C)cc1[N+](=O)[O-] ZINC001229754444 1097377929 /nfs/dbraw/zinc/37/79/29/1097377929.db2.gz PUNOMWCOMDBVOU-WDNDVIMCSA-N 1 1 320.389 3.391 20 5 DGBDMO C[C@@H](Cc1ccc([N+](=O)[O-])cc1)N1CCC([N@@H+](C)C2CC2)CC1 ZINC001173233662 1097378196 /nfs/dbraw/zinc/37/81/96/1097378196.db2.gz XWPHJERGHVQBOK-AWEZNQCLSA-N 1 1 317.433 3.084 20 5 DGBDMO c1cnc2c(c1)ccc1ccc(C[N@H+]3CCC4(COC4)C3)nc12 ZINC001232217902 1097970315 /nfs/dbraw/zinc/97/03/15/1097970315.db2.gz BTWBQEGKIBERHD-UHFFFAOYSA-N 1 1 305.381 3.005 20 5 DGBDMO O[C@@H]1CCCC[N@@H+](Cc2ccc3ccc4cccnc4c3n2)C1 ZINC001232219147 1097971675 /nfs/dbraw/zinc/97/16/75/1097971675.db2.gz RUTAZKLKQPYFRC-QGZVFWFLSA-N 1 1 307.397 3.130 20 5 DGBDMO c1cnc2c(c1)ccc1ccc(C[NH+]3CCN(C4CC4)CC3)nc12 ZINC001232218904 1097972295 /nfs/dbraw/zinc/97/22/95/1097972295.db2.gz PBBMLQXSFMXEOS-UHFFFAOYSA-N 1 1 318.424 3.063 20 5 DGBDMO CCOC(=O)CC[N@@H+](C)Cc1ccc2ccc3cccnc3c2n1 ZINC001232223459 1097973375 /nfs/dbraw/zinc/97/33/75/1097973375.db2.gz NDHQVMQDUMMJAA-UHFFFAOYSA-N 1 1 323.396 3.168 20 5 DGBDMO COc1ccc(Nc2ccc3c(c2)C[N@H+](C)CC3)cc1[N+](=O)[O-] ZINC001176366076 1098333319 /nfs/dbraw/zinc/33/33/19/1098333319.db2.gz NOBSQBYCSURJSX-UHFFFAOYSA-N 1 1 313.357 3.335 20 5 DGBDMO COc1cc([N+](=O)[O-])ccc1C[N@H+]1CCCSC[C@@H]1C1CC1 ZINC001176639902 1098396088 /nfs/dbraw/zinc/39/60/88/1098396088.db2.gz JXCITUKQNHEBMO-OAHLLOKOSA-N 1 1 322.430 3.321 20 5 DGBDMO CC(C)[N@H+]1CCC[C@H](Oc2ccc3cccc([N+](=O)[O-])c3n2)C1 ZINC001233837112 1098440334 /nfs/dbraw/zinc/44/03/34/1098440334.db2.gz UIRGDVDXPCZTCQ-AWEZNQCLSA-N 1 1 315.373 3.395 20 5 DGBDMO CC(C)(C)[NH+]1CC(Oc2nccc3c2cccc3[N+](=O)[O-])C1 ZINC001234674163 1098641269 /nfs/dbraw/zinc/64/12/69/1098641269.db2.gz JHLGUIFGOKZEOU-UHFFFAOYSA-N 1 1 301.346 3.005 20 5 DGBDMO c1ccc2c(c1)cc1ccccc1c2C[N@H+]1C[C@@H]2COC[C@H](C1)N2 ZINC001235298645 1098948118 /nfs/dbraw/zinc/94/81/18/1098948118.db2.gz INFHQWPKXINRAB-HDICACEKSA-N 1 1 318.420 3.166 20 5 DGBDMO COc1ccc(C[NH2+]Cc2cc(O)ccc2Cl)cc1[N+](=O)[O-] ZINC001179457536 1099105368 /nfs/dbraw/zinc/10/53/68/1099105368.db2.gz GJYBJWMQQDMYFO-UHFFFAOYSA-N 1 1 322.748 3.252 20 5 DGBDMO CCC[N@@H+](CC(C)C)[C@@H](C)C(=O)Nc1cccc([N+](=O)[O-])c1 ZINC001190643133 1100313540 /nfs/dbraw/zinc/31/35/40/1100313540.db2.gz JHZKYHCBZDDPLL-ZDUSSCGKSA-N 1 1 307.394 3.290 20 5 DGBDMO O=[N+]([O-])c1cccc(OCC[NH2+][C@@H](CF)c2ccc(F)cc2)c1 ZINC001197135072 1101476029 /nfs/dbraw/zinc/47/60/29/1101476029.db2.gz GMINLIADENHSDS-INIZCTEOSA-N 1 1 322.311 3.413 20 5 DGBDMO C[C@@H](NCC[N@@H+]1C[C@H](C)C[C@H](C)C1)c1ccc([N+](=O)[O-])cc1 ZINC001197646331 1101621244 /nfs/dbraw/zinc/62/12/44/1101621244.db2.gz DWZZDNWGEQUUIN-QLFBSQMISA-N 1 1 305.422 3.223 20 5 DGBDMO C[C@@H]([NH2+]CCN1C[C@H](C)C[C@H](C)C1)c1ccc([N+](=O)[O-])cc1 ZINC001197646331 1101621247 /nfs/dbraw/zinc/62/12/47/1101621247.db2.gz DWZZDNWGEQUUIN-QLFBSQMISA-N 1 1 305.422 3.223 20 5 DGBDMO COc1cc([N+](=O)[O-])ccc1C[N@H+]1C[C@H]2[C@H]3C=C[C@H](C3)[C@@]2(C)C1 ZINC001198252434 1101797682 /nfs/dbraw/zinc/79/76/82/1101797682.db2.gz UUKBWTTZNNNFMY-PZMTTYODSA-N 1 1 314.385 3.247 20 5 DGBDMO O=[N+]([O-])c1ccc(C[N@H+]2CCCSC[C@H]2C2CC2)c(F)c1 ZINC001198271106 1101815232 /nfs/dbraw/zinc/81/52/32/1101815232.db2.gz UFBOJUSPSWRROW-HNNXBMFYSA-N 1 1 310.394 3.451 20 5 DGBDMO O=[N+]([O-])c1ccccc1OCC[N@H+]1CCCC[C@H]1[C@H]1CCCO1 ZINC001198685181 1101958581 /nfs/dbraw/zinc/95/85/81/1101958581.db2.gz HXKIBZCVUNVVGS-GOEBONIOSA-N 1 1 320.389 3.007 20 5 DGBDMO CCn1cnc(Cl)c1C[NH2+]Cc1cccc([N+](=O)[O-])c1C ZINC001201988514 1102788442 /nfs/dbraw/zinc/78/84/42/1102788442.db2.gz BAPHGOJNFWTOSI-UHFFFAOYSA-N 1 1 308.769 3.063 20 5 DGBDMO Cc1ccc([N+](=O)[O-])c(C)c1C[NH2+]Cc1ccc2cncn2c1 ZINC001202750237 1104204275 /nfs/dbraw/zinc/20/42/75/1104204275.db2.gz POTBMDDIDBMHNM-UHFFFAOYSA-N 1 1 310.357 3.149 20 5 DGBDMO Cc1ccc([N+](=O)[O-])c(C)c1CNCc1ccc2c[nH+]cn2c1 ZINC001202750237 1104204281 /nfs/dbraw/zinc/20/42/81/1104204281.db2.gz POTBMDDIDBMHNM-UHFFFAOYSA-N 1 1 310.357 3.149 20 5 DGBDMO Cc1ccc(-c2noc([C@@H]([NH3+])Cc3ccccc3[N+](=O)[O-])n2)cc1 ZINC001247667087 1104955574 /nfs/dbraw/zinc/95/55/74/1104955574.db2.gz UXVMKGMUNVUDLP-AWEZNQCLSA-N 1 1 324.340 3.196 20 5 DGBDMO Cc1cc(Nc2cc3nc4ccccc4nc3cc2N)c[nH+]c1N ZINC001249787492 1105381001 /nfs/dbraw/zinc/38/10/01/1105381001.db2.gz LRAPCUAUAXWNRE-UHFFFAOYSA-N 1 1 316.368 3.394 20 5 DGBDMO CC[N@H+]1CCC[C@H](CN[C@H](C)c2cc([N+](=O)[O-])ccc2C)C1 ZINC001253094261 1105886972 /nfs/dbraw/zinc/88/69/72/1105886972.db2.gz BANZXHJUWLMEJH-HUUCEWRRSA-N 1 1 305.422 3.286 20 5 DGBDMO CCC(CC)[N@@H+]1CC[C@H](N[C@H](C)Cc2ccccc2[N+](=O)[O-])C1 ZINC001254547481 1106100353 /nfs/dbraw/zinc/10/03/53/1106100353.db2.gz ISKBUGNCWMXLMI-ZBFHGGJFSA-N 1 1 319.449 3.378 20 5 DGBDMO CCC(CC)[N@H+]1CC[C@H](N[C@H](C)Cc2ccccc2[N+](=O)[O-])C1 ZINC001254547481 1106100356 /nfs/dbraw/zinc/10/03/56/1106100356.db2.gz ISKBUGNCWMXLMI-ZBFHGGJFSA-N 1 1 319.449 3.378 20 5 DGBDMO C[C@@H](Cc1ccccc1[N+](=O)[O-])[N@H+]1CC(C)(C)C[C@]1(C)CO ZINC001254551471 1106101806 /nfs/dbraw/zinc/10/18/06/1106101806.db2.gz BOYDKJWKOAKTDC-SUMWQHHRSA-N 1 1 306.406 3.009 20 5 DGBDMO C[C@@H](Cc1ccccc1[N+](=O)[O-])N1CCC([N@@H+](C)C2CC2)CC1 ZINC001254563875 1106104193 /nfs/dbraw/zinc/10/41/93/1106104193.db2.gz FTJUJHYQCIJELB-AWEZNQCLSA-N 1 1 317.433 3.084 20 5 DGBDMO O=[N+]([O-])c1ccc2c(c1)C[C@@H]([N@H+]1CCC[C@H]1c1nccs1)C2 ZINC001254604896 1106111473 /nfs/dbraw/zinc/11/14/73/1106111473.db2.gz YFMFRGZLMOFICN-GJZGRUSLSA-N 1 1 315.398 3.356 20 5 DGBDMO O=[N+]([O-])c1ccc2c(c1)C[C@H]([N@H+]1CCc3ccsc3C1)C2 ZINC001254600727 1106111487 /nfs/dbraw/zinc/11/14/87/1106111487.db2.gz QXYNPBMZXFELJJ-OAHLLOKOSA-N 1 1 300.383 3.182 20 5 DGBDMO C[N@@H+](CCC(=O)c1ccccc1)[C@@H]1Cc2ccc([N+](=O)[O-])cc2C1 ZINC001254602849 1106111703 /nfs/dbraw/zinc/11/17/03/1106111703.db2.gz JGUOLIZWLVCYGB-GOSISDBHSA-N 1 1 324.380 3.267 20 5 DGBDMO CCC[N@@H+]1CCCC[C@@H]1C(=O)O[C@@H](C)c1ccccc1[N+](=O)[O-] ZINC001322153602 1107546207 /nfs/dbraw/zinc/54/62/07/1107546207.db2.gz MHIDKKDFLVSNEX-XJKSGUPXSA-N 1 1 320.389 3.464 20 5 DGBDMO CCC[N@H+]1CCCC[C@@H]1C(=O)O[C@@H](C)c1ccccc1[N+](=O)[O-] ZINC001322153602 1107546214 /nfs/dbraw/zinc/54/62/14/1107546214.db2.gz MHIDKKDFLVSNEX-XJKSGUPXSA-N 1 1 320.389 3.464 20 5 DGBDMO O=[N+]([O-])c1ccc2cnn(C[N@H+]3CC[C@@H]4CCCC[C@H]4C3)c2c1 ZINC001317668142 1107587302 /nfs/dbraw/zinc/58/73/02/1107587302.db2.gz OCIZOKIDCCTYEW-ZFWWWQNUSA-N 1 1 314.389 3.414 20 5 DGBDMO Cc1nnsc1[C@H](C)[NH2+][C@H](C)c1ccc(C)c([N+](=O)[O-])c1 ZINC001262238493 1107655671 /nfs/dbraw/zinc/65/56/71/1107655671.db2.gz ANXVJHNEDHTXFK-ZJUUUORDSA-N 1 1 306.391 3.475 20 5 DGBDMO COc1cc(C[N@@H+](C)CCc2ccccc2[N+](=O)[O-])ccc1F ZINC001323764239 1108078131 /nfs/dbraw/zinc/07/81/31/1108078131.db2.gz ANRDTENNRBYONT-UHFFFAOYSA-N 1 1 318.348 3.417 20 5 DGBDMO CC[N@@H+](CCC(=O)Nc1cc([N+](=O)[O-])ccc1OC)C(C)(C)C ZINC001324733156 1108444659 /nfs/dbraw/zinc/44/46/59/1108444659.db2.gz HTYNPAKURXKTNC-UHFFFAOYSA-N 1 1 323.393 3.052 20 5 DGBDMO C[N@H+]1CC[C@@H](CNc2c(Cl)c(Cl)ccc2[N+](=O)[O-])C1 ZINC001306958912 1111254628 /nfs/dbraw/zinc/25/46/28/1111254628.db2.gz HJOVDRRGFAUQJN-QMMMGPOBSA-N 1 1 304.177 3.265 20 5 DGBDMO CC[N@H+]1CCCC[C@H]1CNc1nccc2c1cccc2[N+](=O)[O-] ZINC001306966121 1111255201 /nfs/dbraw/zinc/25/52/01/1111255201.db2.gz CTVBLSLPLLFWDU-ZDUSSCGKSA-N 1 1 314.389 3.429 20 5 DGBDMO C[N@@H+]1CC=C(CNc2cc(C(F)(F)F)ccc2[N+](=O)[O-])CC1 ZINC001307082442 1111263900 /nfs/dbraw/zinc/26/39/00/1111263900.db2.gz CKOSLWUFLGUKDQ-UHFFFAOYSA-N 1 1 315.295 3.287 20 5 DGBDMO C[C@@H]1C[N@@H+](CCOc2ccc([N+](=O)[O-])cc2)CC2(CCCC2)O1 ZINC001307899890 1111352881 /nfs/dbraw/zinc/35/28/81/1111352881.db2.gz NQXCPFGEIVAPBT-CQSZACIVSA-N 1 1 320.389 3.007 20 5 DGBDMO O=[N+]([O-])c1ccccc1C[NH+]1CCN(c2cccc(F)c2)CC1 ZINC001308011685 1111366654 /nfs/dbraw/zinc/36/66/54/1111366654.db2.gz RPKPFMHKCQLSGR-UHFFFAOYSA-N 1 1 315.348 3.056 20 5 DGBDMO C/C(=C/c1cccc([N+](=O)[O-])c1)CNCC[N@@H+]1CCC(C)(C)C1 ZINC001308547076 1111441156 /nfs/dbraw/zinc/44/11/56/1111441156.db2.gz ILUJZJPJCNJWDJ-PTNGSMBKSA-N 1 1 317.433 3.320 20 5 DGBDMO C/C(=C/c1cccc([N+](=O)[O-])c1)CNCC[N@H+]1CCC(C)(C)C1 ZINC001308547076 1111441160 /nfs/dbraw/zinc/44/11/60/1111441160.db2.gz ILUJZJPJCNJWDJ-PTNGSMBKSA-N 1 1 317.433 3.320 20 5 DGBDMO Cc1ccc([N+](=O)[O-])c(C)c1C[N@@H+]1CCO[C@@H](C(C)(C)C)C1 ZINC001308733740 1111467399 /nfs/dbraw/zinc/46/73/99/1111467399.db2.gz FPPCGEGUBDHBHX-MRXNPFEDSA-N 1 1 306.406 3.459 20 5 DGBDMO Cc1ccc([N+](=O)[O-])c(C)c1C[N@H+]1CCO[C@@H](C(C)(C)C)C1 ZINC001308733740 1111467402 /nfs/dbraw/zinc/46/74/02/1111467402.db2.gz FPPCGEGUBDHBHX-MRXNPFEDSA-N 1 1 306.406 3.459 20 5 DGBDMO O=[N+]([O-])c1cccc(F)c1C[NH2+][C@@H](CCCO)c1ccccc1 ZINC000305778607 231052101 /nfs/dbraw/zinc/05/21/01/231052101.db2.gz QWAIQTNCTSUMRQ-INIZCTEOSA-N 1 1 318.348 3.337 20 5 DGBDMO C[C@@H](Nc1ncccc1[N+](=O)[O-])[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC000272850706 210246741 /nfs/dbraw/zinc/24/67/41/210246741.db2.gz HHJPDOPRWCAIFU-CHWSQXEVSA-N 1 1 304.394 3.055 20 5 DGBDMO COc1ccc([N+](=O)[O-])c(NCCC[N@H+]2CCCC[C@H]2C)c1 ZINC000316650796 231151678 /nfs/dbraw/zinc/15/16/78/231151678.db2.gz WTDXPTQMPZWRQK-CYBMUJFWSA-N 1 1 307.394 3.280 20 5 DGBDMO Cc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@@H+]1CCC[C@H](C)CC1 ZINC000063309315 432005270 /nfs/dbraw/zinc/00/52/70/432005270.db2.gz WFGHGSYPBZNOFG-ZDUSSCGKSA-N 1 1 319.405 3.354 20 5 DGBDMO COc1cc(C[N@H+]2CCC[C@H](C)CC2)c([N+](=O)[O-])cc1OC ZINC000092586227 185327125 /nfs/dbraw/zinc/32/71/25/185327125.db2.gz MIFMVOZPGJPPLC-LBPRGKRZSA-N 1 1 308.378 3.234 20 5 DGBDMO C[N@@H+](CCn1ccc([N+](=O)[O-])n1)[C@H]1CCC[C@H]1c1ccccc1 ZINC000297408694 529939752 /nfs/dbraw/zinc/93/97/52/529939752.db2.gz CRKOWXBIVJJDCK-HOTGVXAUSA-N 1 1 314.389 3.059 20 5 DGBDMO C[N@H+]1CCC[C@H](CCNc2ccc([N+](=O)[O-])c3cnccc23)C1 ZINC000413440924 530060880 /nfs/dbraw/zinc/06/08/80/530060880.db2.gz PCCYZCFWNOXJGZ-CYBMUJFWSA-N 1 1 314.389 3.287 20 5 DGBDMO Cc1n[nH]c(C)c1[C@@H]1CCC[N@H+]1Cc1ccccc1[N+](=O)[O-] ZINC000130516344 432026853 /nfs/dbraw/zinc/02/68/53/432026853.db2.gz PKDNGKWUJVKNOP-HNNXBMFYSA-N 1 1 300.362 3.272 20 5 DGBDMO CC[C@@H](C)C[N@@H+](C)Cc1nc(-c2cccc([N+](=O)[O-])c2)no1 ZINC000171949687 198013136 /nfs/dbraw/zinc/01/31/36/198013136.db2.gz JDQRMNBRBIEEEC-LLVKDONJSA-N 1 1 304.350 3.123 20 5 DGBDMO COc1ccc(C[N@H+](C)[C@H](C)c2ccncc2)cc1[N+](=O)[O-] ZINC000171923822 198008721 /nfs/dbraw/zinc/00/87/21/198008721.db2.gz UPLIMPJBDTYDHC-GFCCVEGCSA-N 1 1 301.346 3.191 20 5 DGBDMO COc1ccc(C[N@@H+](C)[C@H](C)c2ccncc2)cc1[N+](=O)[O-] ZINC000171923822 198008722 /nfs/dbraw/zinc/00/87/22/198008722.db2.gz UPLIMPJBDTYDHC-GFCCVEGCSA-N 1 1 301.346 3.191 20 5 DGBDMO C[C@@H](c1nnc(-c2ccc([N+](=O)[O-])cc2)o1)[N@H+]1CCC(C)(C)C1 ZINC000072827730 191235061 /nfs/dbraw/zinc/23/50/61/191235061.db2.gz GIEUQHGECBIJTM-NSHDSACASA-N 1 1 316.361 3.438 20 5 DGBDMO CC[C@]1(C)CCC[N@@H+](CC(=O)N(C)c2ccc([N+](=O)[O-])cc2)C1 ZINC000072802707 191231127 /nfs/dbraw/zinc/23/11/27/191231127.db2.gz CZKWLYZNLJXFFR-QGZVFWFLSA-N 1 1 319.405 3.070 20 5 DGBDMO O=[N+]([O-])c1ccc(OCC[N@H+]2CCC[C@@H]2c2ccc[nH]2)cc1 ZINC000067387344 432030756 /nfs/dbraw/zinc/03/07/56/432030756.db2.gz NXTXOPCTFKRSIG-MRXNPFEDSA-N 1 1 301.346 3.139 20 5 DGBDMO O=[N+]([O-])c1cnn(CC[N@H+]2CCCCC[C@H]2c2ccco2)c1 ZINC000174869074 198395080 /nfs/dbraw/zinc/39/50/80/198395080.db2.gz VDWCEWZXEROARW-AWEZNQCLSA-N 1 1 304.350 3.002 20 5 DGBDMO CC(C)Oc1ccc([N+](=O)[O-])cc1C[N@@H+](C)C[C@@H]1CCCOC1 ZINC000107695597 432036574 /nfs/dbraw/zinc/03/65/74/432036574.db2.gz QKRABXCEZYDUIF-AWEZNQCLSA-N 1 1 322.405 3.240 20 5 DGBDMO O=[N+]([O-])c1cnc2c(c1)C[N@H+](CCSC1CCCCC1)CC2 ZINC000332517005 235052812 /nfs/dbraw/zinc/05/28/12/235052812.db2.gz XJGJZEXCAWWBTL-UHFFFAOYSA-N 1 1 321.446 3.414 20 5 DGBDMO CCOc1cc(C[N@@H+](C)C2CCC(OC)CC2)ccc1[N+](=O)[O-] ZINC000276950633 213198048 /nfs/dbraw/zinc/19/80/48/213198048.db2.gz UCVLYVRNGIIPNM-UHFFFAOYSA-N 1 1 322.405 3.383 20 5 DGBDMO CC(=O)Nc1ccc(C[N@@H+](C)Cc2ccccc2[N+](=O)[O-])cc1 ZINC000179315615 432054236 /nfs/dbraw/zinc/05/42/36/432054236.db2.gz PVKFHWSISCZAEK-UHFFFAOYSA-N 1 1 313.357 3.185 20 5 DGBDMO CC(=O)Nc1ccc(C[N@H+](C)Cc2ccccc2[N+](=O)[O-])cc1 ZINC000179315615 432054237 /nfs/dbraw/zinc/05/42/37/432054237.db2.gz PVKFHWSISCZAEK-UHFFFAOYSA-N 1 1 313.357 3.185 20 5 DGBDMO C[C@H]1C[C@@H]1[N@H+]1CCN(c2ccc(Cl)cc2[N+](=O)[O-])C[C@@H](C)C1 ZINC000488739147 291096468 /nfs/dbraw/zinc/09/64/68/291096468.db2.gz VTXIDXYSQYDORU-XUJVJEKNSA-N 1 1 323.824 3.415 20 5 DGBDMO CCOC[C@H]1CCC[N@@H+](Cc2ccc([N+](=O)[O-])c(OCC)c2)C1 ZINC000276838606 213126032 /nfs/dbraw/zinc/12/60/32/213126032.db2.gz BYYRYDKQJIQETE-HNNXBMFYSA-N 1 1 322.405 3.242 20 5 DGBDMO O=[N+]([O-])c1ccccc1CN1CC[C@H]2[C@H](CCC[N@H+]2C2CC2)C1 ZINC000134873047 432088312 /nfs/dbraw/zinc/08/83/12/432088312.db2.gz JJJLIPVWPSIKIR-PBHICJAKSA-N 1 1 315.417 3.044 20 5 DGBDMO C[C@H](c1ccccc1[N+](=O)[O-])N1CC[N@H+]([C@H]2C[C@H]2C)C[C@H](C)C1 ZINC000428997444 238037166 /nfs/dbraw/zinc/03/71/66/238037166.db2.gz CMSWLDOVWUEZAY-ADAWSYLGSA-N 1 1 317.433 3.318 20 5 DGBDMO Cc1cc([N+](=O)[O-])ccc1CN1CC[N@H+]([C@@H]2C[C@@H]2C)C[C@H](C)C1 ZINC000430129902 238068105 /nfs/dbraw/zinc/06/81/05/238068105.db2.gz VOUSUUWIWZZOMQ-QIIPPGSGSA-N 1 1 317.433 3.065 20 5 DGBDMO COc1cc([N+](=O)[O-])ccc1C[N@@H+]1CC[C@H](C(F)(F)F)[C@@H]1C ZINC000430231637 238071772 /nfs/dbraw/zinc/07/17/72/238071772.db2.gz CQOGFDUXNYSODY-CABZTGNLSA-N 1 1 318.295 3.376 20 5 DGBDMO COc1cc([N+](=O)[O-])ccc1C[N@H+]1CC[C@H](C(F)(F)F)[C@@H]1C ZINC000430231637 238071773 /nfs/dbraw/zinc/07/17/73/238071773.db2.gz CQOGFDUXNYSODY-CABZTGNLSA-N 1 1 318.295 3.376 20 5 DGBDMO COc1cc([N+](=O)[O-])ccc1C[N@H+]1CCS[C@@H](C(C)C)C1 ZINC000430240447 238072293 /nfs/dbraw/zinc/07/22/93/238072293.db2.gz UVWMZOWUPQPUBY-OAHLLOKOSA-N 1 1 310.419 3.177 20 5 DGBDMO C[C@@H]1CN(Cc2ccc([N+](=O)[O-])cc2F)CC[N@H+](C2CCC2)C1 ZINC000292440376 223081098 /nfs/dbraw/zinc/08/10/98/223081098.db2.gz WYAWAJVIHMBXNK-CYBMUJFWSA-N 1 1 321.396 3.040 20 5 DGBDMO Cc1cc([N+](=O)[O-])ccc1NC(=O)C[N@H+]1C[C@@H](C)CCC[C@H]1C ZINC000444225696 239270634 /nfs/dbraw/zinc/27/06/34/239270634.db2.gz RLNMTEZHEOKREI-GXTWGEPZSA-N 1 1 319.405 3.352 20 5 DGBDMO O=[N+]([O-])c1ccc2[nH]c(C[N@@H+]3CC[C@H]3Cc3ccccc3)nc2c1 ZINC000444653757 239317005 /nfs/dbraw/zinc/31/70/05/239317005.db2.gz MXUIXHBFQAEZJX-AWEZNQCLSA-N 1 1 322.368 3.288 20 5 DGBDMO O=[N+]([O-])c1ccc2[nH]c(C[N@H+]3CC[C@H]3Cc3ccccc3)nc2c1 ZINC000444653757 239317012 /nfs/dbraw/zinc/31/70/12/239317012.db2.gz MXUIXHBFQAEZJX-AWEZNQCLSA-N 1 1 322.368 3.288 20 5 DGBDMO C[C@H](Cc1ccccc1[N+](=O)[O-])[NH2+]C1CC(N2CCCCC2)C1 ZINC000449296732 240117746 /nfs/dbraw/zinc/11/77/46/240117746.db2.gz CVWRYYBRXLPETA-ODIFPOPNSA-N 1 1 317.433 3.132 20 5 DGBDMO C[C@H](Cc1ccccc1[N+](=O)[O-])NC1CC([NH+]2CCCCC2)C1 ZINC000449296732 240117751 /nfs/dbraw/zinc/11/77/51/240117751.db2.gz CVWRYYBRXLPETA-ODIFPOPNSA-N 1 1 317.433 3.132 20 5 DGBDMO O=[N+]([O-])c1ccccc1/C=C/C[N@H+]1CC[C@@H]2C[C@H](O)CC[C@H]2C1 ZINC000449557065 240288519 /nfs/dbraw/zinc/28/85/19/240288519.db2.gz UETIWQGXUWGIEH-HCGXZRIXSA-N 1 1 316.401 3.091 20 5 DGBDMO O=[N+]([O-])c1ccc(C[N@H+]2CCC[C@]3(CCSC3)C2)c(F)c1 ZINC000449733179 240386116 /nfs/dbraw/zinc/38/61/16/240386116.db2.gz NYYVTLSJOBWYLE-HNNXBMFYSA-N 1 1 310.394 3.453 20 5 DGBDMO CC[C@@H](NC[C@H](C)C[NH+]1CCCC1)c1cccc([N+](=O)[O-])c1 ZINC000171141321 432106061 /nfs/dbraw/zinc/10/60/61/432106061.db2.gz WMNQGWBTSAMJIQ-WMLDXEAASA-N 1 1 305.422 3.367 20 5 DGBDMO C[C@@H](c1ccccn1)[N@@H+](C)CCOc1ccc([N+](=O)[O-])cc1 ZINC000091703597 193093859 /nfs/dbraw/zinc/09/38/59/193093859.db2.gz KAPSOEKNAPGWFW-ZDUSSCGKSA-N 1 1 301.346 3.062 20 5 DGBDMO CO[C@H]1CCC[N@@H+](Cc2ccc(-c3ccccc3[N+](=O)[O-])o2)C1 ZINC000091772509 193104568 /nfs/dbraw/zinc/10/45/68/193104568.db2.gz ANALREFAOQDKRX-ZDUSSCGKSA-N 1 1 316.357 3.466 20 5 DGBDMO O=[N+]([O-])c1ccc([C@@H]2CCC[N@@H+](CCc3ccccn3)C2)cc1 ZINC000451550128 241168657 /nfs/dbraw/zinc/16/86/57/241168657.db2.gz RETYTMYCNBBKPJ-MRXNPFEDSA-N 1 1 311.385 3.412 20 5 DGBDMO C[C@@H]1CC[C@@H](C[N@H+]2CCC[C@@H](c3ccc([N+](=O)[O-])cc3)C2)O1 ZINC000451554147 241170697 /nfs/dbraw/zinc/17/06/97/241170697.db2.gz ZJMKPBKHCFCSHV-UNEWFSDZSA-N 1 1 304.390 3.342 20 5 DGBDMO C[C@@H]1CC[C@H](C[N@H+]2CCC[C@@H](c3ccc([N+](=O)[O-])cc3)C2)O1 ZINC000451554144 241171072 /nfs/dbraw/zinc/17/10/72/241171072.db2.gz ZJMKPBKHCFCSHV-FRFSOERESA-N 1 1 304.390 3.342 20 5 DGBDMO CO[C@H]1CC[N@H+](Cc2c(Cl)cccc2[N+](=O)[O-])CC1(C)C ZINC000451555988 241174389 /nfs/dbraw/zinc/17/43/89/241174389.db2.gz KQHPXAPBSFVTGA-AWEZNQCLSA-N 1 1 312.797 3.495 20 5 DGBDMO CO[C@H]1CC[N@@H+](Cc2c(Cl)cccc2[N+](=O)[O-])CC1(C)C ZINC000451555988 241174391 /nfs/dbraw/zinc/17/43/91/241174391.db2.gz KQHPXAPBSFVTGA-AWEZNQCLSA-N 1 1 312.797 3.495 20 5 DGBDMO O=[N+]([O-])c1cccc(Cl)c1C[N@H+]1CC[C@@H]2C[C@H](O)CC[C@H]2C1 ZINC000451696113 241209950 /nfs/dbraw/zinc/20/99/50/241209950.db2.gz FTFINYPTJRZMDV-FRRDWIJNSA-N 1 1 324.808 3.231 20 5 DGBDMO Cc1ccc([C@H](C)NCC[N@@H+](C)C2CCCC2)cc1[N+](=O)[O-] ZINC000103715956 284033393 /nfs/dbraw/zinc/03/33/93/284033393.db2.gz OQEMUSNAKIRCJC-AWEZNQCLSA-N 1 1 305.422 3.428 20 5 DGBDMO Cc1ccc([C@H](C)[NH2+]CCN(C)C2CCCC2)cc1[N+](=O)[O-] ZINC000103715956 284033397 /nfs/dbraw/zinc/03/33/97/284033397.db2.gz OQEMUSNAKIRCJC-AWEZNQCLSA-N 1 1 305.422 3.428 20 5 DGBDMO CC[C@]1(C)C[N@H+](C/C(C)=C/c2cccc([N+](=O)[O-])c2)CCO1 ZINC000470213029 244159430 /nfs/dbraw/zinc/15/94/30/244159430.db2.gz ZBXYCLXNGYWUMB-IDKBZEPQSA-N 1 1 304.390 3.499 20 5 DGBDMO CC[C@]1(C)C[N@@H+](C/C(C)=C/c2cccc([N+](=O)[O-])c2)CCO1 ZINC000470213029 244159437 /nfs/dbraw/zinc/15/94/37/244159437.db2.gz ZBXYCLXNGYWUMB-IDKBZEPQSA-N 1 1 304.390 3.499 20 5 DGBDMO CC[C@]1(C)C[N@H+](C/C(C)=C\c2cccc([N+](=O)[O-])c2)CCO1 ZINC000470213030 244159600 /nfs/dbraw/zinc/15/96/00/244159600.db2.gz ZBXYCLXNGYWUMB-OOXMNIKJSA-N 1 1 304.390 3.499 20 5 DGBDMO CC[C@]1(C)C[N@@H+](C/C(C)=C\c2cccc([N+](=O)[O-])c2)CCO1 ZINC000470213030 244159604 /nfs/dbraw/zinc/15/96/04/244159604.db2.gz ZBXYCLXNGYWUMB-OOXMNIKJSA-N 1 1 304.390 3.499 20 5 DGBDMO C[C@H]1C[C@H](O)C[N@H+]1Cc1ccc(-c2ccccc2[N+](=O)[O-])s1 ZINC000471813652 244253272 /nfs/dbraw/zinc/25/32/72/244253272.db2.gz ZVXUGUKFNNBXFA-RYUDHWBXSA-N 1 1 318.398 3.278 20 5 DGBDMO C[C@@H](NC[C@H](C)[NH+]1CCC(C)CC1)c1ccc([N+](=O)[O-])cc1 ZINC000119052556 284133140 /nfs/dbraw/zinc/13/31/40/284133140.db2.gz LHXAJUZLFKWMFZ-LSDHHAIUSA-N 1 1 305.422 3.366 20 5 DGBDMO C[C@@H](NC[C@@H](C)[NH+]1CCC(C)CC1)c1ccc([N+](=O)[O-])cc1 ZINC000119052647 284133169 /nfs/dbraw/zinc/13/31/69/284133169.db2.gz LHXAJUZLFKWMFZ-HUUCEWRRSA-N 1 1 305.422 3.366 20 5 DGBDMO O=[N+]([O-])c1cccc(Cl)c1C[NH+]1CCC(n2ccnc2)CC1 ZINC000119301830 284140190 /nfs/dbraw/zinc/14/01/90/284140190.db2.gz MEOBWAMPESNDSZ-UHFFFAOYSA-N 1 1 320.780 3.282 20 5 DGBDMO C[N@@H+](Cc1ccc(-c2ccccc2[N+](=O)[O-])o1)CC(C)(C)O ZINC000093414541 193246763 /nfs/dbraw/zinc/24/67/63/193246763.db2.gz JRYLSZADUNJVNB-UHFFFAOYSA-N 1 1 304.346 3.058 20 5 DGBDMO CC[C@H]1COCC[N@@H+]1Cc1ccc(-c2cccc([N+](=O)[O-])c2)o1 ZINC000120438978 284169748 /nfs/dbraw/zinc/16/97/48/284169748.db2.gz LGPSZCUTWONWBE-AWEZNQCLSA-N 1 1 316.357 3.466 20 5 DGBDMO CC[C@H]1COCC[N@H+]1Cc1ccc(-c2cccc([N+](=O)[O-])c2)o1 ZINC000120438978 284169750 /nfs/dbraw/zinc/16/97/50/284169750.db2.gz LGPSZCUTWONWBE-AWEZNQCLSA-N 1 1 316.357 3.466 20 5 DGBDMO CCC[C@H]([NH2+]C[C@@H]1CCCN(C)C1)c1cccc([N+](=O)[O-])c1 ZINC000121211725 284191337 /nfs/dbraw/zinc/19/13/37/284191337.db2.gz IUWMMRAFSUEMDI-YOEHRIQHSA-N 1 1 305.422 3.367 20 5 DGBDMO CCC[C@H](NC[C@@H]1CCC[N@H+](C)C1)c1cccc([N+](=O)[O-])c1 ZINC000121211725 284191338 /nfs/dbraw/zinc/19/13/38/284191338.db2.gz IUWMMRAFSUEMDI-YOEHRIQHSA-N 1 1 305.422 3.367 20 5 DGBDMO CCC[C@H](NC[C@@H]1CCC[N@@H+](C)C1)c1cccc([N+](=O)[O-])c1 ZINC000121211725 284191341 /nfs/dbraw/zinc/19/13/41/284191341.db2.gz IUWMMRAFSUEMDI-YOEHRIQHSA-N 1 1 305.422 3.367 20 5 DGBDMO C[N@@H+](CCc1cccc([N+](=O)[O-])c1)Cc1ccnc(Cl)c1 ZINC000282494165 217038273 /nfs/dbraw/zinc/03/82/73/217038273.db2.gz QDKUZVNDQLOSEN-UHFFFAOYSA-N 1 1 305.765 3.318 20 5 DGBDMO C[C@H](C1CCCCC1)[N@@H+](C)Cc1ccc(C(N)=O)cc1[N+](=O)[O-] ZINC000282519529 217058056 /nfs/dbraw/zinc/05/80/56/217058056.db2.gz SYKIPMYRCYVIQF-GFCCVEGCSA-N 1 1 319.405 3.094 20 5 DGBDMO Cc1c([C@H](C)N[C@@H]2CC[N@H+]3CCCC[C@@H]23)cccc1[N+](=O)[O-] ZINC000268779163 432132026 /nfs/dbraw/zinc/13/20/26/432132026.db2.gz PFFGSZGFPMNMKF-LXZKKBNFSA-N 1 1 303.406 3.181 20 5 DGBDMO Cc1c([C@H](C)[NH2+][C@@H]2CCN3CCCC[C@@H]23)cccc1[N+](=O)[O-] ZINC000268779163 432132029 /nfs/dbraw/zinc/13/20/29/432132029.db2.gz PFFGSZGFPMNMKF-LXZKKBNFSA-N 1 1 303.406 3.181 20 5 DGBDMO CC(C)Oc1ccc([N+](=O)[O-])cc1C[N@H+]1CCC[C@@H]1C(C)(C)O ZINC000136246871 432150314 /nfs/dbraw/zinc/15/03/14/432150314.db2.gz CCVSFJGXUHUOHG-MRXNPFEDSA-N 1 1 322.405 3.117 20 5 DGBDMO COCC[N@@H+](Cc1ccccc1)Cc1ccc([N+](=O)[O-])cc1 ZINC000042977187 183325710 /nfs/dbraw/zinc/32/57/10/183325710.db2.gz HJYCVXIINQRPSJ-UHFFFAOYSA-N 1 1 300.358 3.243 20 5 DGBDMO O=[N+]([O-])c1cc(C[N@@H+]2CCC[C@@H]2[C@H]2CCCO2)ccc1Cl ZINC000284986889 218248022 /nfs/dbraw/zinc/24/80/22/218248022.db2.gz YHJXFLKFIFTTSQ-UKRRQHHQSA-N 1 1 310.781 3.392 20 5 DGBDMO O=[N+]([O-])c1cc(C[N@H+]2CCC[C@@H]2[C@H]2CCCO2)ccc1Cl ZINC000284986889 218248024 /nfs/dbraw/zinc/24/80/24/218248024.db2.gz YHJXFLKFIFTTSQ-UKRRQHHQSA-N 1 1 310.781 3.392 20 5 DGBDMO COCCc1cc[nH+]c(NCc2ccc(Cl)c([N+](=O)[O-])c2)c1 ZINC000285059304 218274346 /nfs/dbraw/zinc/27/43/46/218274346.db2.gz DINNPCGIJMIFCV-UHFFFAOYSA-N 1 1 321.764 3.444 20 5 DGBDMO C[N@@H+](CCc1ccccc1[N+](=O)[O-])Cc1cccc([N+](=O)[O-])c1 ZINC000285217940 218337004 /nfs/dbraw/zinc/33/70/04/218337004.db2.gz FCJAJRLABKOISD-UHFFFAOYSA-N 1 1 315.329 3.178 20 5 DGBDMO Cc1ccc([C@@H](O)C[N@@H+](C)CCc2ccccc2[N+](=O)[O-])cc1 ZINC000285339272 218388156 /nfs/dbraw/zinc/38/81/56/218388156.db2.gz OQSLVMUYOFNIPM-SFHVURJKSA-N 1 1 314.385 3.111 20 5 DGBDMO O=[N+]([O-])c1c(F)cccc1N1CCC[N@H+](C2CCCC2)CC1 ZINC000265618566 285075969 /nfs/dbraw/zinc/07/59/69/285075969.db2.gz WVXPIFKNQWOWQB-UHFFFAOYSA-N 1 1 307.369 3.189 20 5 DGBDMO COc1cc(NC[C@@H]2CCCC[N@H+]2C2CC2)ccc1[N+](=O)[O-] ZINC000433808167 533033586 /nfs/dbraw/zinc/03/35/86/533033586.db2.gz OFKLCIMCHVFXBX-AWEZNQCLSA-N 1 1 305.378 3.032 20 5 DGBDMO O=[N+]([O-])c1c2cccnc2ccc1N1CCC(c2[nH]cc[nH+]2)CC1 ZINC000264923846 285079759 /nfs/dbraw/zinc/07/97/59/285079759.db2.gz MUXKCRUPSDJMGL-UHFFFAOYSA-N 1 1 323.356 3.250 20 5 DGBDMO O=[N+]([O-])c1ccc(C[NH2+][C@@H](CO)c2cccc(Cl)c2F)cc1 ZINC000337277641 253077071 /nfs/dbraw/zinc/07/70/71/253077071.db2.gz RYOYQEVWUADEDN-AWEZNQCLSA-N 1 1 324.739 3.211 20 5 DGBDMO C[N@@H+](CCC(=O)Nc1ccccc1[N+](=O)[O-])C[C@@H]1CC=CCC1 ZINC000337320179 253086329 /nfs/dbraw/zinc/08/63/29/253086329.db2.gz OOCVCDHGRIBGQR-CQSZACIVSA-N 1 1 317.389 3.212 20 5 DGBDMO CC[C@@H]1C[C@]1([NH2+]Cc1c([N+](=O)[O-])ncn1C)c1cccc(C)c1 ZINC000337425948 253113661 /nfs/dbraw/zinc/11/36/61/253113661.db2.gz SLPDIAQJIAZWGS-CXAGYDPISA-N 1 1 314.389 3.052 20 5 DGBDMO Cc1ccn2c(C[N@@H+](C)CCc3cccc([N+](=O)[O-])c3)cnc2c1 ZINC000338958914 253380202 /nfs/dbraw/zinc/38/02/02/253380202.db2.gz VVCWJZKYPUOJKF-UHFFFAOYSA-N 1 1 324.384 3.225 20 5 DGBDMO O=[N+]([O-])c1ccccc1-c1ccc(C[N@@H+]2CCC[C@@H](O)C2)s1 ZINC000158765355 197300149 /nfs/dbraw/zinc/30/01/49/197300149.db2.gz LLXKZLPIVOCIAG-GFCCVEGCSA-N 1 1 318.398 3.280 20 5 DGBDMO CO[C@H]1[C@H]2[C@H]3C[C@@H]1C[C@@H]3C[N@H+]2Cc1cc([N+](=O)[O-])ccc1Cl ZINC000286510276 219027039 /nfs/dbraw/zinc/02/70/39/219027039.db2.gz MUHCZPSUAKKJRE-TXBJDVRTSA-N 1 1 322.792 3.103 20 5 DGBDMO O=[N+]([O-])c1ccc2c(c1)[C@H]([NH2+][C@@H]1CCCc3c[nH]nc31)CCC2 ZINC000278639247 285145291 /nfs/dbraw/zinc/14/52/91/285145291.db2.gz HJWGVRKQMMOZIQ-HZPDHXFCSA-N 1 1 312.373 3.363 20 5 DGBDMO O=[N+]([O-])c1cccc(C[N@H+]2CC[C@@]3(C2)OCc2ccccc23)c1 ZINC000186450174 285153239 /nfs/dbraw/zinc/15/32/39/285153239.db2.gz NEKWPAKPHQNCBV-SFHVURJKSA-N 1 1 310.353 3.226 20 5 DGBDMO O=[N+]([O-])c1ccccc1C[N@H+](CCOCC1CCC1)C1CC1 ZINC000419221595 285160059 /nfs/dbraw/zinc/16/00/59/285160059.db2.gz CJGFDKANFOBWBP-UHFFFAOYSA-N 1 1 304.390 3.376 20 5 DGBDMO O=[N+]([O-])c1ccccc1C[N@@H+](CCOCC1CCC1)C1CC1 ZINC000419221595 285160067 /nfs/dbraw/zinc/16/00/67/285160067.db2.gz CJGFDKANFOBWBP-UHFFFAOYSA-N 1 1 304.390 3.376 20 5 DGBDMO COc1cc(C[N@H+](Cc2ccc([N+](=O)[O-])cc2)C2CC2)ccn1 ZINC000343965053 254207024 /nfs/dbraw/zinc/20/70/24/254207024.db2.gz SVHYRBGEGLADHC-UHFFFAOYSA-N 1 1 313.357 3.163 20 5 DGBDMO COc1cc(C[N@@H+](Cc2ccc([N+](=O)[O-])cc2)C2CC2)ccn1 ZINC000343965053 254207025 /nfs/dbraw/zinc/20/70/25/254207025.db2.gz SVHYRBGEGLADHC-UHFFFAOYSA-N 1 1 313.357 3.163 20 5 DGBDMO CC[C@@H](C)C[N@@H+](CC)[C@H](C)C(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000343678203 254176908 /nfs/dbraw/zinc/17/69/08/254176908.db2.gz COQBDVUROZYMMC-CHWSQXEVSA-N 1 1 307.394 3.290 20 5 DGBDMO CC[C@H]1CCC[N@@H+](CCC(=O)Nc2ccc([N+](=O)[O-])cc2)CC1 ZINC000343939762 254204660 /nfs/dbraw/zinc/20/46/60/254204660.db2.gz VDMQUTYQYZLGHY-AWEZNQCLSA-N 1 1 319.405 3.436 20 5 DGBDMO C[C@@H](C(=O)Nc1ccc([N+](=O)[O-])cc1)[N@@H+](C)C[C@@H]1CC=CCC1 ZINC000344054589 254218756 /nfs/dbraw/zinc/21/87/56/254218756.db2.gz JGQYTADDWSYSKP-UONOGXRCSA-N 1 1 317.389 3.210 20 5 DGBDMO CC[C@@]1(C)CC[N@H+]([C@@H](C)C(=O)Nc2ccc([N+](=O)[O-])cc2)C1 ZINC000344230257 254242307 /nfs/dbraw/zinc/24/23/07/254242307.db2.gz JDEHVMSQEPIFQD-LRDDRELGSA-N 1 1 305.378 3.044 20 5 DGBDMO C[C@H](C(=O)Nc1cccc([N+](=O)[O-])c1)[N@H+]1CCC[C@H](C2CC2)C1 ZINC000343993507 254210548 /nfs/dbraw/zinc/21/05/48/254210548.db2.gz OJUCGVVCGJARDX-OCCSQVGLSA-N 1 1 317.389 3.044 20 5 DGBDMO CCOc1ccc([N+](=O)[O-])cc1C[N@H+]1CCC[C@@H]1[C@@H]1CCCO1 ZINC000283942917 285233179 /nfs/dbraw/zinc/23/31/79/285233179.db2.gz AFQYUUPECLWHIZ-WBVHZDCISA-N 1 1 320.389 3.137 20 5 DGBDMO CC[N@@H+](C)C[C@H]1CCN(Cc2ccc(Cl)c([N+](=O)[O-])c2)C1 ZINC000154074764 196936650 /nfs/dbraw/zinc/93/66/50/196936650.db2.gz UOSLQNOFMLGYKF-CYBMUJFWSA-N 1 1 311.813 3.022 20 5 DGBDMO COc1ccc([N+](=O)[O-])cc1C[NH2+][C@@H](C)c1cnccc1C ZINC000271583475 209033401 /nfs/dbraw/zinc/03/34/01/209033401.db2.gz RVCJKTOJWKPNRL-LBPRGKRZSA-N 1 1 301.346 3.158 20 5 DGBDMO COc1ccc([N+](=O)[O-])cc1C[N@H+]1CCCCC[C@H]1C[C@H](C)O ZINC000323004219 533219001 /nfs/dbraw/zinc/21/90/01/533219001.db2.gz VFMKWMXMCSUYKE-ZFWWWQNUSA-N 1 1 322.405 3.119 20 5 DGBDMO C[C@@H](CO)[N@@H+](C)Cc1ccc(-c2ccc([N+](=O)[O-])cc2)s1 ZINC000289519462 221036708 /nfs/dbraw/zinc/03/67/08/221036708.db2.gz VGGXBZUYHAYDOK-NSHDSACASA-N 1 1 306.387 3.136 20 5 DGBDMO O=[N+]([O-])c1ccccc1C[N@@H+]1CC2(CCC2)[C@@H]1[C@@H]1CCCO1 ZINC000289647204 221127867 /nfs/dbraw/zinc/12/78/67/221127867.db2.gz SUULGFDOTCJORI-HOTGVXAUSA-N 1 1 302.374 3.128 20 5 DGBDMO O=[N+]([O-])c1ccccc1C[N@H+]1CC2(CCC2)[C@@H]1[C@@H]1CCCO1 ZINC000289647204 221127870 /nfs/dbraw/zinc/12/78/70/221127870.db2.gz SUULGFDOTCJORI-HOTGVXAUSA-N 1 1 302.374 3.128 20 5 DGBDMO COc1cc(C[N@H+]2CCCC(C)(C)C2)c([N+](=O)[O-])cc1OC ZINC000121135219 195297527 /nfs/dbraw/zinc/29/75/27/195297527.db2.gz CUVIVEQWSNKFBJ-UHFFFAOYSA-N 1 1 308.378 3.234 20 5 DGBDMO C/C(=C/c1cccc([N+](=O)[O-])c1)C[N@@H+](C)C[C@@H]1CCCC[C@H]1O ZINC000470210212 533381216 /nfs/dbraw/zinc/38/12/16/533381216.db2.gz AFGQMWHBZMMULZ-MBMZNTITSA-N 1 1 318.417 3.481 20 5 DGBDMO C/C(=C/c1cccc([N+](=O)[O-])c1)C[N@@H+](C)CCOCC1CC1 ZINC000470181275 533381420 /nfs/dbraw/zinc/38/14/20/533381420.db2.gz AOKXMPRUVNNZIW-UVTDQMKNSA-N 1 1 304.390 3.357 20 5 DGBDMO C/C(=C\c1cccc([N+](=O)[O-])c1)C[N@@H+](C)C[C@H]1CCCOC1 ZINC000470169329 533406752 /nfs/dbraw/zinc/40/67/52/533406752.db2.gz DJSOERQJUWSVHR-SCZPIIQISA-N 1 1 304.390 3.357 20 5 DGBDMO COc1cccc(NC[C@@H]2CCCC[N@H+]2C2CC2)c1[N+](=O)[O-] ZINC000433809665 533618371 /nfs/dbraw/zinc/61/83/71/533618371.db2.gz WCJCUFHRNLBABK-ZDUSSCGKSA-N 1 1 305.378 3.032 20 5 DGBDMO C[C@@H]1C[C@@H](Nc2ccc([N+](=O)[O-])c3cnccc23)CC[N@H+]1C ZINC000316806986 533660572 /nfs/dbraw/zinc/66/05/72/533660572.db2.gz PKSGLUFXEBEDIE-NEPJUHHUSA-N 1 1 300.362 3.038 20 5 DGBDMO COc1cc([N+](=O)[O-])ccc1[C@H](C)[NH2+]Cc1cnc(C)cc1C ZINC000595054326 400091885 /nfs/dbraw/zinc/09/18/85/400091885.db2.gz ZTWWPHRFGGKBBI-ZDUSSCGKSA-N 1 1 315.373 3.466 20 5 DGBDMO COc1ccc(C[N@H+](C)Cc2ccc(F)cc2[N+](=O)[O-])cc1 ZINC000595286017 400116815 /nfs/dbraw/zinc/11/68/15/400116815.db2.gz AJNTXFDCDBDNTA-UHFFFAOYSA-N 1 1 304.321 3.375 20 5 DGBDMO COc1ccc(C[N@@H+](C)Cc2ccc(F)cc2[N+](=O)[O-])cc1 ZINC000595286017 400116817 /nfs/dbraw/zinc/11/68/17/400116817.db2.gz AJNTXFDCDBDNTA-UHFFFAOYSA-N 1 1 304.321 3.375 20 5 DGBDMO C[C@@H](c1cccc([N+](=O)[O-])c1)N1CCC[C@@]2(CC[N@@H+](C)C2)C1 ZINC000595507951 400172194 /nfs/dbraw/zinc/17/21/94/400172194.db2.gz SCCLGTRPRVHGQY-YOEHRIQHSA-N 1 1 303.406 3.074 20 5 DGBDMO COc1cc(C[NH2+]C(C)(C)c2ccccc2[N+](=O)[O-])sn1 ZINC000595509005 400172577 /nfs/dbraw/zinc/17/25/77/400172577.db2.gz DSTMRWCJTUPKKG-UHFFFAOYSA-N 1 1 307.375 3.085 20 5 DGBDMO Cc1cc(C[NH2+]C(C)(C)c2ccccc2[N+](=O)[O-])nc(C)n1 ZINC000595510149 400174024 /nfs/dbraw/zinc/17/40/24/400174024.db2.gz JVSPOJOTTQABAP-UHFFFAOYSA-N 1 1 300.362 3.027 20 5 DGBDMO Cc1ccsc1C[N@H+](C)CC(=O)Nc1ccccc1[N+](=O)[O-] ZINC000008309903 400122997 /nfs/dbraw/zinc/12/29/97/400122997.db2.gz JLMLDFMWEIRHPI-UHFFFAOYSA-N 1 1 319.386 3.035 20 5 DGBDMO Cc1ccsc1C[N@@H+](C)CC(=O)Nc1ccccc1[N+](=O)[O-] ZINC000008309903 400123002 /nfs/dbraw/zinc/12/30/02/400123002.db2.gz JLMLDFMWEIRHPI-UHFFFAOYSA-N 1 1 319.386 3.035 20 5 DGBDMO Cc1cccc([N+](=O)[O-])c1NC(=O)C[N@H+]1CCC[C@H]1C1CCC1 ZINC000609120966 400141418 /nfs/dbraw/zinc/14/14/18/400141418.db2.gz PRESLIAROMPFQF-AWEZNQCLSA-N 1 1 317.389 3.106 20 5 DGBDMO Cc1ccc([N+](=O)[O-])cc1NC(=O)C[N@H+]1CCC[C@H]1C1CCC1 ZINC000609120968 400141518 /nfs/dbraw/zinc/14/15/18/400141518.db2.gz QFNQXMYEBGCRJL-INIZCTEOSA-N 1 1 317.389 3.106 20 5 DGBDMO Cc1noc(C[N@H+]2CC[C@H](c3cc(C)cc(C)c3)C2)c1[N+](=O)[O-] ZINC000595425072 400145651 /nfs/dbraw/zinc/14/56/51/400145651.db2.gz IWRRCUHHGRTBNF-AWEZNQCLSA-N 1 1 315.373 3.498 20 5 DGBDMO O=[N+]([O-])c1cc(F)ccc1C[N@@H+]1CCC[C@@H](OC2CCC2)C1 ZINC000595561632 400187377 /nfs/dbraw/zinc/18/73/77/400187377.db2.gz ONJNXDVHYCXZKW-OAHLLOKOSA-N 1 1 308.353 3.267 20 5 DGBDMO O=[N+]([O-])c1cc(F)ccc1C[N@H+]1CCC[C@@H](OC2CCC2)C1 ZINC000595561632 400187380 /nfs/dbraw/zinc/18/73/80/400187380.db2.gz ONJNXDVHYCXZKW-OAHLLOKOSA-N 1 1 308.353 3.267 20 5 DGBDMO Cc1noc(C[N@H+]2CC[C@@H](c3ccc(C)cc3C)C2)c1[N+](=O)[O-] ZINC000595468112 400160262 /nfs/dbraw/zinc/16/02/62/400160262.db2.gz JFYDFRLBLAROHD-CQSZACIVSA-N 1 1 315.373 3.498 20 5 DGBDMO CCOc1cc(N2CCC[C@H](c3[nH]cc[nH+]3)C2)ccc1[N+](=O)[O-] ZINC000092649364 400188011 /nfs/dbraw/zinc/18/80/11/400188011.db2.gz HLIBQFKUSUYJDU-LBPRGKRZSA-N 1 1 316.361 3.101 20 5 DGBDMO CC[C@@H](C)[N@@H+](C)CCNc1ccc([N+](=O)[O-])c2cccnc12 ZINC000092642883 400188317 /nfs/dbraw/zinc/18/83/17/400188317.db2.gz HNWMVBUIKPIWLM-GFCCVEGCSA-N 1 1 302.378 3.285 20 5 DGBDMO Cc1noc(C[N@H+]2CCC[C@@H](c3ccccc3)C2)c1[N+](=O)[O-] ZINC000595503400 400170546 /nfs/dbraw/zinc/17/05/46/400170546.db2.gz UKILWXAFZFIKGY-CQSZACIVSA-N 1 1 301.346 3.271 20 5 DGBDMO C[C@H](NCC[N@@H+]1C[C@H](C)C[C@H](C)C1)c1cccc([N+](=O)[O-])c1 ZINC000610420409 400255885 /nfs/dbraw/zinc/25/58/85/400255885.db2.gz QZONDXQQMWDUIU-ZNMIVQPWSA-N 1 1 305.422 3.223 20 5 DGBDMO C[C@H]([NH2+]CCN1C[C@H](C)C[C@H](C)C1)c1cccc([N+](=O)[O-])c1 ZINC000610420409 400255888 /nfs/dbraw/zinc/25/58/88/400255888.db2.gz QZONDXQQMWDUIU-ZNMIVQPWSA-N 1 1 305.422 3.223 20 5 DGBDMO CO[C@@H]1CCN(c2cc[nH+]c3ccc([N+](=O)[O-])cc32)C[C@H]1C ZINC000601171857 400255876 /nfs/dbraw/zinc/25/58/76/400255876.db2.gz RRWJAZZFZLBGBY-BDJLRTHQSA-N 1 1 301.346 3.004 20 5 DGBDMO CCOC[C@@H]1CCCN(c2cc[nH+]c3ccc([N+](=O)[O-])cc32)C1 ZINC000601115989 400238476 /nfs/dbraw/zinc/23/84/76/400238476.db2.gz GENWVLVELIPUQU-CYBMUJFWSA-N 1 1 315.373 3.396 20 5 DGBDMO CCC[C@@H]1CN(c2cc[nH+]c3ccc([N+](=O)[O-])cc32)CCO1 ZINC000601134531 400244040 /nfs/dbraw/zinc/24/40/40/400244040.db2.gz CWZIDSFXRXAESD-CYBMUJFWSA-N 1 1 301.346 3.148 20 5 DGBDMO CCN(C[C@H]1CCOC1)c1cc[nH+]c2ccc([N+](=O)[O-])cc21 ZINC000601132459 400244523 /nfs/dbraw/zinc/24/45/23/400244523.db2.gz HLNOUHOXPJRSFX-GFCCVEGCSA-N 1 1 301.346 3.006 20 5 DGBDMO Cc1ccc([N+](=O)[O-])cc1[C@H](C)[N@H+]1CCC[C@](O)(C2CC2)C1 ZINC000595752668 400250122 /nfs/dbraw/zinc/25/01/22/400250122.db2.gz VEFOHOJTFNQYTL-SUMWQHHRSA-N 1 1 304.390 3.201 20 5 DGBDMO CO[C@@]1(C)CCCN(c2cc[nH+]c3ccc([N+](=O)[O-])cc32)C1 ZINC000601155962 400251191 /nfs/dbraw/zinc/25/11/91/400251191.db2.gz ITBNJVUHASDLSR-INIZCTEOSA-N 1 1 301.346 3.148 20 5 DGBDMO C[C@H]1CCN(c2cc[nH+]c3ccc([N+](=O)[O-])cc32)CCS1 ZINC000601154897 400251447 /nfs/dbraw/zinc/25/14/47/400251447.db2.gz AQOZNYICCIVNNV-NSHDSACASA-N 1 1 303.387 3.475 20 5 DGBDMO C[C@@H](c1ccccc1[N+](=O)[O-])[N@H+]1CCC[C@H](n2ccnc2)C1 ZINC000610368835 400252128 /nfs/dbraw/zinc/25/21/28/400252128.db2.gz UTMVGBJSIMHDBD-KBPBESRZSA-N 1 1 300.362 3.189 20 5 DGBDMO C[C@@H]1C[N@H+](CCCOc2ccc([N+](=O)[O-])cc2)C[C@H](C)S1 ZINC000610370633 400252877 /nfs/dbraw/zinc/25/28/77/400252877.db2.gz FGCAFYQFRGZVQO-BETUJISGSA-N 1 1 310.419 3.190 20 5 DGBDMO O=[N+]([O-])c1cc(F)ccc1C[N@H+]1CCC[C@H]1[C@H]1CCCOC1 ZINC000595563829 400189651 /nfs/dbraw/zinc/18/96/51/400189651.db2.gz ULDJDTRIAYGANQ-ZFWWWQNUSA-N 1 1 308.353 3.125 20 5 DGBDMO O=[N+]([O-])c1ccc2[nH+]ccc(N3CCC[C@@H]3[C@@H]3CCCO3)c2c1 ZINC000601161233 400253452 /nfs/dbraw/zinc/25/34/52/400253452.db2.gz FFOILMRPGHZUBT-SJORKVTESA-N 1 1 313.357 3.291 20 5 DGBDMO Cc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@@H+]1C[C@H](C)C[C@H](C)C1 ZINC000026161162 400253703 /nfs/dbraw/zinc/25/37/03/400253703.db2.gz UVJIMYHYILFLKA-BETUJISGSA-N 1 1 319.405 3.210 20 5 DGBDMO O=[N+]([O-])c1ccc(-c2ccc(C[N@@H+]3CC[C@@H](CO)C3)s2)cc1 ZINC000092763330 400203508 /nfs/dbraw/zinc/20/35/08/400203508.db2.gz BSYAGTYDVUCNPF-GFCCVEGCSA-N 1 1 318.398 3.138 20 5 DGBDMO CC(=O)c1ccc(NC[C@@H](c2ccco2)[NH+](C)C)c([N+](=O)[O-])c1 ZINC000067949194 400218829 /nfs/dbraw/zinc/21/88/29/400218829.db2.gz FFWBQAASEWBYFU-HNNXBMFYSA-N 1 1 317.345 3.105 20 5 DGBDMO C[C@H]([N@@H+](C)Cc1cc([N+](=O)[O-])cc2c1OCOC2)C(C)(C)C ZINC000027133715 400267628 /nfs/dbraw/zinc/26/76/28/400267628.db2.gz NZKSPXGRMGXHPO-NSHDSACASA-N 1 1 308.378 3.328 20 5 DGBDMO CN(c1ccccc1)[C@@H]1CC[N@@H+](Cc2ccccc2[N+](=O)[O-])C1 ZINC000595826039 400273014 /nfs/dbraw/zinc/27/30/14/400273014.db2.gz JRZYLHMBIFXLST-QGZVFWFLSA-N 1 1 311.385 3.306 20 5 DGBDMO C[N@H+]1CC[C@@H]2[C@@H](CCCN2Cc2ccc([N+](=O)[O-])cc2Cl)C1 ZINC000589206616 400276790 /nfs/dbraw/zinc/27/67/90/400276790.db2.gz WYFLZIURQOAQCD-XJKSGUPXSA-N 1 1 323.824 3.164 20 5 DGBDMO CCOC1CC([N@@H+](C)C/C(C)=C\c2cccc([N+](=O)[O-])c2)C1 ZINC000589209176 400276811 /nfs/dbraw/zinc/27/68/11/400276811.db2.gz LXAMMUCNIJLOGN-JYRVWZFOSA-N 1 1 304.390 3.497 20 5 DGBDMO CCC[N@@H+](C)CC(C)(C)NCc1c(F)cc([N+](=O)[O-])cc1F ZINC000595871820 400283420 /nfs/dbraw/zinc/28/34/20/400283420.db2.gz RFZUCPREQWHGEP-UHFFFAOYSA-N 1 1 315.364 3.083 20 5 DGBDMO CCOc1ccc([N+](=O)[O-])cc1C[N@H+](C)CC1=CCSC1 ZINC000595889264 400287579 /nfs/dbraw/zinc/28/75/79/400287579.db2.gz SWJRLPBEHVQKPI-UHFFFAOYSA-N 1 1 308.403 3.099 20 5 DGBDMO CCOc1ccc([N+](=O)[O-])cc1C[N@@H+](C)CC1=CCSC1 ZINC000595889264 400287586 /nfs/dbraw/zinc/28/75/86/400287586.db2.gz SWJRLPBEHVQKPI-UHFFFAOYSA-N 1 1 308.403 3.099 20 5 DGBDMO Cc1ccc([N+](=O)[O-])cc1[C@H](C)N[C@H]1CC[N@H+]2CCC[C@H]2C1 ZINC000610799552 400307858 /nfs/dbraw/zinc/30/78/58/400307858.db2.gz SNOBLQNFTQVUEV-KKUMJFAQSA-N 1 1 303.406 3.181 20 5 DGBDMO C[N@H+](CCOC(C)(C)C)Cc1ccc(Cl)cc1[N+](=O)[O-] ZINC000610859855 400315146 /nfs/dbraw/zinc/31/51/46/400315146.db2.gz QKQKOUBEWWWNRA-UHFFFAOYSA-N 1 1 300.786 3.495 20 5 DGBDMO C[N@@H+](CCOC(C)(C)C)Cc1ccc(Cl)cc1[N+](=O)[O-] ZINC000610859855 400315153 /nfs/dbraw/zinc/31/51/53/400315153.db2.gz QKQKOUBEWWWNRA-UHFFFAOYSA-N 1 1 300.786 3.495 20 5 DGBDMO Cc1cc(N[C@H]2CC[N@H+](C3CC3)C2)c2cccc([N+](=O)[O-])c2n1 ZINC000596092991 400315870 /nfs/dbraw/zinc/31/58/70/400315870.db2.gz YQXAVUDDAWBKHN-LBPRGKRZSA-N 1 1 312.373 3.100 20 5 DGBDMO O=[N+]([O-])c1ccccc1C[NH2+][C@@H](Cn1cccn1)c1ccccc1 ZINC000610432848 400258520 /nfs/dbraw/zinc/25/85/20/400258520.db2.gz DMDHBRLBKGUPNL-KRWDZBQOSA-N 1 1 322.368 3.322 20 5 DGBDMO CCOc1ccc([N+](=O)[O-])cc1C[N@@H+](CCOC)C1CCCC1 ZINC000610476283 400260968 /nfs/dbraw/zinc/26/09/68/400260968.db2.gz OKPUZAXWXXVIHA-UHFFFAOYSA-N 1 1 322.405 3.385 20 5 DGBDMO O=[N+]([O-])c1cccc(F)c1C[N@H+]1CCC[C@H](C[C@H]2CCOC2)C1 ZINC000611350085 400383057 /nfs/dbraw/zinc/38/30/57/400383057.db2.gz ATIXNIHRQZEVMY-ZIAGYGMSSA-N 1 1 322.380 3.373 20 5 DGBDMO Cc1ccc(C[NH+]2CCN(c3ccccc3)CC2)cc1[N+](=O)[O-] ZINC000033868306 400384575 /nfs/dbraw/zinc/38/45/75/400384575.db2.gz YNACZFYRHNCOCM-UHFFFAOYSA-N 1 1 311.385 3.225 20 5 DGBDMO COc1cc(N[C@H]2CC[N@@H+](C)[C@@H](C)C2)c(Cl)cc1[N+](=O)[O-] ZINC000596144399 400329426 /nfs/dbraw/zinc/32/94/26/400329426.db2.gz CZONISUQZFWOHC-UWVGGRQHSA-N 1 1 313.785 3.151 20 5 DGBDMO COc1cc(NCCCCn2cc[nH+]c2C)c([N+](=O)[O-])cc1C ZINC000596146085 400330266 /nfs/dbraw/zinc/33/02/66/400330266.db2.gz LDXIGZRXTHDUNY-UHFFFAOYSA-N 1 1 318.377 3.309 20 5 DGBDMO CC[N@@H+](CC(=O)Nc1ccc([N+](=O)[O-])cc1C)C1CCCC1 ZINC000072578056 400391221 /nfs/dbraw/zinc/39/12/21/400391221.db2.gz FTQACZFRIZRAKO-UHFFFAOYSA-N 1 1 305.378 3.106 20 5 DGBDMO CC[N@H+]1CCN(c2ccc(C(F)(F)F)cc2[N+](=O)[O-])C[C@H]1C ZINC000611084423 400343806 /nfs/dbraw/zinc/34/38/06/400343806.db2.gz VTMPOOZRJORSKQ-SNVBAGLBSA-N 1 1 317.311 3.144 20 5 DGBDMO COc1cc(N[C@@H](C)C[N@@H+](C)C(C)C)c(Cl)cc1[N+](=O)[O-] ZINC000596237796 400357832 /nfs/dbraw/zinc/35/78/32/400357832.db2.gz YJCHGRBKAZCPAK-JTQLQIEISA-N 1 1 315.801 3.397 20 5 DGBDMO C[N@H+]1CCN(c2ncc([N+](=O)[O-])cc2Cl)CC12CCCCC2 ZINC000596251687 400361307 /nfs/dbraw/zinc/36/13/07/400361307.db2.gz WMZGZTSCPLZBEU-UHFFFAOYSA-N 1 1 324.812 3.098 20 5 DGBDMO COC[C@H]1CCC[N@@H+]1Cc1cc([N+](=O)[O-])ccc1C(F)(F)F ZINC000590161283 400364358 /nfs/dbraw/zinc/36/43/58/400364358.db2.gz SNVSBBIJRMLVNH-GFCCVEGCSA-N 1 1 318.295 3.224 20 5 DGBDMO COC[C@H]1CCC[N@H+]1Cc1cc([N+](=O)[O-])ccc1C(F)(F)F ZINC000590161283 400364360 /nfs/dbraw/zinc/36/43/60/400364360.db2.gz SNVSBBIJRMLVNH-GFCCVEGCSA-N 1 1 318.295 3.224 20 5 DGBDMO O=[N+]([O-])c1ccccc1/C=C\C[N@@H+]1CCOCC12CCCC2 ZINC000611275704 400372753 /nfs/dbraw/zinc/37/27/53/400372753.db2.gz BXKVOUYUKXSLOU-ALCCZGGFSA-N 1 1 302.374 3.253 20 5 DGBDMO O=[N+]([O-])c1ccccc1/C=C\C[N@H+]1CCOCC12CCCC2 ZINC000611275704 400372754 /nfs/dbraw/zinc/37/27/54/400372754.db2.gz BXKVOUYUKXSLOU-ALCCZGGFSA-N 1 1 302.374 3.253 20 5 DGBDMO CC(=O)c1ccc(NC[C@H]2CC[N@H+]2C(C)(C)C)c([N+](=O)[O-])c1 ZINC000596308352 400376149 /nfs/dbraw/zinc/37/61/49/400376149.db2.gz RFFYRGKVDGCZGB-CYBMUJFWSA-N 1 1 305.378 3.082 20 5 DGBDMO CC(C)(C)[N@H+]1CC[C@@H]1CNc1ccc([N+](=O)[O-])c2cccnc12 ZINC000596308795 400377119 /nfs/dbraw/zinc/37/71/19/400377119.db2.gz VHGLIXAGEJWHKI-GFCCVEGCSA-N 1 1 314.389 3.428 20 5 DGBDMO O=[N+]([O-])c1ccsc1N[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000611410971 400395301 /nfs/dbraw/zinc/39/53/01/400395301.db2.gz DQIFQSVGQDJLTP-CYBMUJFWSA-N 1 1 303.387 3.343 20 5 DGBDMO CCCn1cc[nH+]c1CCCN(C)c1ccc([N+](=O)[O-])s1 ZINC000617481374 400395462 /nfs/dbraw/zinc/39/54/62/400395462.db2.gz AJPCMZSUGYUDHZ-UHFFFAOYSA-N 1 1 308.407 3.332 20 5 DGBDMO O=[N+]([O-])c1ccsc1N1CC[C@H]2[C@H](CCC[N@H+]2C2CC2)C1 ZINC000611413766 400396369 /nfs/dbraw/zinc/39/63/69/400396369.db2.gz SEIHQCLVEAMSFI-YPMHNXCESA-N 1 1 307.419 3.109 20 5 DGBDMO CN1Cc2ccccc2[C@H]([NH2+]Cc2ccc([N+](=O)[O-])cc2F)C1 ZINC000611498484 400411490 /nfs/dbraw/zinc/41/14/90/400411490.db2.gz IUJPENYNSWMKFA-QGZVFWFLSA-N 1 1 315.348 3.010 20 5 DGBDMO Cc1nc(N[C@@H]2CC[N@H+](C3CCCCC3)C2)ccc1[N+](=O)[O-] ZINC000596479184 400424581 /nfs/dbraw/zinc/42/45/81/400424581.db2.gz LXIMZBHQGLGAQX-CYBMUJFWSA-N 1 1 304.394 3.117 20 5 DGBDMO O=[N+]([O-])c1sccc1NC[C@H]1CC[N@@H+]1Cc1ccccc1 ZINC000596557235 400443920 /nfs/dbraw/zinc/44/39/20/400443920.db2.gz FIJPWTJIMGXHHE-CYBMUJFWSA-N 1 1 303.387 3.343 20 5 DGBDMO O=[N+]([O-])c1sccc1NC[C@H]1CC[N@H+]1Cc1ccccc1 ZINC000596557235 400443925 /nfs/dbraw/zinc/44/39/25/400443925.db2.gz FIJPWTJIMGXHHE-CYBMUJFWSA-N 1 1 303.387 3.343 20 5 DGBDMO O=[N+]([O-])c1ccc(NC[C@@H]2CC[N@H+]2Cc2ccccc2)s1 ZINC000596557579 400444455 /nfs/dbraw/zinc/44/44/55/400444455.db2.gz JQZQNCYEDOOBEQ-ZDUSSCGKSA-N 1 1 303.387 3.343 20 5 DGBDMO CCO[C@@H]1C[C@@H]([N@H+](C)Cc2csc([N+](=O)[O-])c2)C12CCC2 ZINC000120997215 400450204 /nfs/dbraw/zinc/45/02/04/400450204.db2.gz KADFIUBCCSJCAN-CHWSQXEVSA-N 1 1 310.419 3.436 20 5 DGBDMO CCO[C@@H]1C[C@@H]([N@@H+](C)Cc2csc([N+](=O)[O-])c2)C12CCC2 ZINC000120997215 400450209 /nfs/dbraw/zinc/45/02/09/400450209.db2.gz KADFIUBCCSJCAN-CHWSQXEVSA-N 1 1 310.419 3.436 20 5 DGBDMO COc1ccc([N+](=O)[O-])cc1C[NH2+][C@@H](C)c1cnc(C)s1 ZINC000127351657 400500879 /nfs/dbraw/zinc/50/08/79/400500879.db2.gz KIIIXLIODXRBRM-VIFPVBQESA-N 1 1 307.375 3.219 20 5 DGBDMO O=[N+]([O-])c1cc(C[N@@H+](CCO)[C@@H]2CCc3ccccc32)cs1 ZINC000074311695 400503443 /nfs/dbraw/zinc/50/34/43/400503443.db2.gz DUVRIIUQOBSCQL-OAHLLOKOSA-N 1 1 318.398 3.138 20 5 DGBDMO O=[N+]([O-])c1cc(C[N@H+](CCO)[C@@H]2CCc3ccccc32)cs1 ZINC000074311695 400503447 /nfs/dbraw/zinc/50/34/47/400503447.db2.gz DUVRIIUQOBSCQL-OAHLLOKOSA-N 1 1 318.398 3.138 20 5 DGBDMO CCC(C)(C)[N@@H+](C)Cc1nc(-c2cccc([N+](=O)[O-])c2)no1 ZINC000074320297 400504898 /nfs/dbraw/zinc/50/48/98/400504898.db2.gz CYZJXJLVRRIUBH-UHFFFAOYSA-N 1 1 304.350 3.265 20 5 DGBDMO CCCN1CCC([NH2+]CCCCc2ccc([N+](=O)[O-])cc2)CC1 ZINC000591260866 400504969 /nfs/dbraw/zinc/50/49/69/400504969.db2.gz KDPZAODQFUEDOT-UHFFFAOYSA-N 1 1 319.449 3.382 20 5 DGBDMO COc1ncc(C[NH2+]C(C)(C)c2ccc([N+](=O)[O-])cc2)s1 ZINC000602610662 400510669 /nfs/dbraw/zinc/51/06/69/400510669.db2.gz IDAWBUFMFGJMDH-UHFFFAOYSA-N 1 1 307.375 3.085 20 5 DGBDMO C[N@@H+](Cc1cc(Br)c([N+](=O)[O-])s1)CC1CC1 ZINC000602450555 400466889 /nfs/dbraw/zinc/46/68/89/400466889.db2.gz APYRTRCKVNQVQO-UHFFFAOYSA-N 1 1 305.197 3.261 20 5 DGBDMO C[N@H+](Cc1cc(Br)c([N+](=O)[O-])s1)CC1CC1 ZINC000602450555 400466890 /nfs/dbraw/zinc/46/68/90/400466890.db2.gz APYRTRCKVNQVQO-UHFFFAOYSA-N 1 1 305.197 3.261 20 5 DGBDMO Cc1ncc([N+](=O)[O-])n1CC[N@@H+]1CC[C@H](C)C[C@@H]1c1ccco1 ZINC000602780333 400571846 /nfs/dbraw/zinc/57/18/46/400571846.db2.gz HGFURHQESMSRQV-GXTWGEPZSA-N 1 1 318.377 3.166 20 5 DGBDMO Cc1[nH]c2nc[nH+]c(N(C)Cc3ccccc3[N+](=O)[O-])c2c1C ZINC000591896393 400574943 /nfs/dbraw/zinc/57/49/43/400574943.db2.gz MNAYQXFLQISCDP-UHFFFAOYSA-N 1 1 311.345 3.119 20 5 DGBDMO O=[N+]([O-])c1ccc([C@@H]2CCC[N@@H+](Cc3ccns3)C2)cc1 ZINC000602685395 400538302 /nfs/dbraw/zinc/53/83/02/400538302.db2.gz NYQUFNVLELJRSA-CYBMUJFWSA-N 1 1 303.387 3.431 20 5 DGBDMO O=[N+]([O-])c1ccc2oc(C[NH2+]CCOCC3CCCC3)nc2c1 ZINC000602686753 400539795 /nfs/dbraw/zinc/53/97/95/400539795.db2.gz HSUUOVIZWUNXJQ-UHFFFAOYSA-N 1 1 319.361 3.032 20 5 DGBDMO Cc1ncc([N+](=O)[O-])n1CC[N@H+]1CCC[C@@H]1c1cccc(C)c1 ZINC000602767581 400568925 /nfs/dbraw/zinc/56/89/25/400568925.db2.gz IEXQZSOCSHJTFC-MRXNPFEDSA-N 1 1 314.389 3.245 20 5 DGBDMO C[N@@H+](Cc1cccc([N+](=O)[O-])c1)[C@H](CCO)c1ccccc1 ZINC000075898248 400619640 /nfs/dbraw/zinc/61/96/40/400619640.db2.gz VOUIFAHMEDFAEP-QGZVFWFLSA-N 1 1 300.358 3.150 20 5 DGBDMO COc1cc(C[NH+]2CCC(C)(F)CC2)c([N+](=O)[O-])cc1F ZINC000602992630 400623054 /nfs/dbraw/zinc/62/30/54/400623054.db2.gz AXALULZKBJTJBU-UHFFFAOYSA-N 1 1 300.305 3.067 20 5 DGBDMO O=[N+]([O-])c1ccc2c(c1)[C@@H](N[C@@H]1CC[N@H+](CC3CC3)C1)CCC2 ZINC000618567989 400625725 /nfs/dbraw/zinc/62/57/25/400625725.db2.gz DSGBSHCVIOLMBJ-QAPCUYQASA-N 1 1 315.417 3.046 20 5 DGBDMO O=[N+]([O-])c1ccc2c(c1)[C@@H](N[C@@H]1CC[N@@H+](CC3CC3)C1)CCC2 ZINC000618567989 400625731 /nfs/dbraw/zinc/62/57/31/400625731.db2.gz DSGBSHCVIOLMBJ-QAPCUYQASA-N 1 1 315.417 3.046 20 5 DGBDMO O=[N+]([O-])c1cccc(C[N@@H+](Cc2ccco2)C[C@H]2CCCO2)c1 ZINC000141816481 400627306 /nfs/dbraw/zinc/62/73/06/400627306.db2.gz XTPMLLDDYJIMLQ-QGZVFWFLSA-N 1 1 316.357 3.369 20 5 DGBDMO O=[N+]([O-])c1cccc(C[N@H+](Cc2ccco2)C[C@H]2CCCO2)c1 ZINC000141816481 400627307 /nfs/dbraw/zinc/62/73/07/400627307.db2.gz XTPMLLDDYJIMLQ-QGZVFWFLSA-N 1 1 316.357 3.369 20 5 DGBDMO CC(C)c1ccc(C[N@@H+]2C[C@@H](C)[C@H](O)[C@@H](C)C2)cc1[N+](=O)[O-] ZINC000597204590 400587500 /nfs/dbraw/zinc/58/75/00/400587500.db2.gz JLHGUKNSOSMHLK-LAQFHYBYSA-N 1 1 306.406 3.167 20 5 DGBDMO O=[N+]([O-])c1ccc(C[N@H+]2CCC[C@H]2[C@H]2CCCOC2)c(F)c1 ZINC000592134933 400610682 /nfs/dbraw/zinc/61/06/82/400610682.db2.gz VDDVGVWXTSEKDP-BBRMVZONSA-N 1 1 308.353 3.125 20 5 DGBDMO CC(C)[N@@H+](C)CC1CCN(c2ccc(F)cc2[N+](=O)[O-])CC1 ZINC000076871935 400677959 /nfs/dbraw/zinc/67/79/59/400677959.db2.gz MDHAWZWXEZRSGQ-UHFFFAOYSA-N 1 1 309.385 3.291 20 5 DGBDMO CC[C@@H](N[C@@H]1CC[N@H+](CC2CC2)C1)c1cccc([N+](=O)[O-])c1 ZINC000157756386 400719917 /nfs/dbraw/zinc/71/99/17/400719917.db2.gz WRHQHAXEFWEVBP-NVXWUHKLSA-N 1 1 303.406 3.120 20 5 DGBDMO CC[C@@H](N[C@@H]1CC[N@@H+](CC2CC2)C1)c1cccc([N+](=O)[O-])c1 ZINC000157756386 400719919 /nfs/dbraw/zinc/71/99/19/400719919.db2.gz WRHQHAXEFWEVBP-NVXWUHKLSA-N 1 1 303.406 3.120 20 5 DGBDMO CCOC(=O)CC[C@H]1CCC[N@@H+](Cc2ccc([N+](=O)[O-])cc2)C1 ZINC000162125996 400744113 /nfs/dbraw/zinc/74/41/13/400744113.db2.gz RTEGSBASHQQICH-CQSZACIVSA-N 1 1 320.389 3.150 20 5 DGBDMO Cc1cccc([N+](=O)[O-])c1NC(=O)C[N@H+](C)[C@@H](C)C(C)(C)C ZINC000164541835 400750015 /nfs/dbraw/zinc/75/00/15/400750015.db2.gz IODAONKHYMXUPS-LBPRGKRZSA-N 1 1 307.394 3.208 20 5 DGBDMO CC[N@@H+](CCOc1cccc([N+](=O)[O-])c1)CCC(F)(F)F ZINC000604525331 400783561 /nfs/dbraw/zinc/78/35/61/400783561.db2.gz PJMFCGRDKCJQNL-UHFFFAOYSA-N 1 1 306.284 3.248 20 5 DGBDMO COc1ccc([N+](=O)[O-])cc1C[NH2+][C@@H]1CCCc2cccnc21 ZINC000619611099 400873294 /nfs/dbraw/zinc/87/32/94/400873294.db2.gz GYXKSJDHIDOWBI-OAHLLOKOSA-N 1 1 313.357 3.166 20 5 DGBDMO CC(C)c1ccc(C[N@H+]2CC[C@@H](C)[C@H](CO)C2)cc1[N+](=O)[O-] ZINC000598676245 400855381 /nfs/dbraw/zinc/85/53/81/400855381.db2.gz FROZUCQDSIWTGM-HIFRSBDPSA-N 1 1 306.406 3.169 20 5 DGBDMO Cc1ccc([C@H](C)[NH2+]C[C@H]2CCCC[N@H+](C)C2)cc1[N+](=O)[O-] ZINC000599069292 400949177 /nfs/dbraw/zinc/94/91/77/400949177.db2.gz FBUASXQCMCUMCV-LSDHHAIUSA-N 1 1 305.422 3.286 20 5 DGBDMO C[C@@H](CCO)[N@@H+](C)Cc1ccc(-c2ccccc2[N+](=O)[O-])o1 ZINC000593695195 400893733 /nfs/dbraw/zinc/89/37/33/400893733.db2.gz YKXBDTILBZKSAE-LBPRGKRZSA-N 1 1 304.346 3.058 20 5 DGBDMO Cc1ccc([N+](=O)[O-])cc1[C@H](C)N1C[C@@H]2CCC[C@]2(C[NH3+])C1 ZINC000593733978 400900407 /nfs/dbraw/zinc/90/04/07/400900407.db2.gz PULSOORDLKZPOF-ZQIUZPCESA-N 1 1 303.406 3.025 20 5 DGBDMO COc1cc([N+](=O)[O-])ccc1C[N@@H+]1CCC[C@H](OC2CCC2)C1 ZINC000594027747 400952746 /nfs/dbraw/zinc/95/27/46/400952746.db2.gz ZGGSUVRZOQRTOL-INIZCTEOSA-N 1 1 320.389 3.137 20 5 DGBDMO COc1cc([N+](=O)[O-])ccc1C[N@H+]1CCC[C@H](OC2CCC2)C1 ZINC000594027747 400952751 /nfs/dbraw/zinc/95/27/51/400952751.db2.gz ZGGSUVRZOQRTOL-INIZCTEOSA-N 1 1 320.389 3.137 20 5 DGBDMO C[C@@H](C[N@H+]1CC[C@@H](Nc2ccc([N+](=O)[O-])cn2)C1)C(C)(C)C ZINC000619844462 400910085 /nfs/dbraw/zinc/91/00/85/400910085.db2.gz ASQMEFDOHLSRHI-QWHCGFSZSA-N 1 1 306.410 3.158 20 5 DGBDMO C[N@@H+](CCc1cccc([N+](=O)[O-])c1)Cc1[nH]nc2ccccc21 ZINC000619846223 400910144 /nfs/dbraw/zinc/91/01/44/400910144.db2.gz JUONQFDOXLDMLG-UHFFFAOYSA-N 1 1 310.357 3.146 20 5 DGBDMO C[N@H+](CCc1cccc([N+](=O)[O-])c1)Cc1n[nH]c2ccccc21 ZINC000619846223 400910149 /nfs/dbraw/zinc/91/01/49/400910149.db2.gz JUONQFDOXLDMLG-UHFFFAOYSA-N 1 1 310.357 3.146 20 5 DGBDMO C[N@@H+](CCc1cccc([N+](=O)[O-])c1)Cc1n[nH]c2ccccc21 ZINC000619846223 400910154 /nfs/dbraw/zinc/91/01/54/400910154.db2.gz JUONQFDOXLDMLG-UHFFFAOYSA-N 1 1 310.357 3.146 20 5 DGBDMO O=[N+]([O-])c1ccc(C[N@@H+]2CCC[C@@H](OC3CCC3)C2)c(F)c1 ZINC000594027196 400953339 /nfs/dbraw/zinc/95/33/39/400953339.db2.gz SHPREDZQTUWTBQ-OAHLLOKOSA-N 1 1 308.353 3.267 20 5 DGBDMO O=[N+]([O-])c1ccc(C[N@H+]2CCC[C@@H](OC3CCC3)C2)c(F)c1 ZINC000594027196 400953344 /nfs/dbraw/zinc/95/33/44/400953344.db2.gz SHPREDZQTUWTBQ-OAHLLOKOSA-N 1 1 308.353 3.267 20 5 DGBDMO COc1cccc(NC[C@H]2CC[N@H+]2C2CCCC2)c1[N+](=O)[O-] ZINC000599166504 400983588 /nfs/dbraw/zinc/98/35/88/400983588.db2.gz XFIPFZHBUXTHNH-CYBMUJFWSA-N 1 1 305.378 3.032 20 5 DGBDMO C[N@@H+]1CCC[C@@H]1CNCc1ccc(-c2ccccc2[N+](=O)[O-])o1 ZINC000237083632 400985512 /nfs/dbraw/zinc/98/55/12/400985512.db2.gz ASASCQRNTUODPU-CYBMUJFWSA-N 1 1 315.373 3.039 20 5 DGBDMO C[N@H+]1CCCC[C@@H](CNc2ccc([N+](=O)[O-])c3cnccc23)C1 ZINC000599140330 400973835 /nfs/dbraw/zinc/97/38/35/400973835.db2.gz UUNHGOBWKNAFRG-ZDUSSCGKSA-N 1 1 314.389 3.287 20 5 DGBDMO C[C@@H]1C[NH+](Cc2ccc(F)cc2[N+](=O)[O-])C[C@@H](C)C1(F)F ZINC000599514418 401064925 /nfs/dbraw/zinc/06/49/25/401064925.db2.gz HZQUACHQHOUCRW-NXEZZACHSA-N 1 1 302.296 3.457 20 5 DGBDMO COC(=O)c1ccc([N+](=O)[O-])c(C[N@H+]2C[C@@H]3CCCC[C@@]32C)c1 ZINC000599669133 401108189 /nfs/dbraw/zinc/10/81/89/401108189.db2.gz BTZUJMBUTWVEDA-YOEHRIQHSA-N 1 1 318.373 3.146 20 5 DGBDMO Cc1cccc([N+](=O)[O-])c1NC(=O)C[N@H+]1CCCC2(CC2)CC1 ZINC000599673545 401108589 /nfs/dbraw/zinc/10/85/89/401108589.db2.gz SWNSVOJINKJGRW-UHFFFAOYSA-N 1 1 317.389 3.108 20 5 DGBDMO COc1ccc([N+](=O)[O-])c(N[C@@H]2CCC[N@H+]3CCCC[C@@H]23)c1 ZINC000594599959 401125379 /nfs/dbraw/zinc/12/53/79/401125379.db2.gz KUTRQYUYDDRICV-HIFRSBDPSA-N 1 1 305.378 3.032 20 5 DGBDMO C[C@H]1CC(F)(F)CC[N@H+]1CCOc1ccccc1[N+](=O)[O-] ZINC000599623353 401093284 /nfs/dbraw/zinc/09/32/84/401093284.db2.gz ORAKFTPHZCPAIR-NSHDSACASA-N 1 1 300.305 3.093 20 5 DGBDMO CC(C)(C)[N@H+]1CC[C@@H](NC/C=C\c2ccccc2[N+](=O)[O-])C1 ZINC000594956580 401207136 /nfs/dbraw/zinc/20/71/36/401207136.db2.gz LPFZTRNHZSCSOH-DDJMYBDESA-N 1 1 303.406 3.070 20 5 DGBDMO CC(C)(C)N1CC[C@@H]([NH2+]C/C=C\c2ccccc2[N+](=O)[O-])C1 ZINC000594956580 401207141 /nfs/dbraw/zinc/20/71/41/401207141.db2.gz LPFZTRNHZSCSOH-DDJMYBDESA-N 1 1 303.406 3.070 20 5 DGBDMO CC(=O)c1ccc(NC[C@H]2CCC[N@H+](C(C)C)C2)c([N+](=O)[O-])c1 ZINC000063738982 401213789 /nfs/dbraw/zinc/21/37/89/401213789.db2.gz QTLCDXRXGJIRJM-CQSZACIVSA-N 1 1 319.405 3.330 20 5 DGBDMO C[N@H+](CCOc1ccc([N+](=O)[O-])cc1)Cc1ccc(F)cc1F ZINC000065533000 401270116 /nfs/dbraw/zinc/27/01/16/401270116.db2.gz PWHVVNPTDQUHGJ-UHFFFAOYSA-N 1 1 322.311 3.384 20 5 DGBDMO C[N@@H+](CCOc1ccc([N+](=O)[O-])cc1)Cc1ccc(F)cc1F ZINC000065533000 401270119 /nfs/dbraw/zinc/27/01/19/401270119.db2.gz PWHVVNPTDQUHGJ-UHFFFAOYSA-N 1 1 322.311 3.384 20 5 DGBDMO CC[C@@H](C[NH2+][C@H](C)c1ccc([N+](=O)[O-])cc1OC)N1CCCC1 ZINC000595006668 401226890 /nfs/dbraw/zinc/22/68/90/401226890.db2.gz HYRVKTOHNQNGPR-KGLIPLIRSA-N 1 1 321.421 3.128 20 5 DGBDMO COc1cc([N+](=O)[O-])ccc1[C@@H](C)NCC[N@@H+](C)C1CCCC1 ZINC000595012863 401231623 /nfs/dbraw/zinc/23/16/23/401231623.db2.gz PKMXUJXLYVEDKW-CYBMUJFWSA-N 1 1 321.421 3.128 20 5 DGBDMO CC(C)(CNC/C=C\c1ccccc1[N+](=O)[O-])C[NH+]1CCCC1 ZINC000360181228 286437454 /nfs/dbraw/zinc/43/74/54/286437454.db2.gz PXQRQTSDXIKKET-CLFYSBASSA-N 1 1 317.433 3.320 20 5 DGBDMO CCc1cnccc1[C@@H](C)[NH2+]Cc1cc([N+](=O)[O-])ccc1OC ZINC000361132431 286605022 /nfs/dbraw/zinc/60/50/22/286605022.db2.gz POZFBCHLTWEYRA-GFCCVEGCSA-N 1 1 315.373 3.412 20 5 DGBDMO CC[C@H]1[C@H](C)CC[N@H+]1CCC(=O)Nc1cc([N+](=O)[O-])ccc1C ZINC000185618887 165009862 /nfs/dbraw/zinc/00/98/62/165009862.db2.gz JSJXRYSZJRVOFM-CJNGLKHVSA-N 1 1 319.405 3.352 20 5 DGBDMO CC[C@H]1[C@H](C)CC[N@H+]1Cc1cc(OC)c(OC)cc1[N+](=O)[O-] ZINC000187578794 165095283 /nfs/dbraw/zinc/09/52/83/165095283.db2.gz KXWZXCPXHVEPBD-YPMHNXCESA-N 1 1 308.378 3.232 20 5 DGBDMO C[C@@H]1CCCC[N@H+]1C[C@@H]1CCCN(c2ncc([N+](=O)[O-])s2)C1 ZINC000192455213 165292160 /nfs/dbraw/zinc/29/21/60/165292160.db2.gz JWOGBERNRVEMKN-OLZOCXBDSA-N 1 1 324.450 3.142 20 5 DGBDMO C[C@@H](c1ccccc1[N+](=O)[O-])[N@H+]1CCOC[C@H](C2CCC2)C1 ZINC000292185604 287152661 /nfs/dbraw/zinc/15/26/61/287152661.db2.gz QXGLBWXVSNSYNP-DZGCQCFKSA-N 1 1 304.390 3.404 20 5 DGBDMO CC[C@@H](O)[C@@H]1CCCC[N@H+]1Cc1ccc([N+](=O)[O-])cc1Cl ZINC000182182809 432163467 /nfs/dbraw/zinc/16/34/67/432163467.db2.gz OIOFAYZYUZDPFP-LSDHHAIUSA-N 1 1 312.797 3.374 20 5 DGBDMO O=[N+]([O-])c1cc(C[N@H+]2CC[C@H]3OCCC[C@H]3C2)ccc1Cl ZINC000246765032 432163797 /nfs/dbraw/zinc/16/37/97/432163797.db2.gz QEXDYCXNUHICPV-SWLSCSKDSA-N 1 1 310.781 3.249 20 5 DGBDMO C[N@@H+](Cc1ccc([N+](=O)[O-])cc1Cl)[C@@H](CO)C(C)(C)C ZINC000182354141 432181997 /nfs/dbraw/zinc/18/19/97/432181997.db2.gz ALUPEJWPTUZFMX-ZDUSSCGKSA-N 1 1 300.786 3.087 20 5 DGBDMO C[C@H]1c2ccccc2CC[N@@H+]1C[C@@H](O)c1cccc([N+](=O)[O-])c1 ZINC000269626972 432188910 /nfs/dbraw/zinc/18/89/10/432188910.db2.gz DEANQTXPEBCZQX-SCLBCKFNSA-N 1 1 312.369 3.248 20 5 DGBDMO C[C@@H]1C[C@@H]2CCCC[C@@H]2[N@H+]1C[C@H](O)c1cccc([N+](=O)[O-])c1 ZINC000269626945 432189461 /nfs/dbraw/zinc/18/94/61/432189461.db2.gz DCMQSUGNNIYSBJ-OQUILHJVSA-N 1 1 304.390 3.281 20 5 DGBDMO C[N@@H+](CCCc1ccccc1)C[C@H](O)c1cccc([N+](=O)[O-])c1 ZINC000269648101 432191627 /nfs/dbraw/zinc/19/16/27/432191627.db2.gz FPKFQXDVQNJHMA-SFHVURJKSA-N 1 1 314.385 3.193 20 5 DGBDMO C[N@@H+](Cc1ccc([N+](=O)[O-])cc1Cl)C1CCC(CO)CC1 ZINC000182353488 432182971 /nfs/dbraw/zinc/18/29/71/432182971.db2.gz NLUFDRXJKQKXJN-UHFFFAOYSA-N 1 1 312.797 3.231 20 5 DGBDMO CC[N@H+](Cc1cccs1)C[C@H](O)c1cccc([N+](=O)[O-])c1 ZINC000269698154 432198721 /nfs/dbraw/zinc/19/87/21/432198721.db2.gz KVYFEXOKIOTXLD-HNNXBMFYSA-N 1 1 306.387 3.212 20 5 DGBDMO C[C@H](C[N@@H+](C)C[C@@H](O)c1cccc([N+](=O)[O-])c1)c1ccccc1 ZINC000269653268 432193100 /nfs/dbraw/zinc/19/31/00/432193100.db2.gz NJTBFQHLKUADJS-RDTXWAMCSA-N 1 1 314.385 3.364 20 5 DGBDMO Cc1cnn([C@@H]2CCC[N@H+]([C@H](C)c3cccc([N+](=O)[O-])c3)C2)c1 ZINC000247254079 432216821 /nfs/dbraw/zinc/21/68/21/432216821.db2.gz UFEXACGFIGGVCR-RHSMWYFYSA-N 1 1 314.389 3.498 20 5 DGBDMO Cc1c([C@H](C)N[C@H]2C[C@@H](C)[N@@H+](C3CC3)C2)cccc1[N+](=O)[O-] ZINC000247262688 432217028 /nfs/dbraw/zinc/21/70/28/432217028.db2.gz ZHINZWBZWUOYPJ-XBFCOCLRSA-N 1 1 303.406 3.179 20 5 DGBDMO Cc1c([C@H](C)N[C@H]2C[C@@H](C)[N@H+](C3CC3)C2)cccc1[N+](=O)[O-] ZINC000247262688 432217030 /nfs/dbraw/zinc/21/70/30/432217030.db2.gz ZHINZWBZWUOYPJ-XBFCOCLRSA-N 1 1 303.406 3.179 20 5 DGBDMO COc1ccc(OCC[N@@H+](C)Cc2ccccc2)c([N+](=O)[O-])c1 ZINC000173492026 228281353 /nfs/dbraw/zinc/28/13/53/228281353.db2.gz HJJKLNBNDSVNFB-UHFFFAOYSA-N 1 1 316.357 3.114 20 5 DGBDMO [NH3+]C[C@@H]1CCCN(Cc2ccc(-c3ccccc3[N+](=O)[O-])o2)C1 ZINC000347060170 264149864 /nfs/dbraw/zinc/14/98/64/264149864.db2.gz XOBMCCMMDVEWNW-ZDUSSCGKSA-N 1 1 315.373 3.026 20 5 DGBDMO C/C(=C\c1cccc([N+](=O)[O-])c1)C[N@@H+](C)CC[C@@H]1CCCO1 ZINC000347376618 264210008 /nfs/dbraw/zinc/21/00/08/264210008.db2.gz OJHYWMXRQCUUOQ-WKOYGUFESA-N 1 1 304.390 3.499 20 5 DGBDMO COc1ccc([N+](=O)[O-])cc1C[N@@H+]1CC[C@@H](C(F)(F)F)[C@@H]1C ZINC000348246608 264373709 /nfs/dbraw/zinc/37/37/09/264373709.db2.gz RGWKNMLEBLWFDV-JOYOIKCWSA-N 1 1 318.295 3.376 20 5 DGBDMO COc1ccc([N+](=O)[O-])cc1C[N@H+]1CC[C@@H](C(F)(F)F)[C@@H]1C ZINC000348246608 264373710 /nfs/dbraw/zinc/37/37/10/264373710.db2.gz RGWKNMLEBLWFDV-JOYOIKCWSA-N 1 1 318.295 3.376 20 5 DGBDMO Cn1ccnc1[C@H]([NH2+][C@H]1CCC1(C)C)c1cccc([N+](=O)[O-])c1 ZINC000348293833 264383835 /nfs/dbraw/zinc/38/38/35/264383835.db2.gz POXJCDKTFPJXSE-LSDHHAIUSA-N 1 1 314.389 3.196 20 5 DGBDMO O=[N+]([O-])c1cc2ccccc2nc1N[C@H]1CC[N@H+]2CCCC[C@H]12 ZINC000352362534 265016113 /nfs/dbraw/zinc/01/61/13/265016113.db2.gz VYQLZVFRVKREQL-LSDHHAIUSA-N 1 1 312.373 3.182 20 5 DGBDMO C[C@@H]1C[N@H+](C2CC2)C[C@H]1Nc1nc2ccccc2cc1[N+](=O)[O-] ZINC000352366250 265018645 /nfs/dbraw/zinc/01/86/45/265018645.db2.gz CNXVUCSOBBZTIV-IAQYHMDHSA-N 1 1 312.373 3.038 20 5 DGBDMO Cc1ccc([N+](=O)[O-])cc1[C@@H](C)[N@H+]1CCC[C@H](n2cccn2)C1 ZINC000352400846 265032716 /nfs/dbraw/zinc/03/27/16/265032716.db2.gz VDCRGGZUQLVLIA-ZBFHGGJFSA-N 1 1 314.389 3.498 20 5 DGBDMO C[N@H+](CCc1ccccc1[N+](=O)[O-])Cc1ccncc1Cl ZINC000352550429 265086078 /nfs/dbraw/zinc/08/60/78/265086078.db2.gz MXLFFZOZVSHIFQ-UHFFFAOYSA-N 1 1 305.765 3.318 20 5 DGBDMO C[N@@H+](CCc1ccccc1[N+](=O)[O-])Cc1ccncc1Cl ZINC000352550429 265086081 /nfs/dbraw/zinc/08/60/81/265086081.db2.gz MXLFFZOZVSHIFQ-UHFFFAOYSA-N 1 1 305.765 3.318 20 5 DGBDMO CO[C@]1(C)C[C@@H]([N@@H+](C)Cc2ccc([N+](=O)[O-])cc2F)C1(C)C ZINC000352612682 265104885 /nfs/dbraw/zinc/10/48/85/265104885.db2.gz QPYQJWJTMCZLCL-GDBMZVCRSA-N 1 1 310.369 3.369 20 5 DGBDMO C[C@H]1CC[C@H](c2ccccc2)[N@@H+](CCn2cc([N+](=O)[O-])cn2)C1 ZINC000352791298 265169610 /nfs/dbraw/zinc/16/96/10/265169610.db2.gz HPVOUPHJGDMJCD-WMLDXEAASA-N 1 1 314.389 3.265 20 5 DGBDMO C[C@@H]([NH2+]Cc1cccc([N+](=O)[O-])c1)c1nc2c(s1)CCC2 ZINC000355109227 265969057 /nfs/dbraw/zinc/96/90/57/265969057.db2.gz ASHUCOJSJQGCLK-SNVBAGLBSA-N 1 1 303.387 3.391 20 5 DGBDMO C[C@@H]1CC[C@H]([N@H+](C/C=C/c2ccccc2[N+](=O)[O-])CCO)C1 ZINC000356359941 266366114 /nfs/dbraw/zinc/36/61/14/266366114.db2.gz HUOGQXCCFILLLD-WQDDEOEWSA-N 1 1 304.390 3.091 20 5 DGBDMO CCOc1cccc(N[C@@H]2CC[N@H+]3CCC[C@H]3C2)c1[N+](=O)[O-] ZINC000368601397 271178302 /nfs/dbraw/zinc/17/83/02/271178302.db2.gz FTMZTADAASZALC-OLZOCXBDSA-N 1 1 305.378 3.032 20 5 DGBDMO O=[N+]([O-])c1ccccc1C[N@H+]1CCC[C@H](C[C@H]2CCOC2)C1 ZINC000369419269 271273980 /nfs/dbraw/zinc/27/39/80/271273980.db2.gz QWLLXNFIOSCWGR-HUUCEWRRSA-N 1 1 304.390 3.233 20 5 DGBDMO O=[N+]([O-])c1cccc(-c2ccc(C[N@H+]3CCCOCC3)o2)c1 ZINC000370075141 271339498 /nfs/dbraw/zinc/33/94/98/271339498.db2.gz YTOSBSGWKHMMPF-UHFFFAOYSA-N 1 1 302.330 3.077 20 5 DGBDMO C[C@@H](NC[C@H](C)[NH+]1CCC(C)CC1)c1cccc([N+](=O)[O-])c1 ZINC000173363407 274249730 /nfs/dbraw/zinc/24/97/30/274249730.db2.gz AXWJNLZZKHKKOM-LSDHHAIUSA-N 1 1 305.422 3.366 20 5 DGBDMO C[N@H+]1CCC[C@@H]2CN(Cc3ccc(Cl)cc3[N+](=O)[O-])CC[C@H]21 ZINC000247983789 432259876 /nfs/dbraw/zinc/25/98/76/432259876.db2.gz IPYBFIVIMJFHHI-IUODEOHRSA-N 1 1 323.824 3.164 20 5 DGBDMO CCCC[N@@H+](C)CCNc1ccc2cc([N+](=O)[O-])ccc2n1 ZINC000488254043 429177840 /nfs/dbraw/zinc/17/78/40/429177840.db2.gz LQKBPYCQSMCJBS-UHFFFAOYSA-N 1 1 302.378 3.287 20 5 DGBDMO C[N@H+]1CCC[C@]2(CCN(c3c(Cl)cccc3[N+](=O)[O-])C2)C1 ZINC000338747773 277087162 /nfs/dbraw/zinc/08/71/62/277087162.db2.gz UVYPWTCSAWBPJI-HNNXBMFYSA-N 1 1 309.797 3.170 20 5 DGBDMO COC(=O)[C@H]1CC[N@@H+]([C@H](C)c2ccccc2[N+](=O)[O-])[C@H]1C(C)C ZINC000429398683 277130506 /nfs/dbraw/zinc/13/05/06/277130506.db2.gz VOQVJIPPWKZGOS-INWMFGNUSA-N 1 1 320.389 3.175 20 5 DGBDMO COC(=O)[C@@H]1CC[N@H+]([C@@H](C)c2cc([N+](=O)[O-])ccc2C)C[C@@H]1C ZINC000249068204 277353965 /nfs/dbraw/zinc/35/39/65/277353965.db2.gz KLLYXFDKUNKETO-KCQAQPDRSA-N 1 1 320.389 3.095 20 5 DGBDMO COC(=O)[C@H]1CC[N@@H+]([C@H](C)c2cccc([N+](=O)[O-])c2)[C@H]1C(C)C ZINC000429406183 277396584 /nfs/dbraw/zinc/39/65/84/277396584.db2.gz JRCBKGZOCNTCEK-KCXAZCMYSA-N 1 1 320.389 3.175 20 5 DGBDMO CC(C)c1ccc(C[N@H+]2CCC[C@H](CO)[C@H]2C)cc1[N+](=O)[O-] ZINC000414592978 278035707 /nfs/dbraw/zinc/03/57/07/278035707.db2.gz ZZTNTANKYAHOFN-UKRRQHHQSA-N 1 1 306.406 3.311 20 5 DGBDMO C[C@H](CCO)[N@@H+](Cc1ccccc1)Cc1ccc([N+](=O)[O-])cc1 ZINC000093303941 278174965 /nfs/dbraw/zinc/17/49/65/278174965.db2.gz FJHZRMNWMZVYEB-OAHLLOKOSA-N 1 1 314.385 3.368 20 5 DGBDMO C[C@H](c1ccccc1[N+](=O)[O-])[N@H+](C)CCNC(=O)OC(C)(C)C ZINC000495870484 278313028 /nfs/dbraw/zinc/31/30/28/278313028.db2.gz CRXWWNRMZWKYPR-GFCCVEGCSA-N 1 1 323.393 3.112 20 5 DGBDMO C[C@H](c1ccccc1[N+](=O)[O-])[N@@H+](C)CCNC(=O)OC(C)(C)C ZINC000495870484 278313031 /nfs/dbraw/zinc/31/30/31/278313031.db2.gz CRXWWNRMZWKYPR-GFCCVEGCSA-N 1 1 323.393 3.112 20 5 DGBDMO Cc1nc(NC[C@H](C)[N@@H+](C)Cc2ccccc2)ccc1[N+](=O)[O-] ZINC000301678114 279101887 /nfs/dbraw/zinc/10/18/87/279101887.db2.gz TYKJMZGSNLWODH-ZDUSSCGKSA-N 1 1 314.389 3.231 20 5 DGBDMO CCCO[C@@H]1CCC[N@@H+](CCOc2ccc([N+](=O)[O-])cc2)CC1 ZINC000108396009 431139162 /nfs/dbraw/zinc/13/91/62/431139162.db2.gz RAKWKTCOJAOSTQ-MRXNPFEDSA-N 1 1 322.405 3.255 20 5 DGBDMO CC1(C)CCC[N@H+](Cc2nc(-c3ccc([N+](=O)[O-])cc3)no2)C1 ZINC000112701724 431296426 /nfs/dbraw/zinc/29/64/26/431296426.db2.gz CZGHPELXZBVSSC-UHFFFAOYSA-N 1 1 316.361 3.267 20 5 DGBDMO CC1(C)CCC[N@@H+](Cc2nc(-c3ccc([N+](=O)[O-])cc3)no2)C1 ZINC000112701724 431296434 /nfs/dbraw/zinc/29/64/34/431296434.db2.gz CZGHPELXZBVSSC-UHFFFAOYSA-N 1 1 316.361 3.267 20 5 DGBDMO O=[N+]([O-])c1ccccc1C[N@H+](CCO)[C@@H]1CCc2ccccc21 ZINC000074311516 431413796 /nfs/dbraw/zinc/41/37/96/431413796.db2.gz FGLQXBQUWHVFLL-GOSISDBHSA-N 1 1 312.369 3.077 20 5 DGBDMO Cc1ccc([N+](=O)[O-])cc1NC(=O)C[N@@H+]1CCCC[C@@H]1C(C)C ZINC000117348642 431559423 /nfs/dbraw/zinc/55/94/23/431559423.db2.gz IAJHENDPCLRYAP-MRXNPFEDSA-N 1 1 319.405 3.352 20 5 DGBDMO CC(C)[C@@H]1CCCC[N@H+]1CC(=O)Nc1ccccc1[N+](=O)[O-] ZINC000117349028 431560513 /nfs/dbraw/zinc/56/05/13/431560513.db2.gz UELNFBCGCXOJSY-AWEZNQCLSA-N 1 1 305.378 3.044 20 5 DGBDMO CC(C)[N@@H+](Cc1nc(-c2ccc([N+](=O)[O-])cc2)no1)C1CC1 ZINC000076902768 431565936 /nfs/dbraw/zinc/56/59/36/431565936.db2.gz DTMNYKHOEGJGNV-UHFFFAOYSA-N 1 1 302.334 3.018 20 5 DGBDMO O=[N+]([O-])c1cc(F)ccc1N1CC[C@H]2[C@H](CCC[N@H+]2C2CC2)C1 ZINC000161871277 280360601 /nfs/dbraw/zinc/36/06/01/280360601.db2.gz IOUYHBAJYXAWSP-DOMZBBRYSA-N 1 1 319.380 3.187 20 5 DGBDMO C[C@H]1C[N@H+](Cc2nc(-c3cccc([N+](=O)[O-])c3)no2)CC[C@@H]1C ZINC000123029387 431852550 /nfs/dbraw/zinc/85/25/50/431852550.db2.gz MMXDOJPTDYIMFV-RYUDHWBXSA-N 1 1 316.361 3.123 20 5 DGBDMO CC(C)c1[nH+]ccn1CC(=O)Nc1ccc([N+](=O)[O-])cc1Cl ZINC000123678425 431871717 /nfs/dbraw/zinc/87/17/17/431871717.db2.gz DTBOUSBAAMZNKD-UHFFFAOYSA-N 1 1 322.752 3.207 20 5 DGBDMO Cc1ccc([C@@H](C)NC[C@H]2CC[N@@H+](C3CC3)C2)cc1[N+](=O)[O-] ZINC000124362356 431891503 /nfs/dbraw/zinc/89/15/03/431891503.db2.gz LPVRNZOOMZMZJX-ZIAGYGMSSA-N 1 1 303.406 3.038 20 5 DGBDMO Cc1ccc([C@@H](C)NC[C@H]2CC[N@H+](C3CC3)C2)cc1[N+](=O)[O-] ZINC000124362356 431891505 /nfs/dbraw/zinc/89/15/05/431891505.db2.gz LPVRNZOOMZMZJX-ZIAGYGMSSA-N 1 1 303.406 3.038 20 5 DGBDMO Cc1cccc([N+](=O)[O-])c1NC(=O)C[N@@H+]1CC[C@@H](C)C[C@H](C)C1 ZINC000127568294 431975838 /nfs/dbraw/zinc/97/58/38/431975838.db2.gz MSOHXBQVMJFKKV-OLZOCXBDSA-N 1 1 319.405 3.210 20 5 DGBDMO CC(=O)c1ccc(NC[C@H](C)[N@H+]2CCC[C@@H](C)C2)c([N+](=O)[O-])c1 ZINC000052160001 431954807 /nfs/dbraw/zinc/95/48/07/431954807.db2.gz MVHIVOJXHJULQP-OLZOCXBDSA-N 1 1 319.405 3.330 20 5 DGBDMO Cc1cccc([N+](=O)[O-])c1NC(=O)C[N@H+]1CCCC(C)(C)CC1 ZINC000127111923 431964923 /nfs/dbraw/zinc/96/49/23/431964923.db2.gz YZPHTXPXMSDIHJ-UHFFFAOYSA-N 1 1 319.405 3.354 20 5 DGBDMO C[C@H](c1ccccn1)[N@@H+](C)CCOc1cccc([N+](=O)[O-])c1 ZINC000127961892 431984913 /nfs/dbraw/zinc/98/49/13/431984913.db2.gz BDDXSEDDVSLJSX-CYBMUJFWSA-N 1 1 301.346 3.062 20 5 DGBDMO Cc1cc([N+](=O)[O-])ccc1NC(=O)C[N@H+](C)[C@H]1CCCC[C@@H]1C ZINC000173188929 432263301 /nfs/dbraw/zinc/26/33/01/432263301.db2.gz YKKDOZOJUIXEIA-LRDDRELGSA-N 1 1 319.405 3.352 20 5 DGBDMO CC[C@H](CN[C@H](C)c1cccc([N+](=O)[O-])c1C)[NH+]1CCCC1 ZINC000151687247 432266550 /nfs/dbraw/zinc/26/65/50/432266550.db2.gz NUSRVCAQXLNKQK-HUUCEWRRSA-N 1 1 305.422 3.428 20 5 DGBDMO CN(Cc1ccc(Cl)cc1[N+](=O)[O-])C[C@H]1CCC[N@@H+](C)C1 ZINC000152449574 432334090 /nfs/dbraw/zinc/33/40/90/432334090.db2.gz QBAZFDUGMLGDHW-LBPRGKRZSA-N 1 1 311.813 3.022 20 5 DGBDMO Cc1noc([C@H]2CCC[N@H+]([C@H](C)c3cccc([N+](=O)[O-])c3)C2)n1 ZINC000249707312 432355424 /nfs/dbraw/zinc/35/54/24/432355424.db2.gz PMZGICJBJMZXNR-RISCZKNCSA-N 1 1 316.361 3.227 20 5 DGBDMO CCC[N@@H+]1CC[C@H](CN[C@H]2CCCc3ccc([N+](=O)[O-])cc32)C1 ZINC000249060406 432336056 /nfs/dbraw/zinc/33/60/56/432336056.db2.gz ZVVNQBWJLWCNMK-KDOFPFPSSA-N 1 1 317.433 3.294 20 5 DGBDMO CCC[N@H+]1CC[C@H](CN[C@H]2CCCc3ccc([N+](=O)[O-])cc32)C1 ZINC000249060406 432336060 /nfs/dbraw/zinc/33/60/60/432336060.db2.gz ZVVNQBWJLWCNMK-KDOFPFPSSA-N 1 1 317.433 3.294 20 5 DGBDMO CC(C)[N@@H+](CCn1cc([N+](=O)[O-])cn1)Cc1cccc(Cl)c1 ZINC000174821636 432373745 /nfs/dbraw/zinc/37/37/45/432373745.db2.gz VSEZDPBIJDICRS-UHFFFAOYSA-N 1 1 322.796 3.355 20 5 DGBDMO O=[N+]([O-])c1ccc(N[C@H]2CC[N@H+]3CCCC[C@@H]23)c2ncccc12 ZINC000271380380 432383863 /nfs/dbraw/zinc/38/38/63/432383863.db2.gz XFVMODYXIUHGAJ-BBRMVZONSA-N 1 1 312.373 3.182 20 5 DGBDMO Cc1ccc([C@H](C)[NH2+]Cc2cn3ccccc3n2)cc1[N+](=O)[O-] ZINC000175054301 432393039 /nfs/dbraw/zinc/39/30/39/432393039.db2.gz LCYWNVKAVJJKQZ-ZDUSSCGKSA-N 1 1 310.357 3.402 20 5 DGBDMO C[C@@H]1CCCC[C@H]1[N@@H+](C)CC(=O)N(C)c1ccc([N+](=O)[O-])cc1 ZINC000192630593 432394861 /nfs/dbraw/zinc/39/48/61/432394861.db2.gz PPTHVWQXEVFNQJ-CZUORRHYSA-N 1 1 319.405 3.068 20 5 DGBDMO Cc1c(NC(=O)[C@@H](C)[N@H+]2CCC[C@@H](C)CC2)cccc1[N+](=O)[O-] ZINC000249835013 432359965 /nfs/dbraw/zinc/35/99/65/432359965.db2.gz RJXPHHVLGGLPTE-TZMCWYRMSA-N 1 1 319.405 3.352 20 5 DGBDMO CC[C@H]1C[N@@H+](Cc2ccc(-c3ccccc3[N+](=O)[O-])o2)C[C@@H]1O ZINC000271275981 432366516 /nfs/dbraw/zinc/36/65/16/432366516.db2.gz KUWVLCCKIDJMMN-LRDDRELGSA-N 1 1 316.357 3.058 20 5 DGBDMO O=[N+]([O-])c1cccc([C@@H](O)C[N@H+]2CC[C@H](c3ccccc3)C2)c1 ZINC000153819429 432447475 /nfs/dbraw/zinc/44/74/75/432447475.db2.gz WFRXJXUIGRLSET-WMZOPIPTSA-N 1 1 312.369 3.118 20 5 DGBDMO C[C@@]1(C[NH3+])CCN(Cc2ccc(-c3ccc([N+](=O)[O-])cc3)o2)C1 ZINC000261787450 432451230 /nfs/dbraw/zinc/45/12/30/432451230.db2.gz UOMLJDWWVATJCR-KRWDZBQOSA-N 1 1 315.373 3.026 20 5 DGBDMO Cc1cc([N+](=O)[O-])ccc1NC(=O)C[N@H+](CC1CCC1)C(C)C ZINC000193201476 432457014 /nfs/dbraw/zinc/45/70/14/432457014.db2.gz BTYRKNJJZREERK-UHFFFAOYSA-N 1 1 319.405 3.352 20 5 DGBDMO Cc1ccc([N+](=O)[O-])cc1NC(=O)C[N@H+](CC1CCC1)C(C)C ZINC000193204827 432457798 /nfs/dbraw/zinc/45/77/98/432457798.db2.gz LFRGPOFVYHCQQF-UHFFFAOYSA-N 1 1 319.405 3.352 20 5 DGBDMO Cc1[nH]ncc1C[NH2+][C@H]1CCC[C@H]1Cc1ccccc1[N+](=O)[O-] ZINC000271526999 432415216 /nfs/dbraw/zinc/41/52/16/432415216.db2.gz REVBVLVRRZYFIT-BBRMVZONSA-N 1 1 314.389 3.127 20 5 DGBDMO COc1ccc([N+](=O)[O-])cc1C[NH2+][C@@H]1CCCc2occc21 ZINC000192826350 432419150 /nfs/dbraw/zinc/41/91/50/432419150.db2.gz GEQOJRZKXYJUKH-CQSZACIVSA-N 1 1 302.330 3.364 20 5 DGBDMO CC[C@H](NC1CC[NH+](C2CC2)CC1)c1cccc([N+](=O)[O-])c1 ZINC000192838313 432421086 /nfs/dbraw/zinc/42/10/86/432421086.db2.gz NZKLHJHNNYKJJO-KRWDZBQOSA-N 1 1 303.406 3.262 20 5 DGBDMO O=[N+]([O-])c1ccn(CC[N@H+]2CCC[C@H]2c2ccc(Cl)cc2)n1 ZINC000176204327 432500145 /nfs/dbraw/zinc/50/01/45/432500145.db2.gz OABQWOMMHOQEGX-AWEZNQCLSA-N 1 1 320.780 3.282 20 5 DGBDMO C[C@@H](C1CC1)[N@@H+](CCn1ccc([N+](=O)[O-])n1)Cc1ccccc1 ZINC000176207436 432501192 /nfs/dbraw/zinc/50/11/92/432501192.db2.gz NBFMNFJUWDNVME-AWEZNQCLSA-N 1 1 314.389 3.092 20 5 DGBDMO C[N@H+](CCc1cccc2ccccc21)CCn1ccc([N+](=O)[O-])n1 ZINC000176224657 432502211 /nfs/dbraw/zinc/50/22/11/432502211.db2.gz IFWTVVVTAMNPPB-UHFFFAOYSA-N 1 1 324.384 3.119 20 5 DGBDMO CC(C)[C@@H](c1ccccc1)[N@@H+](C)CCn1ccc([N+](=O)[O-])n1 ZINC000176242790 432502974 /nfs/dbraw/zinc/50/29/74/432502974.db2.gz YXJRCNXULBKWGO-INIZCTEOSA-N 1 1 302.378 3.120 20 5 DGBDMO CCCCC[NH2+][C@H](c1nccn1C)c1ccc([N+](=O)[O-])cc1 ZINC000272484959 432511008 /nfs/dbraw/zinc/51/10/08/432511008.db2.gz CTHNZODNGZIEKE-HNNXBMFYSA-N 1 1 302.378 3.198 20 5 DGBDMO C[N@@H+](Cc1ccccc1[N+](=O)[O-])C[C@H]1OCCc2ccccc21 ZINC000263656949 432562770 /nfs/dbraw/zinc/56/27/70/432562770.db2.gz CXHBXWPZTWMLEK-GOSISDBHSA-N 1 1 312.369 3.341 20 5 DGBDMO C[N@H+](Cc1ccccc1[N+](=O)[O-])C[C@H]1OCCc2ccccc21 ZINC000263656949 432562776 /nfs/dbraw/zinc/56/27/76/432562776.db2.gz CXHBXWPZTWMLEK-GOSISDBHSA-N 1 1 312.369 3.341 20 5 DGBDMO CC[C@@H]1[C@H](C)CC[N@H+]1Cc1nc(-c2cccc([N+](=O)[O-])c2)no1 ZINC000185658716 432520453 /nfs/dbraw/zinc/52/04/53/432520453.db2.gz CXZXDJKHNTUXBJ-BXUZGUMPSA-N 1 1 316.361 3.265 20 5 DGBDMO CC(C)CC[NH2+][C@@H](c1nccn1C)c1ccc([N+](=O)[O-])cc1 ZINC000272562615 432525197 /nfs/dbraw/zinc/52/51/97/432525197.db2.gz UFCSKWUCCDDRIX-OAHLLOKOSA-N 1 1 302.378 3.053 20 5 DGBDMO C[C@@H](O)[C@@H]1CC[N@@H+](Cc2ccc(-c3ccccc3[N+](=O)[O-])o2)C1 ZINC000272578020 432528253 /nfs/dbraw/zinc/52/82/53/432528253.db2.gz XMEDHKOGQUWENR-CHWSQXEVSA-N 1 1 316.357 3.058 20 5 DGBDMO NC(=O)[C@H]1CC[N@@H+](Cc2c3ccccc3cc3ccccc32)C1 ZINC000157149083 432615153 /nfs/dbraw/zinc/61/51/53/432615153.db2.gz AWEPAFIKPPZAIS-INIZCTEOSA-N 1 1 304.393 3.300 20 5 DGBDMO Cc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@H+](C)CC(C)(C)C ZINC000263784469 432576178 /nfs/dbraw/zinc/57/61/78/432576178.db2.gz MFEWORHGEGTCSM-UHFFFAOYSA-N 1 1 307.394 3.210 20 5 DGBDMO CC[C@H]1C[N@H+](Cc2nc3cc([N+](=O)[O-])ccc3o2)CCS1 ZINC000177164851 432592905 /nfs/dbraw/zinc/59/29/05/432592905.db2.gz WBASHPPLBXUVES-NSHDSACASA-N 1 1 307.375 3.063 20 5 DGBDMO CC[C@H]1C[N@@H+](Cc2nc3cc([N+](=O)[O-])ccc3o2)CCS1 ZINC000177164851 432592911 /nfs/dbraw/zinc/59/29/11/432592911.db2.gz WBASHPPLBXUVES-NSHDSACASA-N 1 1 307.375 3.063 20 5 DGBDMO C[C@@H]([N@@H+](C)Cc1nnc(-c2ccc([N+](=O)[O-])cc2)o1)C1(C)CC1 ZINC000177228319 432601113 /nfs/dbraw/zinc/60/11/13/432601113.db2.gz JRBQTFJTIYMBCO-LLVKDONJSA-N 1 1 316.361 3.265 20 5 DGBDMO O=[N+]([O-])c1ccccc1OCC[N@@H+]1CCc2cccc(F)c2C1 ZINC000157950443 432633757 /nfs/dbraw/zinc/63/37/57/432633757.db2.gz WTMQWXOSNYNZIP-UHFFFAOYSA-N 1 1 316.332 3.171 20 5 DGBDMO O=[N+]([O-])c1ccccc1OCC[N@H+]1CCc2cccc(F)c2C1 ZINC000157950443 432633761 /nfs/dbraw/zinc/63/37/61/432633761.db2.gz WTMQWXOSNYNZIP-UHFFFAOYSA-N 1 1 316.332 3.171 20 5 DGBDMO C[C@@H](c1ccccc1[N+](=O)[O-])[N@@H+]1CCC[C@@H]1c1cnn(C)c1 ZINC000266534248 432762635 /nfs/dbraw/zinc/76/26/35/432762635.db2.gz NBSMBVKSDQAWQU-SWLSCSKDSA-N 1 1 300.362 3.226 20 5 DGBDMO C[C@@H](c1ccccc1[N+](=O)[O-])[N@H+]1CCC[C@@H]1c1cnn(C)c1 ZINC000266534248 432762637 /nfs/dbraw/zinc/76/26/37/432762637.db2.gz NBSMBVKSDQAWQU-SWLSCSKDSA-N 1 1 300.362 3.226 20 5 DGBDMO CCC[N@@H+](CCO)Cc1ccc(-c2ccccc2[N+](=O)[O-])o1 ZINC000161213127 432767331 /nfs/dbraw/zinc/76/73/31/432767331.db2.gz PCKNRLFYKYLUON-UHFFFAOYSA-N 1 1 304.346 3.059 20 5 DGBDMO Cc1ccc([C@H](C)N[C@H]2CC[N@H+]3CCC[C@@H]3C2)cc1[N+](=O)[O-] ZINC000161607507 432788790 /nfs/dbraw/zinc/78/87/90/432788790.db2.gz OIBVFKBCACNMSQ-CWRNSKLLSA-N 1 1 303.406 3.181 20 5 DGBDMO CCC[N@@H+](C)C[C@H]1CCN([C@H](C)c2ccccc2[N+](=O)[O-])C1 ZINC000266849571 432790974 /nfs/dbraw/zinc/79/09/74/432790974.db2.gz BZSKUDPOHLGWCO-HUUCEWRRSA-N 1 1 305.422 3.320 20 5 DGBDMO CCC[N@@H+](C)C[C@@H]1CCN([C@@H](C)c2ccccc2[N+](=O)[O-])C1 ZINC000266849568 432791450 /nfs/dbraw/zinc/79/14/50/432791450.db2.gz BZSKUDPOHLGWCO-GJZGRUSLSA-N 1 1 305.422 3.320 20 5 DGBDMO COc1ccccc1C[N@H+](C)Cc1ccc([N+](=O)[O-])c(F)c1 ZINC000276301921 432793848 /nfs/dbraw/zinc/79/38/48/432793848.db2.gz KBIOJSFPCLDLPG-UHFFFAOYSA-N 1 1 304.321 3.375 20 5 DGBDMO COc1ccccc1C[N@@H+](C)Cc1ccc([N+](=O)[O-])c(F)c1 ZINC000276301921 432793853 /nfs/dbraw/zinc/79/38/53/432793853.db2.gz KBIOJSFPCLDLPG-UHFFFAOYSA-N 1 1 304.321 3.375 20 5 DGBDMO O=[N+]([O-])c1cccc(C[N@@H+]2CCC[C@H]2C[C@H](O)c2ccco2)c1 ZINC000268268894 432860396 /nfs/dbraw/zinc/86/03/96/432860396.db2.gz MNVJLUNIBFLBFD-HOCLYGCPSA-N 1 1 316.357 3.276 20 5 DGBDMO C[C@H](c1cccc([N+](=O)[O-])c1)[N@@H+](C)CCNC(=O)OC(C)(C)C ZINC000268311316 432863691 /nfs/dbraw/zinc/86/36/91/432863691.db2.gz BRXSYECKUZCUNM-GFCCVEGCSA-N 1 1 323.393 3.112 20 5 DGBDMO C[C@H]1CC[N@@H+](Cc2nc(-c3ccc([N+](=O)[O-])cc3)no2)C[C@H]1C ZINC000245897132 432867714 /nfs/dbraw/zinc/86/77/14/432867714.db2.gz KNWATDMQGDDCBK-NWDGAFQWSA-N 1 1 316.361 3.123 20 5 DGBDMO Cc1c(NC(=O)[C@H](C)[N@H+]2CC[C@H](C)[C@@H](C)C2)cccc1[N+](=O)[O-] ZINC000245951130 432872562 /nfs/dbraw/zinc/87/25/62/432872562.db2.gz SNVWNOXXMLRSQW-OBJOEFQTSA-N 1 1 319.405 3.208 20 5 DGBDMO O=[N+]([O-])c1cccc(C[N@@H+](CCc2cscn2)C2CC2)c1 ZINC000296894623 432936636 /nfs/dbraw/zinc/93/66/36/432936636.db2.gz YJHHOYAPWDNNPU-UHFFFAOYSA-N 1 1 303.387 3.258 20 5 DGBDMO Cc1noc([C@@H]2CC[N@H+]([C@@H](C)c3cc([N+](=O)[O-])ccc3C)C2)n1 ZINC000332080974 432971185 /nfs/dbraw/zinc/97/11/85/432971185.db2.gz KXUUVWLDBUNEOB-WCQYABFASA-N 1 1 316.361 3.145 20 5 DGBDMO C[N@H+](Cc1cc([N+](=O)[O-])cc2c1OCOC2)C[C@@H]1CC=CCC1 ZINC000332137621 432977677 /nfs/dbraw/zinc/97/76/77/432977677.db2.gz JSIVWNJNVZIQDH-CYBMUJFWSA-N 1 1 318.373 3.249 20 5 DGBDMO C[C@@H](c1ccccc1[N+](=O)[O-])[N@@H+]1CC[C@H](n2cc(Cl)cn2)C1 ZINC000290077428 432987893 /nfs/dbraw/zinc/98/78/93/432987893.db2.gz YTLBCDUKJSCGHX-AAEUAGOBSA-N 1 1 320.780 3.453 20 5 DGBDMO C[C@@H](c1ccccc1[N+](=O)[O-])[N@H+]1CC[C@H](n2cc(Cl)cn2)C1 ZINC000290077428 432987897 /nfs/dbraw/zinc/98/78/97/432987897.db2.gz YTLBCDUKJSCGHX-AAEUAGOBSA-N 1 1 320.780 3.453 20 5 DGBDMO C[C@H]1C[C@@H](Nc2nccc3cc([N+](=O)[O-])ccc32)C[N@H+]1C1CC1 ZINC000297498702 432997163 /nfs/dbraw/zinc/99/71/63/432997163.db2.gz MYGUZHWLXXTTAQ-WCQYABFASA-N 1 1 312.373 3.180 20 5 DGBDMO O=[N+]([O-])c1cccc(C[N@@H+](Cc2c[nH]c3nccnc23)C2CC2)c1 ZINC000290430625 433050801 /nfs/dbraw/zinc/05/08/01/433050801.db2.gz MYTKAMSZEPWNRM-UHFFFAOYSA-N 1 1 323.356 3.031 20 5 DGBDMO Cc1ccc(C)c([C@H](C)[N@@H+](C)CCn2cc([N+](=O)[O-])cn2)c1 ZINC000350121562 433085051 /nfs/dbraw/zinc/08/50/51/433085051.db2.gz HWRYZCHBNZAENL-AWEZNQCLSA-N 1 1 302.378 3.101 20 5 DGBDMO Cc1ccc(C[NH2+][C@@H]2COc3ccc(F)cc32)cc1[N+](=O)[O-] ZINC000341565486 433137222 /nfs/dbraw/zinc/13/72/22/433137222.db2.gz MMVABVUKMJQSCE-CQSZACIVSA-N 1 1 302.305 3.266 20 5 DGBDMO CSc1cc(C[NH2+]Cc2ccc([N+](=O)[O-])cc2F)ccn1 ZINC000350343171 433139667 /nfs/dbraw/zinc/13/96/67/433139667.db2.gz RQIPVGFRVUXHBJ-UHFFFAOYSA-N 1 1 307.350 3.141 20 5 DGBDMO C[N@H+](Cc1ccc(Cl)cc1[N+](=O)[O-])[C@H](CO)c1ccccc1 ZINC000341569483 433141060 /nfs/dbraw/zinc/14/10/60/433141060.db2.gz VSRNFCFXANZVKC-MRXNPFEDSA-N 1 1 320.776 3.414 20 5 DGBDMO C[N@@H+](Cc1ccc(Cl)cc1[N+](=O)[O-])[C@H](CO)c1ccccc1 ZINC000341569483 433141070 /nfs/dbraw/zinc/14/10/70/433141070.db2.gz VSRNFCFXANZVKC-MRXNPFEDSA-N 1 1 320.776 3.414 20 5 DGBDMO C[N@H+](Cc1ccc(Cl)cc1[N+](=O)[O-])[C@@H](CO)c1ccccc1 ZINC000341569460 433142135 /nfs/dbraw/zinc/14/21/35/433142135.db2.gz VSRNFCFXANZVKC-INIZCTEOSA-N 1 1 320.776 3.414 20 5 DGBDMO C[N@@H+](Cc1ccc(Cl)cc1[N+](=O)[O-])[C@@H](CO)c1ccccc1 ZINC000341569460 433142141 /nfs/dbraw/zinc/14/21/41/433142141.db2.gz VSRNFCFXANZVKC-INIZCTEOSA-N 1 1 320.776 3.414 20 5 DGBDMO C[N@@H+]1CCC[C@@H]1CNCc1cc(Cl)cc(Cl)c1[N+](=O)[O-] ZINC000290820229 433177804 /nfs/dbraw/zinc/17/78/04/433177804.db2.gz GXKIUDVTSKCOTJ-LLVKDONJSA-N 1 1 318.204 3.085 20 5 DGBDMO C[N@H+]1CCC[C@@H]1CNCc1cc(Cl)cc(Cl)c1[N+](=O)[O-] ZINC000290820229 433177807 /nfs/dbraw/zinc/17/78/07/433177807.db2.gz GXKIUDVTSKCOTJ-LLVKDONJSA-N 1 1 318.204 3.085 20 5 DGBDMO C[C@H](NCC[N@@H+]1CCCC(C)(C)C1)c1cccc([N+](=O)[O-])c1 ZINC000447572605 433231363 /nfs/dbraw/zinc/23/13/63/433231363.db2.gz OTJCSUZKIUHMLH-AWEZNQCLSA-N 1 1 305.422 3.367 20 5 DGBDMO C[C@H](NCC[N@H+]1CCCC(C)(C)C1)c1cccc([N+](=O)[O-])c1 ZINC000447572605 433231373 /nfs/dbraw/zinc/23/13/73/433231373.db2.gz OTJCSUZKIUHMLH-AWEZNQCLSA-N 1 1 305.422 3.367 20 5 DGBDMO CC(C)([NH2+]Cc1cc(O)cc(F)c1)c1ccccc1[N+](=O)[O-] ZINC000291710683 433321062 /nfs/dbraw/zinc/32/10/62/433321062.db2.gz LGWSZDKOTGXKPT-UHFFFAOYSA-N 1 1 304.321 3.464 20 5 DGBDMO CCSc1ccc([C@@H](C)[NH2+]Cc2c([N+](=O)[O-])ncn2C)cc1 ZINC000341806414 433290085 /nfs/dbraw/zinc/29/00/85/433290085.db2.gz PKEWCJTWLRVTQG-LLVKDONJSA-N 1 1 320.418 3.291 20 5 DGBDMO C[C@@H]1CC[C@H](C)[N@H+]1Cc1nc(-c2ccc([N+](=O)[O-])s2)no1 ZINC000350867795 433310608 /nfs/dbraw/zinc/31/06/08/433310608.db2.gz JETCYSZSWFZHSC-DTORHVGOSA-N 1 1 308.363 3.079 20 5 DGBDMO C[C@@H]1CC[C@H](C)[N@@H+]1Cc1nc(-c2ccc([N+](=O)[O-])s2)no1 ZINC000350867795 433310611 /nfs/dbraw/zinc/31/06/11/433310611.db2.gz JETCYSZSWFZHSC-DTORHVGOSA-N 1 1 308.363 3.079 20 5 DGBDMO CC(C)C[N@@H+](Cc1ccc(C(N)=O)cc1[N+](=O)[O-])C1CCCC1 ZINC000299378895 433363123 /nfs/dbraw/zinc/36/31/23/433363123.db2.gz GTUVUSXNKLYPHU-UHFFFAOYSA-N 1 1 319.405 3.094 20 5 DGBDMO C[N@@H+](Cc1cc([O-])ccc1[N+](=O)[O-])CC1(c2ccccc2)CC1 ZINC000339107919 433367080 /nfs/dbraw/zinc/36/70/80/433367080.db2.gz LAQHGJTVEAUXTG-UHFFFAOYSA-N 1 1 312.369 3.464 20 5 DGBDMO C[C@H]([NH2+][C@@H](C)c1cccc([N+](=O)[O-])c1)c1cc2n(n1)CCC2 ZINC000414071859 433377381 /nfs/dbraw/zinc/37/73/81/433377381.db2.gz MAMGTMROBQLBOF-RYUDHWBXSA-N 1 1 300.362 3.149 20 5 DGBDMO CC[N@@H+](CCNC(=O)Nc1cc([N+](=O)[O-])c(C)cc1C)C(C)C ZINC000361870929 433431650 /nfs/dbraw/zinc/43/16/50/433431650.db2.gz FZVKIXCUQUYILZ-UHFFFAOYSA-N 1 1 322.409 3.063 20 5 DGBDMO C[C@@H]1CCC[N@@H+](CCNc2ccc([N+](=O)[O-])c3cnccc23)C1 ZINC000301076037 433405136 /nfs/dbraw/zinc/40/51/36/433405136.db2.gz IVNDFAOIUOFYSC-CYBMUJFWSA-N 1 1 314.389 3.287 20 5 DGBDMO CC(C)c1ccc(C[N@@H+]2CCSC[C@H]2CCO)cc1[N+](=O)[O-] ZINC000355076650 433450980 /nfs/dbraw/zinc/45/09/80/433450980.db2.gz DNWNOTBVXMBDJL-CQSZACIVSA-N 1 1 324.446 3.018 20 5 DGBDMO CC(C)c1ccc(C[N@H+]2CCSC[C@H]2CCO)cc1[N+](=O)[O-] ZINC000355076650 433450987 /nfs/dbraw/zinc/45/09/87/433450987.db2.gz DNWNOTBVXMBDJL-CQSZACIVSA-N 1 1 324.446 3.018 20 5 DGBDMO C[N@@H+](Cc1nnc(-c2ccc([N+](=O)[O-])cc2)o1)CC(C)(C)C ZINC000339256679 433470463 /nfs/dbraw/zinc/47/04/63/433470463.db2.gz LLJGVTFKZFPERZ-UHFFFAOYSA-N 1 1 304.350 3.123 20 5 DGBDMO CCOc1cccc(C[NH2+]C(C)(C)c2ccc([N+](=O)[O-])cc2)n1 ZINC000159705940 292798901 /nfs/dbraw/zinc/79/89/01/292798901.db2.gz QMQKOCRWFSNOSH-UHFFFAOYSA-N 1 1 315.373 3.413 20 5 DGBDMO CCO[C@@H]1C[C@H]([N@@H+](C)Cc2cccc([N+](=O)[O-])c2)C12CCC2 ZINC000355175239 433510112 /nfs/dbraw/zinc/51/01/12/433510112.db2.gz LUPBYRPUMCMURF-JKSUJKDBSA-N 1 1 304.390 3.374 20 5 DGBDMO CCO[C@@H]1C[C@@H]([N@@H+](C)Cc2cccc([N+](=O)[O-])c2)C12CCC2 ZINC000355175236 433511903 /nfs/dbraw/zinc/51/19/03/433511903.db2.gz LUPBYRPUMCMURF-HZPDHXFCSA-N 1 1 304.390 3.374 20 5 DGBDMO CC[C@]1(CO)CCC[N@H+](Cc2c(Cl)cccc2[N+](=O)[O-])C1 ZINC000426461594 433499889 /nfs/dbraw/zinc/49/98/89/433499889.db2.gz QADHJWMAGHYCQI-HNNXBMFYSA-N 1 1 312.797 3.233 20 5 DGBDMO CC[C@]1(CO)CCC[N@@H+](Cc2c(Cl)cccc2[N+](=O)[O-])C1 ZINC000426461594 433499893 /nfs/dbraw/zinc/49/98/93/433499893.db2.gz QADHJWMAGHYCQI-HNNXBMFYSA-N 1 1 312.797 3.233 20 5 DGBDMO COCC[N@@H+](CCc1ccc([N+](=O)[O-])cc1)[C@H]1CC[C@@H](C)C1 ZINC000362153914 433550385 /nfs/dbraw/zinc/55/03/85/433550385.db2.gz YVKORNWWPBKISL-PBHICJAKSA-N 1 1 306.406 3.274 20 5 DGBDMO Cc1ncsc1CC[N@H+](C)CCc1cccc([N+](=O)[O-])c1 ZINC000282359208 433578849 /nfs/dbraw/zinc/57/88/49/433578849.db2.gz DELLOVMHCWISEL-UHFFFAOYSA-N 1 1 305.403 3.077 20 5 DGBDMO C[C@@H]1C[C@@H](Nc2ncccc2[N+](=O)[O-])C[N@H+]1Cc1ccccc1 ZINC000301611965 433639588 /nfs/dbraw/zinc/63/95/88/433639588.db2.gz FFAWGUWYPNFWIU-UKRRQHHQSA-N 1 1 312.373 3.065 20 5 DGBDMO C[C@@H]1CC[C@H]([N@H+](CCO)Cc2c(Cl)cccc2[N+](=O)[O-])C1 ZINC000351628136 433625867 /nfs/dbraw/zinc/62/58/67/433625867.db2.gz LMYWGKCGZJWMLQ-NEPJUHHUSA-N 1 1 312.797 3.231 20 5 DGBDMO C[C@@H]1CC[C@H]([N@@H+](CCO)Cc2c(Cl)cccc2[N+](=O)[O-])C1 ZINC000351628136 433625870 /nfs/dbraw/zinc/62/58/70/433625870.db2.gz LMYWGKCGZJWMLQ-NEPJUHHUSA-N 1 1 312.797 3.231 20 5 DGBDMO Cc1[nH+]ccn1-c1ccc(CNc2cc(C)ccc2[N+](=O)[O-])cn1 ZINC000301588702 433626119 /nfs/dbraw/zinc/62/61/19/433626119.db2.gz XVBHNYWRRNIBSB-UHFFFAOYSA-N 1 1 323.356 3.404 20 5 DGBDMO Cc1cc(NCCCC[N@H+]2C[C@@H](C)O[C@@H](C)C2)ccc1[N+](=O)[O-] ZINC000301697469 433681151 /nfs/dbraw/zinc/68/11/51/433681151.db2.gz BXTZAPSEZABBBH-GASCZTMLSA-N 1 1 321.421 3.205 20 5 DGBDMO CC(C)[C@@H]1[N@@H+](Cc2ccc([N+](=O)[O-])cc2)CC12CCOCC2 ZINC000414525351 433688935 /nfs/dbraw/zinc/68/89/35/433688935.db2.gz JKNWMLUQXPVYHT-INIZCTEOSA-N 1 1 304.390 3.232 20 5 DGBDMO C[N@H+]1CCC[C@H]2CN(c3ccc(Cl)cc3[N+](=O)[O-])CC[C@H]21 ZINC000301720426 433691634 /nfs/dbraw/zinc/69/16/34/433691634.db2.gz PVGRJBSMJFNPFU-WCQYABFASA-N 1 1 309.797 3.169 20 5 DGBDMO CCc1ncc(C[N@@H+](C)CCc2cccc([N+](=O)[O-])c2)s1 ZINC000283061469 433651925 /nfs/dbraw/zinc/65/19/25/433651925.db2.gz PPDDMNAGOJTNDU-UHFFFAOYSA-N 1 1 305.403 3.288 20 5 DGBDMO C[C@@H]1CCC[N@@H+](CCC(=O)Nc2ccccc2[N+](=O)[O-])[C@H]1C ZINC000283246822 433697610 /nfs/dbraw/zinc/69/76/10/433697610.db2.gz JRWMPNLJHRAKTM-OLZOCXBDSA-N 1 1 305.378 3.044 20 5 DGBDMO C[C@H](CNc1ncc(Cl)cc1[N+](=O)[O-])[N@H+]1CCC[C@H](C)C1 ZINC000301731535 433699877 /nfs/dbraw/zinc/69/98/77/433699877.db2.gz DWWHQXRVIKJLAG-WDEREUQCSA-N 1 1 312.801 3.176 20 5 DGBDMO Cc1cc(N2CC[C@@H]3[C@H](CCC[N@H+]3C3CC3)C2)ccc1[N+](=O)[O-] ZINC000301749454 433707712 /nfs/dbraw/zinc/70/77/12/433707712.db2.gz AABGDJANBDIUHR-RDTXWAMCSA-N 1 1 315.417 3.356 20 5 DGBDMO COc1cc(C[N@H+]2CC[C@H](CC3CC3)C2)c([N+](=O)[O-])cc1F ZINC000339672239 433721613 /nfs/dbraw/zinc/72/16/13/433721613.db2.gz BNMGFLHEVCVJMG-GFCCVEGCSA-N 1 1 308.353 3.365 20 5 DGBDMO CN(CC[C@@H]1CCCC[N@H+]1C)c1c(F)cc([N+](=O)[O-])cc1F ZINC000301782140 433719548 /nfs/dbraw/zinc/71/95/48/433719548.db2.gz JWOQHDZJWWTHJE-NSHDSACASA-N 1 1 313.348 3.184 20 5 DGBDMO Cc1ccc(N2CC[C@@H]3[C@@H](CCC[N@H+]3C3CC3)C2)c([N+](=O)[O-])c1 ZINC000301800308 433729328 /nfs/dbraw/zinc/72/93/28/433729328.db2.gz VNDDHGGOTHIBAH-GOEBONIOSA-N 1 1 315.417 3.356 20 5 DGBDMO O=[N+]([O-])c1cc(C[N@@H+]2CC3(CCOCC3)[C@H]2C2CC2)cs1 ZINC000293639409 433809769 /nfs/dbraw/zinc/80/97/69/433809769.db2.gz MCBOSYCQWJKHQO-CQSZACIVSA-N 1 1 308.403 3.047 20 5 DGBDMO O=[N+]([O-])c1cc(C[N@H+]2CC3(CCOCC3)[C@H]2C2CC2)cs1 ZINC000293639409 433809777 /nfs/dbraw/zinc/80/97/77/433809777.db2.gz MCBOSYCQWJKHQO-CQSZACIVSA-N 1 1 308.403 3.047 20 5 DGBDMO C[C@@H]1C[C@@H]1[N@H+]1CCN(c2c(Cl)cccc2[N+](=O)[O-])C[C@@H](C)C1 ZINC000432146585 433819542 /nfs/dbraw/zinc/81/95/42/433819542.db2.gz CAUKXDACXNLABM-ZOWXZIJZSA-N 1 1 323.824 3.415 20 5 DGBDMO Cc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@H+](C)[C@@H](C)C1CCC1 ZINC000357025563 433830010 /nfs/dbraw/zinc/83/00/10/433830010.db2.gz ANFGTZDUTDSMFP-ZDUSSCGKSA-N 1 1 319.405 3.352 20 5 DGBDMO COc1cc([N+](=O)[O-])ccc1C[N@@H+]1CCC(F)(F)[C@@H](C)C1 ZINC000351996722 433847461 /nfs/dbraw/zinc/84/74/61/433847461.db2.gz PMTFNKHCTVPRCO-JTQLQIEISA-N 1 1 300.305 3.081 20 5 DGBDMO COc1cc([N+](=O)[O-])ccc1C[N@H+]1CCC(F)(F)[C@@H](C)C1 ZINC000351996722 433847467 /nfs/dbraw/zinc/84/74/67/433847467.db2.gz PMTFNKHCTVPRCO-JTQLQIEISA-N 1 1 300.305 3.081 20 5 DGBDMO O=[N+]([O-])c1ccccc1C[N@H+]1CCCN2c3ccccc3C[C@@H]2C1 ZINC000352017152 433861717 /nfs/dbraw/zinc/86/17/17/433861717.db2.gz DDOQAEJEWHIXHF-QGZVFWFLSA-N 1 1 323.396 3.232 20 5 DGBDMO C[C@H](CCc1ccccc1[N+](=O)[O-])[NH2+]CC1(N)CCCCC1 ZINC000414846470 433880000 /nfs/dbraw/zinc/88/00/00/433880000.db2.gz SNHTZRSZVRYAST-CQSZACIVSA-N 1 1 305.422 3.167 20 5 DGBDMO C[C@H](CNc1c2c(ccc1[N+](=O)[O-])NCC2)[N@H+]1CCC[C@H](C)C1 ZINC000302855900 433886660 /nfs/dbraw/zinc/88/66/60/433886660.db2.gz RXCNUQLWUBJTHU-QWHCGFSZSA-N 1 1 318.421 3.095 20 5 DGBDMO C[C@@H]([NH2+]Cc1nc(C2CC2)cs1)c1ccc(N)c([N+](=O)[O-])c1 ZINC000285436910 433946348 /nfs/dbraw/zinc/94/63/48/433946348.db2.gz YVDXTKDBTWCQKL-SECBINFHSA-N 1 1 318.402 3.362 20 5 DGBDMO Cc1ncsc1CC[N@H+](C)CCc1ccccc1[N+](=O)[O-] ZINC000285399849 433936937 /nfs/dbraw/zinc/93/69/37/433936937.db2.gz TXJXMFUFRQBTKT-UHFFFAOYSA-N 1 1 305.403 3.077 20 5 DGBDMO C[N@@H+](CCNc1nccc2c1cccc2[N+](=O)[O-])C1CCCC1 ZINC000450309904 434098302 /nfs/dbraw/zinc/09/83/02/434098302.db2.gz BCTIYLJTRXQISB-UHFFFAOYSA-N 1 1 314.389 3.429 20 5 DGBDMO O=[N+]([O-])c1cccc2c1ccnc2N[C@H]1CC[N@H+]2CCC[C@H]2C1 ZINC000450254001 434055353 /nfs/dbraw/zinc/05/53/53/434055353.db2.gz RMDUSONUUKVQGO-STQMWFEESA-N 1 1 312.373 3.182 20 5 DGBDMO C[C@@H](O)C[C@H]1CCCCC[N@H+]1Cc1ccc([N+](=O)[O-])c(F)c1 ZINC000285942780 434114477 /nfs/dbraw/zinc/11/44/77/434114477.db2.gz MFWWCMHKQFTXSB-TZMCWYRMSA-N 1 1 310.369 3.249 20 5 DGBDMO Cc1ncc(C[N@@H+](Cc2ccc([N+](=O)[O-])cc2)C(C)C)cn1 ZINC000507173147 294286304 /nfs/dbraw/zinc/28/63/04/294286304.db2.gz KSFLQJZOTPFWKC-UHFFFAOYSA-N 1 1 300.362 3.104 20 5 DGBDMO Cc1ncc(C[N@H+](Cc2ccc([N+](=O)[O-])cc2)C(C)C)cn1 ZINC000507173147 294286306 /nfs/dbraw/zinc/28/63/06/294286306.db2.gz KSFLQJZOTPFWKC-UHFFFAOYSA-N 1 1 300.362 3.104 20 5 DGBDMO C[N@H+](Cc1c(F)cc([N+](=O)[O-])cc1F)C1Cc2ccccc2C1 ZINC000509264753 294345135 /nfs/dbraw/zinc/34/51/35/294345135.db2.gz RERWBZQWGXPGDL-UHFFFAOYSA-N 1 1 318.323 3.472 20 5 DGBDMO C[N@@H+](Cc1c(F)cc([N+](=O)[O-])cc1F)C1Cc2ccccc2C1 ZINC000509264753 294345136 /nfs/dbraw/zinc/34/51/36/294345136.db2.gz RERWBZQWGXPGDL-UHFFFAOYSA-N 1 1 318.323 3.472 20 5 DGBDMO COc1ccc(C[N@H+]2CCCCC[C@@H]2C[C@@H](C)O)cc1[N+](=O)[O-] ZINC000286035942 434143528 /nfs/dbraw/zinc/14/35/28/434143528.db2.gz QOKBLTZSFDGCKY-UKRRQHHQSA-N 1 1 322.405 3.119 20 5 DGBDMO Cc1c([C@H](C)N[C@@H]2CC[N@H+]3CCC[C@@H]3C2)cccc1[N+](=O)[O-] ZINC000363791581 434148132 /nfs/dbraw/zinc/14/81/32/434148132.db2.gz JWIRHWMUKMFAEY-RRFJBIMHSA-N 1 1 303.406 3.181 20 5 DGBDMO CCC[N@@H+](CC)C[C@H](C)Nc1ncnc2cccc([N+](=O)[O-])c21 ZINC000357774943 434174149 /nfs/dbraw/zinc/17/41/49/434174149.db2.gz NJBAEOAFSNZORQ-LBPRGKRZSA-N 1 1 317.393 3.070 20 5 DGBDMO O=[N+]([O-])c1cccc(Cl)c1C[N@@H+]1CC[C@]2(O)CCCC[C@H]2C1 ZINC000316227676 434185414 /nfs/dbraw/zinc/18/54/14/434185414.db2.gz BKZBZMWZEABCPK-BLLLJJGKSA-N 1 1 324.808 3.375 20 5 DGBDMO O=[N+]([O-])c1cccc(Cl)c1C[N@H+]1CC[C@]2(O)CCCC[C@H]2C1 ZINC000316227676 434185424 /nfs/dbraw/zinc/18/54/24/434185424.db2.gz BKZBZMWZEABCPK-BLLLJJGKSA-N 1 1 324.808 3.375 20 5 DGBDMO C[N@@H+](Cc1cccc([N+](=O)[O-])c1)[C@@H](CO)c1ccc(Cl)cc1 ZINC000295098610 434200151 /nfs/dbraw/zinc/20/01/51/434200151.db2.gz SKBKCDRNPPFZPS-INIZCTEOSA-N 1 1 320.776 3.414 20 5 DGBDMO COc1cc(C[N@@H+]2CCSCC[C@@H]2C)c([N+](=O)[O-])cc1F ZINC000286255755 434207311 /nfs/dbraw/zinc/20/73/11/434207311.db2.gz SMHCNXPNANVWEE-JTQLQIEISA-N 1 1 314.382 3.070 20 5 DGBDMO COc1cc(C[N@H+]2CCSCC[C@@H]2C)c([N+](=O)[O-])cc1F ZINC000286255755 434207324 /nfs/dbraw/zinc/20/73/24/434207324.db2.gz SMHCNXPNANVWEE-JTQLQIEISA-N 1 1 314.382 3.070 20 5 DGBDMO CO[C@H]1CC[N@H+](Cc2ccc(Cl)c([N+](=O)[O-])c2)CC1(C)C ZINC000295127792 434218860 /nfs/dbraw/zinc/21/88/60/434218860.db2.gz YCIYJZWKABCKAH-AWEZNQCLSA-N 1 1 312.797 3.495 20 5 DGBDMO CO[C@H]1CC[N@@H+](Cc2ccc(Cl)c([N+](=O)[O-])c2)CC1(C)C ZINC000295127792 434218870 /nfs/dbraw/zinc/21/88/70/434218870.db2.gz YCIYJZWKABCKAH-AWEZNQCLSA-N 1 1 312.797 3.495 20 5 DGBDMO CC(C)[N@@H+](C)C[C@@H](C)Nc1ccc([N+](=O)[O-])c2cccnc12 ZINC000320569574 434242809 /nfs/dbraw/zinc/24/28/09/434242809.db2.gz MAERVJGAZLDIPR-GFCCVEGCSA-N 1 1 302.378 3.284 20 5 DGBDMO CC(C)[N@@H+](C)C[C@@H](C)Nc1nccc2c1cccc2[N+](=O)[O-] ZINC000450533950 434250118 /nfs/dbraw/zinc/25/01/18/434250118.db2.gz ZAWINHHTQWOJKW-GFCCVEGCSA-N 1 1 302.378 3.284 20 5 DGBDMO NC1(C[NH2+][C@H](Cc2ccccc2[N+](=O)[O-])C2CC2)CCCCC1 ZINC000423185730 434273715 /nfs/dbraw/zinc/27/37/15/434273715.db2.gz VZMGAINTQYWZOP-MRXNPFEDSA-N 1 1 317.433 3.167 20 5 DGBDMO C[C@H](O)C[C@@H]1CCCCC[N@H+]1CCc1ccc([N+](=O)[O-])cc1 ZINC000319298140 434221808 /nfs/dbraw/zinc/22/18/08/434221808.db2.gz OJEZETPVQQVSSA-YOEHRIQHSA-N 1 1 306.406 3.153 20 5 DGBDMO O=[N+]([O-])c1ccc(CC[N@@H+]2CCc3c(F)ccc(F)c3C2)cc1 ZINC000437519266 434279069 /nfs/dbraw/zinc/27/90/69/434279069.db2.gz ORLXYVNGJXNVJI-UHFFFAOYSA-N 1 1 318.323 3.474 20 5 DGBDMO O=[N+]([O-])c1ccc(CC[N@H+]2CCc3c(F)ccc(F)c3C2)cc1 ZINC000437519266 434279078 /nfs/dbraw/zinc/27/90/78/434279078.db2.gz ORLXYVNGJXNVJI-UHFFFAOYSA-N 1 1 318.323 3.474 20 5 DGBDMO CCC[C@H](N[C@H](C)[C@@H]1CCC[NH2+]C1)c1cccc([N+](=O)[O-])c1 ZINC000423206389 434284806 /nfs/dbraw/zinc/28/48/06/434284806.db2.gz BYAURTLOWPIYOI-UNEWFSDZSA-N 1 1 305.422 3.414 20 5 DGBDMO O=[N+]([O-])c1ccccc1OCC[N@H+]1CCS[C@@H]2CCCC[C@@H]21 ZINC000437544411 434287908 /nfs/dbraw/zinc/28/79/08/434287908.db2.gz ZLHNGSUKHBJZOF-GOEBONIOSA-N 1 1 322.430 3.334 20 5 DGBDMO Cn1ccnc1[C@H]([NH2+][C@H]1CC=CCC1)c1cccc([N+](=O)[O-])c1 ZINC000353642163 434299649 /nfs/dbraw/zinc/29/96/49/434299649.db2.gz GQUNHTAWHVPLPY-GOEBONIOSA-N 1 1 312.373 3.116 20 5 DGBDMO C[N@H+]1CCCC[C@H]1CCn1cc(-c2cccc([N+](=O)[O-])c2)cn1 ZINC000340710869 434316993 /nfs/dbraw/zinc/31/69/93/434316993.db2.gz ZUJGNGCSLLCTET-INIZCTEOSA-N 1 1 314.389 3.333 20 5 DGBDMO O=[N+]([O-])c1cccc2c(NC[C@@H]3CC[N@H+](C4CC4)C3)ccnc21 ZINC000391238676 434379741 /nfs/dbraw/zinc/37/97/41/434379741.db2.gz XUCUQUBFDWQDPZ-LBPRGKRZSA-N 1 1 312.373 3.039 20 5 DGBDMO Cc1[nH+]ccn1CCCn1ncc2cc([N+](=O)[O-])cc(Cl)c21 ZINC000340852757 434390824 /nfs/dbraw/zinc/39/08/24/434390824.db2.gz GSVPFOPNXYHUHC-UHFFFAOYSA-N 1 1 319.752 3.193 20 5 DGBDMO O=[N+]([O-])c1ccc(OCC[N@H+]2CC[C@H]2Cc2ccccc2)cc1 ZINC000437846549 434354249 /nfs/dbraw/zinc/35/42/49/434354249.db2.gz LLVOTOBIQUUUDQ-KRWDZBQOSA-N 1 1 312.369 3.291 20 5 DGBDMO CC[N@@H+]1CC[C@H](CN[C@H]2CCCCc3ccc([N+](=O)[O-])cc32)C1 ZINC000417331966 434358669 /nfs/dbraw/zinc/35/86/69/434358669.db2.gz WSFYCZAKVHKGCX-KDOFPFPSSA-N 1 1 317.433 3.294 20 5 DGBDMO CC[N@H+]1CC[C@H](CN[C@H]2CCCCc3ccc([N+](=O)[O-])cc32)C1 ZINC000417331966 434358675 /nfs/dbraw/zinc/35/86/75/434358675.db2.gz WSFYCZAKVHKGCX-KDOFPFPSSA-N 1 1 317.433 3.294 20 5 DGBDMO Cc1ccc(C[N@@H+]2CCCCC[C@@H]2C[C@@H](C)O)cc1[N+](=O)[O-] ZINC000348550213 434395466 /nfs/dbraw/zinc/39/54/66/434395466.db2.gz SNIPWOQZONHTEB-GDBMZVCRSA-N 1 1 306.406 3.419 20 5 DGBDMO O=[N+]([O-])c1ccc([C@H]2CCCN(c3[nH+]cnc4[nH]ccc43)C2)cc1 ZINC000450772260 434399776 /nfs/dbraw/zinc/39/97/76/434399776.db2.gz ZSTPFEMACMASKY-ZDUSSCGKSA-N 1 1 323.356 3.250 20 5 DGBDMO CCC1(CC)CC[N@H+](CC(=O)Nc2c(C)cccc2[N+](=O)[O-])C1 ZINC000438492354 434494351 /nfs/dbraw/zinc/49/43/51/434494351.db2.gz JGFJEKINSVMGFM-UHFFFAOYSA-N 1 1 319.405 3.354 20 5 DGBDMO CCC1(CC)CC[N@@H+](CC(=O)Nc2c(C)cccc2[N+](=O)[O-])C1 ZINC000438492354 434494362 /nfs/dbraw/zinc/49/43/62/434494362.db2.gz JGFJEKINSVMGFM-UHFFFAOYSA-N 1 1 319.405 3.354 20 5 DGBDMO CO[C@@H]1CC[N@@H+](Cc2ccc(-c3ccccc3[N+](=O)[O-])o2)C1 ZINC000353901685 434515037 /nfs/dbraw/zinc/51/50/37/434515037.db2.gz RXAKLECOQOMMPM-GFCCVEGCSA-N 1 1 302.330 3.076 20 5 DGBDMO CC[N@H+]1C[C@H](C)N(Cc2ccc([N+](=O)[O-])cc2Cl)C[C@H]1C ZINC000360211524 434548982 /nfs/dbraw/zinc/54/89/82/434548982.db2.gz DTJRJLFOPHIWPC-NEPJUHHUSA-N 1 1 311.813 3.163 20 5 DGBDMO CC1(C)C[N@H+](Cc2c(Cl)cccc2[N+](=O)[O-])[C@@H]2COC[C@@H]21 ZINC000452116050 434587401 /nfs/dbraw/zinc/58/74/01/434587401.db2.gz LNJODNNBARIXTP-SMDDNHRTSA-N 1 1 310.781 3.105 20 5 DGBDMO CC1(C)C[N@@H+](Cc2c(Cl)cccc2[N+](=O)[O-])[C@@H]2COC[C@@H]21 ZINC000452116050 434587411 /nfs/dbraw/zinc/58/74/11/434587411.db2.gz LNJODNNBARIXTP-SMDDNHRTSA-N 1 1 310.781 3.105 20 5 DGBDMO CC(C)[N@H+]1CC[C@H](N(C)Cc2ccc(Cl)cc2[N+](=O)[O-])C1 ZINC000452127317 434586081 /nfs/dbraw/zinc/58/60/81/434586081.db2.gz ZUEDMAXGTUPJTM-AWEZNQCLSA-N 1 1 311.813 3.163 20 5 DGBDMO CC[C@]1(C)CC[N@@H+](Cc2cc(OC)c(OC)cc2[N+](=O)[O-])C1 ZINC000354072823 434602596 /nfs/dbraw/zinc/60/25/96/434602596.db2.gz KZBXZSWELGASTB-MRXNPFEDSA-N 1 1 308.378 3.234 20 5 DGBDMO C[C@@H]1[N@@H+](Cc2c(F)cccc2[N+](=O)[O-])CCC12CCOCC2 ZINC000349242187 434647676 /nfs/dbraw/zinc/64/76/76/434647676.db2.gz OHXADEMARIAQCV-LBPRGKRZSA-N 1 1 308.353 3.125 20 5 DGBDMO Cn1cnc([N+](=O)[O-])c1C[N@@H+](C)[C@@H]1CCC[C@@H]1c1ccccc1 ZINC000459681458 434662090 /nfs/dbraw/zinc/66/20/90/434662090.db2.gz XDLOYPMBSIIQLP-HUUCEWRRSA-N 1 1 314.389 3.096 20 5 DGBDMO C[C@@H]1CC[N@@H+](Cc2ccc(-c3cccc([N+](=O)[O-])c3)o2)C[C@@H]1O ZINC000349350887 434686231 /nfs/dbraw/zinc/68/62/31/434686231.db2.gz PMJHCONZVCHQML-WBMJQRKESA-N 1 1 316.357 3.058 20 5 DGBDMO O=[N+]([O-])c1ccc(C[N@@H+](CCOCC2CCC2)C2CC2)cc1 ZINC000419228054 434753665 /nfs/dbraw/zinc/75/36/65/434753665.db2.gz LVDQYQZWBIOBJT-UHFFFAOYSA-N 1 1 304.390 3.376 20 5 DGBDMO Cn1cnc([N+](=O)[O-])c1C[N@H+]1CCCCC[C@H]1c1ccccc1 ZINC000360852650 434712963 /nfs/dbraw/zinc/71/29/63/434712963.db2.gz VFOWTBKHHCGKMO-HNNXBMFYSA-N 1 1 314.389 3.446 20 5 DGBDMO O=[N+]([O-])c1cccc(C[N@@H+](CCc2cncs2)C2CC2)c1 ZINC000411328515 434762970 /nfs/dbraw/zinc/76/29/70/434762970.db2.gz UEDYHZPVYWLYJS-UHFFFAOYSA-N 1 1 303.387 3.258 20 5 DGBDMO C[C@@H]1[C@@H](C)[C@H](C)C[N@H+]1Cc1nc(-c2ccc([N+](=O)[O-])cc2)no1 ZINC000419379831 434780903 /nfs/dbraw/zinc/78/09/03/434780903.db2.gz XBBBCJXGCMTITR-GRYCIOLGSA-N 1 1 316.361 3.121 20 5 DGBDMO C[C@@H]1C[N@@H+](Cc2nc(-c3ccc([N+](=O)[O-])cc3)no2)[C@@H](C)[C@H]1C ZINC000419379834 434782116 /nfs/dbraw/zinc/78/21/16/434782116.db2.gz XBBBCJXGCMTITR-WOPDTQHZSA-N 1 1 316.361 3.121 20 5 DGBDMO O=C(CC[N@@H+](CC1CC1)C1CCC1)Nc1ccc([N+](=O)[O-])cc1 ZINC000411660303 434815931 /nfs/dbraw/zinc/81/59/31/434815931.db2.gz JGOLOKAAWVIXME-UHFFFAOYSA-N 1 1 317.389 3.188 20 5 DGBDMO Cc1nn(C)cc1[C@@H]1CCC[N@H+]1CCc1ccc([N+](=O)[O-])cc1 ZINC000372737041 434850662 /nfs/dbraw/zinc/85/06/62/434850662.db2.gz DDFLGGNMQSJLBN-KRWDZBQOSA-N 1 1 314.389 3.016 20 5 DGBDMO C[C@H]1CC(C)(C)C[N@H+]1CCC(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000412041355 434859727 /nfs/dbraw/zinc/85/97/27/434859727.db2.gz LFFLDWAICDMJQH-LBPRGKRZSA-N 1 1 305.378 3.044 20 5 DGBDMO CCC(=O)c1ccc(NC[C@H]2CC[N@H+](C3CC3)C2)c([N+](=O)[O-])c1 ZINC000573387151 434895727 /nfs/dbraw/zinc/89/57/27/434895727.db2.gz MNKVGYNFSLWGPD-GFCCVEGCSA-N 1 1 317.389 3.084 20 5 DGBDMO C[N@@H+](CCOc1ccc([N+](=O)[O-])cc1)C1CCC(F)(F)CC1 ZINC000553991190 434909448 /nfs/dbraw/zinc/90/94/48/434909448.db2.gz FQZUSZPCTZUPAH-UHFFFAOYSA-N 1 1 314.332 3.483 20 5 DGBDMO Cc1cccc(C[N@@H+](C)CCOc2cccc([N+](=O)[O-])c2)c1 ZINC000521184508 434873362 /nfs/dbraw/zinc/87/33/62/434873362.db2.gz ZANIKEVDVCAMLV-UHFFFAOYSA-N 1 1 300.358 3.414 20 5 DGBDMO CC(C)[N@@H+](C)CC1CCN(Cc2ccc([N+](=O)[O-])cc2F)CC1 ZINC000554444808 434927963 /nfs/dbraw/zinc/92/79/63/434927963.db2.gz FXHGXEOEGOZMRX-UHFFFAOYSA-N 1 1 323.412 3.286 20 5 DGBDMO CCOc1cc(C[N@H+]2CCC[C@H]2CSC)ccc1[N+](=O)[O-] ZINC000492658642 435031050 /nfs/dbraw/zinc/03/10/50/435031050.db2.gz VNAWOKNGXDNWLW-ZDUSSCGKSA-N 1 1 310.419 3.321 20 5 DGBDMO CCC[C@@H]1[C@H](C)CCC[N@H+]1CC(=O)Nc1ccccc1[N+](=O)[O-] ZINC000464740278 434994995 /nfs/dbraw/zinc/99/49/95/434994995.db2.gz QATHSECNPFJSMA-UKRRQHHQSA-N 1 1 319.405 3.434 20 5 DGBDMO Cc1ccc(CN[C@@H](C)C[NH+]2CCC(C)CC2)cc1[N+](=O)[O-] ZINC000574705053 434997487 /nfs/dbraw/zinc/99/74/87/434997487.db2.gz UMCZTDOXEWJKTR-HNNXBMFYSA-N 1 1 305.422 3.113 20 5 DGBDMO CCC[N@@H+]1CCC[C@H]1CN[C@@H](C)c1ccc(C)c([N+](=O)[O-])c1 ZINC000556921290 435037971 /nfs/dbraw/zinc/03/79/71/435037971.db2.gz NCOKTYQOZDIDQD-HOCLYGCPSA-N 1 1 305.422 3.428 20 5 DGBDMO CCC[N@H+]1CCC[C@H]1CN[C@@H](C)c1ccc(C)c([N+](=O)[O-])c1 ZINC000556921290 435037974 /nfs/dbraw/zinc/03/79/74/435037974.db2.gz NCOKTYQOZDIDQD-HOCLYGCPSA-N 1 1 305.422 3.428 20 5 DGBDMO Cc1ccc([N+](=O)[O-])cc1[C@H](C)NCC[NH+]1CCCCCC1 ZINC000532198626 435147165 /nfs/dbraw/zinc/14/71/65/435147165.db2.gz HDLDKXXKUSXTLY-HNNXBMFYSA-N 1 1 305.422 3.430 20 5 DGBDMO C[C@@H]([N@@H+](C)CCC(=O)Nc1ccccc1[N+](=O)[O-])C(C)(C)C ZINC000558573428 435098203 /nfs/dbraw/zinc/09/82/03/435098203.db2.gz IYWAUUPTNKYOEM-GFCCVEGCSA-N 1 1 307.394 3.290 20 5 DGBDMO CCCC[N@@H+](C)C[C@@H](C)Nc1ccc([N+](=O)[O-])c(C(C)=O)c1 ZINC000558599426 435099345 /nfs/dbraw/zinc/09/93/45/435099345.db2.gz OVABJHJLMLZNQD-GFCCVEGCSA-N 1 1 307.394 3.330 20 5 DGBDMO C/C(=C/c1cccc([N+](=O)[O-])c1)C[N@H+]1CC[C@@H]2OCC[C@@H]2C1 ZINC000578653160 435100158 /nfs/dbraw/zinc/10/01/58/435100158.db2.gz PIWXXEOYMYJDSV-OUOSUHLLSA-N 1 1 302.374 3.109 20 5 DGBDMO CC[N@H+]1CCC[C@H]1CN(C)Cc1c(Cl)cccc1[N+](=O)[O-] ZINC000493103306 435108138 /nfs/dbraw/zinc/10/81/38/435108138.db2.gz FNHMEOVCWXBUKR-LBPRGKRZSA-N 1 1 311.813 3.164 20 5 DGBDMO CCc1cnc(C[NH2+][C@H]2CCc3c2cccc3[N+](=O)[O-])s1 ZINC000579852529 435188561 /nfs/dbraw/zinc/18/85/61/435188561.db2.gz PASZVUFCSDSDIZ-ZDUSSCGKSA-N 1 1 303.387 3.391 20 5 DGBDMO CCC(CC)[N@@H+](CC(=O)N(C)c1ccc([N+](=O)[O-])cc1)C1CC1 ZINC000532946678 435200541 /nfs/dbraw/zinc/20/05/41/435200541.db2.gz WCEWAKUHUKGEPY-UHFFFAOYSA-N 1 1 319.405 3.211 20 5 DGBDMO CC[C@@H](C)[C@H]1CCCC[N@H+]1CC(=O)Nc1ccccc1[N+](=O)[O-] ZINC000532968033 435203619 /nfs/dbraw/zinc/20/36/19/435203619.db2.gz OUNIBGHGEJCHGG-UKRRQHHQSA-N 1 1 319.405 3.434 20 5 DGBDMO Cc1cc(N2CCC[N@H+](C(C)(C)C)CC2)c(F)cc1[N+](=O)[O-] ZINC000583905594 435254752 /nfs/dbraw/zinc/25/47/52/435254752.db2.gz YFKYJNBHVRJAML-UHFFFAOYSA-N 1 1 309.385 3.353 20 5 DGBDMO Cc1ccccc1[C@H](C(C)C)[N@@H+](C)CCn1ccc([N+](=O)[O-])n1 ZINC000478033663 435289543 /nfs/dbraw/zinc/28/95/43/435289543.db2.gz NMXDXPKMRNNQQT-KRWDZBQOSA-N 1 1 316.405 3.429 20 5 DGBDMO COc1ccc(C[N@@H+](C)CCc2ccccc2[N+](=O)[O-])cc1 ZINC000511135465 435316747 /nfs/dbraw/zinc/31/67/47/435316747.db2.gz GMWLMCIOFUOEHU-UHFFFAOYSA-N 1 1 300.358 3.278 20 5 DGBDMO CC(C)(C)[N@H+]1CCCN(C/C=C\c2ccccc2[N+](=O)[O-])CC1 ZINC000535083935 435319115 /nfs/dbraw/zinc/31/91/15/435319115.db2.gz OJHHWSRKOUYWLK-TWGQIWQCSA-N 1 1 317.433 3.414 20 5 DGBDMO O=[N+]([O-])c1ccc2oc(C[N@H+]3CC[C@H](c4cccnc4)C3)nc2c1 ZINC000567798015 435357281 /nfs/dbraw/zinc/35/72/81/435357281.db2.gz IJCULMZAIHQECQ-ZDUSSCGKSA-N 1 1 324.340 3.121 20 5 DGBDMO COC(C)(C)C[N@@H+](C)Cc1cc([N+](=O)[O-])ccc1OC(F)F ZINC000535852408 435358950 /nfs/dbraw/zinc/35/89/50/435358950.db2.gz XFOMFXUWPBGDPV-UHFFFAOYSA-N 1 1 318.320 3.053 20 5 DGBDMO Cc1cc(N2CCC[N@H+](C3CCCC3)CC2)ccc1[N+](=O)[O-] ZINC000514176600 435414767 /nfs/dbraw/zinc/41/47/67/435414767.db2.gz RVLFKMLDVJMIFK-UHFFFAOYSA-N 1 1 303.406 3.358 20 5 DGBDMO C[C@@H]1C[N@@H+](C/C=C/c2ccccc2[N+](=O)[O-])CC2(CCC2)O1 ZINC000567906019 435368470 /nfs/dbraw/zinc/36/84/70/435368470.db2.gz ATJSIXUKKURRAQ-BTKRWWFXSA-N 1 1 302.374 3.251 20 5 DGBDMO CCCC[C@H](C)[N@@H+](C)CC(=O)Nc1ccc([N+](=O)[O-])cc1OC ZINC000568450305 435437562 /nfs/dbraw/zinc/43/75/62/435437562.db2.gz SEPRMAWJBFZALI-LBPRGKRZSA-N 1 1 323.393 3.052 20 5 DGBDMO C[N@H+]1CCC[C@H](C[NH2+][C@@H]2CCCCc3ccc([N+](=O)[O-])cc32)C1 ZINC000516023789 435510545 /nfs/dbraw/zinc/51/05/45/435510545.db2.gz AHCRXIFDEIKCGJ-RDTXWAMCSA-N 1 1 317.433 3.294 20 5 DGBDMO CN1CCC[C@H](C[NH2+][C@@H]2CCCCc3ccc([N+](=O)[O-])cc32)C1 ZINC000516023789 435510549 /nfs/dbraw/zinc/51/05/49/435510549.db2.gz AHCRXIFDEIKCGJ-RDTXWAMCSA-N 1 1 317.433 3.294 20 5 DGBDMO COCC[N@@H+](CCc1ccc([N+](=O)[O-])cc1)C[C@H]1CC=CCC1 ZINC000485129392 435560957 /nfs/dbraw/zinc/56/09/57/435560957.db2.gz QTALYWLNWDYLGH-KRWDZBQOSA-N 1 1 318.417 3.442 20 5 DGBDMO O=[N+]([O-])c1ccccc1/C=C/C[N@@H+]1CCOC[C@@H]1C1CCC1 ZINC000516927871 435562561 /nfs/dbraw/zinc/56/25/61/435562561.db2.gz PJGCBKWXEBIASD-IOMDMTNGSA-N 1 1 302.374 3.109 20 5 DGBDMO O=[N+]([O-])c1ccccc1/C=C/C[N@H+]1CCOC[C@@H]1C1CCC1 ZINC000516927871 435562564 /nfs/dbraw/zinc/56/25/64/435562564.db2.gz PJGCBKWXEBIASD-IOMDMTNGSA-N 1 1 302.374 3.109 20 5 DGBDMO C[C@@H]1CC[N@@H+](CCOc2ccccc2[N+](=O)[O-])CC12CCC2 ZINC000540043842 435583834 /nfs/dbraw/zinc/58/38/34/435583834.db2.gz IGYZZZYJTPWTOY-CQSZACIVSA-N 1 1 304.390 3.486 20 5 DGBDMO CCCC[N@@H+](C)C[C@H](C)NC(=O)Nc1ccc([N+](=O)[O-])cc1C ZINC000570124444 435590740 /nfs/dbraw/zinc/59/07/40/435590740.db2.gz ITCSQWDKFMRKFJ-ZDUSSCGKSA-N 1 1 322.409 3.145 20 5 DGBDMO CCn1cc(C[N@H+](C)[C@@H](C)c2cc([N+](=O)[O-])ccc2C)cn1 ZINC000540906318 435624470 /nfs/dbraw/zinc/62/44/70/435624470.db2.gz PDWQXWMAXVRKGS-ZDUSSCGKSA-N 1 1 302.378 3.313 20 5 DGBDMO CCn1cc(C[N@@H+](C)[C@@H](C)c2cc([N+](=O)[O-])ccc2C)cn1 ZINC000540906318 435624474 /nfs/dbraw/zinc/62/44/74/435624474.db2.gz PDWQXWMAXVRKGS-ZDUSSCGKSA-N 1 1 302.378 3.313 20 5 DGBDMO CCC[N@@H+](Cc1nc(-c2ccc([N+](=O)[O-])cc2)no1)C(C)C ZINC000570173973 435597421 /nfs/dbraw/zinc/59/74/21/435597421.db2.gz QEKHSLUDOHOZBY-UHFFFAOYSA-N 1 1 304.350 3.265 20 5 DGBDMO C[C@@H]1C[C@@H]1[N@H+]1CCN(c2ccc(Cl)cc2[N+](=O)[O-])C[C@@H](C)C1 ZINC000488739144 435643103 /nfs/dbraw/zinc/64/31/03/435643103.db2.gz VTXIDXYSQYDORU-JMSVASOKSA-N 1 1 323.824 3.415 20 5 DGBDMO C[C@H]1C[C@H]1[N@H+]1CCN(c2ccc(Cl)cc2[N+](=O)[O-])C[C@@H](C)C1 ZINC000488739146 435643842 /nfs/dbraw/zinc/64/38/42/435643842.db2.gz VTXIDXYSQYDORU-TYNCELHUSA-N 1 1 323.824 3.415 20 5 DGBDMO Cc1cc(N2CC[N@H+]([C@@H]3C[C@H]3C)C[C@H](C)C2)c(F)cc1[N+](=O)[O-] ZINC000488734151 435643887 /nfs/dbraw/zinc/64/38/87/435643887.db2.gz MLGOMBMFVHIERH-YWPYICTPSA-N 1 1 321.396 3.209 20 5 DGBDMO C[N@@H+](CCOc1cccc(F)c1)CCc1cccc([N+](=O)[O-])c1 ZINC000549156903 435745359 /nfs/dbraw/zinc/74/53/59/435745359.db2.gz QIGMGAPGYAHINI-UHFFFAOYSA-N 1 1 318.348 3.287 20 5 DGBDMO Cc1ccc([N+](=O)[O-])cc1[C@H](C)[N@H+]1C[C@@H](C2CC2)O[C@@H](C)C1 ZINC000548753083 435715693 /nfs/dbraw/zinc/71/56/93/435715693.db2.gz FCWIGASMMDVJLX-DCGLDWPTSA-N 1 1 304.390 3.464 20 5 DGBDMO Cc1ccc([N+](=O)[O-])cc1[C@H](C)[N@@H+]1C[C@@H](C2CC2)O[C@@H](C)C1 ZINC000548753083 435715697 /nfs/dbraw/zinc/71/56/97/435715697.db2.gz FCWIGASMMDVJLX-DCGLDWPTSA-N 1 1 304.390 3.464 20 5 DGBDMO CC[N@@H+](CCNc1ccc([N+](=O)[O-])cc1)CCC(F)(F)F ZINC000491599871 435777040 /nfs/dbraw/zinc/77/70/40/435777040.db2.gz WFKSLVSWMVGXGF-UHFFFAOYSA-N 1 1 305.300 3.281 20 5 DGBDMO Cc1ccc([N+](=O)[O-])cc1[C@H](C)[NH2+][C@H](c1nccn1C)C1CC1 ZINC000552086808 435881877 /nfs/dbraw/zinc/88/18/77/435881877.db2.gz QYSWCXRYWAHTAC-LRDDRELGSA-N 1 1 314.389 3.439 20 5 DGBDMO C/C(=C\c1cccc([N+](=O)[O-])c1)C[N@H+]1CCc2nc(C)ncc2C1 ZINC000530341833 313359793 /nfs/dbraw/zinc/35/97/93/313359793.db2.gz LHQDYDSFIIXAFK-MDWZMJQESA-N 1 1 324.384 3.155 20 5 DGBDMO C[N@H+](C/C=C/c1ccccc1[N+](=O)[O-])CCc1ccccc1O ZINC000541551680 314022348 /nfs/dbraw/zinc/02/23/48/314022348.db2.gz PZMRRDGEKYORJZ-RMKNXTFCSA-N 1 1 312.369 3.488 20 5 DGBDMO CCCCC[N@H+](CCO)Cc1ccc([N+](=O)[O-])cc1Cl ZINC000543855759 314161475 /nfs/dbraw/zinc/16/14/75/314161475.db2.gz OOMSEXWYPIQSHU-UHFFFAOYSA-N 1 1 300.786 3.233 20 5 DGBDMO CCCCC[N@@H+](CCO)Cc1ccc([N+](=O)[O-])cc1Cl ZINC000543855759 314161477 /nfs/dbraw/zinc/16/14/77/314161477.db2.gz OOMSEXWYPIQSHU-UHFFFAOYSA-N 1 1 300.786 3.233 20 5 DGBDMO CCCC[N@H+](C)C[C@@H](C)NC/C=C\c1ccccc1[N+](=O)[O-] ZINC000563484308 315119361 /nfs/dbraw/zinc/11/93/61/315119361.db2.gz ZHHOFGFJWVGSPZ-WKTRQSJXSA-N 1 1 305.422 3.318 20 5 DGBDMO CCCC[N@@H+](C)C[C@@H](C)NC/C=C\c1ccccc1[N+](=O)[O-] ZINC000563484308 315119362 /nfs/dbraw/zinc/11/93/62/315119362.db2.gz ZHHOFGFJWVGSPZ-WKTRQSJXSA-N 1 1 305.422 3.318 20 5 DGBDMO C/C(=C\c1cccc([N+](=O)[O-])c1)CN(C)CC[N@@H+](C)C1CC1 ZINC000567148380 315399858 /nfs/dbraw/zinc/39/98/58/315399858.db2.gz OIYXQTLGMMNCEH-SDNWHVSQSA-N 1 1 303.406 3.024 20 5 DGBDMO C/C(=C\c1cccc([N+](=O)[O-])c1)C[N@H+](C)CCN(C)C1CC1 ZINC000567148380 315399865 /nfs/dbraw/zinc/39/98/65/315399865.db2.gz OIYXQTLGMMNCEH-SDNWHVSQSA-N 1 1 303.406 3.024 20 5 DGBDMO CCc1noc(CC)c1C[NH2+][C@H]1CCc2c1cccc2[N+](=O)[O-] ZINC000575881201 316072480 /nfs/dbraw/zinc/07/24/80/316072480.db2.gz JQSYULKRMXUEOZ-HNNXBMFYSA-N 1 1 315.373 3.485 20 5 DGBDMO Cc1ccc([N+](=O)[O-])cc1[C@H](C)NC1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC000575992501 316083780 /nfs/dbraw/zinc/08/37/80/316083780.db2.gz TXSHCXNQVLHEOR-AVOUXACISA-N 1 1 303.406 3.179 20 5 DGBDMO Cc1ccc([N+](=O)[O-])cc1[C@H](C)[NH2+]C1C[C@H]2CC[C@@H](C1)N2C ZINC000575992501 316083788 /nfs/dbraw/zinc/08/37/88/316083788.db2.gz TXSHCXNQVLHEOR-AVOUXACISA-N 1 1 303.406 3.179 20 5 DGBDMO Cc1ccc(CNC[C@H]2CCCC[N@@H+]2C2CC2)cc1[N+](=O)[O-] ZINC000577599046 316251556 /nfs/dbraw/zinc/25/15/56/316251556.db2.gz NMXOCLNHENGQHB-MRXNPFEDSA-N 1 1 303.406 3.010 20 5 DGBDMO Cc1ccc(CNC[C@H]2CCCC[N@H+]2C2CC2)cc1[N+](=O)[O-] ZINC000577599046 316251559 /nfs/dbraw/zinc/25/15/59/316251559.db2.gz NMXOCLNHENGQHB-MRXNPFEDSA-N 1 1 303.406 3.010 20 5 DGBDMO CCC[N@H+]1CC[C@@H](CNc2cccc(OCC)c2[N+](=O)[O-])C1 ZINC000184077597 323354156 /nfs/dbraw/zinc/35/41/56/323354156.db2.gz QSBMRYBNXGLIRP-ZDUSSCGKSA-N 1 1 307.394 3.137 20 5 DGBDMO CCC[N@@H+](CC)C[C@@H](C)Nc1cc(OC)c([N+](=O)[O-])cc1F ZINC000580984499 324060574 /nfs/dbraw/zinc/06/05/74/324060574.db2.gz BMRDDQHIPKCMPF-LLVKDONJSA-N 1 1 313.373 3.275 20 5 DGBDMO CCC[N@@H+]1CCC[C@H]1CN[C@@H](C)c1cc([N+](=O)[O-])ccc1C ZINC000581147900 324080934 /nfs/dbraw/zinc/08/09/34/324080934.db2.gz VFIBGJYGQIDDDN-HOCLYGCPSA-N 1 1 305.422 3.428 20 5 DGBDMO CCC[N@H+]1CCC[C@H]1CN[C@@H](C)c1cc([N+](=O)[O-])ccc1C ZINC000581147900 324080937 /nfs/dbraw/zinc/08/09/37/324080937.db2.gz VFIBGJYGQIDDDN-HOCLYGCPSA-N 1 1 305.422 3.428 20 5 DGBDMO C[C@@H](Cc1ccsc1)[N@@H+]1CCOc2ccc([N+](=O)[O-])cc2C1 ZINC000583115868 324314285 /nfs/dbraw/zinc/31/42/85/324314285.db2.gz DUVNOQHOGHJJDL-LBPRGKRZSA-N 1 1 318.398 3.482 20 5 DGBDMO C[C@@H](Cc1ccsc1)[N@H+]1CCOc2ccc([N+](=O)[O-])cc2C1 ZINC000583115868 324314286 /nfs/dbraw/zinc/31/42/86/324314286.db2.gz DUVNOQHOGHJJDL-LBPRGKRZSA-N 1 1 318.398 3.482 20 5 DGBDMO CC1(C)C[N@H+](C/C=C/c2ccccc2[N+](=O)[O-])[C@@H]1[C@@H]1CCCO1 ZINC000583294386 324336290 /nfs/dbraw/zinc/33/62/90/324336290.db2.gz GFXDPCBFVNCFAK-QBUOGWAXSA-N 1 1 316.401 3.497 20 5 DGBDMO CC1(C)C[N@@H+](C/C=C/c2ccccc2[N+](=O)[O-])[C@@H]1[C@@H]1CCCO1 ZINC000583294386 324336293 /nfs/dbraw/zinc/33/62/93/324336293.db2.gz GFXDPCBFVNCFAK-QBUOGWAXSA-N 1 1 316.401 3.497 20 5 DGBDMO C[C@H](CN[C@H]1CCc2c1cccc2[N+](=O)[O-])[N@@H+]1CCCC[C@H]1C ZINC000584479703 337348530 /nfs/dbraw/zinc/34/85/30/337348530.db2.gz CYTRLIJYCOBHGU-CPUCHLNUSA-N 1 1 317.433 3.435 20 5 DGBDMO C[C@H](CN[C@H]1CCc2c1cccc2[N+](=O)[O-])[N@H+]1CCCC[C@H]1C ZINC000584479703 337348531 /nfs/dbraw/zinc/34/85/31/337348531.db2.gz CYTRLIJYCOBHGU-CPUCHLNUSA-N 1 1 317.433 3.435 20 5 DGBDMO C[C@@H](O)[C@@H]1C[C@H](C)CC[N@H+]1C/C=C/c1ccccc1[N+](=O)[O-] ZINC000443787781 533823202 /nfs/dbraw/zinc/82/32/02/533823202.db2.gz ILDPVBSSZSBGTK-XCECCGRFSA-N 1 1 304.390 3.089 20 5 DGBDMO Cc1c(NC(=O)CC[N@H+](C)[C@H]2CC[C@H](C)C2)cccc1[N+](=O)[O-] ZINC000429567709 533899859 /nfs/dbraw/zinc/89/98/59/533899859.db2.gz MQKDRNHZTBUPKN-JSGCOSHPSA-N 1 1 319.405 3.352 20 5 DGBDMO C[C@@H]1CC[C@H]([N@@H+](C)Cc2nc(-c3ccc([N+](=O)[O-])cc3)no2)C1 ZINC000429566445 534247145 /nfs/dbraw/zinc/24/71/45/534247145.db2.gz KBARANWAAIHXLO-RISCZKNCSA-N 1 1 316.361 3.265 20 5 DGBDMO Cc1ccc([N+](=O)[O-])c(NC[C@@H]2CCC[N@H+](CC(C)C)C2)n1 ZINC000178777364 534327295 /nfs/dbraw/zinc/32/72/95/534327295.db2.gz VVPGIBBGLJLXMQ-AWEZNQCLSA-N 1 1 306.410 3.078 20 5 DGBDMO Cc1cccc2nc(C[NH2+][C@@H](C)c3ccc([N+](=O)[O-])cc3)cn21 ZINC000160333248 524987281 /nfs/dbraw/zinc/98/72/81/524987281.db2.gz FNNNCIGDRNGVDY-ZDUSSCGKSA-N 1 1 310.357 3.402 20 5 DGBDMO O=[N+]([O-])c1ccc(-c2ccc(C[N@@H+]3CCC[C@H]3CCO)o2)cc1 ZINC000428489130 534881443 /nfs/dbraw/zinc/88/14/43/534881443.db2.gz UTQSBHQFLXXAOU-AWEZNQCLSA-N 1 1 316.357 3.202 20 5 DGBDMO C/C(=C\c1cccc([N+](=O)[O-])c1)CN1CC[C@@]2(CC[N@H+](C)C2)C1 ZINC000430126945 527528140 /nfs/dbraw/zinc/52/81/40/527528140.db2.gz VWNDTKKSSNRLOH-SPQRHKFCSA-N 1 1 315.417 3.026 20 5 DGBDMO CC[N@@H+](C)C[C@H]1CCN(c2c(C)cc([N+](=O)[O-])cc2Cl)C1 ZINC000302622186 527840606 /nfs/dbraw/zinc/84/06/06/527840606.db2.gz ACJROPLWHZPKTD-GFCCVEGCSA-N 1 1 311.813 3.335 20 5 DGBDMO CC(C)[N@@H+](C)CCCNc1ncc([N+](=O)[O-])cc1C(F)(F)F ZINC000413092727 528817783 /nfs/dbraw/zinc/81/77/83/528817783.db2.gz MXWARYKAOHWWLE-UHFFFAOYSA-N 1 1 320.315 3.151 20 5 DGBDMO CC(C)[N@@H+](C)C[C@@H](C)Nc1ccc2cc([N+](=O)[O-])ccc2n1 ZINC000320009746 528829075 /nfs/dbraw/zinc/82/90/75/528829075.db2.gz VGDNXSPMLUETTL-GFCCVEGCSA-N 1 1 302.378 3.284 20 5 DGBDMO C[C@H](C(=O)OCc1cc(F)ccc1[N+](=O)[O-])[N@@H+]1[C@H](C)CC[C@@H]1C ZINC000741016661 574948878 /nfs/dbraw/zinc/94/88/78/574948878.db2.gz IZHLZYVULRZQHW-GRYCIOLGSA-N 1 1 324.352 3.038 20 5 DGBDMO NC(CCc1ccccc1)=[NH+]OCc1c(F)cccc1[N+](=O)[O-] ZINC000728910862 575193539 /nfs/dbraw/zinc/19/35/39/575193539.db2.gz RLAZTBVCGTWSEV-UHFFFAOYSA-N 1 1 317.320 3.365 20 5 DGBDMO CC(C)C[N@@H+](CCc1ccc(F)cc1)Cn1nccc1[N+](=O)[O-] ZINC000746066247 575430131 /nfs/dbraw/zinc/43/01/31/575430131.db2.gz RIKKTXDNSBBBPA-UHFFFAOYSA-N 1 1 320.368 3.089 20 5 DGBDMO Cc1nn(C[N@@H+](C2CC2)C2CCCC2)c2ncc([N+](=O)[O-])cc12 ZINC000748451093 575587580 /nfs/dbraw/zinc/58/75/80/575587580.db2.gz XJASDZFDEKAHDZ-UHFFFAOYSA-N 1 1 315.377 3.012 20 5 DGBDMO Cc1nn(C[N@H+](C)[C@H]2CCC[C@H](C)C2)c2ncc([N+](=O)[O-])cc12 ZINC000749940941 575690741 /nfs/dbraw/zinc/69/07/41/575690741.db2.gz MFIHECVJFCVCHK-AAEUAGOBSA-N 1 1 317.393 3.116 20 5 DGBDMO O=[N+]([O-])c1ccc(C[N@@H+]2C[C@]34COC[C@@]3(C2)CCCC4)cc1F ZINC000852758829 620646269 /nfs/dbraw/zinc/64/62/69/620646269.db2.gz KCPBYEWGAGNSLR-CALCHBBNSA-N 1 1 320.364 3.127 20 5 DGBDMO CC12CC(C1)C[N@@H+]2Cc1cccc([N+](=O)[O-])c1Br ZINC000852787689 620648659 /nfs/dbraw/zinc/64/86/59/620648659.db2.gz XUGGQVLHZMWTAF-UHFFFAOYSA-N 1 1 311.179 3.342 20 5 DGBDMO CC12CC(C1)C[N@H+]2Cc1cccc([N+](=O)[O-])c1Br ZINC000852787689 620648661 /nfs/dbraw/zinc/64/86/61/620648661.db2.gz XUGGQVLHZMWTAF-UHFFFAOYSA-N 1 1 311.179 3.342 20 5 DGBDMO CCCC[N@@H+](Cn1cnc(-c2cccc([N+](=O)[O-])c2)n1)C1CC1 ZINC000917429006 620669274 /nfs/dbraw/zinc/66/92/74/620669274.db2.gz MHWPSENDDKFAHL-UHFFFAOYSA-N 1 1 315.377 3.075 20 5 DGBDMO Cc1cccc(C[N@H+](C)Cn2ncc3ccc([N+](=O)[O-])cc32)c1 ZINC000917483741 620670431 /nfs/dbraw/zinc/67/04/31/620670431.db2.gz WBRGKFOUJPENBI-UHFFFAOYSA-N 1 1 310.357 3.342 20 5 DGBDMO Cc1cccc(C[N@@H+](C)Cn2ncc3ccc([N+](=O)[O-])cc32)c1 ZINC000917483741 620670433 /nfs/dbraw/zinc/67/04/33/620670433.db2.gz WBRGKFOUJPENBI-UHFFFAOYSA-N 1 1 310.357 3.342 20 5 DGBDMO COc1cc(N2CCC[C@@H](c3[nH]cc[nH+]3)C2)c([N+](=O)[O-])cc1C ZINC000853260733 620682819 /nfs/dbraw/zinc/68/28/19/620682819.db2.gz GEOWVUMOINSRHX-GFCCVEGCSA-N 1 1 316.361 3.019 20 5 DGBDMO CC(C)[N@H+]1CCCC[C@H]1COc1ccc([N+](=O)[O-])cc1C=O ZINC000853643629 620719121 /nfs/dbraw/zinc/71/91/21/620719121.db2.gz KXALPLDBCHXEIO-HNNXBMFYSA-N 1 1 306.362 3.049 20 5 DGBDMO C[N@H+]1CC[C@@]2(CCN(c3ccc(C(F)F)cc3[N+](=O)[O-])C2)C1 ZINC000853644892 620719774 /nfs/dbraw/zinc/71/97/74/620719774.db2.gz DHIYVUXQPUBGQA-OAHLLOKOSA-N 1 1 311.332 3.064 20 5 DGBDMO CC1(C)CCC[N@@H+](CCNc2c([N+](=O)[O-])cccc2[N+](=O)[O-])C1 ZINC000804661181 617617971 /nfs/dbraw/zinc/61/79/71/617617971.db2.gz RAYYWFUTMQIDEU-UHFFFAOYSA-N 1 1 322.365 3.037 20 5 DGBDMO COc1c(O)ccc(C[N@@H+]([C@H](C)C(C)C)C2CC2)c1[N+](=O)[O-] ZINC000891438738 617798878 /nfs/dbraw/zinc/79/88/78/617798878.db2.gz SZHIZQPLPWPORY-LLVKDONJSA-N 1 1 308.378 3.318 20 5 DGBDMO C[N@@H+](Cc1ccccc1[N+](=O)[O-])C[C@H]1C[C@]1(C)Br ZINC000891620471 617853610 /nfs/dbraw/zinc/85/36/10/617853610.db2.gz APJHENUBDJAWLQ-YPMHNXCESA-N 1 1 313.195 3.200 20 5 DGBDMO C[N@H+](Cc1ccccc1[N+](=O)[O-])C[C@H]1C[C@]1(C)Br ZINC000891620471 617853616 /nfs/dbraw/zinc/85/36/16/617853616.db2.gz APJHENUBDJAWLQ-YPMHNXCESA-N 1 1 313.195 3.200 20 5 DGBDMO CC(C)(C)[C@H]([NH2+]Cn1cc([N+](=O)[O-])cn1)c1ccc(F)cc1 ZINC000919941222 620773149 /nfs/dbraw/zinc/77/31/49/620773149.db2.gz BXUOPUVDKUIZRC-CQSZACIVSA-N 1 1 306.341 3.265 20 5 DGBDMO O=[N+]([O-])c1cccc(-c2noc([C@@H]3CC[N@@H+]3C3CCCC3)n2)c1 ZINC000923774334 618056561 /nfs/dbraw/zinc/05/65/61/618056561.db2.gz VUMHKVXZCWNHGZ-AWEZNQCLSA-N 1 1 314.345 3.334 20 5 DGBDMO O=[N+]([O-])c1cccc(-c2noc([C@@H]3CC[N@H+]3C3CCCC3)n2)c1 ZINC000923774334 618056564 /nfs/dbraw/zinc/05/65/64/618056564.db2.gz VUMHKVXZCWNHGZ-AWEZNQCLSA-N 1 1 314.345 3.334 20 5 DGBDMO C[N@H+]1CCCC[C@H](CNCc2ccc(Cl)cc2[N+](=O)[O-])C1 ZINC000895587373 618803099 /nfs/dbraw/zinc/80/30/99/618803099.db2.gz QDUGEIBYKNAWGO-GFCCVEGCSA-N 1 1 311.813 3.070 20 5 DGBDMO Cn1nccc1[C@@H]1CCCN1c1cc[nH+]c2ccc([N+](=O)[O-])cc21 ZINC000895720572 618823230 /nfs/dbraw/zinc/82/32/30/618823230.db2.gz YFAGAZUIDGQLNN-KRWDZBQOSA-N 1 1 323.356 3.218 20 5 DGBDMO O=[N+]([O-])c1ccc(C[N@H+]2CC[C@@H]([C@@H]3CCCO3)C2)cc1Cl ZINC000895845734 618840695 /nfs/dbraw/zinc/84/06/95/618840695.db2.gz IDXYQPULVJVJDI-DOMZBBRYSA-N 1 1 310.781 3.249 20 5 DGBDMO O=[N+]([O-])c1ccccc1/C=C/C[N@H+]1CC[C@H]([C@H]2CCCO2)C1 ZINC000895846937 618841234 /nfs/dbraw/zinc/84/12/34/618841234.db2.gz SCSOZBHIXAKMMZ-AIESJDIKSA-N 1 1 302.374 3.109 20 5 DGBDMO CCc1onc(C)c1CNc1cc[nH+]c2ccc([N+](=O)[O-])cc12 ZINC000896663234 618943302 /nfs/dbraw/zinc/94/33/02/618943302.db2.gz HUDRDBDFVMOBBI-UHFFFAOYSA-N 1 1 312.329 3.036 20 5 DGBDMO Cn1nc(C2CC2)cc1C[NH2+]Cc1ccc(Cl)cc1[N+](=O)[O-] ZINC000897224841 619032215 /nfs/dbraw/zinc/03/22/15/619032215.db2.gz VXFWPUAESNGJAR-UHFFFAOYSA-N 1 1 320.780 3.149 20 5 DGBDMO CC[C@@H]([NH2+][C@H](C)c1cc(OC)no1)c1cccc([N+](=O)[O-])c1 ZINC000925229454 619086332 /nfs/dbraw/zinc/08/63/32/619086332.db2.gz GIAFTXCJPFTGMC-ZWNOBZJWSA-N 1 1 305.334 3.393 20 5 DGBDMO CC(C)c1ccc(C[N@H+](C)Cc2cccc(=O)[nH]2)cc1[N+](=O)[O-] ZINC000897392684 619102772 /nfs/dbraw/zinc/10/27/72/619102772.db2.gz KUNRLXOUATZORO-UHFFFAOYSA-N 1 1 315.373 3.451 20 5 DGBDMO CC(C)c1ccc(C[N@@H+](C)Cc2cccc(=O)[nH]2)cc1[N+](=O)[O-] ZINC000897392684 619102773 /nfs/dbraw/zinc/10/27/73/619102773.db2.gz KUNRLXOUATZORO-UHFFFAOYSA-N 1 1 315.373 3.451 20 5 DGBDMO COc1cc([C@@H](C)[NH2+][C@@H]2CCCc3cn[nH]c32)cc([N+](=O)[O-])c1 ZINC000903123488 619721728 /nfs/dbraw/zinc/72/17/28/619721728.db2.gz AJLHZJOATKPQPR-MEBBXXQBSA-N 1 1 316.361 3.055 20 5 DGBDMO COc1cc([C@@H](C)[NH2+][C@@H]2CCCc3c[nH]nc32)cc([N+](=O)[O-])c1 ZINC000903123488 619721730 /nfs/dbraw/zinc/72/17/30/619721730.db2.gz AJLHZJOATKPQPR-MEBBXXQBSA-N 1 1 316.361 3.055 20 5 DGBDMO COc1cc([C@H](C)NC[C@@H]2CC[N@@H+]2C(C)(C)C)cc([N+](=O)[O-])c1 ZINC000903196319 619734594 /nfs/dbraw/zinc/73/45/94/619734594.db2.gz MIXTZBCWUGQSNE-JSGCOSHPSA-N 1 1 321.421 3.127 20 5 DGBDMO COc1cc([C@H](C)NC[C@@H]2CC[N@H+]2C(C)(C)C)cc([N+](=O)[O-])c1 ZINC000903196319 619734597 /nfs/dbraw/zinc/73/45/97/619734597.db2.gz MIXTZBCWUGQSNE-JSGCOSHPSA-N 1 1 321.421 3.127 20 5 DGBDMO [NH3+]CC1([C@@H]2CCCCN2Cc2ccccc2[N+](=O)[O-])CCC1 ZINC000903815922 619814278 /nfs/dbraw/zinc/81/42/78/619814278.db2.gz VOAQGWAHLYZZOK-INIZCTEOSA-N 1 1 303.406 3.078 20 5 DGBDMO CC(C)N(Cc1ccc([N+](=O)[O-])cc1)C[C@@]1(C)CCC[NH2+]C1 ZINC000904313176 619912299 /nfs/dbraw/zinc/91/22/99/619912299.db2.gz SDTOFBYHQLVKJK-KRWDZBQOSA-N 1 1 305.422 3.195 20 5 DGBDMO O=[N+]([O-])c1ccc(C[NH2+]Cc2cccc3c2OCC3)c(Cl)c1 ZINC000922003176 620978883 /nfs/dbraw/zinc/97/88/83/620978883.db2.gz BXOLBSQOVOPJEY-UHFFFAOYSA-N 1 1 318.760 3.473 20 5 DGBDMO COC1CC(C[N@H+]2CCC[C@H](c3ccc([N+](=O)[O-])cc3)C2)C1 ZINC000859325637 621270149 /nfs/dbraw/zinc/27/01/49/621270149.db2.gz YUJRGFIZSZHUMV-GULBITTBSA-N 1 1 304.390 3.199 20 5 DGBDMO C[C@@H]1CC[C@H](C)[N@@H+]1Cc1nnc(-c2ccccc2[N+](=O)[O-])o1 ZINC000753849977 621468702 /nfs/dbraw/zinc/46/87/02/621468702.db2.gz GQOXVSZTXZWQSD-PHIMTYICSA-N 1 1 302.334 3.018 20 5 DGBDMO O=[N+]([O-])c1ccc(F)cc1C[NH2+][C@@H](CCO)c1cccs1 ZINC000754385150 621507087 /nfs/dbraw/zinc/50/70/87/621507087.db2.gz IMGGGTDWSPRMOU-LBPRGKRZSA-N 1 1 310.350 3.009 20 5 DGBDMO O=[N+]([O-])c1ccc(Cl)c(CNc2[nH+]cnc3[nH]ccc32)c1 ZINC000756974643 621676548 /nfs/dbraw/zinc/67/65/48/621676548.db2.gz SBBWGDSKCNHQJX-UHFFFAOYSA-N 1 1 303.709 3.132 20 5 DGBDMO CCC[C@@H]1CCC[N@@H+](Cn2nc(C)c3cc([N+](=O)[O-])cnc32)C1 ZINC000757611781 621728398 /nfs/dbraw/zinc/72/83/98/621728398.db2.gz VKYWVEMOKWIPRL-CYBMUJFWSA-N 1 1 317.393 3.118 20 5 DGBDMO C[N@H+]1CCCC[C@H]1CCOC(=O)/C=C\c1ccc([N+](=O)[O-])cc1 ZINC000760127115 621916746 /nfs/dbraw/zinc/91/67/46/621916746.db2.gz NDAXKIIQOZCHFP-XMELGKRDSA-N 1 1 318.373 3.026 20 5 DGBDMO O=[N+]([O-])c1ccc(N[C@H]2CC[N@@H+](CC3CC3)C2)c(C(F)F)c1 ZINC000865527013 621943916 /nfs/dbraw/zinc/94/39/16/621943916.db2.gz AUOGPKROVZJGIF-NSHDSACASA-N 1 1 311.332 3.429 20 5 DGBDMO O=[N+]([O-])c1ccc(N[C@@H]2CCc3c[nH+]cn3C2)c(C(F)F)c1 ZINC000865794782 621997065 /nfs/dbraw/zinc/99/70/65/621997065.db2.gz YDNJQSCTXIXSAB-SECBINFHSA-N 1 1 308.288 3.156 20 5 DGBDMO C[N@H+]1CCN(c2ccnc3cc([N+](=O)[O-])ccc32)CCC1(C)C ZINC000866112494 622047456 /nfs/dbraw/zinc/04/74/56/622047456.db2.gz CUALIGDFSAYRNS-UHFFFAOYSA-N 1 1 314.389 3.064 20 5 DGBDMO C[N@H+]1CCN(c2nccc3c2cccc3[N+](=O)[O-])CCC1(C)C ZINC000866113072 622047518 /nfs/dbraw/zinc/04/75/18/622047518.db2.gz RTYQNGGLOSPGOB-UHFFFAOYSA-N 1 1 314.389 3.064 20 5 DGBDMO C[N@H+]1CCN(c2ccc3ncccc3c2[N+](=O)[O-])CCC1(C)C ZINC000866112496 622047727 /nfs/dbraw/zinc/04/77/27/622047727.db2.gz CUUSFLCZHTXXBY-UHFFFAOYSA-N 1 1 314.389 3.064 20 5 DGBDMO Cc1nn(C[N@@H+]2CC3(CCC3)C[C@H]2C)c2ccc([N+](=O)[O-])cc12 ZINC000762138873 622056852 /nfs/dbraw/zinc/05/68/52/622056852.db2.gz NNUYNAFXHURRMF-GFCCVEGCSA-N 1 1 314.389 3.475 20 5 DGBDMO CC[N@H+]1CCCC[C@@H]1CNc1cccc([N+](=O)[O-])c1C(C)=O ZINC000763204576 622129725 /nfs/dbraw/zinc/12/97/25/622129725.db2.gz UUNUIWLMZMXYPS-CYBMUJFWSA-N 1 1 305.378 3.084 20 5 DGBDMO COC(=O)c1coc([C@@H](C)[NH2+]Cc2ccc(C)c([N+](=O)[O-])c2)c1 ZINC000866539933 622134903 /nfs/dbraw/zinc/13/49/03/622134903.db2.gz HZELBMPOUNMTFR-LLVKDONJSA-N 1 1 318.329 3.134 20 5 DGBDMO C[C@H](C(=O)OCC[C@H]1CCCC[N@H+]1C)c1cccc([N+](=O)[O-])c1 ZINC000763401827 622143254 /nfs/dbraw/zinc/14/32/54/622143254.db2.gz HPFKTFYTRMCFRI-DZGCQCFKSA-N 1 1 320.389 3.116 20 5 DGBDMO CCCC[N@@H+](Cn1nc(C)c2cc([N+](=O)[O-])ccc21)C1CC1 ZINC000764882791 622229672 /nfs/dbraw/zinc/22/96/72/622229672.db2.gz NIUIEHFMWCNQTR-UHFFFAOYSA-N 1 1 302.378 3.475 20 5 DGBDMO Cc1nn(C[N@@H+](C)CC2CCCC2)c2ccc([N+](=O)[O-])cc12 ZINC000764943844 622234351 /nfs/dbraw/zinc/23/43/51/622234351.db2.gz HXMVCPFSIGKAQJ-UHFFFAOYSA-N 1 1 302.378 3.332 20 5 DGBDMO CC[N@H+]1C[C@@H](C)N(c2nc3ccc([N+](=O)[O-])cc3s2)C[C@@H]1C ZINC000765635917 622278720 /nfs/dbraw/zinc/27/87/20/622278720.db2.gz NWLGHJAXZCKPJW-WDEREUQCSA-N 1 1 320.418 3.123 20 5 DGBDMO O=[N+]([O-])c1ccc(Cl)c(CNC[C@H]2CCCC[N@H+]2C2CC2)c1 ZINC000766224090 622313310 /nfs/dbraw/zinc/31/33/10/622313310.db2.gz LKTHBROWPJAVQA-OAHLLOKOSA-N 1 1 323.824 3.355 20 5 DGBDMO O=[N+]([O-])c1ccc(Cl)c(C[NH2+]C[C@H]2CCCCN2C2CC2)c1 ZINC000766224090 622313313 /nfs/dbraw/zinc/31/33/13/622313313.db2.gz LKTHBROWPJAVQA-OAHLLOKOSA-N 1 1 323.824 3.355 20 5 DGBDMO CC[N@H+]1C[C@H](C)N(Cc2ccc(Cl)c([N+](=O)[O-])c2)C[C@H]1C ZINC000766253195 622314829 /nfs/dbraw/zinc/31/48/29/622314829.db2.gz JRWHNLRSKJTUES-NEPJUHHUSA-N 1 1 311.813 3.163 20 5 DGBDMO Cc1nn(C[N@@H+]2CC[C@H](C)[C@H](C)C2)c2ccc([N+](=O)[O-])cc12 ZINC000766375319 622325389 /nfs/dbraw/zinc/32/53/89/622325389.db2.gz UGMNKJBTEZJSMI-NWDGAFQWSA-N 1 1 302.378 3.188 20 5 DGBDMO Cc1cc(C)c(COC(=O)c2cc([N+](=O)[O-])ccc2F)c(C)[nH+]1 ZINC000869352786 622346333 /nfs/dbraw/zinc/34/63/33/622346333.db2.gz KLUXCKXNQBCWNO-UHFFFAOYSA-N 1 1 318.304 3.411 20 5 DGBDMO CC1(C)CCC[N@@H+](CCNc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])C1 ZINC000767439199 622399680 /nfs/dbraw/zinc/39/96/80/622399680.db2.gz FQWYXEOGTXUUKP-UHFFFAOYSA-N 1 1 322.365 3.037 20 5 DGBDMO O=[N+]([O-])c1ccnn1C[N@H+]1CCC[C@H]1CCCc1ccccc1 ZINC000767764225 622420490 /nfs/dbraw/zinc/42/04/90/622420490.db2.gz ROGUYNGAFSJERB-MRXNPFEDSA-N 1 1 314.389 3.236 20 5 DGBDMO O=C(C[N@@H+]1CCC2(CCC2)C1)Nc1cc(Cl)ccc1[N+](=O)[O-] ZINC000123415151 622529403 /nfs/dbraw/zinc/52/94/03/622529403.db2.gz AWSQKXGDTJTIRH-UHFFFAOYSA-N 1 1 323.780 3.063 20 5 DGBDMO O=C(C[N@H+]1CCC2(CCC2)C1)Nc1cc(Cl)ccc1[N+](=O)[O-] ZINC000123415151 622529407 /nfs/dbraw/zinc/52/94/07/622529407.db2.gz AWSQKXGDTJTIRH-UHFFFAOYSA-N 1 1 323.780 3.063 20 5 DGBDMO Cc1ccc(F)c(C[N@@H+](C)C[C@@H](O)c2cccc([N+](=O)[O-])c2)c1 ZINC000769911062 622575269 /nfs/dbraw/zinc/57/52/69/622575269.db2.gz WEKFLARZAGCGGW-QGZVFWFLSA-N 1 1 318.348 3.208 20 5 DGBDMO CCC[C@@]1(CO)CCC[N@H+]1Cc1ccc(Cl)c([N+](=O)[O-])c1 ZINC000769914077 622576201 /nfs/dbraw/zinc/57/62/01/622576201.db2.gz UVYWAOJYULWAQU-HNNXBMFYSA-N 1 1 312.797 3.375 20 5 DGBDMO CN(CC[N@@H+](C)C1CC1)c1ccc([N+](=O)[O-])cc1C(F)(F)F ZINC000770223010 622614201 /nfs/dbraw/zinc/61/42/01/622614201.db2.gz QTSOPTSNILXBBC-UHFFFAOYSA-N 1 1 317.311 3.144 20 5 DGBDMO CSc1ccc([N+](=O)[O-])cc1[C@H](C)NC[C@H]1CCC[N@@H+](C)C1 ZINC000872036665 622766628 /nfs/dbraw/zinc/76/66/28/622766628.db2.gz UTSJMGJMNWRAOP-QWHCGFSZSA-N 1 1 323.462 3.309 20 5 DGBDMO CSc1ccc([N+](=O)[O-])cc1[C@H](C)[NH2+]C[C@H]1CCCN(C)C1 ZINC000872036665 622766630 /nfs/dbraw/zinc/76/66/30/622766630.db2.gz UTSJMGJMNWRAOP-QWHCGFSZSA-N 1 1 323.462 3.309 20 5 DGBDMO C[C@@H](NC1C[C@H]2CC[C@@H](C1)[N@@H+]2C)c1c(F)cccc1[N+](=O)[O-] ZINC000872076979 622791931 /nfs/dbraw/zinc/79/19/31/622791931.db2.gz WSSXQXACOJYARU-ODWCKFRGSA-N 1 1 307.369 3.010 20 5 DGBDMO Cc1ccc(C)c([C@H]2CCC[N@@H+]2Cn2cc([N+](=O)[O-])cn2)c1 ZINC000124039424 622882529 /nfs/dbraw/zinc/88/25/29/622882529.db2.gz WKZHTVFVPBWDGY-MRXNPFEDSA-N 1 1 300.362 3.203 20 5 DGBDMO Cc1ccc(C)c([C@H]2CCC[N@H+]2Cn2cc([N+](=O)[O-])cn2)c1 ZINC000124039424 622882534 /nfs/dbraw/zinc/88/25/34/622882534.db2.gz WKZHTVFVPBWDGY-MRXNPFEDSA-N 1 1 300.362 3.203 20 5 DGBDMO CC(C)(O)[C@@H]1CCCN(c2cc[nH+]c3ccc([N+](=O)[O-])cc32)C1 ZINC000872672938 622951827 /nfs/dbraw/zinc/95/18/27/622951827.db2.gz DFPXTHMCSBHPDA-GFCCVEGCSA-N 1 1 315.373 3.130 20 5 DGBDMO CC[C@H](CSC)[N@@H+](C)Cn1nc(C)c2cc([N+](=O)[O-])ccc21 ZINC000773257487 623005494 /nfs/dbraw/zinc/00/54/94/623005494.db2.gz YDIUFYVRDUMJMO-GFCCVEGCSA-N 1 1 322.434 3.284 20 5 DGBDMO CC[C@H]1[C@@H](C)CC[N@H+]1Cn1nc(C)c2cc([N+](=O)[O-])ccc21 ZINC000774620739 623167261 /nfs/dbraw/zinc/16/72/61/623167261.db2.gz VRMKFUAAWIPIEU-NHYWBVRUSA-N 1 1 302.378 3.331 20 5 DGBDMO CCC[C@@]1(CO)CCC[N@H+]1Cc1ccc([N+](=O)[O-])c(Cl)c1 ZINC000775176939 623238623 /nfs/dbraw/zinc/23/86/23/623238623.db2.gz NRXZAMBNQHOLDI-HNNXBMFYSA-N 1 1 312.797 3.375 20 5 DGBDMO C[C@@H](NC(=O)[C@@H](C)[N@@H+]1[C@H](C)CC[C@@H]1C)c1ccccc1[N+](=O)[O-] 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O=[N+]([O-])c1ccc(Cl)cc1C[NH2+]Cc1cnn2ccccc12 ZINC000796476602 626054318 /nfs/dbraw/zinc/05/43/18/626054318.db2.gz IDFLDLIWHQECGI-UHFFFAOYSA-N 1 1 316.748 3.186 20 5 DGBDMO CC(C)(C)[C@H]1CCC[N@@H+](C[C@H](O)c2ccc([N+](=O)[O-])cc2)C1 ZINC000796575265 626063257 /nfs/dbraw/zinc/06/32/57/626063257.db2.gz LMHWOTLRWXRRMY-HOCLYGCPSA-N 1 1 306.406 3.386 20 5 DGBDMO Cc1nn(C[N@H+]2CC(C)=C[C@@H](C)C2)c2cc([N+](=O)[O-])ccc12 ZINC000797417303 626141290 /nfs/dbraw/zinc/14/12/90/626141290.db2.gz NGBMVYOFOKSSPW-LLVKDONJSA-N 1 1 300.362 3.108 20 5 DGBDMO C[NH+]1CCC2(CCCN(Cc3ccc([N+](=O)[O-])cc3F)C2)CC1 ZINC000798957511 626262354 /nfs/dbraw/zinc/26/23/54/626262354.db2.gz YQNGNXKSYNNVPU-UHFFFAOYSA-N 1 1 321.396 3.042 20 5 DGBDMO O=[N+]([O-])c1ccccc1/C=C/C[N@H+]1CC[C@@H](c2ccccn2)C1 ZINC000798962947 626263798 /nfs/dbraw/zinc/26/37/98/626263798.db2.gz UBEZGRZDRZEWQQ-BIENSFFJSA-N 1 1 309.369 3.493 20 5 DGBDMO CN1CC[N@H+](Cc2ccc([N+](=O)[O-])c(F)c2)Cc2ccccc21 ZINC000801515139 626406531 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20 5 DGBDMO CC(C)[N@@H+](Cc1ccc([N+](=O)[O-])cc1)CN1C(=O)CCC1(C)C ZINC000808143472 626797393 /nfs/dbraw/zinc/79/73/93/626797393.db2.gz YJRSGFZPEUMUHB-UHFFFAOYSA-N 1 1 319.405 3.164 20 5 DGBDMO CC(C)[N@H+](Cc1ccc([N+](=O)[O-])cc1)CN1C(=O)CCC1(C)C ZINC000808143472 626797396 /nfs/dbraw/zinc/79/73/96/626797396.db2.gz YJRSGFZPEUMUHB-UHFFFAOYSA-N 1 1 319.405 3.164 20 5 DGBDMO O=[N+]([O-])c1cnn(C[N@H+]2C[C@H](c3ccccc3)C3(CCC3)C2)c1 ZINC000840177360 626913589 /nfs/dbraw/zinc/91/35/89/626913589.db2.gz IQBJZTHBPGBKLK-MRXNPFEDSA-N 1 1 312.373 3.019 20 5 DGBDMO CO[C@H]1[C@H]2[C@H]3C[C@@H]1C[C@H]3C[N@H+]2Cc1ccc([N+](=O)[O-])c(Cl)c1 ZINC000809698111 626938168 /nfs/dbraw/zinc/93/81/68/626938168.db2.gz VVMMAUMXOYYNPA-GWIBLVFBSA-N 1 1 322.792 3.103 20 5 DGBDMO C[N@H+]1CC[C@H]2[C@@H](CCCN2Cc2cc([N+](=O)[O-])ccc2Cl)C1 ZINC000809767797 626949974 /nfs/dbraw/zinc/94/99/74/626949974.db2.gz UMRWEURBJLKJFY-LRDDRELGSA-N 1 1 323.824 3.164 20 5 DGBDMO CC[N@@H+](Cc1cc(Cl)cc(Cl)c1[N+](=O)[O-])CC(C)(C)O ZINC000809947742 626961669 /nfs/dbraw/zinc/96/16/69/626961669.db2.gz NGYDYAJCTVUKFW-UHFFFAOYSA-N 1 1 321.204 3.494 20 5 DGBDMO CO[C@H](C)C[N@H+](C)Cc1cc(Cl)cc(Cl)c1[N+](=O)[O-] ZINC000810018133 626969007 /nfs/dbraw/zinc/96/90/07/626969007.db2.gz RLTSWWIWNUAPJW-MRVPVSSYSA-N 1 1 307.177 3.368 20 5 DGBDMO CO[C@H](C)C[N@@H+](C)Cc1cc(Cl)cc(Cl)c1[N+](=O)[O-] ZINC000810018133 626969010 /nfs/dbraw/zinc/96/90/10/626969010.db2.gz RLTSWWIWNUAPJW-MRVPVSSYSA-N 1 1 307.177 3.368 20 5 DGBDMO CCC[N@@H+](CC)C[C@H](C)NCc1cc([N+](=O)[O-])ccc1Cl ZINC000810180931 626985244 /nfs/dbraw/zinc/98/52/44/626985244.db2.gz QYXRTBXDQHFMOR-LBPRGKRZSA-N 1 1 313.829 3.458 20 5 DGBDMO Cc1ccc([N+](=O)[O-])cc1OC(=O)[C@]1(F)CC[N@H+](C(C)(C)C)C1 ZINC000810536607 627012925 /nfs/dbraw/zinc/01/29/25/627012925.db2.gz QVFKIAGKCLBQPO-INIZCTEOSA-N 1 1 324.352 3.021 20 5 DGBDMO COc1ccc(CCC[N@@H+](C)Cc2cccnc2[N+](=O)[O-])cc1 ZINC000885963639 627071675 /nfs/dbraw/zinc/07/16/75/627071675.db2.gz OVZWCZWPWSYLOP-UHFFFAOYSA-N 1 1 315.373 3.063 20 5 DGBDMO O=[N+]([O-])c1ncccc1C[N@H+](CCC(F)(F)F)CC1CC1 ZINC000886036634 627090157 /nfs/dbraw/zinc/09/01/57/627090157.db2.gz BCAXMRAVLUALLS-UHFFFAOYSA-N 1 1 303.284 3.154 20 5 DGBDMO O=[N+]([O-])c1ncccc1C[N@@H+](CCC(F)(F)F)CC1CC1 ZINC000886036634 627090158 /nfs/dbraw/zinc/09/01/58/627090158.db2.gz BCAXMRAVLUALLS-UHFFFAOYSA-N 1 1 303.284 3.154 20 5 DGBDMO C[N@H+](Cc1cc([N+](=O)[O-])ccc1Cl)C[C@@H]1C[C@@]12CCOC2 ZINC000886046858 627092720 /nfs/dbraw/zinc/09/27/20/627092720.db2.gz RAEBBOHEVJPEPE-SWLSCSKDSA-N 1 1 310.781 3.107 20 5 DGBDMO CC1(C)[C@H](C(F)(F)F)CC[N@@H+]1Cc1cccnc1[N+](=O)[O-] ZINC000886164253 627115895 /nfs/dbraw/zinc/11/58/95/627115895.db2.gz GENZCFHXXXSBIT-SNVBAGLBSA-N 1 1 303.284 3.153 20 5 DGBDMO CC1(C)[C@H](C(F)(F)F)CC[N@H+]1Cc1cccnc1[N+](=O)[O-] ZINC000886164253 627115896 /nfs/dbraw/zinc/11/58/96/627115896.db2.gz GENZCFHXXXSBIT-SNVBAGLBSA-N 1 1 303.284 3.153 20 5 DGBDMO O=[N+]([O-])c1ncccc1C[N@@H+]1CCC[C@H](CC(F)(F)F)C1 ZINC000886249360 627126543 /nfs/dbraw/zinc/12/65/43/627126543.db2.gz ISMJOONUFOTUEN-SNVBAGLBSA-N 1 1 303.284 3.154 20 5 DGBDMO O=[N+]([O-])c1ncccc1C[N@H+]1CCC[C@H](CC(F)(F)F)C1 ZINC000886249360 627126544 /nfs/dbraw/zinc/12/65/44/627126544.db2.gz ISMJOONUFOTUEN-SNVBAGLBSA-N 1 1 303.284 3.154 20 5 DGBDMO CC(C)[C@H]([NH2+]Cc1ccc([N+](=O)[O-])cc1Cl)c1cnn(C)c1 ZINC000886591856 627168997 /nfs/dbraw/zinc/16/89/97/627168997.db2.gz DDNIBQJQJSQFNH-HNNXBMFYSA-N 1 1 322.796 3.469 20 5 DGBDMO CCCC[N@@H+](C)C[C@@H](C)Nc1ccc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000811848741 627329542 /nfs/dbraw/zinc/32/95/42/627329542.db2.gz RFHSFMDOCWOCPC-LLVKDONJSA-N 1 1 310.354 3.035 20 5 DGBDMO C[C@@H]1CCC[N@H+]1CCNc1nccc2ccc([N+](=O)[O-])cc21 ZINC000840270476 627430039 /nfs/dbraw/zinc/43/00/39/627430039.db2.gz PGLRKGKFRCCERO-GFCCVEGCSA-N 1 1 300.362 3.039 20 5 DGBDMO Cc1cc([N+](=O)[O-])cc(Cl)c1N1CC[C@@]2(CC[N@H+](C)C2)C1 ZINC000813635852 627505188 /nfs/dbraw/zinc/50/51/88/627505188.db2.gz IRYLMBPUKDCCKF-OAHLLOKOSA-N 1 1 309.797 3.089 20 5 DGBDMO COc1ccc(C[NH2+][C@H](C)c2cc(O)cc(F)c2)cc1[N+](=O)[O-] ZINC000924842660 627686218 /nfs/dbraw/zinc/68/62/18/627686218.db2.gz UFERVLUZASIQIL-SNVBAGLBSA-N 1 1 320.320 3.299 20 5 DGBDMO O=[N+]([O-])c1ccc(C[N@@H+]2CC[C@H](O)C23CCCC3)cc1Cl ZINC000816630694 627817511 /nfs/dbraw/zinc/81/75/11/627817511.db2.gz OHHLFRXYMLZWQA-AWEZNQCLSA-N 1 1 310.781 3.128 20 5 DGBDMO O=[N+]([O-])c1cccc([C@@H](O)C[N@H+]2CC[C@H](C3CCCC3)C2)c1 ZINC000817282440 627876695 /nfs/dbraw/zinc/87/66/95/627876695.db2.gz FDEPHYYNUFPUJC-RDJZCZTQSA-N 1 1 304.390 3.140 20 5 DGBDMO O=[N+]([O-])c1ccc(Cl)cc1C[N@H+]1CC[C@@H](O)CC12CCC2 ZINC000817293264 627878786 /nfs/dbraw/zinc/87/87/86/627878786.db2.gz YRWMPMIVKOBHGP-CYBMUJFWSA-N 1 1 310.781 3.128 20 5 DGBDMO O=[N+]([O-])c1ccc(Cl)cc1C[N@@H+]1CC[C@@H](O)CC12CCC2 ZINC000817293264 627878790 /nfs/dbraw/zinc/87/87/90/627878790.db2.gz YRWMPMIVKOBHGP-CYBMUJFWSA-N 1 1 310.781 3.128 20 5 DGBDMO COc1ccnc([C@@H](C)[NH2+][C@@H](C)c2ccc([N+](=O)[O-])cc2)c1 ZINC000926492473 627903859 /nfs/dbraw/zinc/90/38/59/627903859.db2.gz AUAAEVHYZHANIJ-NWDGAFQWSA-N 1 1 301.346 3.410 20 5 DGBDMO C[C@H]([NH2+]C1([C@H]2CCCCO2)CC1)c1c(F)cccc1[N+](=O)[O-] ZINC000927159358 628028640 /nfs/dbraw/zinc/02/86/40/628028640.db2.gz NMANFUWCAIPORO-SMDDNHRTSA-N 1 1 308.353 3.486 20 5 DGBDMO C[N@@H+](Cc1ccc([N+](=O)[O-])cc1F)C[C@@](C)(O)c1ccccc1 ZINC000822517014 628459831 /nfs/dbraw/zinc/45/98/31/628459831.db2.gz SSNKOBQJZQDNOY-QGZVFWFLSA-N 1 1 318.348 3.073 20 5 DGBDMO C[N@@H+](Cc1cc(F)ccc1[N+](=O)[O-])C[C@](C)(O)c1ccccc1 ZINC000823590439 628577925 /nfs/dbraw/zinc/57/79/25/628577925.db2.gz DDDDJTXHNMHUHU-KRWDZBQOSA-N 1 1 318.348 3.073 20 5 DGBDMO Cn1nc(C2CC2)cc1C[NH2+]Cc1cc([N+](=O)[O-])ccc1Cl ZINC000823997593 628617050 /nfs/dbraw/zinc/61/70/50/628617050.db2.gz ZWNDEHPYGUKGHJ-UHFFFAOYSA-N 1 1 320.780 3.149 20 5 DGBDMO CC1(C)C[N@H+](Cc2cc(Cl)ccc2[N+](=O)[O-])[C@@H]2COC[C@@H]21 ZINC000825331713 628750814 /nfs/dbraw/zinc/75/08/14/628750814.db2.gz MDJPXOGDDCHQTK-GXTWGEPZSA-N 1 1 310.781 3.105 20 5 DGBDMO CC1(C)C[N@@H+](Cc2cc(Cl)ccc2[N+](=O)[O-])[C@@H]2COC[C@@H]21 ZINC000825331713 628750818 /nfs/dbraw/zinc/75/08/18/628750818.db2.gz MDJPXOGDDCHQTK-GXTWGEPZSA-N 1 1 310.781 3.105 20 5 DGBDMO CC(C)[N@H+]1CC[C@@H](N(C)c2ccc3ncccc3c2[N+](=O)[O-])C1 ZINC000829572621 629170775 /nfs/dbraw/zinc/17/07/75/629170775.db2.gz QPRHLMLUAJIXIU-CYBMUJFWSA-N 1 1 314.389 3.062 20 5 DGBDMO C[C@@H]1[C@@H](C)[C@H](C)C[N@H+]1CCC(=O)Nc1cc([N+](=O)[O-])ccc1F ZINC000842165171 630501122 /nfs/dbraw/zinc/50/11/22/630501122.db2.gz AJYXRTQSSLGRTI-GRYCIOLGSA-N 1 1 323.368 3.039 20 5 DGBDMO O=C(C[N@@H+]1CCC12CCCC2)Nc1ccc(Cl)c([N+](=O)[O-])c1 ZINC000844361762 630721128 /nfs/dbraw/zinc/72/11/28/630721128.db2.gz YRZKQURLCDNYNE-UHFFFAOYSA-N 1 1 323.780 3.205 20 5 DGBDMO O=C(C[N@H+]1CCC12CCCC2)Nc1ccc(Cl)c([N+](=O)[O-])c1 ZINC000844361762 630721129 /nfs/dbraw/zinc/72/11/29/630721129.db2.gz YRZKQURLCDNYNE-UHFFFAOYSA-N 1 1 323.780 3.205 20 5 DGBDMO O=[N+]([O-])c1ccc(F)cc1C[NH+]1CCC2(CC2(F)F)CC1 ZINC000844410435 630726284 /nfs/dbraw/zinc/72/62/84/630726284.db2.gz VVRBDYMBFZWTGR-UHFFFAOYSA-N 1 1 300.280 3.355 20 5 DGBDMO O=[N+]([O-])c1cccc(OCC[N@H+]2CCC[C@]3(CC3(F)F)C2)c1 ZINC000844441221 630730535 /nfs/dbraw/zinc/73/05/35/630730535.db2.gz ZJEDMGPPRFEHQA-AWEZNQCLSA-N 1 1 312.316 3.095 20 5 DGBDMO O=[N+]([O-])c1ccccc1-c1cnn(C[N@H+]2CCC[C@@H]2C2CC2)c1 ZINC000848477169 631667219 /nfs/dbraw/zinc/66/72/19/631667219.db2.gz QGPDFEPBKOVUEC-MRXNPFEDSA-N 1 1 312.373 3.290 20 5 DGBDMO Cn1ncc(C2CC2)c1C[NH2+]Cc1cc([N+](=O)[O-])ccc1Cl ZINC000850184871 632075021 /nfs/dbraw/zinc/07/50/21/632075021.db2.gz ZDRWSDGQDPCPSI-UHFFFAOYSA-N 1 1 320.780 3.149 20 5 DGBDMO C[C@@H](C(=O)Nc1cccc([N+](=O)[O-])c1)[N@H+]1CCC2(CCCC2)C1 ZINC000173822348 659402627 /nfs/dbraw/zinc/40/26/27/659402627.db2.gz HODUBKVKGYZWID-ZDUSSCGKSA-N 1 1 317.389 3.188 20 5 DGBDMO Cc1cc(N2CCC[C@H](c3[nH+]ccn3C)C2)c(F)cc1[N+](=O)[O-] ZINC000360049427 660495302 /nfs/dbraw/zinc/49/53/02/660495302.db2.gz DGZVDRPFIFGSII-LBPRGKRZSA-N 1 1 318.352 3.160 20 5 DGBDMO O=[N+]([O-])c1ccc(Cl)cc1C[N@@H+]1CCC[C@@H]1[C@H]1CCCO1 ZINC000792925151 660994314 /nfs/dbraw/zinc/99/43/14/660994314.db2.gz KFJCBMZUFXPBBS-HUUCEWRRSA-N 1 1 310.781 3.392 20 5 DGBDMO O=[N+]([O-])c1ccc(Cl)cc1C[N@H+]1CCC[C@@H]1[C@H]1CCCO1 ZINC000792925151 660994315 /nfs/dbraw/zinc/99/43/15/660994315.db2.gz KFJCBMZUFXPBBS-HUUCEWRRSA-N 1 1 310.781 3.392 20 5 DGBDMO Cc1nn(C[N@H+](C)[C@@H]2CCC(C)(C)C2)c2ncc([N+](=O)[O-])cc12 ZINC000794686747 661098521 /nfs/dbraw/zinc/09/85/21/661098521.db2.gz QKPHGVDCFPZSQF-GFCCVEGCSA-N 1 1 317.393 3.116 20 5 DGBDMO O=[N+]([O-])c1ccc(Cl)cc1C[N@@H+]1CCOC[C@@H](C2CCC2)C1 ZINC000795288455 661138788 /nfs/dbraw/zinc/13/87/88/661138788.db2.gz ZGUMLCFWGLDKMO-AWEZNQCLSA-N 1 1 324.808 3.497 20 5 DGBDMO O=[N+]([O-])c1ccc(Cl)cc1C[N@H+]1CCOC[C@@H](C2CCC2)C1 ZINC000795288455 661138790 /nfs/dbraw/zinc/13/87/90/661138790.db2.gz ZGUMLCFWGLDKMO-AWEZNQCLSA-N 1 1 324.808 3.497 20 5 DGBDMO O=[N+]([O-])c1ccnn1C[N@H+]1C[C@H](c2ccccc2)[C@@H]2CCC[C@@H]21 ZINC000795678534 661167092 /nfs/dbraw/zinc/16/70/92/661167092.db2.gz FMOHHMGYVFMMDC-XHSDSOJGSA-N 1 1 312.373 3.017 20 5 DGBDMO Cn1cc(C[N@H+]2C[C@@H](c3ccccc3)CC2(C)C)c([N+](=O)[O-])n1 ZINC000932898752 655642673 /nfs/dbraw/zinc/64/26/73/655642673.db2.gz OONAZSQCAOWDFB-AWEZNQCLSA-N 1 1 314.389 3.096 20 5 DGBDMO C[N@H+](Cc1ccccc1[N+](=O)[O-])C[C@@H](O)c1ccc(Cl)cc1 ZINC000046599841 655833266 /nfs/dbraw/zinc/83/32/66/655833266.db2.gz VJWCMFKPQZGKIF-MRXNPFEDSA-N 1 1 320.776 3.414 20 5 DGBDMO Cc1[nH+]cn(Cc2cccc([N+](=O)[O-])c2Br)c1C ZINC000235943783 655936736 /nfs/dbraw/zinc/93/67/36/655936736.db2.gz DLIWHKQZJLPKCE-UHFFFAOYSA-N 1 1 310.151 3.219 20 5 DGBDMO O=[N+]([O-])c1cccc(C[N@H+]2CC[C@@]3(CC(F)(F)C3(F)F)C2)c1 ZINC000931918547 656812286 /nfs/dbraw/zinc/81/22/86/656812286.db2.gz VLSGFWXJGVBQFE-GFCCVEGCSA-N 1 1 318.270 3.461 20 5 DGBDMO C[C@H]1C[N@@H+](Cc2ccc(-c3ccccc3[N+](=O)[O-])s2)C[C@@H]1O ZINC000897684593 658484199 /nfs/dbraw/zinc/48/41/99/658484199.db2.gz SDHZUFZIHIAGMS-NHYWBVRUSA-N 1 1 318.398 3.136 20 5 DGBDMO C[C@H](c1cccc([N+](=O)[O-])c1)[N@H+]1CCC[C@@H](c2ccn(C)n2)C1 ZINC000932140074 661541612 /nfs/dbraw/zinc/54/16/12/661541612.db2.gz VABMSCUUHFIUEI-UKRRQHHQSA-N 1 1 314.389 3.269 20 5 DGBDMO CC1(C)C[C@H](c2ccccc2)C[N@H+]1CCn1cc([N+](=O)[O-])cn1 ZINC000932899731 661607113 /nfs/dbraw/zinc/60/71/13/661607113.db2.gz NBBQLSFMTASCMO-HNNXBMFYSA-N 1 1 314.389 3.059 20 5 DGBDMO O=[N+]([O-])c1cccc(F)c1C[N@H+]1CCC[C@@H](C2CCOCC2)C1 ZINC000933076155 661616274 /nfs/dbraw/zinc/61/62/74/661616274.db2.gz FQLYFOGWJQDGNR-CQSZACIVSA-N 1 1 322.380 3.373 20 5 DGBDMO COc1ccc(C[N@H+]2CCCSC[C@H]2C2CC2)cc1[N+](=O)[O-] ZINC000933916995 661666277 /nfs/dbraw/zinc/66/62/77/661666277.db2.gz XURPCSUMMYXUCU-HNNXBMFYSA-N 1 1 322.430 3.321 20 5 DGBDMO O=[N+]([O-])c1cccc(C[N@H+]2CC[C@H](Cc3nccs3)C2)c1 ZINC000934333582 661698207 /nfs/dbraw/zinc/69/82/07/661698207.db2.gz KVMZAMISLBNJGH-CYBMUJFWSA-N 1 1 303.387 3.116 20 5 DGBDMO C[C@H]([NH2+]Cc1ccccc1[N+](=O)[O-])c1cnn(CC2CCC2)c1 ZINC000934552202 661714365 /nfs/dbraw/zinc/71/43/65/661714365.db2.gz LQJYJAGLPPGXTA-ZDUSSCGKSA-N 1 1 314.389 3.442 20 5 DGBDMO O=[N+]([O-])c1ccc(F)cc1C[N@H+]1CCCC[C@H]([C@H]2CCOC2)C1 ZINC000934840905 661740283 /nfs/dbraw/zinc/74/02/83/661740283.db2.gz GKCDHDNRCXKIHR-KBPBESRZSA-N 1 1 322.380 3.373 20 5 DGBDMO C[C@@H]1CSCC[N@H+](Cc2cc([N+](=O)[O-])ccc2Cl)C1 ZINC000190479397 662033437 /nfs/dbraw/zinc/03/34/37/662033437.db2.gz WBCNIVXVSKHMHD-JTQLQIEISA-N 1 1 300.811 3.433 20 5 DGBDMO C[C@@H]1CSCC[N@@H+](Cc2cc([N+](=O)[O-])ccc2Cl)C1 ZINC000190479397 662033441 /nfs/dbraw/zinc/03/34/41/662033441.db2.gz WBCNIVXVSKHMHD-JTQLQIEISA-N 1 1 300.811 3.433 20 5 DGBDMO C[C@H]1CCCC[C@@]1(CN)[NH2+]Cc1ccc(Cl)c([N+](=O)[O-])c1 ZINC001576689977 1191863059 /nfs/dbraw/zinc/86/30/59/1191863059.db2.gz GGWOYFXZUHSXQY-NHYWBVRUSA-N 1 1 311.813 3.245 20 5 DGBDMO CN(C)C(C)(C)C[NH2+]Cc1ccc(-c2ccc([N+](=O)[O-])cc2)o1 ZINC001620694970 1192068173 /nfs/dbraw/zinc/06/81/73/1192068173.db2.gz HGDKGCFLHRWHAQ-UHFFFAOYSA-N 1 1 317.389 3.285 20 5 DGBDMO CC(C)(C)n1cc(C[NH2+]Cc2cc([N+](=O)[O-])ccc2Cl)cn1 ZINC001620858952 1192471182 /nfs/dbraw/zinc/47/11/82/1192471182.db2.gz QXCNCJQUKOJXHO-UHFFFAOYSA-N 1 1 322.796 3.490 20 5 DGBDMO Cc1ccc([N+](=O)[O-])cc1[C@@H](C)[N@H+]1CC[C@@](CO)(C(C)C)C1 ZINC000351937468 1178053464 /nfs/dbraw/zinc/05/34/64/1178053464.db2.gz ODAJLYIJNNKNTN-RHSMWYFYSA-N 1 1 306.406 3.305 20 5 DGBDMO CC(C)[N@H+]1CC[C@H](CNc2ncc([N+](=O)[O-])c3ccccc32)C1 ZINC001331100012 1178135667 /nfs/dbraw/zinc/13/56/67/1178135667.db2.gz NQKOYXAXZIHSDB-CYBMUJFWSA-N 1 1 314.389 3.285 20 5 DGBDMO Cc1ncc([N+](=O)[O-])n1CCSCc1c(C)cc(C)[nH+]c1C ZINC001332217897 1178397083 /nfs/dbraw/zinc/39/70/83/1178397083.db2.gz QPJDXLSUHFSQSD-UHFFFAOYSA-N 1 1 320.418 3.353 20 5 DGBDMO COc1ccc(C[NH2+]C(C)(C)c2ccc([N+](=O)[O-])cc2)nc1 ZINC001334859422 1178816449 /nfs/dbraw/zinc/81/64/49/1178816449.db2.gz NUJMCIUWQWEVKE-UHFFFAOYSA-N 1 1 301.346 3.023 20 5 DGBDMO Cn1ncc(C[NH2+]Cc2cc([N+](=O)[O-])ccc2Cl)c1C1CC1 ZINC001335479386 1178917753 /nfs/dbraw/zinc/91/77/53/1178917753.db2.gz TVUSGXSQGJDTPX-UHFFFAOYSA-N 1 1 320.780 3.149 20 5 DGBDMO O=[N+]([O-])c1ccc(C[NH+]2C3CCC2CC3)c(Br)c1 ZINC001342930152 1179211318 /nfs/dbraw/zinc/21/13/18/1179211318.db2.gz ACUWCXYPMGWZHF-UHFFFAOYSA-N 1 1 311.179 3.484 20 5 DGBDMO COc1c(O)ccc(C[N@H+]2CC3(CCC3)C[C@@H]2C)c1[N+](=O)[O-] ZINC001343057868 1179229761 /nfs/dbraw/zinc/22/97/61/1179229761.db2.gz JVRZAHRINPUYFM-NSHDSACASA-N 1 1 306.362 3.074 20 5 DGBDMO O=[N+]([O-])c1ccc2c(c1)CN([C@H]1CC[N@@H+](Cc3ccccc3)C1)C2 ZINC001344558803 1179450203 /nfs/dbraw/zinc/45/02/03/1179450203.db2.gz VJWNVKRTDYPYOQ-IBGZPJMESA-N 1 1 323.396 3.185 20 5 DGBDMO CCOc1ncccc1C[NH2+]Cc1c(C)ccc([N+](=O)[O-])c1C ZINC001352837649 1180407853 /nfs/dbraw/zinc/40/78/53/1180407853.db2.gz WOCBLKJMERKSCH-UHFFFAOYSA-N 1 1 315.373 3.295 20 5 DGBDMO Cc1nn(C)c(C[NH2+]C(C)(C)c2ccc([N+](=O)[O-])cc2)c1Cl ZINC001355278490 1181027295 /nfs/dbraw/zinc/02/72/95/1181027295.db2.gz KDYZZHFJEXPLSM-UHFFFAOYSA-N 1 1 322.796 3.315 20 5 DGBDMO Cc1cc(NCC[N@H+]2CCc3ccccc3C2)c([N+](=O)[O-])s1 ZINC001458100183 1182496472 /nfs/dbraw/zinc/49/64/72/1182496472.db2.gz SJOWDDIMYRFSSM-UHFFFAOYSA-N 1 1 317.414 3.435 20 5 DGBDMO CCC(=O)c1ccc(NCCn2cc[nH+]c2CC)c([N+](=O)[O-])c1 ZINC001458604405 1182543061 /nfs/dbraw/zinc/54/30/61/1182543061.db2.gz GUDOYVUECWGJIH-UHFFFAOYSA-N 1 1 316.361 3.059 20 5 DGBDMO Cc1ccc(NCCNc2c(F)cc([N+](=O)[O-])cc2F)[nH+]c1 ZINC001458627430 1182545490 /nfs/dbraw/zinc/54/54/90/1182545490.db2.gz VJAIZVMPZXGUCY-UHFFFAOYSA-N 1 1 308.288 3.100 20 5 DGBDMO Cc1ccc(C[N@H+](CCO)[C@H](C)c2ccccc2)cc1[N+](=O)[O-] ZINC001459784355 1182614732 /nfs/dbraw/zinc/61/47/32/1182614732.db2.gz IYSGMGXUCGHYDW-OAHLLOKOSA-N 1 1 314.385 3.459 20 5 DGBDMO C[C@H](NCc1csc([N+](=O)[O-])c1)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC001459936320 1182631051 /nfs/dbraw/zinc/63/10/51/1182631051.db2.gz NTCWWPLCORAMMX-JSGCOSHPSA-N 1 1 323.462 3.399 20 5 DGBDMO CC[C@@H]1CC[N@@H+](CCC(=O)Nc2cc([N+](=O)[O-])ccc2F)[C@@H]1C ZINC001459987463 1182637506 /nfs/dbraw/zinc/63/75/06/1182637506.db2.gz PLKPVBSULIPFRH-VXGBXAGGSA-N 1 1 323.368 3.183 20 5 DGBDMO CCCn1cc(C[NH2+]Cc2cc([N+](=O)[O-])ccc2Cl)c(C)n1 ZINC001461340216 1182797266 /nfs/dbraw/zinc/79/72/66/1182797266.db2.gz JVBCMMOPLFYXSV-UHFFFAOYSA-N 1 1 322.796 3.453 20 5 DGBDMO COC1(C[NH+]2CC(Oc3ccc([N+](=O)[O-])cc3)C2)CCCCC1 ZINC001462328492 1182940448 /nfs/dbraw/zinc/94/04/48/1182940448.db2.gz XDXBTZZRSXWWDD-UHFFFAOYSA-N 1 1 320.389 3.007 20 5 DGBDMO CCC[N@H+]1CCC[C@H]1CNc1ncc([N+](=O)[O-])c2ccccc21 ZINC001472777960 1183680146 /nfs/dbraw/zinc/68/01/46/1183680146.db2.gz ROHZQXLBXFTESF-ZDUSSCGKSA-N 1 1 314.389 3.429 20 5 DGBDMO C[N@H+]1CCN(c2ccc([N+](=O)[O-])cc2F)CC12CCCCC2 ZINC001472787467 1183681621 /nfs/dbraw/zinc/68/16/21/1183681621.db2.gz MHGOMQTUOOEJHI-UHFFFAOYSA-N 1 1 307.369 3.189 20 5 DGBDMO O=[N+]([O-])c1cnc(NC[C@@H]2CC[N@H+]2C2CCCCC2)c(Cl)c1 ZINC001472834161 1183687812 /nfs/dbraw/zinc/68/78/12/1183687812.db2.gz AUDYVMCOUYEEJR-LBPRGKRZSA-N 1 1 324.812 3.462 20 5 DGBDMO O=[N+]([O-])c1cnc(NC[C@H]2CC[N@H+]2C2CCCCCC2)s1 ZINC001472858096 1183691472 /nfs/dbraw/zinc/69/14/72/1183691472.db2.gz VGEVBHZLLRRZEV-GFCCVEGCSA-N 1 1 310.423 3.260 20 5 DGBDMO CCOc1cc(C[N@@H+]2CC(C)(C)OC[C@H]2CC)ccc1[N+](=O)[O-] ZINC001473618486 1183782780 /nfs/dbraw/zinc/78/27/80/1183782780.db2.gz SKQRQRSFTVJBSR-CQSZACIVSA-N 1 1 322.405 3.383 20 5 DGBDMO CCOc1cc(C[N@H+]2CC(C)(C)OC[C@H]2CC)ccc1[N+](=O)[O-] ZINC001473618486 1183782782 /nfs/dbraw/zinc/78/27/82/1183782782.db2.gz SKQRQRSFTVJBSR-CQSZACIVSA-N 1 1 322.405 3.383 20 5 DGBDMO CC(C)C1(O)CC[NH+](Cc2ccc([N+](=O)[O-])cc2Cl)CC1 ZINC001473883263 1183818959 /nfs/dbraw/zinc/81/89/59/1183818959.db2.gz DLFSILWPVKVISS-UHFFFAOYSA-N 1 1 312.797 3.231 20 5 DGBDMO C[C@@H]([NH2+]Cc1ccc2oc(=O)oc2c1)c1ccccc1[N+](=O)[O-] ZINC001474256606 1183890694 /nfs/dbraw/zinc/89/06/94/1183890694.db2.gz SBRCUJMASIWIFQ-SNVBAGLBSA-N 1 1 314.297 3.145 20 5 DGBDMO CCCC[N@@H+](C)C[C@@H](C)NC(=O)Nc1cc(C)cc([N+](=O)[O-])c1 ZINC001477213215 1184073433 /nfs/dbraw/zinc/07/34/33/1184073433.db2.gz YYFMFSRYPFSBOY-CYBMUJFWSA-N 1 1 322.409 3.145 20 5 DGBDMO C[N@H+]1CCC[C@@H]1CNc1c(Cl)c(Cl)ccc1[N+](=O)[O-] ZINC001612621399 1193458061 /nfs/dbraw/zinc/45/80/61/1193458061.db2.gz XBPXSMORBFIWRL-MRVPVSSYSA-N 1 1 304.177 3.408 20 5 DGBDMO CC[N@@H+](C)[C@H]1CCN(c2cccc(C(F)(F)F)c2[N+](=O)[O-])C1 ZINC001613088029 1193467678 /nfs/dbraw/zinc/46/76/78/1193467678.db2.gz MSYFOWGSUBPQKC-JTQLQIEISA-N 1 1 317.311 3.144 20 5 DGBDMO CC(C)[N@H+]1CCC[C@H]1C(=O)Nc1ccc(Cl)c([N+](=O)[O-])c1 ZINC001524179221 1187220859 /nfs/dbraw/zinc/22/08/59/1187220859.db2.gz RPIAXJDYJDNDKM-LBPRGKRZSA-N 1 1 311.769 3.060 20 5 DGBDMO C[C@@H]1C[NH+](Cc2ccc(Br)cc2[N+](=O)[O-])C[C@H]1C ZINC001615638549 1193524995 /nfs/dbraw/zinc/52/49/95/1193524995.db2.gz AFFRLXASXBELCQ-NXEZZACHSA-N 1 1 313.195 3.445 20 5 DGBDMO C[C@H]([NH2+]Cc1ccc(F)cc1[N+](=O)[O-])c1cccc([N+](=O)[O-])c1 ZINC001616700262 1193545619 /nfs/dbraw/zinc/54/56/19/1193545619.db2.gz SVYAAWMVMDRUJC-JTQLQIEISA-N 1 1 319.292 3.493 20 5 DGBDMO O=[N+]([O-])c1ccc(C[N@@H+](CCCOC(F)(F)F)C2CC2)cc1 ZINC001616891902 1193549890 /nfs/dbraw/zinc/54/98/90/1193549890.db2.gz KNZJATBXHFMSTO-UHFFFAOYSA-N 1 1 318.295 3.486 20 5 DGBDMO CCC[N@@H+](C)CC(C)(C)Nc1ccc([N+](=O)[O-])c(OC(C)C)n1 ZINC001559242772 1189185140 /nfs/dbraw/zinc/18/51/40/1189185140.db2.gz WONDHDUXAFZHFY-UHFFFAOYSA-N 1 1 324.425 3.309 20 5 DGBDMO Cc1ncc([N+](=O)[O-])n1CC[N@@H+]1CCCCC[C@H]1CC(C)C ZINC001559551719 1189215835 /nfs/dbraw/zinc/21/58/35/1189215835.db2.gz LYITXCVQRQKBQC-HNNXBMFYSA-N 1 1 308.426 3.390 20 5 DGBDMO C[C@@H]1CCCC[C@H]1[N@@H+](C)CCC(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC001559752078 1189238259 /nfs/dbraw/zinc/23/82/59/1189238259.db2.gz RNLOOUVIZJKRBW-CZUORRHYSA-N 1 1 319.405 3.434 20 5 DGBDMO CC[C@H]1CC[N@@H+](CCOc2ccc(OC)cc2[N+](=O)[O-])[C@@H]1C ZINC001559768090 1189240880 /nfs/dbraw/zinc/24/08/80/1189240880.db2.gz CMZOMNMGHMMXEQ-OLZOCXBDSA-N 1 1 308.378 3.103 20 5 DGBDMO C[N@H+]1CCN(Cc2ccccc2[N+](=O)[O-])CC12CCCCC2 ZINC001559848882 1189249926 /nfs/dbraw/zinc/24/99/26/1189249926.db2.gz FVXOGNZEBIOICP-UHFFFAOYSA-N 1 1 303.406 3.045 20 5 DGBDMO CCOC[C@H]1CCCC[N@H+]1CCCOc1ccc([N+](=O)[O-])cc1 ZINC001559900306 1189254598 /nfs/dbraw/zinc/25/45/98/1189254598.db2.gz JHVFTFZYABGIPE-MRXNPFEDSA-N 1 1 322.405 3.255 20 5 DGBDMO O=[N+]([O-])c1cccc(F)c1C[N@@H+]1CCCC[C@@H]1[C@@H]1CCCO1 ZINC001560224223 1189293318 /nfs/dbraw/zinc/29/33/18/1189293318.db2.gz ROGKARMLDIMFAF-CVEARBPZSA-N 1 1 308.353 3.267 20 5 DGBDMO O=[N+]([O-])c1cccc(F)c1C[N@H+]1CCCC[C@@H]1[C@@H]1CCCO1 ZINC001560224223 1189293321 /nfs/dbraw/zinc/29/33/21/1189293321.db2.gz ROGKARMLDIMFAF-CVEARBPZSA-N 1 1 308.353 3.267 20 5 DGBDMO C[N@@H+](Cc1cc(F)ccc1[N+](=O)[O-])C[C@]12CCC[C@H]1OCC2 ZINC001560235168 1189295996 /nfs/dbraw/zinc/29/59/96/1189295996.db2.gz BILQCWQLSFFJQR-HZPDHXFCSA-N 1 1 308.353 3.125 20 5 DGBDMO Cc1c(CNC[C@@H](C)[N@@H+]2CCC[C@H](C)C2)cccc1[N+](=O)[O-] ZINC001560265848 1189302094 /nfs/dbraw/zinc/30/20/94/1189302094.db2.gz HGLDHIOUURDTNX-UONOGXRCSA-N 1 1 305.422 3.113 20 5 DGBDMO Cc1c(CNC[C@@H](C)[N@H+]2CCC[C@H](C)C2)cccc1[N+](=O)[O-] ZINC001560265848 1189302098 /nfs/dbraw/zinc/30/20/98/1189302098.db2.gz HGLDHIOUURDTNX-UONOGXRCSA-N 1 1 305.422 3.113 20 5 DGBDMO O=[N+]([O-])c1ccc([C@H]2CCC[N@H+](CC3(O)CCCCC3)C2)cc1 ZINC001618027355 1193721332 /nfs/dbraw/zinc/72/13/32/1193721332.db2.gz LVHHNIMEGLMZFF-INIZCTEOSA-N 1 1 318.417 3.469 20 5 DGBDMO O=[N+]([O-])c1ccc(C[N@@H+]2CCC=C(c3cccnc3)C2)c(F)c1 ZINC001618257964 1193731966 /nfs/dbraw/zinc/73/19/66/1193731966.db2.gz RQJUQFRQGRFIEO-UHFFFAOYSA-N 1 1 313.332 3.418 20 5 DGBDMO O=[N+]([O-])c1ccc(C[N@H+]2CCC=C(c3cccnc3)C2)c(F)c1 ZINC001618257964 1193731968 /nfs/dbraw/zinc/73/19/68/1193731968.db2.gz RQJUQFRQGRFIEO-UHFFFAOYSA-N 1 1 313.332 3.418 20 5 DGBDMO O=[N+]([O-])c1ccccc1OCC[N@@H+](Cc1ccoc1)C1CC1 ZINC001620617132 1193783975 /nfs/dbraw/zinc/78/39/75/1193783975.db2.gz VYAKKAJHJCTCJJ-UHFFFAOYSA-N 1 1 302.330 3.231 20 5 DGBDMO Cc1ccc([N+](=O)[O-])c(C)c1CNCC[NH+]1CCCCCC1 ZINC001620717467 1193794877 /nfs/dbraw/zinc/79/48/77/1193794877.db2.gz HLFSJLOYSKOJGI-UHFFFAOYSA-N 1 1 305.422 3.177 20 5 DGBDMO Cn1cc(C[N@@H+](Cc2ccccc2)CC(C)(C)C)c([N+](=O)[O-])n1 ZINC001641734536 1194868958 /nfs/dbraw/zinc/86/89/58/1194868958.db2.gz MBZXXHZORJDKLO-UHFFFAOYSA-N 1 1 316.405 3.377 20 5 DGBDMO C[C@@H]1CCC[N@@H+](CCNc2nccc3c2cccc3[N+](=O)[O-])C1 ZINC001642066513 1194886856 /nfs/dbraw/zinc/88/68/56/1194886856.db2.gz QNRQFJNTDNFDIP-CYBMUJFWSA-N 1 1 314.389 3.287 20 5 DGBDMO O=[N+]([O-])c1ccc(C[NH2+][C@H](CCO)c2cccs2)c(F)c1 ZINC001642667657 1194926952 /nfs/dbraw/zinc/92/69/52/1194926952.db2.gz JCPVLWKLMUGWKM-CYBMUJFWSA-N 1 1 310.350 3.009 20 5 DGBDMO C[C@@H]1CC[N@@H+](Cc2cn(C)nc2[N+](=O)[O-])CC12CCCCC2 ZINC001642802940 1194940591 /nfs/dbraw/zinc/94/05/91/1194940591.db2.gz PFGFPYSONJWTFY-CYBMUJFWSA-N 1 1 306.410 3.121 20 5 DGBDMO CC(C)C[C@H]1C[N@H+](C)CCN1c1c(F)cc([N+](=O)[O-])cc1F ZINC001643223623 1195005859 /nfs/dbraw/zinc/00/58/59/1195005859.db2.gz YVRINYVLKAUQBW-LBPRGKRZSA-N 1 1 313.348 3.040 20 5 DGBDMO CC(C)C[C@H]1C[N@@H+](C)CCN1c1c(F)cc([N+](=O)[O-])cc1F ZINC001643223623 1195005861 /nfs/dbraw/zinc/00/58/61/1195005861.db2.gz YVRINYVLKAUQBW-LBPRGKRZSA-N 1 1 313.348 3.040 20 5 DGBDMO CCC[N@@H+](CC(C)C)[C@@H](C)C(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC001644456281 1195109465 /nfs/dbraw/zinc/10/94/65/1195109465.db2.gz GXRNAYDMUZBESL-ZDUSSCGKSA-N 1 1 307.394 3.290 20 5 DGBDMO Cc1ncc([N+](=O)[O-])n1CC[N@H+]1CCCC2(CCCCC2)C1 ZINC001644556214 1195117057 /nfs/dbraw/zinc/11/70/57/1195117057.db2.gz ROZUQWCEYWTATQ-UHFFFAOYSA-N 1 1 306.410 3.146 20 5 DGBDMO Cc1ncc([N+](=O)[O-])n1CC[N@H+]1CC[C@]1(C)C1CCCCC1 ZINC001648139947 1195278512 /nfs/dbraw/zinc/27/85/12/1195278512.db2.gz UNIZMSVHSFBZGS-MRXNPFEDSA-N 1 1 306.410 3.144 20 5 DGBDMO O=[N+]([O-])c1cc(F)ccc1C[N@@H+]1CCCC[C@@H]1[C@@H]1CCCO1 ZINC001648616703 1195315355 /nfs/dbraw/zinc/31/53/55/1195315355.db2.gz FQSIWCRFIXIXNQ-ZBFHGGJFSA-N 1 1 308.353 3.267 20 5 DGBDMO O=[N+]([O-])c1cc(F)ccc1C[N@H+]1CCCC[C@@H]1[C@@H]1CCCO1 ZINC001648616703 1195315359 /nfs/dbraw/zinc/31/53/59/1195315359.db2.gz FQSIWCRFIXIXNQ-ZBFHGGJFSA-N 1 1 308.353 3.267 20 5 DGBDMO Cc1cc(N[C@@H]2CCC[N@H+]3CCCC[C@@H]23)c(F)cc1[N+](=O)[O-] ZINC001651993357 1195533829 /nfs/dbraw/zinc/53/38/29/1195533829.db2.gz QCAAPMTWSCSFQC-HIFRSBDPSA-N 1 1 307.369 3.471 20 5 DGBDMO Cc1ccc(NCCNc2ccc([N+](=O)[O-])cc2Cl)[nH+]c1 ZINC001652257855 1195571079 /nfs/dbraw/zinc/57/10/79/1195571079.db2.gz CUAVLGSDJZBJGV-UHFFFAOYSA-N 1 1 306.753 3.476 20 5 DGBDMO CO[C@H]1C[C@@H]([N@@H+](C)Cc2ccc(C(F)(F)F)cc2[N+](=O)[O-])C1 ZINC001652436756 1195596506 /nfs/dbraw/zinc/59/65/06/1195596506.db2.gz MIAKVOFPWSCFGJ-TXEJJXNPSA-N 1 1 318.295 3.223 20 5 DGBDMO O=[N+]([O-])c1ccc(OC2C[NH+](Cc3cccc4c3CCC4)C2)cc1 ZINC001652628239 1195629106 /nfs/dbraw/zinc/62/91/06/1195629106.db2.gz JZLSDHLILKACFU-UHFFFAOYSA-N 1 1 324.380 3.347 20 5 DGBDMO C[C@@H](C[NH2+]Cc1ccc(O)c(F)c1F)c1ccccc1[N+](=O)[O-] ZINC001653171925 1195694806 /nfs/dbraw/zinc/69/48/06/1195694806.db2.gz RLOYDOYZMWAGAM-JTQLQIEISA-N 1 1 322.311 3.472 20 5 DGBDMO CCOC(=O)[C@H](CC)[N@@H+]1CCC[C@H](c2ccc([N+](=O)[O-])cc2)C1 ZINC001653648696 1195740815 /nfs/dbraw/zinc/74/08/15/1195740815.db2.gz HLYICPUXGKSWFA-HOCLYGCPSA-N 1 1 320.389 3.116 20 5 DGBDMO CCOC(=O)[C@H](CC)[N@H+]1CCC[C@H](c2ccc([N+](=O)[O-])cc2)C1 ZINC001653648696 1195740818 /nfs/dbraw/zinc/74/08/18/1195740818.db2.gz HLYICPUXGKSWFA-HOCLYGCPSA-N 1 1 320.389 3.116 20 5 DGBDMO Cc1ccc2c(c1)C[N@H+](CCOc1ccc([N+](=O)[O-])cc1)CC2 ZINC001654997086 1195862451 /nfs/dbraw/zinc/86/24/51/1195862451.db2.gz OELNKNMHTAHPOO-UHFFFAOYSA-N 1 1 312.369 3.340 20 5 DGBDMO Cc1cc([N+](=O)[O-])ccc1NC(=O)C[N@H+](C)C[C@@H](C)C(C)(C)C ZINC001655535978 1195928879 /nfs/dbraw/zinc/92/88/79/1195928879.db2.gz SZVNWWYKWMXDRZ-CYBMUJFWSA-N 1 1 321.421 3.456 20 5 DGBDMO CC[N@@H+]1[C@H](C)CN(c2ncc([N+](=O)[O-])c3ccccc32)C[C@@H]1C ZINC001655801400 1195964499 /nfs/dbraw/zinc/96/44/99/1195964499.db2.gz CKCJDYLNBSZPEJ-BETUJISGSA-N 1 1 314.389 3.062 20 5 DGBDMO CC1(C)CC[N@@H+](CCNc2ccc3cnccc3c2[N+](=O)[O-])C1 ZINC001655940294 1195980617 /nfs/dbraw/zinc/98/06/17/1195980617.db2.gz NSKKDHQDPWVMSV-UHFFFAOYSA-N 1 1 314.389 3.287 20 5 DGBDMO Cc1ccc([N+](=O)[O-])c(C)c1CN[C@H](C)C[N@@H+]1CCC[C@H](C)C1 ZINC001656947320 1196085745 /nfs/dbraw/zinc/08/57/45/1196085745.db2.gz UCSIVRNSMNXZLU-DZGCQCFKSA-N 1 1 319.449 3.422 20 5 DGBDMO Cc1ccc([N+](=O)[O-])c(C)c1CN[C@H](C)C[N@H+]1CCC[C@H](C)C1 ZINC001656947320 1196085747 /nfs/dbraw/zinc/08/57/47/1196085747.db2.gz UCSIVRNSMNXZLU-DZGCQCFKSA-N 1 1 319.449 3.422 20 5 DGBDMO Cc1ccc([N+](=O)[O-])c(C)c1CN[C@H](C)C[NH+]1CCC(C)CC1 ZINC001658281542 1196235422 /nfs/dbraw/zinc/23/54/22/1196235422.db2.gz PAQXUIPEZCMOEV-OAHLLOKOSA-N 1 1 319.449 3.422 20 5 DGBDMO COc1ccc(OCC[N@@H+](C)[C@H]2CCC(C)(C)C2)c([N+](=O)[O-])c1 ZINC001658515763 1196268206 /nfs/dbraw/zinc/26/82/06/1196268206.db2.gz MYFJBGISVVPYHE-ZDUSSCGKSA-N 1 1 322.405 3.493 20 5 DGBDMO C[N@H+]1CCN(Cc2ccc([N+](=O)[O-])c(Cl)c2)CCC1(C)C ZINC001659761585 1196412530 /nfs/dbraw/zinc/41/25/30/1196412530.db2.gz QNDDLDDWGPKHBK-UHFFFAOYSA-N 1 1 311.813 3.164 20 5 DGBDMO CC(C)(C)[C@H]1CC[N@@H+](CCOc2ccc([N+](=O)[O-])cc2)CCO1 ZINC001660683006 1196511806 /nfs/dbraw/zinc/51/18/06/1196511806.db2.gz OCFQOKSZTGXLED-MRXNPFEDSA-N 1 1 322.405 3.111 20 5 DGBDMO CC(C)(C)[C@@H]1CC[N@@H+](CCOc2ccccc2[N+](=O)[O-])CCO1 ZINC001660682731 1196512262 /nfs/dbraw/zinc/51/22/62/1196512262.db2.gz HZYAELMLNCLGEI-INIZCTEOSA-N 1 1 322.405 3.111 20 5 DGBDMO COc1ccc(C[NH2+]Cc2cc(O)cc(Cl)c2)cc1[N+](=O)[O-] ZINC001661340166 1196596213 /nfs/dbraw/zinc/59/62/13/1196596213.db2.gz NFYMTZFUBDEQQA-UHFFFAOYSA-N 1 1 322.748 3.252 20 5 DGBDMO CC[NH+]1CC[C@@H]([N@H+](C)Cc2c(C)ccc([N+](=O)[O-])c2C)[C@H](C)C1 ZINC001663596023 1196910272 /nfs/dbraw/zinc/91/02/72/1196910272.db2.gz VUEPURWVOCGLFI-RHSMWYFYSA-N 1 1 319.449 3.374 20 5 DGBDMO CC[NH+]1CC[C@@H]([N@@H+](C)Cc2c(C)ccc([N+](=O)[O-])c2C)[C@H](C)C1 ZINC001663596023 1196910275 /nfs/dbraw/zinc/91/02/75/1196910275.db2.gz VUEPURWVOCGLFI-RHSMWYFYSA-N 1 1 319.449 3.374 20 5 DGBDMO CCN1CC[C@@H]([N@H+](C)Cc2c(C)ccc([N+](=O)[O-])c2C)[C@H](C)C1 ZINC001663596023 1196910276 /nfs/dbraw/zinc/91/02/76/1196910276.db2.gz VUEPURWVOCGLFI-RHSMWYFYSA-N 1 1 319.449 3.374 20 5 DGBDMO CCN1CC[C@@H]([N@@H+](C)Cc2c(C)ccc([N+](=O)[O-])c2C)[C@H](C)C1 ZINC001663596023 1196910278 /nfs/dbraw/zinc/91/02/78/1196910278.db2.gz VUEPURWVOCGLFI-RHSMWYFYSA-N 1 1 319.449 3.374 20 5 DGBDMO CC[C@@H]1CCC[N@@H+](Cc2ccc(O)c(OC)c2[N+](=O)[O-])CC1 ZINC001663624382 1196916293 /nfs/dbraw/zinc/91/62/93/1196916293.db2.gz UFKVQNHOGBSOCN-GFCCVEGCSA-N 1 1 308.378 3.321 20 5 DGBDMO Cc1cc(NC(=O)[C@@H](C)[N@@H+]2[C@H](C)CC[C@@H]2C)cc([N+](=O)[O-])c1 ZINC001648794279 1081772347 /nfs/dbraw/zinc/77/23/47/1081772347.db2.gz GHLQRSFBUFXBIK-FRRDWIJNSA-N 1 1 305.378 3.103 20 5 DGBDMO COc1ccc(C[C@H](C)[N@@H+](C)C2CC(F)(F)C2)c([N+](=O)[O-])c1 ZINC001170327237 1082346693 /nfs/dbraw/zinc/34/66/93/1082346693.db2.gz GHYKGDKUVOLRAT-JTQLQIEISA-N 1 1 314.332 3.264 20 5 DGBDMO COc1ccc(C[C@H](C)[N@H+]2CCC[C@H](F)CC2)c([N+](=O)[O-])c1 ZINC001170328383 1082347689 /nfs/dbraw/zinc/34/76/89/1082347689.db2.gz KGZYQAZUCAFMTD-JSGCOSHPSA-N 1 1 310.369 3.358 20 5 DGBDMO COC[C@@H]1CCCC[N@H+]1[C@H](C)Cc1ccc(OC)cc1[N+](=O)[O-] ZINC001170335159 1082348957 /nfs/dbraw/zinc/34/89/57/1082348957.db2.gz LVZJQXAMAKRBRU-HIFRSBDPSA-N 1 1 322.405 3.035 20 5 DGBDMO CC[N@@H+]([C@@H](C)Cc1ccc(OC)cc1[N+](=O)[O-])C1CCOCC1 ZINC001170345444 1082356603 /nfs/dbraw/zinc/35/66/03/1082356603.db2.gz KQXZSLOZKKKVJS-ZDUSSCGKSA-N 1 1 322.405 3.035 20 5 DGBDMO Cc1cc(Cl)nc(N2CC[N@H+](C)CC23CCCC3)c1[N+](=O)[O-] ZINC001158409238 1087820446 /nfs/dbraw/zinc/82/04/46/1087820446.db2.gz YDZFPDFVEZTHNP-UHFFFAOYSA-N 1 1 324.812 3.016 20 5 DGBDMO Clc1ccc2ccc3ccc(N4CC[N@H+]5CC[C@@H]5C4)nc3c2n1 ZINC001158432300 1087832748 /nfs/dbraw/zinc/83/27/48/1087832748.db2.gz JANBMGKBFGFUSO-CQSZACIVSA-N 1 1 324.815 3.331 20 5 DGBDMO C[NH+](C)/C=C/c1cc(NC2CC3(CCC3)C2)ncc1[N+](=O)[O-] ZINC001161447685 1089249963 /nfs/dbraw/zinc/24/99/63/1089249963.db2.gz ZWRZGDOXWJOVRT-QPJJXVBHSA-N 1 1 302.378 3.267 20 5 DGBDMO Cc1[nH+]ccn1CCNc1cc(C)c2cc([N+](=O)[O-])ccc2n1 ZINC001156002107 1089339338 /nfs/dbraw/zinc/33/93/38/1089339338.db2.gz QQJINPNKOSHAOR-UHFFFAOYSA-N 1 1 311.345 3.068 20 5 DGBDMO O=[N+]([O-])c1cccc2ccc(NCc3[nH+]cn4ccccc34)nc21 ZINC001161684569 1089346029 /nfs/dbraw/zinc/34/60/29/1089346029.db2.gz WGSQUPNSWBCFQD-UHFFFAOYSA-N 1 1 319.324 3.403 20 5 DGBDMO C[N@H+]1CCC[C@@H](CCNc2ccc3c(cccc3[N+](=O)[O-])n2)C1 ZINC001156377529 1089494253 /nfs/dbraw/zinc/49/42/53/1089494253.db2.gz AFIIJEGFLCPQSQ-ZDUSSCGKSA-N 1 1 314.389 3.287 20 5 DGBDMO CC(C)[N@H+]1CC[C@@H](Nc2cc(Cl)ncc2[N+](=O)[O-])[C@H](C)C1 ZINC001163362762 1090163538 /nfs/dbraw/zinc/16/35/38/1090163538.db2.gz NYJWHHWYYIGDTF-GHMZBOCLSA-N 1 1 312.801 3.174 20 5 DGBDMO O=[N+]([O-])c1cccnc1NC[C@@H]1CC[N@H+]1C1CCCCCC1 ZINC001163942422 1090293036 /nfs/dbraw/zinc/29/30/36/1090293036.db2.gz XJZFADNVAVGOLS-AWEZNQCLSA-N 1 1 304.394 3.199 20 5 DGBDMO CC(C)[N@H+]1CCN(c2ccc3ccc([N+](=O)[O-])cc3n2)C[C@H]1C ZINC001165199394 1090477101 /nfs/dbraw/zinc/47/71/01/1090477101.db2.gz STXANUIEXLHYMP-CYBMUJFWSA-N 1 1 314.389 3.062 20 5 DGBDMO CSCC[C@H]([NH3+])c1nc(-c2cc(C)c([N+](=O)[O-])cc2C)no1 ZINC001118243701 1091369770 /nfs/dbraw/zinc/36/97/70/1091369770.db2.gz YZNFRGSPOAAVDU-NSHDSACASA-N 1 1 322.390 3.015 20 5 DGBDMO O=[N+]([O-])C[C@@H]1CC[C@@H]([N@H+]2CCC[C@@H](Cc3ccccc3)C2)C1 ZINC001169027894 1092493837 /nfs/dbraw/zinc/49/38/37/1092493837.db2.gz RMZOOGJVWFYKIW-RCCFBDPRSA-N 1 1 302.418 3.387 20 5 DGBDMO O=[N+]([O-])C[C@@H]1CC[C@H]([N@H+]2CCC[C@@H](Sc3ccncc3)C2)C1 ZINC001169033314 1092496245 /nfs/dbraw/zinc/49/62/45/1092496245.db2.gz BWSCCILUALCDEZ-IJEWVQPXSA-N 1 1 321.446 3.084 20 5 DGBDMO COc1cccc(CCC[N@@H+](C)[C@@H]2CC[C@H](C[N+](=O)[O-])C2)c1 ZINC001169038809 1092500759 /nfs/dbraw/zinc/50/07/59/1092500759.db2.gz KNTPWFNOUGMTDC-JKSUJKDBSA-N 1 1 306.406 3.005 20 5 DGBDMO O=[N+]([O-])C[C@@H]1CC[C@@H]([N@H+]2CC[C@H](Sc3ccc(F)cc3)C2)C1 ZINC001169046325 1092507734 /nfs/dbraw/zinc/50/77/34/1092507734.db2.gz KNEZAFKHAPIUAI-XPKDYRNWSA-N 1 1 324.421 3.438 20 5 DGBDMO O=[N+]([O-])C[C@@H]1CC[C@H]([N@H+]2CC[C@H](Sc3ccc(F)cc3)C2)C1 ZINC001169046323 1092508264 /nfs/dbraw/zinc/50/82/64/1092508264.db2.gz KNEZAFKHAPIUAI-INWMFGNUSA-N 1 1 324.421 3.438 20 5 DGBDMO O=[N+]([O-])c1cc(Nc2cc[nH+]cc2C(F)(F)F)ccc1F ZINC001211188706 1093410186 /nfs/dbraw/zinc/41/01/86/1093410186.db2.gz NGHIZQAKRBRIIW-UHFFFAOYSA-N 1 1 301.199 3.313 20 5 DGBDMO O=[N+]([O-])c1cccc(-c2ccc(O[C@H]3C[NH2+]CC3(F)F)cc2)c1 ZINC001218235188 1094669609 /nfs/dbraw/zinc/66/96/09/1094669609.db2.gz AFNXZUVFSNJKLL-HNNXBMFYSA-N 1 1 320.295 3.248 20 5 DGBDMO C[C@H]1C[N@H+](C2CC2)C[C@H]1Nc1nccc2cc([N+](=O)[O-])ccc21 ZINC001337066211 1094840483 /nfs/dbraw/zinc/84/04/83/1094840483.db2.gz FUWDCYIONANMSX-MEDUHNTESA-N 1 1 312.373 3.038 20 5 DGBDMO C[NH+](C)[C@@H]1CCCC[C@H]1N[C@H]1CCc2c1cccc2[N+](=O)[O-] ZINC001118325038 1095983424 /nfs/dbraw/zinc/98/34/24/1095983424.db2.gz BTYGDOIXXBWLEL-ZMSDIMECSA-N 1 1 303.406 3.045 20 5 DGBDMO O=[N+]([O-])c1ccc(CO[C@H]2CCc3[nH+]ccn3C2)c2ccccc21 ZINC001224205696 1096162760 /nfs/dbraw/zinc/16/27/60/1096162760.db2.gz JXNFWNZFSOYYEO-AWEZNQCLSA-N 1 1 323.352 3.476 20 5 DGBDMO CC[N@H+]1CC[C@@H](Oc2ccc([N+](=O)[O-])c(C(F)(F)F)c2)C1 ZINC001225918727 1096564844 /nfs/dbraw/zinc/56/48/44/1096564844.db2.gz LQEAJKKAFPIMRP-SNVBAGLBSA-N 1 1 304.268 3.087 20 5 DGBDMO Cc1ccnc(O[C@H]2C[C@H]3CC[C@@H](C2)[N@@H+]3C(C)C)c1[N+](=O)[O-] ZINC001226118421 1096616652 /nfs/dbraw/zinc/61/66/52/1096616652.db2.gz KYAWOGDGXRSZGF-WDNDVIMCSA-N 1 1 305.378 3.081 20 5 DGBDMO CC(C)[N@H+]1CC[C@@H](Oc2cc(C(F)(F)F)ccc2[N+](=O)[O-])C1 ZINC001226304321 1096657336 /nfs/dbraw/zinc/65/73/36/1096657336.db2.gz XZSNCHRZQWHFPQ-LLVKDONJSA-N 1 1 318.295 3.475 20 5 DGBDMO O=[N+]([O-])c1ccc(O[C@@H]2CCc3[nH+]ccn3C2)c2ccccc21 ZINC001226509112 1096707961 /nfs/dbraw/zinc/70/79/61/1096707961.db2.gz LEMKZMUVENGHOK-GFCCVEGCSA-N 1 1 309.325 3.338 20 5 DGBDMO CC(=O)c1cc([N+](=O)[O-])ccc1O[C@@H]1CCC[N@H+](C(C)C)C1 ZINC001226532662 1096715702 /nfs/dbraw/zinc/71/57/02/1096715702.db2.gz WCAZYYZARYVMSG-CQSZACIVSA-N 1 1 306.362 3.049 20 5 DGBDMO CC(C)(C)[NH+]1CC(Oc2ccc(C(F)(F)F)c([N+](=O)[O-])c2)C1 ZINC001226964069 1096829932 /nfs/dbraw/zinc/82/99/32/1096829932.db2.gz KTXBYGLTDAMWPF-UHFFFAOYSA-N 1 1 318.295 3.475 20 5 DGBDMO CC[N@H+]1CC[C@@H](Oc2ccc(C(F)(F)F)c([N+](=O)[O-])c2)C1 ZINC001226964632 1096830032 /nfs/dbraw/zinc/83/00/32/1096830032.db2.gz PRKOXEPMDSQREA-SNVBAGLBSA-N 1 1 304.268 3.087 20 5 DGBDMO C[N@H+]1CCC[C@@H](Oc2ccc(C(F)(F)F)c([N+](=O)[O-])c2)CC1 ZINC001226965466 1096830323 /nfs/dbraw/zinc/83/03/23/1096830323.db2.gz ZBIPAIISVKEESQ-SNVBAGLBSA-N 1 1 318.295 3.477 20 5 DGBDMO C[C@@H](c1ccccc1[N+](=O)[O-])N1CC[N@@H+](C)[C@H](C(C)(C)C)C1 ZINC001171653644 1096940302 /nfs/dbraw/zinc/94/03/02/1096940302.db2.gz LVFNRDYQATUXMD-BBRMVZONSA-N 1 1 305.422 3.318 20 5 DGBDMO C[C@@H](c1ccccc1[N+](=O)[O-])[N@@H+]1CCN(C)[C@H](C(C)(C)C)C1 ZINC001171653644 1096940305 /nfs/dbraw/zinc/94/03/05/1096940305.db2.gz LVFNRDYQATUXMD-BBRMVZONSA-N 1 1 305.422 3.318 20 5 DGBDMO CO[C@@H]1CC[N@@H+](CCOc2cccc3cc4ccccc4nc32)C1 ZINC001228175358 1097067832 /nfs/dbraw/zinc/06/78/32/1097067832.db2.gz DGFDHFIESIPXMU-QGZVFWFLSA-N 1 1 322.408 3.488 20 5 DGBDMO O=[N+]([O-])c1ccc(OC2CC[NH+](CCF)CC2)cc1Cl ZINC001228758631 1097184147 /nfs/dbraw/zinc/18/41/47/1097184147.db2.gz HCKKFARGUYAIAD-UHFFFAOYSA-N 1 1 302.733 3.061 20 5 DGBDMO C[N@H+]1CCC[C@@H](Oc2c([N+](=O)[O-])cccc2C(F)(F)F)C1 ZINC001228930392 1097219752 /nfs/dbraw/zinc/21/97/52/1097219752.db2.gz LFLCDKSPCOHMLY-SECBINFHSA-N 1 1 304.268 3.087 20 5 DGBDMO CC(=O)c1cccc(O[C@@H]2CCC[N@H+](C(C)C)C2)c1[N+](=O)[O-] ZINC001229139359 1097262574 /nfs/dbraw/zinc/26/25/74/1097262574.db2.gz XVVPOHWNKWIORH-CYBMUJFWSA-N 1 1 306.362 3.049 20 5 DGBDMO O=[N+]([O-])c1ccc2c(c1)CC[C@H]([N@H+]1C[C@@H]3C[C@@H]3[C@H](F)C1)CC2 ZINC001172902415 1097268203 /nfs/dbraw/zinc/26/82/03/1097268203.db2.gz BGXXFDSNVBRFMJ-HDEZJCGLSA-N 1 1 304.365 3.132 20 5 DGBDMO CCC(=O)c1cc([N+](=O)[O-])ccc1O[C@@H]1CC[N@H+](C(C)C)C1 ZINC001229179432 1097272016 /nfs/dbraw/zinc/27/20/16/1097272016.db2.gz LKHHZJWFOMLXMS-CYBMUJFWSA-N 1 1 306.362 3.049 20 5 DGBDMO CCC(=O)c1cc([N+](=O)[O-])ccc1O[C@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC001229178278 1097272029 /nfs/dbraw/zinc/27/20/29/1097272029.db2.gz UHNYIOFZFBKKCY-IMRBUKKESA-N 1 1 318.373 3.192 20 5 DGBDMO CCC(=O)c1cc([N+](=O)[O-])ccc1O[C@@H]1CCC[N@H+](C(C)C)C1 ZINC001229179485 1097272223 /nfs/dbraw/zinc/27/22/23/1097272223.db2.gz MLGRWXBSJNDHTF-CQSZACIVSA-N 1 1 320.389 3.439 20 5 DGBDMO CNCC[N@H+]([C@@H]1CCc2ccc([N+](=O)[O-])cc2CC1)C(C)(C)C ZINC001172913702 1097278489 /nfs/dbraw/zinc/27/84/89/1097278489.db2.gz UKDJZFISDCFHRR-MRXNPFEDSA-N 1 1 319.449 3.162 20 5 DGBDMO CNCC[N@@H+]([C@@H]1CCc2ccc([N+](=O)[O-])cc2CC1)C(C)(C)C ZINC001172913702 1097278492 /nfs/dbraw/zinc/27/84/92/1097278492.db2.gz UKDJZFISDCFHRR-MRXNPFEDSA-N 1 1 319.449 3.162 20 5 DGBDMO 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O=[N+]([O-])c1ccc2c(c1)C[N@H+](C[C@@H]1CCCC3(CCC3)O1)CC2 ZINC001307524808 1111310568 /nfs/dbraw/zinc/31/05/68/1111310568.db2.gz ZZGQNDYZWGATAT-KRWDZBQOSA-N 1 1 316.401 3.445 20 5 DGBDMO CCC[N@H+](Cc1ccc(C)c([N+](=O)[O-])c1)[C@@H](CC)C(=O)OCC ZINC001307681124 1111327567 /nfs/dbraw/zinc/32/75/67/1111327567.db2.gz WIJDPWSTIPCYLQ-HNNXBMFYSA-N 1 1 322.405 3.457 20 5 DGBDMO CCC[N@@H+](Cc1ccc(C)c([N+](=O)[O-])c1)[C@@H](CC)C(=O)OCC ZINC001307681124 1111327569 /nfs/dbraw/zinc/32/75/69/1111327569.db2.gz WIJDPWSTIPCYLQ-HNNXBMFYSA-N 1 1 322.405 3.457 20 5 DGBDMO O=[N+]([O-])c1cc(Cl)ccc1C[N@@H+]1CCC[C@@H]1[C@@H]1CCC[C@H]1O ZINC000318512327 231171865 /nfs/dbraw/zinc/17/18/65/231171865.db2.gz YHJZKVSZDFBIDP-SQWLQELKSA-N 1 1 324.808 3.374 20 5 DGBDMO COc1cc(C[N@H+]2CCC[C@@H]2C2CCC2)c([N+](=O)[O-])cc1OC ZINC000092780994 185340197 /nfs/dbraw/zinc/34/01/97/185340197.db2.gz LRPFFVQNZOOKIH-CQSZACIVSA-N 1 1 320.389 3.377 20 5 DGBDMO C[N@@H+](CCn1ccc([N+](=O)[O-])n1)[C@@H]1CCC[C@@H]1c1ccccc1 ZINC000297408697 529939852 /nfs/dbraw/zinc/93/98/52/529939852.db2.gz CRKOWXBIVJJDCK-HZPDHXFCSA-N 1 1 314.389 3.059 20 5 DGBDMO CC(C)C[C@@H]1CCC[N@H+]1Cc1cc([N+](=O)[O-])cc2c1OCOC2 ZINC000130342614 432021726 /nfs/dbraw/zinc/02/17/26/432021726.db2.gz ANSKZAUXEDQYBZ-HNNXBMFYSA-N 1 1 320.389 3.472 20 5 DGBDMO Cn1ccnc1[C@@H]([NH2+][C@@H]1CC=CCC1)c1ccc([N+](=O)[O-])cc1 ZINC000272536199 209946832 /nfs/dbraw/zinc/94/68/32/209946832.db2.gz OCSZEBRUVSNFMG-ZBFHGGJFSA-N 1 1 312.373 3.116 20 5 DGBDMO CCOC[C@@H]1CCC[N@@H+](CCCOc2ccc([N+](=O)[O-])cc2)C1 ZINC000072975483 191260851 /nfs/dbraw/zinc/26/08/51/191260851.db2.gz WCNUTRRVMKQFSN-OAHLLOKOSA-N 1 1 322.405 3.112 20 5 DGBDMO O=[N+]([O-])c1ccc(C[NH+]2CCC(c3cc[nH]n3)CC2)c(Cl)c1 ZINC000182108494 199387243 /nfs/dbraw/zinc/38/72/43/199387243.db2.gz NEJWSBLQZLAVRO-UHFFFAOYSA-N 1 1 320.780 3.351 20 5 DGBDMO Cc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@@H+]1CCCC[C@H]1C ZINC000067960847 432047456 /nfs/dbraw/zinc/04/74/56/432047456.db2.gz DMAPLEROKLBBMB-CYBMUJFWSA-N 1 1 305.378 3.106 20 5 DGBDMO Cc1ccc([N+](=O)[O-])cc1[C@@H](C)NCC[N@@H+](C)C1CCCC1 ZINC000133252336 432059014 /nfs/dbraw/zinc/05/90/14/432059014.db2.gz NHODLBRMHJLCNX-CQSZACIVSA-N 1 1 305.422 3.428 20 5 DGBDMO Cc1ccc([N+](=O)[O-])cc1[C@@H](C)[NH2+]CCN(C)C1CCCC1 ZINC000133252336 432059016 /nfs/dbraw/zinc/05/90/16/432059016.db2.gz NHODLBRMHJLCNX-CQSZACIVSA-N 1 1 305.422 3.428 20 5 DGBDMO Cc1c([C@@H](C)N[C@@H]2C[C@H](C)[N@@H+](C3CC3)C2)cccc1[N+](=O)[O-] ZINC000166281257 432059909 /nfs/dbraw/zinc/05/99/09/432059909.db2.gz ZHINZWBZWUOYPJ-IACUBPJLSA-N 1 1 303.406 3.179 20 5 DGBDMO Cc1c([C@@H](C)N[C@@H]2C[C@H](C)[N@H+](C3CC3)C2)cccc1[N+](=O)[O-] ZINC000166281257 432059910 /nfs/dbraw/zinc/05/99/10/432059910.db2.gz ZHINZWBZWUOYPJ-IACUBPJLSA-N 1 1 303.406 3.179 20 5 DGBDMO Cc1noc(C)c1CC[N@@H+](Cc1cccc([N+](=O)[O-])c1)C1CC1 ZINC000166734819 432062176 /nfs/dbraw/zinc/06/21/76/432062176.db2.gz GYGQLLROVIYGHV-UHFFFAOYSA-N 1 1 315.373 3.407 20 5 DGBDMO CCOc1cc(C[N@H+](CC)Cc2ccccn2)ccc1[N+](=O)[O-] ZINC000276907484 213166444 /nfs/dbraw/zinc/16/64/44/213166444.db2.gz MSWBHLAKIXWJNR-UHFFFAOYSA-N 1 1 315.373 3.411 20 5 DGBDMO CCOc1cc(C[N@@H+](CC)Cc2ccccn2)ccc1[N+](=O)[O-] ZINC000276907484 213166447 /nfs/dbraw/zinc/16/64/47/213166447.db2.gz MSWBHLAKIXWJNR-UHFFFAOYSA-N 1 1 315.373 3.411 20 5 DGBDMO CCc1nn(C)cc1C[N@H+](Cc1cccc([N+](=O)[O-])c1)C1CC1 ZINC000179695182 432067664 /nfs/dbraw/zinc/06/76/64/432067664.db2.gz AFEOPGLGLFVQGZ-UHFFFAOYSA-N 1 1 314.389 3.055 20 5 DGBDMO CCc1nn(C)cc1C[N@@H+](Cc1cccc([N+](=O)[O-])c1)C1CC1 ZINC000179695182 432067666 /nfs/dbraw/zinc/06/76/66/432067666.db2.gz AFEOPGLGLFVQGZ-UHFFFAOYSA-N 1 1 314.389 3.055 20 5 DGBDMO C[N@H+](Cc1ccc(-c2cccc([N+](=O)[O-])c2)o1)C[C@H]1CCOC1 ZINC000180159756 199124993 /nfs/dbraw/zinc/12/49/93/199124993.db2.gz PLPITVTVVHIGSG-CYBMUJFWSA-N 1 1 316.357 3.323 20 5 DGBDMO Cc1c([C@H](C)[NH2+]C2CCN(C(C)C)CC2)cccc1[N+](=O)[O-] ZINC000180402556 199154262 /nfs/dbraw/zinc/15/42/62/199154262.db2.gz NPIXYSUXEKHWIF-AWEZNQCLSA-N 1 1 305.422 3.427 20 5 DGBDMO C[C@H](Nc1nc2ccccc2cc1[N+](=O)[O-])C1=CC[N@@H+](C)CC1 ZINC000276648783 213022000 /nfs/dbraw/zinc/02/20/00/213022000.db2.gz QLDDQMSXEKECMF-LBPRGKRZSA-N 1 1 312.373 3.205 20 5 DGBDMO Cn1cc(C[NH2+][C@@H](c2ccccc2)c2cccc([N+](=O)[O-])c2)cn1 ZINC000180207718 432081208 /nfs/dbraw/zinc/08/12/08/432081208.db2.gz ACCCKECHYSQSPN-SFHVURJKSA-N 1 1 322.368 3.208 20 5 DGBDMO C[C@@H]1CCCC[N@@H+](Cc2nnc(-c3ccc([N+](=O)[O-])cc3)o2)C1 ZINC000187925244 200177355 /nfs/dbraw/zinc/17/73/55/200177355.db2.gz BZALTWSUBAVHCH-GFCCVEGCSA-N 1 1 316.361 3.267 20 5 DGBDMO COc1ccc(C[N@H+]2CCS[C@H]3CCCC[C@H]32)cc1[N+](=O)[O-] ZINC000246074800 432091548 /nfs/dbraw/zinc/09/15/48/432091548.db2.gz DBPQPTMZHKFCTM-CJNGLKHVSA-N 1 1 322.430 3.463 20 5 DGBDMO Cc1cc(N2CCC[C@H](c3[nH]cc[nH+]3)C2)c(F)cc1[N+](=O)[O-] ZINC000292518991 223121851 /nfs/dbraw/zinc/12/18/51/223121851.db2.gz GYHUMXVZBBYDDJ-NSHDSACASA-N 1 1 304.325 3.149 20 5 DGBDMO Cc1cc(N2CCC(c3[nH]cc[nH+]3)CC2)c(F)cc1[N+](=O)[O-] ZINC000292733906 223223828 /nfs/dbraw/zinc/22/38/28/223223828.db2.gz UTQBQGWHSQMLDN-UHFFFAOYSA-N 1 1 304.325 3.149 20 5 DGBDMO CC[N@H+]1CCC[C@H]1CNc1ccc2ncccc2c1[N+](=O)[O-] ZINC000193333792 201032444 /nfs/dbraw/zinc/03/24/44/201032444.db2.gz XFJKAFZYIDKTMN-LBPRGKRZSA-N 1 1 300.362 3.039 20 5 DGBDMO COc1ccc(C[N@@H+](C)CCc2cccs2)cc1[N+](=O)[O-] ZINC000171040871 432096647 /nfs/dbraw/zinc/09/66/47/432096647.db2.gz SJAJHNMVSRXSMK-UHFFFAOYSA-N 1 1 306.387 3.339 20 5 DGBDMO O=[N+]([O-])c1ccc(C[N@H+]2CCC[C@@H]2C2CCC2)c([N+](=O)[O-])c1 ZINC000193836576 201131585 /nfs/dbraw/zinc/13/15/85/201131585.db2.gz UJFPJRLLWXUQNQ-CQSZACIVSA-N 1 1 305.334 3.268 20 5 DGBDMO O=[N+]([O-])c1cccc(OCC[N@@H+]2CCc3ccc(F)cc3C2)c1 ZINC000441052218 239005345 /nfs/dbraw/zinc/00/53/45/239005345.db2.gz SIUYAUXZBURUBH-UHFFFAOYSA-N 1 1 316.332 3.171 20 5 DGBDMO O=[N+]([O-])c1cccc(OCC[N@H+]2CCc3ccc(F)cc3C2)c1 ZINC000441052218 239005349 /nfs/dbraw/zinc/00/53/49/239005349.db2.gz SIUYAUXZBURUBH-UHFFFAOYSA-N 1 1 316.332 3.171 20 5 DGBDMO C[C@@H]1CCC[C@H]([N@@H+](C)Cc2nc3cc([N+](=O)[O-])ccc3[nH]2)C1 ZINC000444590687 239301092 /nfs/dbraw/zinc/30/10/92/239301092.db2.gz MFYDDNITOHUQEU-NEPJUHHUSA-N 1 1 302.378 3.482 20 5 DGBDMO COc1ccc(OCC[N@@H+](CC2CCC2)C(C)C)c([N+](=O)[O-])c1 ZINC000444770120 239348929 /nfs/dbraw/zinc/34/89/29/239348929.db2.gz YHUPAKRMLDLFNJ-UHFFFAOYSA-N 1 1 322.405 3.493 20 5 DGBDMO C[C@@H]1C[N@H+](Cc2nc3cc([N+](=O)[O-])ccc3[nH]2)CC(C)(C)C1 ZINC000444688440 239324633 /nfs/dbraw/zinc/32/46/33/239324633.db2.gz JUVNLQUUOKHKLU-NSHDSACASA-N 1 1 302.378 3.339 20 5 DGBDMO C[C@@H]1C[N@@H+](Cc2nc3cc([N+](=O)[O-])ccc3[nH]2)CC(C)(C)C1 ZINC000444688440 239324637 /nfs/dbraw/zinc/32/46/37/239324637.db2.gz JUVNLQUUOKHKLU-NSHDSACASA-N 1 1 302.378 3.339 20 5 DGBDMO Cc1ccc([N+](=O)[O-])cc1NC(=O)C[N@@H+]1CCC[C@@H](C(C)C)C1 ZINC000444754970 239344389 /nfs/dbraw/zinc/34/43/89/239344389.db2.gz VHNDIMMRXLYMSN-CQSZACIVSA-N 1 1 319.405 3.210 20 5 DGBDMO Cc1ncc(C[N@H+]2CCC[C@H](c3ccc([N+](=O)[O-])cc3)C2)cn1 ZINC000449494912 240246811 /nfs/dbraw/zinc/24/68/11/240246811.db2.gz BOYZVMDQOWWNIY-INIZCTEOSA-N 1 1 312.373 3.073 20 5 DGBDMO O=[N+]([O-])c1ccc([C@@H]2CCC[N@@H+](C[C@@H]3CCCOC3)C2)cc1 ZINC000449499640 240247867 /nfs/dbraw/zinc/24/78/67/240247867.db2.gz MJSVVWOCZXBIRC-GOEBONIOSA-N 1 1 304.390 3.201 20 5 DGBDMO Cc1c(C[N@H+]2CCC[C@@H](c3ccc([N+](=O)[O-])cc3)C2)cnn1C ZINC000449503559 240249835 /nfs/dbraw/zinc/24/98/35/240249835.db2.gz UHOJBIRDUIMSJN-OAHLLOKOSA-N 1 1 314.389 3.016 20 5 DGBDMO CCn1ccnc1C[N@@H+]1CCC[C@H](c2ccc([N+](=O)[O-])cc2)C1 ZINC000449502645 240251334 /nfs/dbraw/zinc/25/13/34/240251334.db2.gz RRPXVZCLVXXORV-HNNXBMFYSA-N 1 1 314.389 3.191 20 5 DGBDMO CCn1ccnc1C[N@H+]1CCC[C@H](c2ccc([N+](=O)[O-])cc2)C1 ZINC000449502645 240251337 /nfs/dbraw/zinc/25/13/37/240251337.db2.gz RRPXVZCLVXXORV-HNNXBMFYSA-N 1 1 314.389 3.191 20 5 DGBDMO O=[N+]([O-])c1ccccc1/C=C\C[N@H+]1CC[C@@H]2C[C@H](O)CC[C@@H]2C1 ZINC000449557067 240286771 /nfs/dbraw/zinc/28/67/71/240286771.db2.gz UETIWQGXUWGIEH-WLJOHKDUSA-N 1 1 316.401 3.091 20 5 DGBDMO C/C(=C\c1cccc([N+](=O)[O-])c1)C[NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC000449560052 240287755 /nfs/dbraw/zinc/28/77/55/240287755.db2.gz FKBXZNOBOGOERA-ASUYUQDCSA-N 1 1 315.417 3.213 20 5 DGBDMO C/C(=C\c1cccc([N+](=O)[O-])c1)CNC1C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC000449560052 240287762 /nfs/dbraw/zinc/28/77/62/240287762.db2.gz FKBXZNOBOGOERA-ASUYUQDCSA-N 1 1 315.417 3.213 20 5 DGBDMO C/C(=C\c1cccc([N+](=O)[O-])c1)CNC1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC000449560052 240287769 /nfs/dbraw/zinc/28/77/69/240287769.db2.gz FKBXZNOBOGOERA-ASUYUQDCSA-N 1 1 315.417 3.213 20 5 DGBDMO CO[C@@H]1CCC[N@@H+](Cc2ccc(-c3ccccc3[N+](=O)[O-])o2)C1 ZINC000091772508 193105225 /nfs/dbraw/zinc/10/52/25/193105225.db2.gz ANALREFAOQDKRX-CYBMUJFWSA-N 1 1 316.357 3.466 20 5 DGBDMO C[C@@H]1CN(Cc2c(Cl)cccc2[N+](=O)[O-])CC[N@H+](C2CC2)C1 ZINC000451089927 241002643 /nfs/dbraw/zinc/00/26/43/241002643.db2.gz FUVRTQRTVTVPAR-GFCCVEGCSA-N 1 1 323.824 3.164 20 5 DGBDMO C[C@@H]([NH2+]Cc1c([N+](=O)[O-])ncn1C)c1cccc(C2CC2)c1 ZINC000451115789 241012066 /nfs/dbraw/zinc/01/20/66/241012066.db2.gz PZHNKCBXLOPIDN-LLVKDONJSA-N 1 1 300.362 3.057 20 5 DGBDMO Cc1ccccc1CC[N@H+](C)Cc1nc2cc([N+](=O)[O-])ccc2[nH]1 ZINC000451166673 241028870 /nfs/dbraw/zinc/02/88/70/241028870.db2.gz PBRRXXQGWQUULN-UHFFFAOYSA-N 1 1 324.384 3.454 20 5 DGBDMO Cc1cc(C[N@@H+]2CCC[C@@H](c3ccc([N+](=O)[O-])cc3)C2)no1 ZINC000451548747 241167609 /nfs/dbraw/zinc/16/76/09/241167609.db2.gz OGBMOJDCFWBTOU-CQSZACIVSA-N 1 1 301.346 3.271 20 5 DGBDMO Cc1cc(C[N@H+]2CCC[C@@H](c3ccc([N+](=O)[O-])cc3)C2)no1 ZINC000451548747 241167616 /nfs/dbraw/zinc/16/76/16/241167616.db2.gz OGBMOJDCFWBTOU-CQSZACIVSA-N 1 1 301.346 3.271 20 5 DGBDMO O=[N+]([O-])c1ccc([C@H]2CCC[N@@H+](CCc3ccncc3)C2)cc1 ZINC000451545130 241167968 /nfs/dbraw/zinc/16/79/68/241167968.db2.gz GITLFKDABMKYNU-KRWDZBQOSA-N 1 1 311.385 3.412 20 5 DGBDMO O=[N+]([O-])c1ccc([C@@H]2CCC[N@@H+](CCOCC3CC3)C2)cc1 ZINC000451548098 241169066 /nfs/dbraw/zinc/16/90/66/241169066.db2.gz MQYHIKRZDUWAFD-MRXNPFEDSA-N 1 1 304.390 3.201 20 5 DGBDMO Cc1nnc(C[N@@H+]2CCC[C@H](c3ccc([N+](=O)[O-])cc3)C2)s1 ZINC000451553645 241170928 /nfs/dbraw/zinc/17/09/28/241170928.db2.gz YHBXVLTZHOEQNZ-ZDUSSCGKSA-N 1 1 318.402 3.134 20 5 DGBDMO Cc1nnc(C[N@H+]2CCC[C@H](c3ccc([N+](=O)[O-])cc3)C2)s1 ZINC000451553645 241170934 /nfs/dbraw/zinc/17/09/34/241170934.db2.gz YHBXVLTZHOEQNZ-ZDUSSCGKSA-N 1 1 318.402 3.134 20 5 DGBDMO C[C@H](c1cccc([N+](=O)[O-])c1)[N@H+]1CC[C@@H]2C[C@H](O)CC[C@H]2C1 ZINC000451701973 241211184 /nfs/dbraw/zinc/21/11/84/241211184.db2.gz HZCUGLCIKKHQLT-JJAZEVLHSA-N 1 1 304.390 3.139 20 5 DGBDMO O=[N+]([O-])c1cccc(OCC[N@H+]2CCC[C@]3(CCSC3)C2)c1 ZINC000451956892 241284007 /nfs/dbraw/zinc/28/40/07/241284007.db2.gz DMLZVQLOQRUODV-INIZCTEOSA-N 1 1 322.430 3.193 20 5 DGBDMO Cc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@H+]1[C@H](C)CCC1(C)C ZINC000452000433 241293899 /nfs/dbraw/zinc/29/38/99/241293899.db2.gz BRZBBIZJVGLJBC-CYBMUJFWSA-N 1 1 319.405 3.495 20 5 DGBDMO CCC[N@@H+](CCC(=O)Nc1cc([N+](=O)[O-])ccc1C)CC1CC1 ZINC000114724275 284110908 /nfs/dbraw/zinc/11/09/08/284110908.db2.gz CUVQWYAHYVGVBF-UHFFFAOYSA-N 1 1 319.405 3.354 20 5 DGBDMO C/C(=C/c1cccc([N+](=O)[O-])c1)CNC[C@@H](C)C[NH+]1CCCC1 ZINC000468654498 244058305 /nfs/dbraw/zinc/05/83/05/244058305.db2.gz YHKUJIKMLACUKA-DDITZMBXSA-N 1 1 317.433 3.320 20 5 DGBDMO CC[C@H](C)[N@H+](C)CCNC/C(C)=C\c1cccc([N+](=O)[O-])c1 ZINC000468647978 244058737 /nfs/dbraw/zinc/05/87/37/244058737.db2.gz IDNAVYREGIBAAE-SZGZABIGSA-N 1 1 305.422 3.318 20 5 DGBDMO CC[C@H](C)[N@@H+](C)CCNC/C(C)=C\c1cccc([N+](=O)[O-])c1 ZINC000468647978 244058741 /nfs/dbraw/zinc/05/87/41/244058741.db2.gz IDNAVYREGIBAAE-SZGZABIGSA-N 1 1 305.422 3.318 20 5 DGBDMO CCC[N@H+](CC)CCNC/C(C)=C\c1cccc([N+](=O)[O-])c1 ZINC000468748629 244063001 /nfs/dbraw/zinc/06/30/01/244063001.db2.gz UBIOLBOIAPZHDR-QINSGFPZSA-N 1 1 305.422 3.320 20 5 DGBDMO CCC[N@@H+](CC)CCNC/C(C)=C\c1cccc([N+](=O)[O-])c1 ZINC000468748629 244063006 /nfs/dbraw/zinc/06/30/06/244063006.db2.gz UBIOLBOIAPZHDR-QINSGFPZSA-N 1 1 305.422 3.320 20 5 DGBDMO CC[N@@H+](C)C[C@H]1CCN(C/C(C)=C/c2cccc([N+](=O)[O-])c2)C1 ZINC000470178628 244156893 /nfs/dbraw/zinc/15/68/93/244156893.db2.gz LQKFVYKUJFROMZ-IUYQLWOBSA-N 1 1 317.433 3.272 20 5 DGBDMO C/C(=C\c1cccc([N+](=O)[O-])c1)CN1CC[C@@H]2CC[N@H+](C)C[C@H]21 ZINC000470200599 244160415 /nfs/dbraw/zinc/16/04/15/244160415.db2.gz CADBISOUQFWTIP-JRIYGVKESA-N 1 1 315.417 3.024 20 5 DGBDMO C/C(=C\c1cccc([N+](=O)[O-])c1)C[N@H+]1CC[C@@H]2CCN(C)C[C@H]21 ZINC000470200599 244160420 /nfs/dbraw/zinc/16/04/20/244160420.db2.gz CADBISOUQFWTIP-JRIYGVKESA-N 1 1 315.417 3.024 20 5 DGBDMO C/C(=C\c1cccc([N+](=O)[O-])c1)C[N@@H+]1CC[C@@H]2CCN(C)C[C@H]21 ZINC000470200599 244160426 /nfs/dbraw/zinc/16/04/26/244160426.db2.gz CADBISOUQFWTIP-JRIYGVKESA-N 1 1 315.417 3.024 20 5 DGBDMO C[C@@H]1C[C@H](N(C)Cc2c(Cl)cccc2[N+](=O)[O-])CC[N@H+]1C ZINC000119285537 284139443 /nfs/dbraw/zinc/13/94/43/284139443.db2.gz KNFOMBBHKXGIJM-VXGBXAGGSA-N 1 1 311.813 3.163 20 5 DGBDMO C[N@H+](C/C=C/c1ccccc1[N+](=O)[O-])CCc1nccs1 ZINC000093843781 193317630 /nfs/dbraw/zinc/31/76/30/193317630.db2.gz DTPVQQPRKLBDJA-GQCTYLIASA-N 1 1 303.387 3.239 20 5 DGBDMO CCC[C@H]1CCC[N@H+](CC(=O)Nc2ccccc2[N+](=O)[O-])C1 ZINC000120950264 284182792 /nfs/dbraw/zinc/18/27/92/284182792.db2.gz SDLCWONMLQTFDB-ZDUSSCGKSA-N 1 1 305.378 3.045 20 5 DGBDMO CCC[C@H]1CCC[N@@H+](CC(=O)Nc2ccccc2[N+](=O)[O-])C1 ZINC000120950264 284182793 /nfs/dbraw/zinc/18/27/93/284182793.db2.gz SDLCWONMLQTFDB-ZDUSSCGKSA-N 1 1 305.378 3.045 20 5 DGBDMO O=[N+]([O-])c1ccc(CC[N@@H+]2CCOc3ccc(F)cc3C2)cc1 ZINC000489157257 245275642 /nfs/dbraw/zinc/27/56/42/245275642.db2.gz KTAPYBBVZQWGOZ-UHFFFAOYSA-N 1 1 316.332 3.171 20 5 DGBDMO O=[N+]([O-])c1ccc(CC[N@H+]2CCOc3ccc(F)cc3C2)cc1 ZINC000489157257 245275653 /nfs/dbraw/zinc/27/56/53/245275653.db2.gz KTAPYBBVZQWGOZ-UHFFFAOYSA-N 1 1 316.332 3.171 20 5 DGBDMO CC[C@H]1C[N@H+](Cc2ccc(-c3ccccc3[N+](=O)[O-])o2)CCO1 ZINC000125556293 284278492 /nfs/dbraw/zinc/27/84/92/284278492.db2.gz XBXWJDJKZZUFMJ-ZDUSSCGKSA-N 1 1 316.357 3.466 20 5 DGBDMO CC[C@H]1C[N@@H+](Cc2ccc(-c3ccccc3[N+](=O)[O-])o2)CCO1 ZINC000125556293 284278496 /nfs/dbraw/zinc/27/84/96/284278496.db2.gz XBXWJDJKZZUFMJ-ZDUSSCGKSA-N 1 1 316.357 3.466 20 5 DGBDMO COCC[N@H+](Cc1ccc(C)o1)Cc1ccc([N+](=O)[O-])cc1 ZINC000125873428 284286596 /nfs/dbraw/zinc/28/65/96/284286596.db2.gz RRFCEJWWOBRYJE-UHFFFAOYSA-N 1 1 304.346 3.145 20 5 DGBDMO COCC[N@@H+](Cc1ccc(C)o1)Cc1ccc([N+](=O)[O-])cc1 ZINC000125873428 284286598 /nfs/dbraw/zinc/28/65/98/284286598.db2.gz RRFCEJWWOBRYJE-UHFFFAOYSA-N 1 1 304.346 3.145 20 5 DGBDMO C[N@@H+](Cc1ccc([N+](=O)[O-])c(F)c1)[C@H](CCO)c1ccccc1 ZINC000283000192 217378815 /nfs/dbraw/zinc/37/88/15/217378815.db2.gz FOYDIZAZHBXSNT-MRXNPFEDSA-N 1 1 318.348 3.289 20 5 DGBDMO CC[N@@H+](C)Cc1cccc(CNc2ncc([N+](=O)[O-])s2)c1 ZINC000190319680 432143537 /nfs/dbraw/zinc/14/35/37/432143537.db2.gz NMFKAZPJFVHKMQ-UHFFFAOYSA-N 1 1 306.391 3.115 20 5 DGBDMO Cc1ccc([N+](=O)[O-])cc1NC(=O)C[N@H+](C)C1CCCCCC1 ZINC000039536605 183020381 /nfs/dbraw/zinc/02/03/81/183020381.db2.gz YXOFOSHRFJORMK-UHFFFAOYSA-N 1 1 319.405 3.496 20 5 DGBDMO CC1CCN(CC[NH2+]Cc2cc([N+](=O)[O-])ccc2Cl)CC1 ZINC000040771844 183131230 /nfs/dbraw/zinc/13/12/30/183131230.db2.gz WZJXUGCUIKAMKK-UHFFFAOYSA-N 1 1 311.813 3.070 20 5 DGBDMO Cc1nc(C[N@H+](C)CCc2ccccc2[N+](=O)[O-])sc1C ZINC000285163495 218315336 /nfs/dbraw/zinc/31/53/36/218315336.db2.gz ARBNWEYXJGXVTI-UHFFFAOYSA-N 1 1 305.403 3.343 20 5 DGBDMO Cc1nc(C[N@@H+](C)CCc2ccccc2[N+](=O)[O-])sc1C ZINC000285163495 218315337 /nfs/dbraw/zinc/31/53/37/218315337.db2.gz ARBNWEYXJGXVTI-UHFFFAOYSA-N 1 1 305.403 3.343 20 5 DGBDMO C[N@H+]1CCC[C@@H]2CN(Cc3cc(Cl)ccc3[N+](=O)[O-])CC[C@@H]21 ZINC000269003513 207159497 /nfs/dbraw/zinc/15/94/97/207159497.db2.gz PXLMMPJVKYKLIJ-DOMZBBRYSA-N 1 1 323.824 3.164 20 5 DGBDMO Cc1c(NC(=O)CC[N@H+](C(C)C)C2CC2)cccc1[N+](=O)[O-] ZINC000063492994 184283538 /nfs/dbraw/zinc/28/35/38/184283538.db2.gz VGJABTCZSMZEME-UHFFFAOYSA-N 1 1 305.378 3.105 20 5 DGBDMO CC[N@@H+](Cc1ccc(C(N)=O)cc1[N+](=O)[O-])[C@@H]1CCCC[C@H]1C ZINC000249366967 285070111 /nfs/dbraw/zinc/07/01/11/285070111.db2.gz MRZFWGSUPHBNCO-IUODEOHRSA-N 1 1 319.405 3.094 20 5 DGBDMO C[C@@H]1CCC[C@H]([N@@H+](C)CCC(=O)Nc2ccccc2[N+](=O)[O-])C1 ZINC000336999643 253033500 /nfs/dbraw/zinc/03/35/00/253033500.db2.gz RFOBTPGIPKQPHT-KGLIPLIRSA-N 1 1 319.405 3.434 20 5 DGBDMO CCC1(C)CC[NH+]([C@@H](C)C(=O)Nc2ccccc2[N+](=O)[O-])CC1 ZINC000337696870 253161077 /nfs/dbraw/zinc/16/10/77/253161077.db2.gz TWTFVGNMUARNPV-ZDUSSCGKSA-N 1 1 319.405 3.434 20 5 DGBDMO C[C@@H](c1cccc([N+](=O)[O-])c1)[N@H+]1CCC[C@@H](n2cccn2)C1 ZINC000338728664 253342917 /nfs/dbraw/zinc/34/29/17/253342917.db2.gz ZSIUDVHDEGTNNH-XJKSGUPXSA-N 1 1 300.362 3.189 20 5 DGBDMO O=[N+]([O-])c1cccc(Cl)c1C[N@@H+]1CCC[C@@H]1[C@H]1CCC[C@H]1O ZINC000336860277 285153246 /nfs/dbraw/zinc/15/32/46/285153246.db2.gz PKHFOFZJNCERQB-DJSGYFEHSA-N 1 1 324.808 3.374 20 5 DGBDMO C[C@@H]([NH2+]Cc1nc2cccnc2s1)c1cccc([N+](=O)[O-])c1 ZINC000341568944 253831508 /nfs/dbraw/zinc/83/15/08/253831508.db2.gz BOSRZIGURCTJGR-SNVBAGLBSA-N 1 1 314.370 3.450 20 5 DGBDMO O=[N+]([O-])c1ccccc1N1CCC[N@@H+](Cc2ccccc2)CC1 ZINC000247299207 285162758 /nfs/dbraw/zinc/16/27/58/285162758.db2.gz DRSUQHBKTZEFCN-UHFFFAOYSA-N 1 1 311.385 3.307 20 5 DGBDMO CC(C)[C@H]1CC[N@@H+]1Cc1cc([N+](=O)[O-])ccc1OC(F)F ZINC000342847115 254064939 /nfs/dbraw/zinc/06/49/39/254064939.db2.gz AQUORWZLRDVNEF-GFCCVEGCSA-N 1 1 300.305 3.427 20 5 DGBDMO CC(C)[C@H]1CC[N@H+]1Cc1cc([N+](=O)[O-])ccc1OC(F)F ZINC000342847115 254064942 /nfs/dbraw/zinc/06/49/42/254064942.db2.gz AQUORWZLRDVNEF-GFCCVEGCSA-N 1 1 300.305 3.427 20 5 DGBDMO CC[C@H](C)C[N@@H+](CC)[C@@H](C)C(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000343678206 254176765 /nfs/dbraw/zinc/17/67/65/254176765.db2.gz COQBDVUROZYMMC-STQMWFEESA-N 1 1 307.394 3.290 20 5 DGBDMO C[C@H](C(=O)Nc1ccccc1[N+](=O)[O-])[N@H+]1CCC[C@@H](C2CC2)C1 ZINC000344090861 254224338 /nfs/dbraw/zinc/22/43/38/254224338.db2.gz JIKAQGWPQAUWPS-TZMCWYRMSA-N 1 1 317.389 3.044 20 5 DGBDMO C[C@@H](c1cccc([N+](=O)[O-])c1)[N@H+]1CC[C@@H](C)[C@@H](n2ccnc2)C1 ZINC000156473522 197115934 /nfs/dbraw/zinc/11/59/34/197115934.db2.gz JKVGQHSLTMAJRD-KEYYUXOJSA-N 1 1 314.389 3.435 20 5 DGBDMO Cc1ccc(NC(=O)[C@@H](C)[N@@H+]2[C@H](C)CC[C@@H]2C)cc1[N+](=O)[O-] ZINC000120492836 195177548 /nfs/dbraw/zinc/17/75/48/195177548.db2.gz MRLPDIJQGFZFNB-FRRDWIJNSA-N 1 1 305.378 3.103 20 5 DGBDMO CN1CC[NH+](Cc2ccc(-c3ccccc3[N+](=O)[O-])s2)CC1 ZINC000120644877 195206921 /nfs/dbraw/zinc/20/69/21/195206921.db2.gz ZLNRAXWHQIJGEM-UHFFFAOYSA-N 1 1 317.414 3.071 20 5 DGBDMO Cc1cc(C2CC[NH+](Cc3ccc([N+](=O)[O-])cc3)CC2)n[nH]1 ZINC000271611251 209057936 /nfs/dbraw/zinc/05/79/36/209057936.db2.gz KGODBJLBFDRJGI-UHFFFAOYSA-N 1 1 300.362 3.006 20 5 DGBDMO COc1ccc([N+](=O)[O-])cc1C[N@H+]1CCCCC[C@@H]1C[C@@H](C)O ZINC000323004218 533219265 /nfs/dbraw/zinc/21/92/65/533219265.db2.gz VFMKWMXMCSUYKE-UKRRQHHQSA-N 1 1 322.405 3.119 20 5 DGBDMO CCC[C@@H]1CCC[N@@H+](Cc2cc([N+](=O)[O-])cc3c2OCOC3)C1 ZINC000120932694 195266168 /nfs/dbraw/zinc/26/61/68/195266168.db2.gz UFBCFJVOUYXYHC-CYBMUJFWSA-N 1 1 320.389 3.473 20 5 DGBDMO Cc1c(C[N@H+]2CC(C)(C)[C@H]2[C@@H]2CCCO2)cccc1[N+](=O)[O-] ZINC000289640705 221122735 /nfs/dbraw/zinc/12/27/35/221122735.db2.gz FPSCPIVXNWOSHF-JKSUJKDBSA-N 1 1 304.390 3.293 20 5 DGBDMO O=[N+]([O-])c1ccc(CC[N@H+]2CC3(CCC3)[C@@H]2[C@@H]2CCCO2)cc1 ZINC000289661892 221136646 /nfs/dbraw/zinc/13/66/46/221136646.db2.gz UJQJMLCJZHETET-IRXDYDNUSA-N 1 1 316.401 3.171 20 5 DGBDMO C[N@@H+](Cc1ccc(-c2ccccc2[N+](=O)[O-])o1)[C@@H]1CCC[C@H]1O ZINC000289712922 221173043 /nfs/dbraw/zinc/17/30/43/221173043.db2.gz OYPWAXYIYCJHCW-HZPDHXFCSA-N 1 1 316.357 3.200 20 5 DGBDMO CC[C@H]([NH2+]Cc1ncccc1N(C)C)c1cccc([N+](=O)[O-])c1 ZINC000289765973 221211381 /nfs/dbraw/zinc/21/13/81/221211381.db2.gz LXCSARYAFUSHLT-HNNXBMFYSA-N 1 1 314.389 3.297 20 5 DGBDMO CC[N@@H+](CCc1ccc([N+](=O)[O-])cc1)[C@H]1CCOC(C)(C)C1 ZINC000289798671 221233163 /nfs/dbraw/zinc/23/31/63/221233163.db2.gz MUJZIRQFZRCTDX-INIZCTEOSA-N 1 1 306.406 3.417 20 5 DGBDMO C/C(=C/c1cccc([N+](=O)[O-])c1)C[N@@H+](C)C[C@@H]1CCCC[C@@H]1O ZINC000470210210 533380064 /nfs/dbraw/zinc/38/00/64/533380064.db2.gz AFGQMWHBZMMULZ-FHYOKYKPSA-N 1 1 318.417 3.481 20 5 DGBDMO C/C(=C/c1cccc([N+](=O)[O-])c1)C[N@@H+]1C[C@@H](C)OC(C)(C)C1 ZINC000470179195 533383486 /nfs/dbraw/zinc/38/34/86/533383486.db2.gz UDCDELSQIFBUJQ-YLHGKKIISA-N 1 1 304.390 3.497 20 5 DGBDMO C/C(=C\c1cccc([N+](=O)[O-])c1)CN[C@@H]1CC[N@@H+]2CCC[C@H]2C1 ZINC000468648019 533409835 /nfs/dbraw/zinc/40/98/35/533409835.db2.gz MWOPCPYEUYZAIG-KPJVXMDVSA-N 1 1 315.417 3.215 20 5 DGBDMO C/C(=C\c1cccc([N+](=O)[O-])c1)CN[C@@H]1CC[N@H+]2CCC[C@H]2C1 ZINC000468648019 533409841 /nfs/dbraw/zinc/40/98/41/533409841.db2.gz MWOPCPYEUYZAIG-KPJVXMDVSA-N 1 1 315.417 3.215 20 5 DGBDMO Cc1ccc2nc(C[NH2+][C@H](C)c3ccc([N+](=O)[O-])cc3)cn2c1 ZINC000356984605 285590728 /nfs/dbraw/zinc/59/07/28/285590728.db2.gz SPKQTSSZRRKHQE-CYBMUJFWSA-N 1 1 310.357 3.402 20 5 DGBDMO COc1cc([N+](=O)[O-])ccc1[C@H](C)[NH2+]Cc1cccc(O)c1 ZINC000595041977 400086173 /nfs/dbraw/zinc/08/61/73/400086173.db2.gz RROCDKVPQOCBRZ-NSHDSACASA-N 1 1 302.330 3.160 20 5 DGBDMO CCn1ccc(C[N@@H+](C)Cc2ccc(OC)c([N+](=O)[O-])c2)c1 ZINC000616135082 400088152 /nfs/dbraw/zinc/08/81/52/400088152.db2.gz KLZLKLTXVGUMMN-UHFFFAOYSA-N 1 1 303.362 3.057 20 5 DGBDMO Cc1n[nH]c(C)c1[C@H]1CCC[N@@H+]1Cc1ccc([N+](=O)[O-])cc1F ZINC000091080396 400092770 /nfs/dbraw/zinc/09/27/70/400092770.db2.gz UZCJAELUSFNTOR-OAHLLOKOSA-N 1 1 318.352 3.411 20 5 DGBDMO Cc1n[nH]c(C)c1[C@H]1CCC[N@H+]1Cc1ccc([N+](=O)[O-])cc1F ZINC000091080396 400092772 /nfs/dbraw/zinc/09/27/72/400092772.db2.gz UZCJAELUSFNTOR-OAHLLOKOSA-N 1 1 318.352 3.411 20 5 DGBDMO CC[C@H](Cc1ccccc1)[N@@H+](C)Cc1onc(C)c1[N+](=O)[O-] ZINC000595324834 400126828 /nfs/dbraw/zinc/12/68/28/400126828.db2.gz HPYYDBHQMFSZRU-CQSZACIVSA-N 1 1 303.362 3.344 20 5 DGBDMO C[N@H+](Cc1ccc(F)cc1[N+](=O)[O-])[C@@H](CCO)c1ccccc1 ZINC000595328265 400128588 /nfs/dbraw/zinc/12/85/88/400128588.db2.gz YCQQFVBTFCCYTE-INIZCTEOSA-N 1 1 318.348 3.289 20 5 DGBDMO C[N@@H+](Cc1ccc(F)cc1[N+](=O)[O-])[C@@H](CCO)c1ccccc1 ZINC000595328265 400128592 /nfs/dbraw/zinc/12/85/92/400128592.db2.gz YCQQFVBTFCCYTE-INIZCTEOSA-N 1 1 318.348 3.289 20 5 DGBDMO Cc1n[nH]cc1C1CC[NH+](Cc2c(F)cccc2[N+](=O)[O-])CC1 ZINC000585754770 400138011 /nfs/dbraw/zinc/13/80/11/400138011.db2.gz JHXGQAGTVPXANI-UHFFFAOYSA-N 1 1 318.352 3.145 20 5 DGBDMO Cc1n[nH]c(C)c1[C@H]1CCC[N@@H+]1Cc1ccc(F)cc1[N+](=O)[O-] ZINC000595404206 400141600 /nfs/dbraw/zinc/14/16/00/400141600.db2.gz OMLKSPXTGVXATQ-CQSZACIVSA-N 1 1 318.352 3.411 20 5 DGBDMO Cc1n[nH]c(C)c1[C@H]1CCC[N@H+]1Cc1ccc(F)cc1[N+](=O)[O-] ZINC000595404206 400141602 /nfs/dbraw/zinc/14/16/02/400141602.db2.gz OMLKSPXTGVXATQ-CQSZACIVSA-N 1 1 318.352 3.411 20 5 DGBDMO CO[C@H](C[N@@H+](Cc1ccc([N+](=O)[O-])cc1)C1CC1)C1CCC1 ZINC000595411813 400143001 /nfs/dbraw/zinc/14/30/01/400143001.db2.gz NNFFYHUULMGQKX-QGZVFWFLSA-N 1 1 304.390 3.374 20 5 DGBDMO C[C@H](C[N@@H+](C)Cc1ccc(F)cc1[N+](=O)[O-])c1nccs1 ZINC000595423634 400145276 /nfs/dbraw/zinc/14/52/76/400145276.db2.gz FHDJGPNOKTUYAQ-SNVBAGLBSA-N 1 1 309.366 3.426 20 5 DGBDMO CC(C)n1cc([C@H](C)[NH2+]Cc2ccc(F)cc2[N+](=O)[O-])cn1 ZINC000595429973 400146654 /nfs/dbraw/zinc/14/66/54/400146654.db2.gz QSRZKIIDJGDRHL-NSHDSACASA-N 1 1 306.341 3.362 20 5 DGBDMO O=[N+]([O-])c1ccc(OCC[N@H+]2CCCc3sccc3C2)cc1 ZINC000609322916 400159966 /nfs/dbraw/zinc/15/99/66/400159966.db2.gz NQEJVHRJAJTSDG-UHFFFAOYSA-N 1 1 318.398 3.484 20 5 DGBDMO Cc1ccc([N+](=O)[O-])cc1[C@H](C)[N@@H+]1C[C@]2(C)COC[C@]2(C)C1 ZINC000595687490 400227270 /nfs/dbraw/zinc/22/72/70/400227270.db2.gz AUYZTVGMCQAPAE-RRQGHBQHSA-N 1 1 304.390 3.323 20 5 DGBDMO CC1(C)C[C@H](O)CCN(c2cc[nH+]c3ccc([N+](=O)[O-])cc32)C1 ZINC000601172369 400256016 /nfs/dbraw/zinc/25/60/16/400256016.db2.gz ZKZSFKLOXQAULR-CYBMUJFWSA-N 1 1 315.373 3.130 20 5 DGBDMO O=[N+]([O-])c1ccc2[nH+]ccc(N3CCC(n4ccnc4)CC3)c2c1 ZINC000601108728 400234781 /nfs/dbraw/zinc/23/47/81/400234781.db2.gz JNVRVTWGRKIGDX-UHFFFAOYSA-N 1 1 323.356 3.181 20 5 DGBDMO O=[N+]([O-])c1ccc2[nH+]ccc(N[C@H]3CCOC4(CCC4)C3)c2c1 ZINC000601132018 400243857 /nfs/dbraw/zinc/24/38/57/400243857.db2.gz VJPDSFLGUYIRND-LBPRGKRZSA-N 1 1 313.357 3.079 20 5 DGBDMO CC(C)[C@@H]1CN(c2cc[nH+]c3ccc([N+](=O)[O-])cc32)CCO1 ZINC000601140502 400247073 /nfs/dbraw/zinc/24/70/73/400247073.db2.gz WDEADKWJXDBFRJ-INIZCTEOSA-N 1 1 301.346 3.004 20 5 DGBDMO CCCC[N@@H+](C)C[C@H](C)NCc1ccc([N+](=O)[O-])cc1Cl ZINC000588933704 400247993 /nfs/dbraw/zinc/24/79/93/400247993.db2.gz UUQGBMVLZLBMCT-LBPRGKRZSA-N 1 1 313.829 3.458 20 5 DGBDMO CCCC[N@@H+](CC(=O)Nc1cc([N+](=O)[O-])ccc1C)C1CC1 ZINC000026450453 400257147 /nfs/dbraw/zinc/25/71/47/400257147.db2.gz GYBKKVQNVSAHPX-UHFFFAOYSA-N 1 1 305.378 3.106 20 5 DGBDMO CCC(CC)[N@@H+](CC)CC(=O)Nc1ccc(OC)cc1[N+](=O)[O-] ZINC000588977335 400252694 /nfs/dbraw/zinc/25/26/94/400252694.db2.gz VFEHEPVHKUSSJT-UHFFFAOYSA-N 1 1 323.393 3.052 20 5 DGBDMO O=[N+]([O-])c1ccccc1-c1ccc(C[N@@H+]2CC[C@H](CO)C2)s1 ZINC000092763809 400202882 /nfs/dbraw/zinc/20/28/82/400202882.db2.gz KYBMRXTZEMLAKC-LBPRGKRZSA-N 1 1 318.398 3.138 20 5 DGBDMO Cc1c(C[N@H+](Cc2ccccc2)C[C@@H](C)O)cccc1[N+](=O)[O-] ZINC000610161313 400217465 /nfs/dbraw/zinc/21/74/65/400217465.db2.gz IEBZTPYLTOLWIU-CQSZACIVSA-N 1 1 314.385 3.286 20 5 DGBDMO C[N@@H+](CCCOc1ccc([N+](=O)[O-])cc1)Cc1cccc(O)c1 ZINC000610504460 400266238 /nfs/dbraw/zinc/26/62/38/400266238.db2.gz DWBUSJLINMQRRL-UHFFFAOYSA-N 1 1 316.357 3.201 20 5 DGBDMO Cc1ccc([N+](=O)[O-])cc1NC(=O)C[N@H+](C)[C@@H](C)C(C)(C)C ZINC000027133116 400266946 /nfs/dbraw/zinc/26/69/46/400266946.db2.gz MWEYLHNQIXTRPQ-LBPRGKRZSA-N 1 1 307.394 3.208 20 5 DGBDMO C[C@@H]([N@@H+](C)Cc1cc([N+](=O)[O-])cc2c1OCOC2)C(C)(C)C ZINC000027133710 400267292 /nfs/dbraw/zinc/26/72/92/400267292.db2.gz NZKSPXGRMGXHPO-LLVKDONJSA-N 1 1 308.378 3.328 20 5 DGBDMO O=C(C[N@H+]1CCC[C@H](C2CCC2)C1)Nc1ccccc1[N+](=O)[O-] ZINC000595838270 400277173 /nfs/dbraw/zinc/27/71/73/400277173.db2.gz UQWZNZRJXKFZGJ-AWEZNQCLSA-N 1 1 317.389 3.045 20 5 DGBDMO C[C@@H](C(=O)Nc1cccc([N+](=O)[O-])c1)[N@@H+]1[C@@H]2CC[C@H]1CC(C)C2 ZINC000595857623 400282446 /nfs/dbraw/zinc/28/24/46/400282446.db2.gz MGAHOJYMRSVEAT-FXYBZAJKSA-N 1 1 317.389 3.185 20 5 DGBDMO C[C@H]1C[N@@H+](CCCOc2ccc([N+](=O)[O-])cc2)CCC1(F)F ZINC000589276244 400283484 /nfs/dbraw/zinc/28/34/84/400283484.db2.gz RCMZRCBTXXNAFZ-LBPRGKRZSA-N 1 1 314.332 3.341 20 5 DGBDMO CC[C@@H]1CCC[C@H](C)[N@H+]1CC(=O)Nc1c(C)cccc1[N+](=O)[O-] ZINC000595867031 400284295 /nfs/dbraw/zinc/28/42/95/400284295.db2.gz JNVNNUOYUAOZCZ-UONOGXRCSA-N 1 1 319.405 3.495 20 5 DGBDMO CCCC[N@@H+](C)C[C@@H](C)NCc1ccc([N+](=O)[O-])cc1Cl ZINC000589321981 400288489 /nfs/dbraw/zinc/28/84/89/400288489.db2.gz UUQGBMVLZLBMCT-GFCCVEGCSA-N 1 1 313.829 3.458 20 5 DGBDMO Cc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@H+](C)C[C@H]1CC1(C)C ZINC000595911571 400293633 /nfs/dbraw/zinc/29/36/33/400293633.db2.gz YPOHALAAYJWWOX-CYBMUJFWSA-N 1 1 319.405 3.210 20 5 DGBDMO Cc1ncc([N+](=O)[O-])n1CC[N@H+](C)Cc1ccc(C(C)C)cc1 ZINC000610782650 400304904 /nfs/dbraw/zinc/30/49/04/400304904.db2.gz DASJACYVPPKUMZ-UHFFFAOYSA-N 1 1 316.405 3.355 20 5 DGBDMO CC[N@H+]1CCC[C@@H](CNc2ccc([N+](=O)[O-])c3cnccc23)C1 ZINC000069142584 400313358 /nfs/dbraw/zinc/31/33/58/400313358.db2.gz UWOIRVWLUTUAOE-ZDUSSCGKSA-N 1 1 314.389 3.287 20 5 DGBDMO CC(C)[C@H](C)[N@@H+](C)CC(=O)Nc1ccc(Cl)cc1[N+](=O)[O-] ZINC000030148704 400321386 /nfs/dbraw/zinc/32/13/86/400321386.db2.gz GYLZRCBASUVIFY-JTQLQIEISA-N 1 1 313.785 3.163 20 5 DGBDMO CCOc1cc(N[C@@H]2CC[N@H+](C(C)(C)C)C2)ccc1[N+](=O)[O-] ZINC000596334563 400383433 /nfs/dbraw/zinc/38/34/33/400383433.db2.gz CGOHSBZBDKPHDO-CYBMUJFWSA-N 1 1 307.394 3.278 20 5 DGBDMO CC(C)(C)[N@H+]1CC[C@H](Nc2ccc([N+](=O)[O-])c3cnccc23)C1 ZINC000596336640 400384663 /nfs/dbraw/zinc/38/46/63/400384663.db2.gz QYFPXXYMMOYQPM-LBPRGKRZSA-N 1 1 314.389 3.428 20 5 DGBDMO O=[N+]([O-])c1cc(C(F)F)ccc1N[C@@H]1CCn2cc[nH+]c2C1 ZINC000596199714 400348741 /nfs/dbraw/zinc/34/87/41/400348741.db2.gz GKBTUTPQEUQQTC-SNVBAGLBSA-N 1 1 308.288 3.156 20 5 DGBDMO Cc1cc([N+](=O)[O-])ccc1NC(=O)C[N@H+]1CCC[C@@H]1C(C)(C)C ZINC000072608910 400392862 /nfs/dbraw/zinc/39/28/62/400392862.db2.gz COTNGBATEMXFMN-OAHLLOKOSA-N 1 1 319.405 3.352 20 5 DGBDMO O=[N+]([O-])c1cc(Cl)ccc1C[N@@H+]1CC[C@H](O)C12CCCC2 ZINC000590123482 400358587 /nfs/dbraw/zinc/35/85/87/400358587.db2.gz YQAPMNLCPBTLNG-AWEZNQCLSA-N 1 1 310.781 3.128 20 5 DGBDMO CC(C)CC[N@@H+](Cc1cc2c(cc1[N+](=O)[O-])OCCO2)C1CC1 ZINC000611254272 400365123 /nfs/dbraw/zinc/36/51/23/400365123.db2.gz LBHCKXPVRCNOOO-UHFFFAOYSA-N 1 1 320.389 3.377 20 5 DGBDMO O=[N+]([O-])c1ccccc1/C=C/C[N@H+]1CCC[C@@H](n2ccnc2)C1 ZINC000611268080 400370088 /nfs/dbraw/zinc/37/00/88/400370088.db2.gz FTDLCLLBQHVGJB-WUTVXBCWSA-N 1 1 312.373 3.142 20 5 DGBDMO CC[C@H](C)C[N@@H+](CC)Cc1cc2c(cc1[N+](=O)[O-])OCCO2 ZINC000611276015 400372636 /nfs/dbraw/zinc/37/26/36/400372636.db2.gz UJRZTMMLUMEJDJ-LBPRGKRZSA-N 1 1 308.378 3.234 20 5 DGBDMO C[C@@H]1CC[C@H](C)[N@@H+]1[C@H]1CCCN(c2sccc2[N+](=O)[O-])C1 ZINC000611411772 400396324 /nfs/dbraw/zinc/39/63/24/400396324.db2.gz MRMXGKQXXLSBBT-XQQFMLRXSA-N 1 1 309.435 3.498 20 5 DGBDMO Cc1noc([C@@H](C)[N@@H+]2CCC[C@H](c3ccc([N+](=O)[O-])cc3)C2)n1 ZINC000590757310 400429894 /nfs/dbraw/zinc/42/98/94/400429894.db2.gz ICOBDYZQFBANTK-RISCZKNCSA-N 1 1 316.361 3.227 20 5 DGBDMO Cc1noc([C@@H](C)[N@H+]2CCC[C@H](c3ccc([N+](=O)[O-])cc3)C2)n1 ZINC000590757310 400429898 /nfs/dbraw/zinc/42/98/98/400429898.db2.gz ICOBDYZQFBANTK-RISCZKNCSA-N 1 1 316.361 3.227 20 5 DGBDMO Cc1cccc([N+](=O)[O-])c1NC(=O)C[N@H+](C)C1CCCCCC1 ZINC000073158392 400435490 /nfs/dbraw/zinc/43/54/90/400435490.db2.gz AEGXCVYBAKKMRJ-UHFFFAOYSA-N 1 1 319.405 3.496 20 5 DGBDMO C[C@@H](Nc1cccnc1[N+](=O)[O-])[C@H]1CCC[N@H+](C2CCC2)C1 ZINC000611583544 400426922 /nfs/dbraw/zinc/42/69/22/400426922.db2.gz MZZKANLJLYRKRQ-OLZOCXBDSA-N 1 1 304.394 3.055 20 5 DGBDMO Cc1ccc(C[N@@H+](C)CCCOc2ccc([N+](=O)[O-])cc2)nc1 ZINC000590754985 400428610 /nfs/dbraw/zinc/42/86/10/400428610.db2.gz YDDXKGGQSNOLNN-UHFFFAOYSA-N 1 1 315.373 3.199 20 5 DGBDMO CCOc1cc(C[N@H+]2CCSC[C@@H]2C2CC2)ccc1[N+](=O)[O-] ZINC000590758751 400429783 /nfs/dbraw/zinc/42/97/83/400429783.db2.gz QNUZMSOKNADBEM-OAHLLOKOSA-N 1 1 322.430 3.321 20 5 DGBDMO COc1cccc(NC[C@@H]2CCC[N@@H+](CC3CC3)C2)c1[N+](=O)[O-] ZINC000596570028 400446780 /nfs/dbraw/zinc/44/67/80/400446780.db2.gz HEKRDQSKDGWFDV-AWEZNQCLSA-N 1 1 319.405 3.137 20 5 DGBDMO CCO[C@H]1C[C@H]([N@H+](C)Cc2csc([N+](=O)[O-])c2)C12CCC2 ZINC000120997102 400450577 /nfs/dbraw/zinc/45/05/77/400450577.db2.gz KADFIUBCCSJCAN-STQMWFEESA-N 1 1 310.419 3.436 20 5 DGBDMO CCO[C@H]1C[C@H]([N@@H+](C)Cc2csc([N+](=O)[O-])c2)C12CCC2 ZINC000120997102 400450579 /nfs/dbraw/zinc/45/05/79/400450579.db2.gz KADFIUBCCSJCAN-STQMWFEESA-N 1 1 310.419 3.436 20 5 DGBDMO COc1ccc(C[N@@H+](C)C/C=C\c2ccccc2[N+](=O)[O-])cn1 ZINC000612586707 400569969 /nfs/dbraw/zinc/56/99/69/400569969.db2.gz GHYXFMPTBZUPAD-ALCCZGGFSA-N 1 1 313.357 3.144 20 5 DGBDMO C[C@H]1C[C@H](Nc2ccc3ncccc3c2[N+](=O)[O-])C[N@H+]1C1CC1 ZINC000133491907 400570793 /nfs/dbraw/zinc/57/07/93/400570793.db2.gz FPJIIUFXQUUNPF-RYUDHWBXSA-N 1 1 312.373 3.180 20 5 DGBDMO C[C@@H]1[N@@H+](C/C=C\c2ccccc2[N+](=O)[O-])CCC12CCOCC2 ZINC000612596488 400572186 /nfs/dbraw/zinc/57/21/86/400572186.db2.gz ZLMZRHIOFQPGFB-VOKGJARPSA-N 1 1 316.401 3.499 20 5 DGBDMO CC1(C)C[N@H+](Cc2nc3cc([N+](=O)[O-])ccc3o2)[C@@H]1C1CC1 ZINC000602668317 400531617 /nfs/dbraw/zinc/53/16/17/400531617.db2.gz VERFQUHRWFSAAI-OAHLLOKOSA-N 1 1 301.346 3.356 20 5 DGBDMO CC1(C)C[N@@H+](Cc2nc3cc([N+](=O)[O-])ccc3o2)[C@@H]1C1CC1 ZINC000602668317 400531622 /nfs/dbraw/zinc/53/16/22/400531622.db2.gz VERFQUHRWFSAAI-OAHLLOKOSA-N 1 1 301.346 3.356 20 5 DGBDMO Cc1cc[nH+]c(NCc2cn(C)nc2-c2ccc([N+](=O)[O-])cc2)c1 ZINC000131080325 400545288 /nfs/dbraw/zinc/54/52/88/400545288.db2.gz GSAFBPFBJHSNLR-UHFFFAOYSA-N 1 1 323.356 3.311 20 5 DGBDMO Cc1ccncc1[C@H](C)[NH2+]Cc1nc2cc([N+](=O)[O-])ccc2[nH]1 ZINC000618305185 400564864 /nfs/dbraw/zinc/56/48/64/400564864.db2.gz COYKHNHGBDVJCZ-NSHDSACASA-N 1 1 311.345 3.025 20 5 DGBDMO CC[N@@H+](CCn1c(C)ncc1[N+](=O)[O-])[C@@H](C)c1ccc(F)cc1 ZINC000602763573 400566034 /nfs/dbraw/zinc/56/60/34/400566034.db2.gz MDZKRXJCPDNTKP-LBPRGKRZSA-N 1 1 320.368 3.322 20 5 DGBDMO CC[C@H]1CCCC[N@H+]1Cc1nc(-c2cccc([N+](=O)[O-])c2)no1 ZINC000046502124 400566712 /nfs/dbraw/zinc/56/67/12/400566712.db2.gz QLRXXAHFRYSRRI-ZDUSSCGKSA-N 1 1 316.361 3.409 20 5 DGBDMO CCCC[N@@H+](CC)Cc1nc(-c2cccc([N+](=O)[O-])c2)no1 ZINC000046514095 400568283 /nfs/dbraw/zinc/56/82/83/400568283.db2.gz UGGIFCHHOVWOMD-UHFFFAOYSA-N 1 1 304.350 3.267 20 5 DGBDMO Cc1ncc([N+](=O)[O-])n1CC[N@H+]1CCC[C@@H]1c1ccccc1C ZINC000602768189 400569025 /nfs/dbraw/zinc/56/90/25/400569025.db2.gz XMSWUZFXONQIIO-MRXNPFEDSA-N 1 1 314.389 3.245 20 5 DGBDMO O=[N+]([O-])c1cccc(F)c1C[N@@H+]1CC[C@H](Oc2ccccc2)C1 ZINC000592136384 400613062 /nfs/dbraw/zinc/61/30/62/400613062.db2.gz QKSQKBPTKPQPKE-AWEZNQCLSA-N 1 1 316.332 3.387 20 5 DGBDMO O=[N+]([O-])c1cccc(F)c1C[N@H+]1CC[C@H](Oc2ccccc2)C1 ZINC000592136384 400613071 /nfs/dbraw/zinc/61/30/71/400613071.db2.gz QKSQKBPTKPQPKE-AWEZNQCLSA-N 1 1 316.332 3.387 20 5 DGBDMO C[C@@H]1CC2(C[N@H+]1Cc1c(F)cccc1[N+](=O)[O-])CCOCC2 ZINC000592181942 400619666 /nfs/dbraw/zinc/61/96/66/400619666.db2.gz JUKVWJKCIJBWGN-GFCCVEGCSA-N 1 1 308.353 3.125 20 5 DGBDMO CC[N@H+](CCSC)Cc1coc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000592205038 400624752 /nfs/dbraw/zinc/62/47/52/400624752.db2.gz WXNPBIZRYABDGS-UHFFFAOYSA-N 1 1 321.402 3.435 20 5 DGBDMO CC[N@@H+](CCSC)Cc1coc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000592205038 400624755 /nfs/dbraw/zinc/62/47/55/400624755.db2.gz WXNPBIZRYABDGS-UHFFFAOYSA-N 1 1 321.402 3.435 20 5 DGBDMO CC(C)c1ccc(C[N@H+]2CC[C@H]3COC[C@H]3C2)cc1[N+](=O)[O-] ZINC000597231217 400593874 /nfs/dbraw/zinc/59/38/74/400593874.db2.gz OIGSBTRFBSEDIW-LSDHHAIUSA-N 1 1 304.390 3.187 20 5 DGBDMO CC[N@@H+](C)Cc1cccc(CNc2ncccc2[N+](=O)[O-])c1 ZINC000138677671 400599987 /nfs/dbraw/zinc/59/99/87/400599987.db2.gz FTCYNUGKFRTRBZ-UHFFFAOYSA-N 1 1 300.362 3.054 20 5 DGBDMO O=[N+]([O-])c1cccc(F)c1C[N@H+]1CC[C@@H](c2cccnc2)C1 ZINC000592140109 400612726 /nfs/dbraw/zinc/61/27/26/400612726.db2.gz BZEAEBIPNIJMBG-CYBMUJFWSA-N 1 1 301.321 3.118 20 5 DGBDMO C[C@@H]1CC2(C[N@H+]1C/C=C\c1ccccc1[N+](=O)[O-])CCOCC2 ZINC000592527227 400665269 /nfs/dbraw/zinc/66/52/69/400665269.db2.gz MTLOLJCUCSICCC-ZDTYVGOBSA-N 1 1 316.401 3.499 20 5 DGBDMO CC[N@@H+](CCC(=O)Nc1ccc([N+](=O)[O-])cc1)Cc1ccoc1 ZINC000153547147 400687828 /nfs/dbraw/zinc/68/78/28/400687828.db2.gz FUEBVIBPGFNIRS-UHFFFAOYSA-N 1 1 317.345 3.039 20 5 DGBDMO Cc1ccc([C@@H](C)N[C@H]2CC[N@H+](CC3CC3)C2)cc1[N+](=O)[O-] ZINC000157690099 400718536 /nfs/dbraw/zinc/71/85/36/400718536.db2.gz USRHMYBCZQTPBJ-CJNGLKHVSA-N 1 1 303.406 3.038 20 5 DGBDMO Cc1ccc([C@@H](C)N[C@H]2CC[N@@H+](CC3CC3)C2)cc1[N+](=O)[O-] ZINC000157690099 400718543 /nfs/dbraw/zinc/71/85/43/400718543.db2.gz USRHMYBCZQTPBJ-CJNGLKHVSA-N 1 1 303.406 3.038 20 5 DGBDMO CC[C@H](N[C@H]1CC[N@H+](CC2CC2)C1)c1cccc([N+](=O)[O-])c1 ZINC000157756540 400719870 /nfs/dbraw/zinc/71/98/70/400719870.db2.gz WRHQHAXEFWEVBP-RDJZCZTQSA-N 1 1 303.406 3.120 20 5 DGBDMO CC[C@H](N[C@H]1CC[N@@H+](CC2CC2)C1)c1cccc([N+](=O)[O-])c1 ZINC000157756540 400719872 /nfs/dbraw/zinc/71/98/72/400719872.db2.gz WRHQHAXEFWEVBP-RDJZCZTQSA-N 1 1 303.406 3.120 20 5 DGBDMO Cc1c([C@@H](C)N[C@H]2CC[N@H+](CC3CC3)C2)cccc1[N+](=O)[O-] ZINC000157711946 400720264 /nfs/dbraw/zinc/72/02/64/400720264.db2.gz JVZFLSIZQPVQHG-HIFRSBDPSA-N 1 1 303.406 3.038 20 5 DGBDMO Cc1c([C@@H](C)N[C@H]2CC[N@@H+](CC3CC3)C2)cccc1[N+](=O)[O-] ZINC000157711946 400720269 /nfs/dbraw/zinc/72/02/69/400720269.db2.gz JVZFLSIZQPVQHG-HIFRSBDPSA-N 1 1 303.406 3.038 20 5 DGBDMO Cc1nccc([C@H]2CCC[N@@H+](Cc3cccc([N+](=O)[O-])c3)C2)n1 ZINC000603834189 400720629 /nfs/dbraw/zinc/72/06/29/400720629.db2.gz KOBGMWXSIYZCOJ-HNNXBMFYSA-N 1 1 312.373 3.073 20 5 DGBDMO CCOC(=O)CC[C@@H]1CCC[N@@H+](Cc2ccccc2[N+](=O)[O-])C1 ZINC000161845863 400742975 /nfs/dbraw/zinc/74/29/75/400742975.db2.gz AAYMZXNWVMBLLX-AWEZNQCLSA-N 1 1 320.389 3.150 20 5 DGBDMO CCOc1cc(C[N@H+]2CCC[C@H](OC(C)C)C2)ccc1[N+](=O)[O-] ZINC000593053403 400748085 /nfs/dbraw/zinc/74/80/85/400748085.db2.gz FIYKDHIKBIQIBN-HNNXBMFYSA-N 1 1 322.405 3.383 20 5 DGBDMO CC(C)[N@@H+](Cc1cc([N+](=O)[O-])cc2c1OCOC2)C1CCC1 ZINC000077357238 400711876 /nfs/dbraw/zinc/71/18/76/400711876.db2.gz PNWJIISDXUINOX-UHFFFAOYSA-N 1 1 306.362 3.224 20 5 DGBDMO C[C@@H](c1ccccc1)[N@H+]1CC[C@H](Nc2cccnc2[N+](=O)[O-])C1 ZINC000604304587 400762656 /nfs/dbraw/zinc/76/26/56/400762656.db2.gz QLICEQRMAMCUMR-ZFWWWQNUSA-N 1 1 312.373 3.237 20 5 DGBDMO Cc1c([C@@H](C)NCc2ccc(C[NH3+])cc2F)cccc1[N+](=O)[O-] ZINC000593319780 400818506 /nfs/dbraw/zinc/81/85/06/400818506.db2.gz PJYWPAOZIBUPOD-GFCCVEGCSA-N 1 1 317.364 3.352 20 5 DGBDMO Cc1occc1C[NH2+]Cc1cc([N+](=O)[O-])ccc1OC(F)F ZINC000604533045 400785342 /nfs/dbraw/zinc/78/53/42/400785342.db2.gz VTRPSQBVZKFQMB-UHFFFAOYSA-N 1 1 312.272 3.387 20 5 DGBDMO O=[N+]([O-])c1ccc2[nH]c(C[N@H+]3CCC[C@H]4CCC[C@@H]43)nc2c1 ZINC000614261515 400866512 /nfs/dbraw/zinc/86/65/12/400866512.db2.gz HXLUVZRXEZGKNV-ABAIWWIYSA-N 1 1 300.362 3.236 20 5 DGBDMO COc1cccc(C[NH2+]Cc2ccc(OC)c([N+](=O)[O-])c2)c1F ZINC000619715211 400893322 /nfs/dbraw/zinc/89/33/22/400893322.db2.gz DKOJIXPZQPIUHV-UHFFFAOYSA-N 1 1 320.320 3.041 20 5 DGBDMO C[C@H]1c2cccn2CC[N@H+]1CCCOc1ccc([N+](=O)[O-])cc1 ZINC000055899735 400900310 /nfs/dbraw/zinc/90/03/10/400900310.db2.gz CBNIVDAXXOWQSC-AWEZNQCLSA-N 1 1 315.373 3.242 20 5 DGBDMO C[C@H]1c2cccn2CC[N@@H+]1CCCOc1ccc([N+](=O)[O-])cc1 ZINC000055899735 400900313 /nfs/dbraw/zinc/90/03/13/400900313.db2.gz CBNIVDAXXOWQSC-AWEZNQCLSA-N 1 1 315.373 3.242 20 5 DGBDMO Cc1cc([N+](=O)[O-])ccc1CNC[C@@H]1CC[N@@H+]1C1CCCC1 ZINC000598997448 400924071 /nfs/dbraw/zinc/92/40/71/400924071.db2.gz BOLHVBRTHHNINT-KRWDZBQOSA-N 1 1 303.406 3.010 20 5 DGBDMO Cc1cc([N+](=O)[O-])ccc1CNC[C@@H]1CC[N@H+]1C1CCCC1 ZINC000598997448 400924076 /nfs/dbraw/zinc/92/40/76/400924076.db2.gz BOLHVBRTHHNINT-KRWDZBQOSA-N 1 1 303.406 3.010 20 5 DGBDMO CCOc1cc(NC[C@H]2CCCC[N@@H+](C)C2)ccc1[N+](=O)[O-] ZINC000599138626 400973781 /nfs/dbraw/zinc/97/37/81/400973781.db2.gz HOVGFTVDFAOXJU-CYBMUJFWSA-N 1 1 307.394 3.137 20 5 DGBDMO COc1cc([N+](=O)[O-])ccc1C[NH+]1C[C@@H](C)C(F)(F)[C@H](C)C1 ZINC000599514174 401063966 /nfs/dbraw/zinc/06/39/66/401063966.db2.gz DVSDLQROPHHTDY-GHMZBOCLSA-N 1 1 314.332 3.327 20 5 DGBDMO O=[N+]([O-])c1ccccc1C=CC[N@H+]1CCC[C@H](c2cc[nH]n2)C1 ZINC000255507021 401104867 /nfs/dbraw/zinc/10/48/67/401104867.db2.gz LYUVAUZQKHHWPQ-BYPUDFOVSA-N 1 1 312.373 3.211 20 5 DGBDMO COc1cc(N[C@H]2CCC[N@H+]3CCCC[C@H]23)ccc1[N+](=O)[O-] ZINC000594596474 401122297 /nfs/dbraw/zinc/12/22/97/401122297.db2.gz ACMKGGNNFSWDCR-UONOGXRCSA-N 1 1 305.378 3.032 20 5 DGBDMO C[C@H](N[C@H]1CCC[N@@H+]2CCCC[C@H]12)c1ccccc1[N+](=O)[O-] ZINC000594519390 401098065 /nfs/dbraw/zinc/09/80/65/401098065.db2.gz KHYIOSPHMZUKJH-JLJPHGGASA-N 1 1 303.406 3.262 20 5 DGBDMO C[C@H](N[C@H]1CCC[N@H+]2CCCC[C@H]12)c1ccccc1[N+](=O)[O-] ZINC000594519390 401098074 /nfs/dbraw/zinc/09/80/74/401098074.db2.gz KHYIOSPHMZUKJH-JLJPHGGASA-N 1 1 303.406 3.262 20 5 DGBDMO CC[N@H+]1CCN(C/C(C)=C/c2cccc([N+](=O)[O-])c2)C[C@@H]1C ZINC000615835314 401160552 /nfs/dbraw/zinc/16/05/52/401160552.db2.gz ISOVGUGJICBBAI-IPJDOKCGSA-N 1 1 303.406 3.024 20 5 DGBDMO CCOc1cccc(NCCNc2cccc(C)[nH+]2)c1[N+](=O)[O-] ZINC000358261040 286014135 /nfs/dbraw/zinc/01/41/35/286014135.db2.gz WHAOYGFNZNIQGW-UHFFFAOYSA-N 1 1 316.361 3.221 20 5 DGBDMO C[C@@H](C[N@H+]1CCC[C@@H](C)C1)Nc1ccc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000065586752 401272799 /nfs/dbraw/zinc/27/27/99/401272799.db2.gz VXHQWQSKSKGOBT-NEPJUHHUSA-N 1 1 322.365 3.035 20 5 DGBDMO CC[N@H+]1CCCC[C@@H]1CN[C@H](C)c1ccc([N+](=O)[O-])cc1OC ZINC000595020079 401235702 /nfs/dbraw/zinc/23/57/02/401235702.db2.gz TVNIQOFMWAXOJI-UKRRQHHQSA-N 1 1 321.421 3.128 20 5 DGBDMO CCN1CCCC[C@@H]1C[NH2+][C@H](C)c1ccc([N+](=O)[O-])cc1OC ZINC000595020079 401235708 /nfs/dbraw/zinc/23/57/08/401235708.db2.gz TVNIQOFMWAXOJI-UKRRQHHQSA-N 1 1 321.421 3.128 20 5 DGBDMO CCC(=O)c1ccc(NCC[N@H+](CC)C(C)C)c([N+](=O)[O-])c1 ZINC000359479603 286317231 /nfs/dbraw/zinc/31/72/31/286317231.db2.gz HAEUGHVEUMRHLV-UHFFFAOYSA-N 1 1 307.394 3.330 20 5 DGBDMO Cc1ccc([N+](=O)[O-])c(N[C@@H](C)C[N@@H+](C)Cc2ccccc2)n1 ZINC000336698036 292290032 /nfs/dbraw/zinc/29/00/32/292290032.db2.gz CIZIOWXSEHEPRL-AWEZNQCLSA-N 1 1 314.389 3.231 20 5 DGBDMO Cn1cnc([N+](=O)[O-])c1C[N@H+]1CCC[C@H]1CC1CCCCC1 ZINC000364313906 287011625 /nfs/dbraw/zinc/01/16/25/287011625.db2.gz CGFMLLJGQQLIMK-AWEZNQCLSA-N 1 1 306.410 3.263 20 5 DGBDMO O=[N+]([O-])c1ccc(C[N@H+]2CC[C@H](c3ccco3)C2)c([N+](=O)[O-])c1 ZINC000364762218 287059067 /nfs/dbraw/zinc/05/90/67/287059067.db2.gz YOGORPWEUHLTEL-LBPRGKRZSA-N 1 1 317.301 3.086 20 5 DGBDMO CC[C@H]1[C@@H](C)CC[N@H+]1CCC(=O)Nc1cc([N+](=O)[O-])ccc1C ZINC000185618927 165009996 /nfs/dbraw/zinc/00/99/96/165009996.db2.gz JSJXRYSZJRVOFM-BBRMVZONSA-N 1 1 319.405 3.352 20 5 DGBDMO C[N@H+]1CC[C@@H](CNc2c(Cl)cc([N+](=O)[O-])cc2Cl)C1 ZINC000228848198 165390859 /nfs/dbraw/zinc/39/08/59/165390859.db2.gz YQIJKENBPPIWKB-QMMMGPOBSA-N 1 1 304.177 3.265 20 5 DGBDMO O=[N+]([O-])c1ccc(Cl)c(C[NH+]2CCC(n3cccn3)CC2)c1 ZINC000365301995 287119407 /nfs/dbraw/zinc/11/94/07/287119407.db2.gz FLTGQDGUGLNZID-UHFFFAOYSA-N 1 1 320.780 3.282 20 5 DGBDMO C[C@H]([NH2+]C1CCN(C2CCC2)CC1)c1ccc([N+](=O)[O-])cc1 ZINC000269013620 432151421 /nfs/dbraw/zinc/15/14/21/432151421.db2.gz OAULNNWAIYGRQN-ZDUSSCGKSA-N 1 1 303.406 3.262 20 5 DGBDMO C[C@H]1CCC[N@@H+](Cc2cc([N+](=O)[O-])cc3c2OCOC3)[C@H]1C ZINC000246645819 432151736 /nfs/dbraw/zinc/15/17/36/432151736.db2.gz IIURCGCEVILPDR-RYUDHWBXSA-N 1 1 306.362 3.082 20 5 DGBDMO O=[N+]([O-])c1cccc([C@@H](O)C[N@@H+](Cc2ccccc2)C2CC2)c1 ZINC000136904227 432164716 /nfs/dbraw/zinc/16/47/16/432164716.db2.gz LPSFHHRLCVNEDZ-SFHVURJKSA-N 1 1 312.369 3.293 20 5 DGBDMO COc1c(C)c[nH+]c(CN(C)Cc2cccc([N+](=O)[O-])c2)c1C ZINC000171792128 432172605 /nfs/dbraw/zinc/17/26/05/432172605.db2.gz ALPQJRDEIDIHOW-UHFFFAOYSA-N 1 1 315.373 3.247 20 5 DGBDMO CC[N@@H+](CCc1cccs1)C[C@@H](O)c1cccc([N+](=O)[O-])c1 ZINC000269632511 432188957 /nfs/dbraw/zinc/18/89/57/432188957.db2.gz GBOWDDDJNMZZTJ-MRXNPFEDSA-N 1 1 320.414 3.254 20 5 DGBDMO C[C@H]1c2ccccc2CC[N@@H+]1C[C@H](O)c1cccc([N+](=O)[O-])c1 ZINC000269626975 432189575 /nfs/dbraw/zinc/18/95/75/432189575.db2.gz DEANQTXPEBCZQX-UGSOOPFHSA-N 1 1 312.369 3.248 20 5 DGBDMO Cc1ccc(C[N@@H+]2CC[C@H](C)[C@@H](n3ccnc3)C2)cc1[N+](=O)[O-] ZINC000247244784 432215214 /nfs/dbraw/zinc/21/52/14/432215214.db2.gz WXNUCEVRTQDLOK-YOEHRIQHSA-N 1 1 314.389 3.183 20 5 DGBDMO C[C@H]1CC[N@H+](Cc2c(F)cccc2[N+](=O)[O-])C[C@H]1n1ccnc1 ZINC000247365238 432226415 /nfs/dbraw/zinc/22/64/15/432226415.db2.gz HLYKFCPFXMETMU-BLLLJJGKSA-N 1 1 318.352 3.014 20 5 DGBDMO C[C@H]1CC[N@@H+](Cc2c(F)cccc2[N+](=O)[O-])C[C@H]1n1ccnc1 ZINC000247365238 432226417 /nfs/dbraw/zinc/22/64/17/432226417.db2.gz HLYKFCPFXMETMU-BLLLJJGKSA-N 1 1 318.352 3.014 20 5 DGBDMO CCC[N@H+]1CC[C@H](CN[C@@H](C)c2cc([N+](=O)[O-])ccc2C)C1 ZINC000151116903 432222517 /nfs/dbraw/zinc/22/25/17/432222517.db2.gz NORPLVBVRLWTDO-LSDHHAIUSA-N 1 1 305.422 3.286 20 5 DGBDMO CCn1cc([C@@H](C)[NH2+]Cc2cc(Cl)ccc2[N+](=O)[O-])cn1 ZINC000295898968 225359403 /nfs/dbraw/zinc/35/94/03/225359403.db2.gz DAGLLNUWZDSRSY-SNVBAGLBSA-N 1 1 308.769 3.315 20 5 DGBDMO Cc1c(NC(=O)[C@H](C)[N@@H+]2[C@H](C)CC[C@@H]2C)cccc1[N+](=O)[O-] ZINC000298156753 228386642 /nfs/dbraw/zinc/38/66/42/228386642.db2.gz DUEWVPGAHAWICX-LOWVWBTDSA-N 1 1 305.378 3.103 20 5 DGBDMO O=[N+]([O-])c1ccc2ccnc(N[C@@H]3CC[N@H+]4CCCC[C@@H]34)c2c1 ZINC000413067681 230124950 /nfs/dbraw/zinc/12/49/50/230124950.db2.gz WWSMSLOFSCXFMB-CVEARBPZSA-N 1 1 312.373 3.182 20 5 DGBDMO O=[N+]([O-])c1ccc(NC[C@H]2CCCn3cc[nH+]c32)c2cccnc21 ZINC000413201845 230152638 /nfs/dbraw/zinc/15/26/38/230152638.db2.gz LPEOGLMBGDTKBI-GFCCVEGCSA-N 1 1 323.356 3.329 20 5 DGBDMO CC(C)[N@@H+](CCOc1ccccc1[N+](=O)[O-])Cc1ccco1 ZINC000346354751 264017112 /nfs/dbraw/zinc/01/71/12/264017112.db2.gz RIDAVRXSDNMADL-UHFFFAOYSA-N 1 1 304.346 3.477 20 5 DGBDMO C[C@H]([NH3+])[C@@H]1CCN(Cc2ccc(-c3ccccc3[N+](=O)[O-])o2)C1 ZINC000346665665 264076418 /nfs/dbraw/zinc/07/64/18/264076418.db2.gz DGDVSDZDPSOOOE-QWHCGFSZSA-N 1 1 315.373 3.024 20 5 DGBDMO C[C@H]1C[C@@H](C[NH3+])CN1Cc1ccc(-c2ccc([N+](=O)[O-])cc2)o1 ZINC000346678642 264078359 /nfs/dbraw/zinc/07/83/59/264078359.db2.gz MKOAXQBODSROGM-STQMWFEESA-N 1 1 315.373 3.024 20 5 DGBDMO COc1ccc([N+](=O)[O-])cc1C[N@@H+]1CCC[C@H]1c1cccnc1 ZINC000346977015 264131924 /nfs/dbraw/zinc/13/19/24/264131924.db2.gz HQCGRILOSGEXQT-INIZCTEOSA-N 1 1 313.357 3.336 20 5 DGBDMO COc1ccc([N+](=O)[O-])cc1C[N@H+]1CCC[C@H]1c1cccnc1 ZINC000346977015 264131925 /nfs/dbraw/zinc/13/19/25/264131925.db2.gz HQCGRILOSGEXQT-INIZCTEOSA-N 1 1 313.357 3.336 20 5 DGBDMO CC(C)(C)OCCCC[N@@H+]1CCOc2ccc([N+](=O)[O-])cc2C1 ZINC000352621135 265106820 /nfs/dbraw/zinc/10/68/20/265106820.db2.gz MDNSVVSTULOTMR-UHFFFAOYSA-N 1 1 322.405 3.385 20 5 DGBDMO CC(C)(C)OCCCC[N@H+]1CCOc2ccc([N+](=O)[O-])cc2C1 ZINC000352621135 265106823 /nfs/dbraw/zinc/10/68/23/265106823.db2.gz MDNSVVSTULOTMR-UHFFFAOYSA-N 1 1 322.405 3.385 20 5 DGBDMO CC[C@H]([NH2+]Cc1cc([N+](=O)[O-])ccc1OC)c1ccc(F)cn1 ZINC000352683865 265128390 /nfs/dbraw/zinc/12/83/90/265128390.db2.gz LTMIWSQXKDOISW-AWEZNQCLSA-N 1 1 319.336 3.378 20 5 DGBDMO C[C@@H](C(=O)Nc1ccc([N+](=O)[O-])cc1)[N@H+]1CCCC(C)(C)C1 ZINC000353276191 265372331 /nfs/dbraw/zinc/37/23/31/265372331.db2.gz UQSBDIHPMHQJAT-LBPRGKRZSA-N 1 1 305.378 3.044 20 5 DGBDMO Cc1ccccc1[C@@H](C(C)C)[N@H+](C)Cc1c([N+](=O)[O-])ncn1C ZINC000355339857 266043446 /nfs/dbraw/zinc/04/34/46/266043446.db2.gz IJSFLSGERLXWAW-MRXNPFEDSA-N 1 1 316.405 3.466 20 5 DGBDMO Cc1ccccc1[C@@H](C(C)C)[N@@H+](C)Cc1c([N+](=O)[O-])ncn1C ZINC000355339857 266043448 /nfs/dbraw/zinc/04/34/48/266043448.db2.gz IJSFLSGERLXWAW-MRXNPFEDSA-N 1 1 316.405 3.466 20 5 DGBDMO CC(C)[C@H]1C[N@@H+](C)CCN1Cc1ccc([N+](=O)[O-])cc1Cl ZINC000355366220 266051913 /nfs/dbraw/zinc/05/19/13/266051913.db2.gz NAVGKMREPMQGDJ-OAHLLOKOSA-N 1 1 311.813 3.020 20 5 DGBDMO CCOC(=O)[C@@H]1CCC[N@H+]([C@H](C)c2cc([N+](=O)[O-])ccc2C)C1 ZINC000182850102 432235635 /nfs/dbraw/zinc/23/56/35/432235635.db2.gz IZPIDMKXJSOUHR-ZIAGYGMSSA-N 1 1 320.389 3.239 20 5 DGBDMO Cc1nccn1CCC[N@H+](C)[C@H](C)c1cc([N+](=O)[O-])ccc1C ZINC000182917652 432240916 /nfs/dbraw/zinc/24/09/16/432240916.db2.gz JANNFISLUZRETF-CQSZACIVSA-N 1 1 316.405 3.491 20 5 DGBDMO COCCO[C@H]1CCC[N@H+]([C@H](C)c2cc([N+](=O)[O-])ccc2C)C1 ZINC000182944959 432245700 /nfs/dbraw/zinc/24/57/00/432245700.db2.gz OPKBYJLXQUHIPR-ZBFHGGJFSA-N 1 1 322.405 3.092 20 5 DGBDMO C[C@@H]1[C@@H](C)CCC[N@H+]1Cc1nnc(-c2ccc([N+](=O)[O-])cc2)o1 ZINC000172987114 432250220 /nfs/dbraw/zinc/25/02/20/432250220.db2.gz QZWUJVGIROXAEE-NWDGAFQWSA-N 1 1 316.361 3.265 20 5 DGBDMO O=[N+]([O-])c1ccc(F)cc1C[N@@H+]1CCC[C@H](OCC2CC2)C1 ZINC000368786201 271207851 /nfs/dbraw/zinc/20/78/51/271207851.db2.gz JBWXYUKXYGHRTL-HNNXBMFYSA-N 1 1 308.353 3.125 20 5 DGBDMO O=[N+]([O-])c1ccc(F)cc1C[N@H+]1CCC[C@H](OCC2CC2)C1 ZINC000368786201 271207853 /nfs/dbraw/zinc/20/78/53/271207853.db2.gz JBWXYUKXYGHRTL-HNNXBMFYSA-N 1 1 308.353 3.125 20 5 DGBDMO O=[N+]([O-])c1ccc(F)cc1C[N@@H+]1CCOCC2(CCCC2)C1 ZINC000369020079 271234111 /nfs/dbraw/zinc/23/41/11/271234111.db2.gz UIKLXRMCDRXNHE-UHFFFAOYSA-N 1 1 308.353 3.127 20 5 DGBDMO O=[N+]([O-])c1ccc(F)cc1C[N@H+]1CCOCC2(CCCC2)C1 ZINC000369020079 271234114 /nfs/dbraw/zinc/23/41/14/271234114.db2.gz UIKLXRMCDRXNHE-UHFFFAOYSA-N 1 1 308.353 3.127 20 5 DGBDMO COC[C@@H]1CCCC[N@@H+](Cc2ccc([N+](=O)[O-])cc2Cl)C1 ZINC000369260726 271256464 /nfs/dbraw/zinc/25/64/64/271256464.db2.gz XMQNVGQQKQEUGE-GFCCVEGCSA-N 1 1 312.797 3.497 20 5 DGBDMO C[N@@H+](Cc1nnc(-c2ccc([N+](=O)[O-])cc2)o1)C1CCCC1 ZINC000183062582 432254016 /nfs/dbraw/zinc/25/40/16/432254016.db2.gz JJGUQWWKQUXDCF-UHFFFAOYSA-N 1 1 302.334 3.019 20 5 DGBDMO COc1ccc2c(c1)[C@@H]([NH2+]Cc1ccccc1[N+](=O)[O-])CCO2 ZINC000320271456 274133132 /nfs/dbraw/zinc/13/31/32/274133132.db2.gz LZHPPZAPUMXPOU-HNNXBMFYSA-N 1 1 314.341 3.217 20 5 DGBDMO C[C@@H](CCN(C)C)[NH2+][C@H]1CC(C)(C)c2ccc([N+](=O)[O-])cc21 ZINC000433166119 274208844 /nfs/dbraw/zinc/20/88/44/274208844.db2.gz WWNFJNXMXHBWHS-LRDDRELGSA-N 1 1 305.422 3.247 20 5 DGBDMO C[C@@H]1CCCC[N@H+]1C[C@H]1CCCN(c2ncc([N+](=O)[O-])s2)C1 ZINC000249272879 274286272 /nfs/dbraw/zinc/28/62/72/274286272.db2.gz JWOGBERNRVEMKN-CHWSQXEVSA-N 1 1 324.450 3.142 20 5 DGBDMO C[C@@H]1CC[N@@H+](Cc2cc([N+](=O)[O-])cc3c2OCOC3)[C@H](C)C1 ZINC000077318944 274302646 /nfs/dbraw/zinc/30/26/46/274302646.db2.gz VNWNGDUMCRATMS-VXGBXAGGSA-N 1 1 306.362 3.082 20 5 DGBDMO O=[N+]([O-])c1ccc(CC[N@H+]2CCCC[C@@H]2c2cc[nH]n2)cc1 ZINC000285317626 275035173 /nfs/dbraw/zinc/03/51/73/275035173.db2.gz IRGODPKZFWNKRA-MRXNPFEDSA-N 1 1 300.362 3.088 20 5 DGBDMO C[C@H]1C[C@@H](Nc2ccc3cc([N+](=O)[O-])ccc3n2)C[N@H+]1C1CC1 ZINC000519613316 429471665 /nfs/dbraw/zinc/47/16/65/429471665.db2.gz NLZBYLORHNYZFG-WCQYABFASA-N 1 1 312.373 3.180 20 5 DGBDMO C[C@@H]1C[C@@H](Nc2ccc3cc([N+](=O)[O-])ccc3n2)C[N@H+]1C1CC1 ZINC000519613310 429472157 /nfs/dbraw/zinc/47/21/57/429472157.db2.gz NLZBYLORHNYZFG-DGCLKSJQSA-N 1 1 312.373 3.180 20 5 DGBDMO CC[N@@H+](Cc1cnn(C)c1)[C@@H](C)c1cc([N+](=O)[O-])ccc1C ZINC000182734077 276144148 /nfs/dbraw/zinc/14/41/48/276144148.db2.gz POFZQUBIIGYREH-ZDUSSCGKSA-N 1 1 302.378 3.220 20 5 DGBDMO C[C@H](CNc1ccc2ncccc2c1[N+](=O)[O-])[N@@H+](C)C1CC1 ZINC000112079980 431247515 /nfs/dbraw/zinc/24/75/15/431247515.db2.gz BERCDRJWPXJFIB-LLVKDONJSA-N 1 1 300.362 3.038 20 5 DGBDMO C[C@H](C(=O)Nc1ccccc1[N+](=O)[O-])[N@@H+]1CCCC(C)(C)C1 ZINC000112701989 431297194 /nfs/dbraw/zinc/29/71/94/431297194.db2.gz MPBFQUFJYLNHRO-GFCCVEGCSA-N 1 1 305.378 3.044 20 5 DGBDMO C[C@H](C(=O)Nc1ccccc1[N+](=O)[O-])[N@H+]1CCCC(C)(C)C1 ZINC000112701989 431297200 /nfs/dbraw/zinc/29/72/00/431297200.db2.gz MPBFQUFJYLNHRO-GFCCVEGCSA-N 1 1 305.378 3.044 20 5 DGBDMO Cc1c(NC(=O)[C@H](C)[N@@H+]2CCCC(C)(C)C2)cccc1[N+](=O)[O-] ZINC000112702193 431297239 /nfs/dbraw/zinc/29/72/39/431297239.db2.gz JPJMLCAIBCZCDI-ZDUSSCGKSA-N 1 1 319.405 3.352 20 5 DGBDMO Cc1c(NC(=O)[C@H](C)[N@H+]2CCCC(C)(C)C2)cccc1[N+](=O)[O-] ZINC000112702193 431297247 /nfs/dbraw/zinc/29/72/47/431297247.db2.gz JPJMLCAIBCZCDI-ZDUSSCGKSA-N 1 1 319.405 3.352 20 5 DGBDMO COc1ccc(C[N@@H+]2CCC[C@@H]2c2cccn2C)cc1[N+](=O)[O-] ZINC000076612885 431558649 /nfs/dbraw/zinc/55/86/49/431558649.db2.gz SMULXVGTMCYAIR-OAHLLOKOSA-N 1 1 315.373 3.279 20 5 DGBDMO COc1ccc(C[N@H+]2CCC[C@@H]2c2cccn2C)cc1[N+](=O)[O-] ZINC000076612885 431558656 /nfs/dbraw/zinc/55/86/56/431558656.db2.gz SMULXVGTMCYAIR-OAHLLOKOSA-N 1 1 315.373 3.279 20 5 DGBDMO CC(C)[C@@H]1CCCC[N@H+]1Cc1cc([N+](=O)[O-])cc2c1OCOC2 ZINC000117349065 431560422 /nfs/dbraw/zinc/56/04/22/431560422.db2.gz PCRQCUYKIATMDM-INIZCTEOSA-N 1 1 320.389 3.472 20 5 DGBDMO CCCC[N@@H+](CC)CC(=O)Nc1ccc(OCC)cc1[N+](=O)[O-] ZINC000027272331 431687586 /nfs/dbraw/zinc/68/75/86/431687586.db2.gz ZMMINVSJJOHULV-UHFFFAOYSA-N 1 1 323.393 3.054 20 5 DGBDMO CC[N@@H+](CCCOc1ccc([N+](=O)[O-])cc1)Cc1ccccn1 ZINC000119729273 431715370 /nfs/dbraw/zinc/71/53/70/431715370.db2.gz MNOUEWFBDWNHSW-UHFFFAOYSA-N 1 1 315.373 3.281 20 5 DGBDMO CC(C)C[C@@H]1CC[N@H+]([C@@H](C)C(=O)Nc2ccccc2[N+](=O)[O-])C1 ZINC000080746445 431774941 /nfs/dbraw/zinc/77/49/41/431774941.db2.gz MAYYXNFPFDTYKU-KBPBESRZSA-N 1 1 319.405 3.290 20 5 DGBDMO C[C@@H](O)C[C@@H]1CCCC[N@H+]1Cc1c(Cl)cccc1[N+](=O)[O-] ZINC000123718122 431872411 /nfs/dbraw/zinc/87/24/11/431872411.db2.gz IJEIRVFQMYWXKU-NEPJUHHUSA-N 1 1 312.797 3.374 20 5 DGBDMO C[C@@H]1CO[C@@H](C)C[N@@H+]1Cc1ccc(-c2cccc([N+](=O)[O-])c2)o1 ZINC000122601753 431839611 /nfs/dbraw/zinc/83/96/11/431839611.db2.gz IUWVHTSIBAIYEF-OLZOCXBDSA-N 1 1 316.357 3.464 20 5 DGBDMO C[C@@H]1CO[C@@H](C)C[N@H+]1Cc1ccc(-c2cccc([N+](=O)[O-])c2)o1 ZINC000122601753 431839612 /nfs/dbraw/zinc/83/96/12/431839612.db2.gz IUWVHTSIBAIYEF-OLZOCXBDSA-N 1 1 316.357 3.464 20 5 DGBDMO C[C@@H](O)C[C@H]1CCCC[N@H+]1Cc1cc(Cl)ccc1[N+](=O)[O-] ZINC000123758139 431874380 /nfs/dbraw/zinc/87/43/80/431874380.db2.gz HQDNNKDBVVZPJO-BXUZGUMPSA-N 1 1 312.797 3.374 20 5 DGBDMO C[N@H+]1CCC[C@H]1CCN(Cc1cccc([N+](=O)[O-])c1)C1CC1 ZINC000125637513 431931654 /nfs/dbraw/zinc/93/16/54/431931654.db2.gz FDOMIAXYMNXWHT-HNNXBMFYSA-N 1 1 303.406 3.044 20 5 DGBDMO C[N@@H+](Cc1nc(-c2ccc([N+](=O)[O-])cc2)no1)C1CCCC1 ZINC000052283967 431955776 /nfs/dbraw/zinc/95/57/76/431955776.db2.gz QMCLNNBFVYFJMA-UHFFFAOYSA-N 1 1 302.334 3.019 20 5 DGBDMO Cc1c(NC(=O)CC[N@H+](C)CCC(C)C)cccc1[N+](=O)[O-] ZINC000053365407 431963438 /nfs/dbraw/zinc/96/34/38/431963438.db2.gz GRHWLZWQZZEPRU-UHFFFAOYSA-N 1 1 307.394 3.210 20 5 DGBDMO Cc1cccc(N2CC[C@H]3[C@H](CCC[N@H+]3C3CC3)C2)c1[N+](=O)[O-] ZINC000302493859 281229889 /nfs/dbraw/zinc/22/98/89/281229889.db2.gz LEDLAOUAHZYUPB-ZBFHGGJFSA-N 1 1 315.417 3.356 20 5 DGBDMO O=[N+]([O-])c1ccc(N[C@@H]2CC[N@@H+](C/C=C/c3ccccc3)C2)nc1 ZINC000173467263 432280801 /nfs/dbraw/zinc/28/08/01/432280801.db2.gz PQJWJDSDHZHVPB-IEXSPKMKSA-N 1 1 324.384 3.189 20 5 DGBDMO Cc1ccc([N+](=O)[O-])cc1[C@H](C)N[C@@H](C)C[NH+]1CCCCC1 ZINC000151862889 432283807 /nfs/dbraw/zinc/28/38/07/432283807.db2.gz NVRIYCFEOGXOGW-GJZGRUSLSA-N 1 1 305.422 3.428 20 5 DGBDMO C[C@@H](c1cccc([N+](=O)[O-])c1)[N@@H+]1CCC[C@@H]1c1cnn(C)c1 ZINC000173652855 432292622 /nfs/dbraw/zinc/29/26/22/432292622.db2.gz BUDYQSPDODVEFF-BLLLJJGKSA-N 1 1 300.362 3.226 20 5 DGBDMO C[C@@H](c1cccc([N+](=O)[O-])c1)[N@H+]1CCC[C@@H]1c1cnn(C)c1 ZINC000173652855 432292625 /nfs/dbraw/zinc/29/26/25/432292625.db2.gz BUDYQSPDODVEFF-BLLLJJGKSA-N 1 1 300.362 3.226 20 5 DGBDMO CCC[N@@H+](C)C[C@@H]1CCN(c2cccc(OCC)c2[N+](=O)[O-])C1 ZINC000183153234 432263542 /nfs/dbraw/zinc/26/35/42/432263542.db2.gz DBYVJMYYUFRMKN-AWEZNQCLSA-N 1 1 321.421 3.162 20 5 DGBDMO C[C@@H](C[N@H+](C)Cc1c(F)cccc1[N+](=O)[O-])c1nccs1 ZINC000183959569 432338542 /nfs/dbraw/zinc/33/85/42/432338542.db2.gz ZZVKGMCSTFOAMV-JTQLQIEISA-N 1 1 309.366 3.426 20 5 DGBDMO C[C@@H](C[N@@H+](C)Cc1c(F)cccc1[N+](=O)[O-])c1nccs1 ZINC000183959569 432338545 /nfs/dbraw/zinc/33/85/45/432338545.db2.gz ZZVKGMCSTFOAMV-JTQLQIEISA-N 1 1 309.366 3.426 20 5 DGBDMO C[C@H](C[N@@H+](C)CCc1ccc([N+](=O)[O-])cc1)c1nccs1 ZINC000183995653 432343484 /nfs/dbraw/zinc/34/34/84/432343484.db2.gz KSJXSVYGGRILSA-GFCCVEGCSA-N 1 1 305.403 3.329 20 5 DGBDMO COC(=O)[C@H]1CC[N@H+]([C@H](C)c2cc([N+](=O)[O-])ccc2C)C[C@H]1C ZINC000191809199 432305240 /nfs/dbraw/zinc/30/52/40/432305240.db2.gz KLLYXFDKUNKETO-NFAWXSAZSA-N 1 1 320.389 3.095 20 5 DGBDMO C[C@@H]1C[C@H](Nc2ncc([N+](=O)[O-])s2)C[N@H+]1Cc1ccccc1 ZINC000192486437 432380724 /nfs/dbraw/zinc/38/07/24/432380724.db2.gz JWHPETSYUBTYNA-YPMHNXCESA-N 1 1 318.402 3.126 20 5 DGBDMO O=[N+]([O-])c1cc(C[NH2+][C@H](CCO)c2ccco2)ccc1Cl ZINC000184507974 432399531 /nfs/dbraw/zinc/39/95/31/432399531.db2.gz FHWUASFRCWZKQE-GFCCVEGCSA-N 1 1 310.737 3.055 20 5 DGBDMO COc1ccc(C[N@@H+]2CCC[C@@H]2c2ccncc2)cc1[N+](=O)[O-] ZINC000153894853 432454727 /nfs/dbraw/zinc/45/47/27/432454727.db2.gz ZTNMDLCBCSZKGI-OAHLLOKOSA-N 1 1 313.357 3.336 20 5 DGBDMO COc1ccc(C[N@H+]2CCC[C@@H]2c2ccncc2)cc1[N+](=O)[O-] ZINC000153894853 432454729 /nfs/dbraw/zinc/45/47/29/432454729.db2.gz ZTNMDLCBCSZKGI-OAHLLOKOSA-N 1 1 313.357 3.336 20 5 DGBDMO CC[C@H](C)[N@@H+](C)CCN[C@@H]1CCCc2ccc([N+](=O)[O-])cc21 ZINC000192808024 432417162 /nfs/dbraw/zinc/41/71/62/432417162.db2.gz LLPBYZMGILTPLL-SUMWQHHRSA-N 1 1 305.422 3.292 20 5 DGBDMO CC[C@H](C)N(C)CC[NH2+][C@@H]1CCCc2ccc([N+](=O)[O-])cc21 ZINC000192808024 432417167 /nfs/dbraw/zinc/41/71/67/432417167.db2.gz LLPBYZMGILTPLL-SUMWQHHRSA-N 1 1 305.422 3.292 20 5 DGBDMO O=[N+]([O-])c1ccn(CC[N@H+]2CCCCC[C@@H]2c2ccccc2)n1 ZINC000176212433 432501036 /nfs/dbraw/zinc/50/10/36/432501036.db2.gz CSQHHUZIFGKYTF-MRXNPFEDSA-N 1 1 314.389 3.409 20 5 DGBDMO CC(C)CC[NH2+][C@H](c1nccn1C)c1ccc([N+](=O)[O-])cc1 ZINC000272562612 432524963 /nfs/dbraw/zinc/52/49/63/432524963.db2.gz UFCSKWUCCDDRIX-HNNXBMFYSA-N 1 1 302.378 3.053 20 5 DGBDMO C[C@H](c1nnc(-c2ccc([N+](=O)[O-])cc2)o1)[N@H+]1CCC[C@H](C)C1 ZINC000263779384 432576485 /nfs/dbraw/zinc/57/64/85/432576485.db2.gz OYEXZCPTXPLTBL-NWDGAFQWSA-N 1 1 316.361 3.438 20 5 DGBDMO Cc1c([C@H](C)NCC[NH+]2CCC(C)CC2)cccc1[N+](=O)[O-] ZINC000156003492 432584872 /nfs/dbraw/zinc/58/48/72/432584872.db2.gz ZWORPFMIYHHADI-HNNXBMFYSA-N 1 1 305.422 3.286 20 5 DGBDMO COc1ccc(C[N@H+]2CCS[C@@H]3CCCC[C@@H]32)cc1[N+](=O)[O-] ZINC000177209831 432596733 /nfs/dbraw/zinc/59/67/33/432596733.db2.gz DBPQPTMZHKFCTM-XJKSGUPXSA-N 1 1 322.430 3.463 20 5 DGBDMO C[C@@H]([N@@H+](C)Cc1nc(-c2cccc([N+](=O)[O-])c2)no1)C1(C)CC1 ZINC000177215907 432598887 /nfs/dbraw/zinc/59/88/87/432598887.db2.gz DCHQKDCTLOAYSM-LLVKDONJSA-N 1 1 316.361 3.265 20 5 DGBDMO O=[N+]([O-])c1ccc(OCC[N@H+]2CC[C@@H](c3ccccc3)C2)cc1 ZINC000195737222 432634594 /nfs/dbraw/zinc/63/45/94/432634594.db2.gz KOKINJXKWSQXFI-MRXNPFEDSA-N 1 1 312.369 3.463 20 5 DGBDMO Cc1ccc2c(c1)nc(C[NH2+]Cc1cccc([N+](=O)[O-])c1)n2C ZINC000187586333 432670542 /nfs/dbraw/zinc/67/05/42/432670542.db2.gz LFNCENOACOCLQF-UHFFFAOYSA-N 1 1 310.357 3.080 20 5 DGBDMO CN1CCC([NH2+]Cc2ccc(-c3ccc([N+](=O)[O-])cc3)o2)CC1 ZINC000266084538 432751339 /nfs/dbraw/zinc/75/13/39/432751339.db2.gz GQXWSXZFDPPGKM-UHFFFAOYSA-N 1 1 315.373 3.039 20 5 DGBDMO C[N@@H+](Cc1cc(=O)oc2ccc3ccccc3c12)CC(C)(C)O ZINC000267167735 432819475 /nfs/dbraw/zinc/81/94/75/432819475.db2.gz SXVGIXPASVPSTG-UHFFFAOYSA-N 1 1 311.381 3.149 20 5 DGBDMO C[C@@H]1C[N@@H+](Cc2cc([N+](=O)[O-])cc3c2OCOC3)C(C)(C)C1 ZINC000266903347 432795480 /nfs/dbraw/zinc/79/54/80/432795480.db2.gz AHBRXMFTBVJWDI-NSHDSACASA-N 1 1 306.362 3.082 20 5 DGBDMO CCn1cc(CC[N@H+](C)Cc2cc([N+](=O)[O-])ccc2Cl)cn1 ZINC000276319264 432795793 /nfs/dbraw/zinc/79/57/93/432795793.db2.gz OITIRKPGGPAWSK-UHFFFAOYSA-N 1 1 322.796 3.139 20 5 DGBDMO CCn1cc(CC[N@@H+](C)Cc2cc([N+](=O)[O-])ccc2Cl)cn1 ZINC000276319264 432795797 /nfs/dbraw/zinc/79/57/97/432795797.db2.gz OITIRKPGGPAWSK-UHFFFAOYSA-N 1 1 322.796 3.139 20 5 DGBDMO C[C@H]1C[N@H+](C2CC2)C[C@@H]1Nc1ccc([N+](=O)[O-])c2cnccc12 ZINC000268199317 432855151 /nfs/dbraw/zinc/85/51/51/432855151.db2.gz XHCFEOLMPILLCI-ZBEGNZNMSA-N 1 1 312.373 3.038 20 5 DGBDMO CC[C@H]1CC[C@H](C)[N@H+]1CC(=O)Nc1cc([N+](=O)[O-])ccc1C ZINC000330650962 432922669 /nfs/dbraw/zinc/92/26/69/432922669.db2.gz JWOOTNOSQIPBAE-STQMWFEESA-N 1 1 305.378 3.105 20 5 DGBDMO CCOc1cc(C[N@H+]2CCS[C@@H](C)[C@@H]2C)ccc1[N+](=O)[O-] ZINC000331170456 432933606 /nfs/dbraw/zinc/93/36/06/432933606.db2.gz NZFHRXJYHSBVAY-RYUDHWBXSA-N 1 1 310.419 3.319 20 5 DGBDMO COC[C@]1(C)CC[N@@H+](Cc2cc([N+](=O)[O-])ccc2OC(C)C)C1 ZINC000296954473 432942427 /nfs/dbraw/zinc/94/24/27/432942427.db2.gz YAELCLFTTQCBBD-QGZVFWFLSA-N 1 1 322.405 3.240 20 5 DGBDMO Cc1c(C[N@H+]2CC3(CCC3)[C@@H]2[C@H]2CCCO2)cccc1[N+](=O)[O-] ZINC000289480033 432965868 /nfs/dbraw/zinc/96/58/68/432965868.db2.gz IEGFXPLJSZLMJI-SJORKVTESA-N 1 1 316.401 3.437 20 5 DGBDMO C[N@@H+](CCCCCO)Cc1ccc(-c2cccc([N+](=O)[O-])c2)o1 ZINC000279531981 432979020 /nfs/dbraw/zinc/97/90/20/432979020.db2.gz ZOFVHMDPNDETMQ-UHFFFAOYSA-N 1 1 318.373 3.449 20 5 DGBDMO Cc1cnn([C@@H]2CC[N@H+]([C@H](C)c3ccccc3[N+](=O)[O-])C2)c1 ZINC000289988930 432980290 /nfs/dbraw/zinc/98/02/90/432980290.db2.gz SFYSBRLNNWPAKI-ZIAGYGMSSA-N 1 1 300.362 3.108 20 5 DGBDMO Cc1c(C[N@H+]2CCCC[C@@H]2c2cnn(C)c2)cccc1[N+](=O)[O-] ZINC000331926251 432963764 /nfs/dbraw/zinc/96/37/64/432963764.db2.gz PAJPXTDETMLBJC-QGZVFWFLSA-N 1 1 314.389 3.364 20 5 DGBDMO Cc1c(C[N@@H+]2CCCC[C@@H]2c2cnn(C)c2)cccc1[N+](=O)[O-] ZINC000331926251 432963769 /nfs/dbraw/zinc/96/37/69/432963769.db2.gz PAJPXTDETMLBJC-QGZVFWFLSA-N 1 1 314.389 3.364 20 5 DGBDMO C[C@H](c1cccc([N+](=O)[O-])c1)[N@H+]1CCC[C@@H](c2ccnn2C)C1 ZINC000332377491 433003133 /nfs/dbraw/zinc/00/31/33/433003133.db2.gz YAQFJSCKOOTCSN-UKRRQHHQSA-N 1 1 314.389 3.269 20 5 DGBDMO Cc1ccc(C[N@@H+]2CC[C@@H](n3cc(Cl)cn3)C2)cc1[N+](=O)[O-] ZINC000290377056 433040287 /nfs/dbraw/zinc/04/02/87/433040287.db2.gz AVTBQFYNBGRFIJ-CQSZACIVSA-N 1 1 320.780 3.200 20 5 DGBDMO Cc1ccc(C[N@H+]2CC[C@@H](n3cc(Cl)cn3)C2)cc1[N+](=O)[O-] ZINC000290377056 433040292 /nfs/dbraw/zinc/04/02/92/433040292.db2.gz AVTBQFYNBGRFIJ-CQSZACIVSA-N 1 1 320.780 3.200 20 5 DGBDMO Cc1ccc(C[N@@H+]2CC[C@H](n3cc(Cl)cn3)C2)cc1[N+](=O)[O-] ZINC000290377053 433041035 /nfs/dbraw/zinc/04/10/35/433041035.db2.gz AVTBQFYNBGRFIJ-AWEZNQCLSA-N 1 1 320.780 3.200 20 5 DGBDMO Cc1ccc(C[N@H+]2CC[C@H](n3cc(Cl)cn3)C2)cc1[N+](=O)[O-] ZINC000290377053 433041038 /nfs/dbraw/zinc/04/10/38/433041038.db2.gz AVTBQFYNBGRFIJ-AWEZNQCLSA-N 1 1 320.780 3.200 20 5 DGBDMO CO[C@@]1(C)CCC[N@@H+](Cc2nc3cc([N+](=O)[O-])ccc3o2)CC1 ZINC000280380339 433044244 /nfs/dbraw/zinc/04/42/44/433044244.db2.gz LBQNRVWWXQYIMI-INIZCTEOSA-N 1 1 319.361 3.127 20 5 DGBDMO O=[N+]([O-])c1ccc2[nH]c(C[N@H+]3CC[C@H](c4ccccc4)C3)nc2c1 ZINC000361264432 433067680 /nfs/dbraw/zinc/06/76/80/433067680.db2.gz FARRESKXNLYWDB-AWEZNQCLSA-N 1 1 322.368 3.461 20 5 DGBDMO C[C@@H](O)C[C@H]1CCCC[N@H+]1C/C=C/c1ccccc1[N+](=O)[O-] ZINC000280579838 433094561 /nfs/dbraw/zinc/09/45/61/433094561.db2.gz WOWIBDCKYGTZMQ-UVMHCMFPSA-N 1 1 304.390 3.233 20 5 DGBDMO O=[N+]([O-])c1cccc([C@H](O)C[N@@H+](CC2CC2)CC2CCC2)c1 ZINC000280684963 433136183 /nfs/dbraw/zinc/13/61/83/433136183.db2.gz HCGWVTVSOZJFIW-QGZVFWFLSA-N 1 1 304.390 3.140 20 5 DGBDMO Cc1ccc(C[N@@H+]2CCC[C@H](c3nccn3C)C2)cc1[N+](=O)[O-] ZINC000373233573 433137278 /nfs/dbraw/zinc/13/72/78/433137278.db2.gz WJAOXEQWHYXMFC-HNNXBMFYSA-N 1 1 314.389 3.016 20 5 DGBDMO O=[N+]([O-])c1ccc2[nH]c(C[NH2+]Cc3cc(F)cc(F)c3)nc2c1 ZINC000446827660 433107390 /nfs/dbraw/zinc/10/73/90/433107390.db2.gz PSZADUGZYCQYHG-UHFFFAOYSA-N 1 1 318.283 3.039 20 5 DGBDMO CC(=O)c1cc(NC[C@H](C)[N@H+]2CCC[C@@H](C)C2)ccc1[N+](=O)[O-] ZINC000341540082 433121057 /nfs/dbraw/zinc/12/10/57/433121057.db2.gz YSSNBYRVTLDUNB-OLZOCXBDSA-N 1 1 319.405 3.330 20 5 DGBDMO CCCN1CCC([NH2+][C@@H]2CCCc3ccc([N+](=O)[O-])cc32)CC1 ZINC000447515026 433209802 /nfs/dbraw/zinc/20/98/02/433209802.db2.gz JBKYOXVMTFYSKF-GOSISDBHSA-N 1 1 317.433 3.436 20 5 DGBDMO CC(C)n1cncc1C[N@@H+](C)CCc1ccccc1[N+](=O)[O-] ZINC000425377189 433210142 /nfs/dbraw/zinc/21/01/42/433210142.db2.gz GNBLIRPAKLGQPO-UHFFFAOYSA-N 1 1 302.378 3.047 20 5 DGBDMO CCC[C@@]1(COC)CCC[N@H+]1CCOc1ccccc1[N+](=O)[O-] ZINC000447393883 433194611 /nfs/dbraw/zinc/19/46/11/433194611.db2.gz GSOKZUQVWGCJTG-KRWDZBQOSA-N 1 1 322.405 3.255 20 5 DGBDMO CC(C)C[C@@H]1CCC[N@H+]1CCC(=O)Nc1ccccc1[N+](=O)[O-] ZINC000337330021 433222148 /nfs/dbraw/zinc/22/21/48/433222148.db2.gz FYBYEUXTTDXYLH-AWEZNQCLSA-N 1 1 319.405 3.434 20 5 DGBDMO CN(C)CC(C)(C)[NH2+]Cc1ccc(-c2ccc([N+](=O)[O-])cc2)o1 ZINC000453595905 433226770 /nfs/dbraw/zinc/22/67/70/433226770.db2.gz IIDFPPUGKXEVQL-UHFFFAOYSA-N 1 1 317.389 3.285 20 5 DGBDMO COc1ccc(OCC[N@@H+](CC2CC2)C2CCC2)c([N+](=O)[O-])c1 ZINC000361571358 433257033 /nfs/dbraw/zinc/25/70/33/433257033.db2.gz KIMWGLPFNAEOAF-UHFFFAOYSA-N 1 1 320.389 3.247 20 5 DGBDMO CC(=O)c1ccc(NC[C@H]2[N@@H+](C)CCCC2(C)C)c([N+](=O)[O-])c1 ZINC000447813414 433287265 /nfs/dbraw/zinc/28/72/65/433287265.db2.gz RRGIVFUHWLQGQA-MRXNPFEDSA-N 1 1 319.405 3.330 20 5 DGBDMO CCCc1nc(C)c(C[NH2+]Cc2ccc(OC)c([N+](=O)[O-])c2)o1 ZINC000291630720 433294191 /nfs/dbraw/zinc/29/41/91/433294191.db2.gz AMMKHAOGRFQAOP-UHFFFAOYSA-N 1 1 319.361 3.142 20 5 DGBDMO COC(=O)C(C)(C)CC[N@@H+](Cc1ccccc1[N+](=O)[O-])C1CC1 ZINC000338564957 433306488 /nfs/dbraw/zinc/30/64/88/433306488.db2.gz UMXAVXUCIDYWFO-UHFFFAOYSA-N 1 1 320.389 3.149 20 5 DGBDMO C[C@@H]([NH2+][C@@H](C)c1cccc([N+](=O)[O-])c1)c1cc2n(n1)CCC2 ZINC000414071858 433376135 /nfs/dbraw/zinc/37/61/35/433376135.db2.gz MAMGTMROBQLBOF-NWDGAFQWSA-N 1 1 300.362 3.149 20 5 DGBDMO O=[N+]([O-])c1cccc(Cl)c1C[N@H+]1CC[C@H](O)CC12CCC2 ZINC000421003705 433378810 /nfs/dbraw/zinc/37/88/10/433378810.db2.gz ZIBAEPYSESZEHC-NSHDSACASA-N 1 1 310.781 3.128 20 5 DGBDMO O=[N+]([O-])c1cccc(Cl)c1C[N@@H+]1CC[C@H](O)CC12CCC2 ZINC000421003705 433378817 /nfs/dbraw/zinc/37/88/17/433378817.db2.gz ZIBAEPYSESZEHC-NSHDSACASA-N 1 1 310.781 3.128 20 5 DGBDMO C[C@H]1[C@H](CO)CC[N@H+]1Cc1ccc(-c2ccc([N+](=O)[O-])cc2)o1 ZINC000425971562 433388610 /nfs/dbraw/zinc/38/86/10/433388610.db2.gz QKVGBIIYKSNRSV-JSGCOSHPSA-N 1 1 316.357 3.058 20 5 DGBDMO Cc1ccc([N+](=O)[O-])cc1[C@@H](C)[N@H+]1CCC[C@H](CCO)CC1 ZINC000421025022 433390459 /nfs/dbraw/zinc/39/04/59/433390459.db2.gz XXKBSCWRLIMAHG-CABCVRRESA-N 1 1 306.406 3.449 20 5 DGBDMO COCC[N@@H+](Cc1ccc([N+](=O)[O-])cc1C)[C@@H]1CCCSC1 ZINC000448374254 433403728 /nfs/dbraw/zinc/40/37/28/433403728.db2.gz KSVHIXZVBCLGAQ-MRXNPFEDSA-N 1 1 324.446 3.247 20 5 DGBDMO C[C@@H]([NH2+][C@@H](C)c1ccc([N+](=O)[O-])cc1)c1cc2n(n1)CCC2 ZINC000414140814 433422370 /nfs/dbraw/zinc/42/23/70/433422370.db2.gz LUXLIPYYCBEKLB-NWDGAFQWSA-N 1 1 300.362 3.149 20 5 DGBDMO CC[N@@H+](CCOc1ccc(OC)cc1[N+](=O)[O-])CCC1CC1 ZINC000355067254 433448204 /nfs/dbraw/zinc/44/82/04/433448204.db2.gz UMOSXGFJRPIOMO-UHFFFAOYSA-N 1 1 308.378 3.104 20 5 DGBDMO Cc1cc([N+](=O)[O-])cnc1NCCC[N@@H+]1C[C@H](C)C[C@H](C)C1 ZINC000301210354 433455518 /nfs/dbraw/zinc/45/55/18/433455518.db2.gz WGELBOHGYVAXEB-BETUJISGSA-N 1 1 306.410 3.078 20 5 DGBDMO CCO[C@H]1C[C@H]([N@@H+](C)Cc2cccc([N+](=O)[O-])c2)C12CCC2 ZINC000355175234 433511958 /nfs/dbraw/zinc/51/19/58/433511958.db2.gz LUPBYRPUMCMURF-HOTGVXAUSA-N 1 1 304.390 3.374 20 5 DGBDMO CCOc1ccc([N+](=O)[O-])cc1C[NH2+]Cc1cc(C)nc(C)c1 ZINC000421376224 433519180 /nfs/dbraw/zinc/51/91/80/433519180.db2.gz JCDWFHNLGMQXQE-UHFFFAOYSA-N 1 1 315.373 3.295 20 5 DGBDMO O=[N+]([O-])c1cccnc1NC[C@H]1CCC[N@H+]1Cc1ccccc1 ZINC000301278779 433485949 /nfs/dbraw/zinc/48/59/49/433485949.db2.gz JJELBBBGCLTLMP-OAHLLOKOSA-N 1 1 312.373 3.066 20 5 DGBDMO Cc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@H+]1CC[C@H]2CCC[C@@H]21 ZINC000426453172 433502465 /nfs/dbraw/zinc/50/24/65/433502465.db2.gz CZTHZTYIVPXWFN-CJNGLKHVSA-N 1 1 317.389 3.106 20 5 DGBDMO Cc1c(NC(=O)CC[N@H+]2CC[C@@H]3CCC[C@@H]32)cccc1[N+](=O)[O-] ZINC000426467606 433505334 /nfs/dbraw/zinc/50/53/34/433505334.db2.gz HIWHRIUIVVVAHR-BBRMVZONSA-N 1 1 317.389 3.106 20 5 DGBDMO Cc1c(NC(=O)CC[N@H+]2CC[C@@H]3CCC[C@H]32)cccc1[N+](=O)[O-] ZINC000426467609 433505352 /nfs/dbraw/zinc/50/53/52/433505352.db2.gz HIWHRIUIVVVAHR-XJKSGUPXSA-N 1 1 317.389 3.106 20 5 DGBDMO Cc1cnc(N[C@H](C)C[N@@H+]2C[C@H](C)C[C@H](C)C2)c([N+](=O)[O-])c1 ZINC000301428447 433549458 /nfs/dbraw/zinc/54/94/58/433549458.db2.gz HVCACRVLCQHLLQ-HZSPNIEDSA-N 1 1 306.410 3.077 20 5 DGBDMO COCC[N@H+](Cc1c(F)cccc1[N+](=O)[O-])[C@H]1CC[C@H](C)C1 ZINC000362169249 433558318 /nfs/dbraw/zinc/55/83/18/433558318.db2.gz FUPODKKGFXEYNJ-STQMWFEESA-N 1 1 310.369 3.371 20 5 DGBDMO COCC[N@@H+](Cc1c(F)cccc1[N+](=O)[O-])[C@H]1CC[C@H](C)C1 ZINC000362169249 433558324 /nfs/dbraw/zinc/55/83/24/433558324.db2.gz FUPODKKGFXEYNJ-STQMWFEESA-N 1 1 310.369 3.371 20 5 DGBDMO CC[C@H]1CCCC[N@H+]1CC(=O)Nc1ccc([N+](=O)[O-])cc1C ZINC000301492760 433580891 /nfs/dbraw/zinc/58/08/91/433580891.db2.gz QDKYSRGYYBMGJB-ZDUSSCGKSA-N 1 1 305.378 3.106 20 5 DGBDMO Cc1cc([N+](=O)[O-])ccc1N1CC[NH+](Cc2cccs2)CC1 ZINC000301425923 433548378 /nfs/dbraw/zinc/54/83/78/433548378.db2.gz CKXCSPSRRSKOLW-UHFFFAOYSA-N 1 1 317.414 3.287 20 5 DGBDMO O=C(CC[N@H+]1CCC[C@@H]2CCC[C@H]21)Nc1ccccc1[N+](=O)[O-] ZINC000283196280 433690390 /nfs/dbraw/zinc/69/03/90/433690390.db2.gz GCATYVZKSSWEKX-DZGCQCFKSA-N 1 1 317.389 3.188 20 5 DGBDMO Cc1cc(N2CC[C@H]3[C@H](CCC[N@@H+]3C)C2)c(Cl)cc1[N+](=O)[O-] ZINC000301727449 433696162 /nfs/dbraw/zinc/69/61/62/433696162.db2.gz VTWOEKOTEGAMSA-OCCSQVGLSA-N 1 1 323.824 3.477 20 5 DGBDMO Cc1ccc(C)c([C@H]2CCC[N@@H+]2Cc2c([N+](=O)[O-])ncn2C)c1 ZINC000370540695 293178103 /nfs/dbraw/zinc/17/81/03/293178103.db2.gz VYKCCYUNLARAJK-OAHLLOKOSA-N 1 1 314.389 3.282 20 5 DGBDMO O=C(CC[N@H+]1CCC[C@H]1C1CCC1)Nc1ccccc1[N+](=O)[O-] ZINC000374292620 293378916 /nfs/dbraw/zinc/37/89/16/293378916.db2.gz NSTICSWJQFVUNR-HNNXBMFYSA-N 1 1 317.389 3.188 20 5 DGBDMO C[C@H](C(=O)Nc1ccccc1[N+](=O)[O-])[N@H+]1CC[C@H](CC2CC2)C1 ZINC000339676661 433726702 /nfs/dbraw/zinc/72/67/02/433726702.db2.gz XSALMKKCIXUMMW-TZMCWYRMSA-N 1 1 317.389 3.044 20 5 DGBDMO C[C@@H](C(=O)Nc1cccc([N+](=O)[O-])c1)[N@H+]1CC[C@@H](CC2CC2)C1 ZINC000339685305 433729980 /nfs/dbraw/zinc/72/99/80/433729980.db2.gz YEKXQUGIJXALOM-JSGCOSHPSA-N 1 1 317.389 3.044 20 5 DGBDMO Cn1nccc1C1=C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1[N+](=O)[O-] ZINC000283626813 433754079 /nfs/dbraw/zinc/75/40/79/433754079.db2.gz BDXDBFLOOPYAHW-CVEARBPZSA-N 1 1 324.384 3.149 20 5 DGBDMO Cn1nccc1C1=C[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccccc1[N+](=O)[O-] ZINC000283626813 433754087 /nfs/dbraw/zinc/75/40/87/433754087.db2.gz BDXDBFLOOPYAHW-CVEARBPZSA-N 1 1 324.384 3.149 20 5 DGBDMO COCCC[N@@H+](C)Cc1cc([N+](=O)[O-])ccc1C(F)(F)F ZINC000293506026 433760093 /nfs/dbraw/zinc/76/00/93/433760093.db2.gz NZSOGMIJZRKZPD-UHFFFAOYSA-N 1 1 306.284 3.082 20 5 DGBDMO C/C(=C\c1cccc([N+](=O)[O-])c1)C[N@H+]1CC(C)(C)[C@@H]2COC[C@@H]21 ZINC000449783005 433794167 /nfs/dbraw/zinc/79/41/67/433794167.db2.gz MQJCLIFMTZJUAY-NQADVFLWSA-N 1 1 316.401 3.355 20 5 DGBDMO CC1(C)CCC[N@H+]1CCNC/C=C\c1ccccc1[N+](=O)[O-] ZINC000449784816 433799752 /nfs/dbraw/zinc/79/97/52/433799752.db2.gz YMHHNIIRRVXXMX-YVMONPNESA-N 1 1 303.406 3.072 20 5 DGBDMO CC1(C)CCCN1CC[NH2+]C/C=C\c1ccccc1[N+](=O)[O-] ZINC000449784816 433799765 /nfs/dbraw/zinc/79/97/65/433799765.db2.gz YMHHNIIRRVXXMX-YVMONPNESA-N 1 1 303.406 3.072 20 5 DGBDMO Cc1cc([N+](=O)[O-])cc(Cl)c1N1CC[C@@H]2[C@H](CCC[N@@H+]2C)C1 ZINC000302833988 433877846 /nfs/dbraw/zinc/87/78/46/433877846.db2.gz SXHJRICTVSLZRL-IUODEOHRSA-N 1 1 323.824 3.477 20 5 DGBDMO NC[C@H]([NH2+]Cc1ccc(-c2ccccc2[N+](=O)[O-])s1)C1CC1 ZINC000414798523 433843160 /nfs/dbraw/zinc/84/31/60/433843160.db2.gz JKPPZUUPXZIOAO-AWEZNQCLSA-N 1 1 317.414 3.150 20 5 DGBDMO C[C@H]1Oc2cc(F)ccc2[C@@H]1[NH2+]Cc1ccc([N+](=O)[O-])cc1 ZINC000377394814 433870133 /nfs/dbraw/zinc/87/01/33/433870133.db2.gz AEUIQPSUNOFJFC-QLJPJBMISA-N 1 1 302.305 3.346 20 5 DGBDMO [NH3+][C@H]1CCC[C@H](NCc2ccc(-c3ccc([N+](=O)[O-])cc3)o2)C1 ZINC000414909910 433912149 /nfs/dbraw/zinc/91/21/49/433912149.db2.gz CQRNGXFRQRSFAT-KBPBESRZSA-N 1 1 315.373 3.214 20 5 DGBDMO [NH3+][C@H]1CCC[C@@H](NCc2ccc(-c3ccc([N+](=O)[O-])cc3)o2)C1 ZINC000414909913 433913363 /nfs/dbraw/zinc/91/33/63/433913363.db2.gz CQRNGXFRQRSFAT-UONOGXRCSA-N 1 1 315.373 3.214 20 5 DGBDMO [NH3+][C@H]1CCC[C@H](NCc2ccc(-c3ccccc3[N+](=O)[O-])o2)C1 ZINC000414933995 433920961 /nfs/dbraw/zinc/92/09/61/433920961.db2.gz XNPPUKBLCFURAV-STQMWFEESA-N 1 1 315.373 3.214 20 5 DGBDMO CCCCC[C@@H]1CCC[N@H+]1Cc1ccc(C(N)=O)cc1[N+](=O)[O-] ZINC000362960449 433930986 /nfs/dbraw/zinc/93/09/86/433930986.db2.gz NSJNNWLKMKSSGR-OAHLLOKOSA-N 1 1 319.405 3.238 20 5 DGBDMO C[NH2+]CCCNCc1ccc(-c2ccc([N+](=O)[O-])cc2)s1 ZINC000414858706 433885724 /nfs/dbraw/zinc/88/57/24/433885724.db2.gz KSJISYYKUJLNEC-UHFFFAOYSA-N 1 1 305.403 3.022 20 5 DGBDMO O=[N+]([O-])c1ccc(N[C@@H]2CC[N@@H+](Cc3ccccc3)C2)c(F)c1 ZINC000302862346 433887447 /nfs/dbraw/zinc/88/74/47/433887447.db2.gz CXOXXKORAGIUAA-CQSZACIVSA-N 1 1 315.348 3.420 20 5 DGBDMO CC(C)[C@@]1(CO)CCC[N@@H+](C/C=C/c2ccccc2[N+](=O)[O-])C1 ZINC000294051319 433976530 /nfs/dbraw/zinc/97/65/30/433976530.db2.gz PLNDZIOXZDRUJW-MOTZXUDYSA-N 1 1 318.417 3.339 20 5 DGBDMO CC(C)[C@]1(CO)CCC[N@@H+](C/C=C/c2ccccc2[N+](=O)[O-])C1 ZINC000294051316 433977487 /nfs/dbraw/zinc/97/74/87/433977487.db2.gz PLNDZIOXZDRUJW-KRZKXXONSA-N 1 1 318.417 3.339 20 5 DGBDMO C[C@@H]1CC[C@H](C)[N@@H+]1[C@@H]1CCCN(Cc2csc([N+](=O)[O-])c2)C1 ZINC000352310021 434040451 /nfs/dbraw/zinc/04/04/51/434040451.db2.gz FMNVEPQGVNWLAL-VNHYZAJKSA-N 1 1 323.462 3.494 20 5 DGBDMO O=[N+]([O-])c1cccc(C[NH2+][C@H]2COc3c2cccc3Cl)c1 ZINC000378085365 434078959 /nfs/dbraw/zinc/07/89/59/434078959.db2.gz CKMZHYWNTCRCRP-AWEZNQCLSA-N 1 1 304.733 3.472 20 5 DGBDMO O=[N+]([O-])c1ccc(C[NH2+][C@@H]2COc3c2cccc3Cl)cc1 ZINC000378093825 434081351 /nfs/dbraw/zinc/08/13/51/434081351.db2.gz OLBVLSWXWDGYLF-CQSZACIVSA-N 1 1 304.733 3.472 20 5 DGBDMO N[C@@H]1CCCCC[C@@H]1[NH2+]CCCCc1ccc([N+](=O)[O-])cc1 ZINC000422918509 434105546 /nfs/dbraw/zinc/10/55/46/434105546.db2.gz IJPOJLRWFHNFPY-SJORKVTESA-N 1 1 305.422 3.167 20 5 DGBDMO CC(C)CCC[NH2+][C@H](c1nccn1C)c1cccc([N+](=O)[O-])c1 ZINC000353398253 434108845 /nfs/dbraw/zinc/10/88/45/434108845.db2.gz ZQQXZNGUXRRQJZ-INIZCTEOSA-N 1 1 316.405 3.444 20 5 DGBDMO Cc1cccc([N+](=O)[O-])c1NC(=O)C[N@@H+]1CCC[C@@H]1CC(C)C ZINC000500457598 294113864 /nfs/dbraw/zinc/11/38/64/294113864.db2.gz PXQJIYPEVMUNAB-CQSZACIVSA-N 1 1 319.405 3.352 20 5 DGBDMO C[C@@H]1CCC[N@H+](Cc2cc([N+](=O)[O-])ccc2OC(F)F)C1 ZINC000505314548 294234304 /nfs/dbraw/zinc/23/43/04/294234304.db2.gz ORMZYOGGMCATQV-SNVBAGLBSA-N 1 1 300.305 3.428 20 5 DGBDMO C[C@@H]1CCC[N@@H+](Cc2cc([N+](=O)[O-])ccc2OC(F)F)C1 ZINC000505314548 294234306 /nfs/dbraw/zinc/23/43/06/294234306.db2.gz ORMZYOGGMCATQV-SNVBAGLBSA-N 1 1 300.305 3.428 20 5 DGBDMO COCC[N@@H+](Cc1ccc(-c2ccccc2[N+](=O)[O-])o1)C1CC1 ZINC000507161738 294285264 /nfs/dbraw/zinc/28/52/64/294285264.db2.gz SIVHOYACUOCCGM-UHFFFAOYSA-N 1 1 316.357 3.466 20 5 DGBDMO CC[C@@H]1CCCC[N@H+]1CCNc1ccc([N+](=O)[O-])cc1COC ZINC000353442397 434138637 /nfs/dbraw/zinc/13/86/37/434138637.db2.gz VHASZYAAGQHTLJ-OAHLLOKOSA-N 1 1 321.421 3.418 20 5 DGBDMO COc1ccc(C[N@H+]2CCCCC[C@H]2C[C@@H](C)O)cc1[N+](=O)[O-] ZINC000286035939 434145735 /nfs/dbraw/zinc/14/57/35/434145735.db2.gz QOKBLTZSFDGCKY-HIFRSBDPSA-N 1 1 322.405 3.119 20 5 DGBDMO Cc1c([C@H](C)N[C@H]2CC[N@H+]3CCC[C@H]3C2)cccc1[N+](=O)[O-] ZINC000363791580 434150031 /nfs/dbraw/zinc/15/00/31/434150031.db2.gz JWIRHWMUKMFAEY-KKUMJFAQSA-N 1 1 303.406 3.181 20 5 DGBDMO O=[N+]([O-])c1ccc(N[C@@H]2CC[N@H+](C3CC3)C2)cc1C(F)(F)F ZINC000314956663 434152667 /nfs/dbraw/zinc/15/26/67/434152667.db2.gz NWPYSDHHPCYYDO-SNVBAGLBSA-N 1 1 315.295 3.262 20 5 DGBDMO C[C@H]1[C@@H](Nc2nccc3c2cccc3[N+](=O)[O-])CCC[N@H+]1C ZINC000450442726 434183470 /nfs/dbraw/zinc/18/34/70/434183470.db2.gz TYYSXBGPMXKPOH-FZMZJTMJSA-N 1 1 300.362 3.038 20 5 DGBDMO COc1cc(C[N@H+]2CC[C@@H](CC(C)C)C2)c([N+](=O)[O-])cc1OC ZINC000353590954 434256289 /nfs/dbraw/zinc/25/62/89/434256289.db2.gz HQOXUIRTJMWXNS-ZDUSSCGKSA-N 1 1 322.405 3.480 20 5 DGBDMO CCC1(CC)CC[N@@H+](Cc2cc([N+](=O)[O-])cc3c2OCOC3)C1 ZINC000353610410 434266022 /nfs/dbraw/zinc/26/60/22/434266022.db2.gz UYZAZSWZMCCDNJ-UHFFFAOYSA-N 1 1 320.389 3.473 20 5 DGBDMO COc1ccc([N+](=O)[O-])cc1Cn1c[nH+]c2c1C[C@H](C)[C@H](C)C2 ZINC000323944335 434272728 /nfs/dbraw/zinc/27/27/28/434272728.db2.gz BFRCGAWLCWPEHN-NEPJUHHUSA-N 1 1 315.373 3.219 20 5 DGBDMO CC(C)[N@H+](C)C[C@@H](C)N[C@@H]1CCCc2ccc([N+](=O)[O-])cc21 ZINC000353568476 434232586 /nfs/dbraw/zinc/23/25/86/434232586.db2.gz JMJAWCHZGRTCJZ-CXAGYDPISA-N 1 1 305.422 3.291 20 5 DGBDMO CC(C)N(C)C[C@@H](C)[NH2+][C@@H]1CCCc2ccc([N+](=O)[O-])cc21 ZINC000353568476 434232590 /nfs/dbraw/zinc/23/25/90/434232590.db2.gz JMJAWCHZGRTCJZ-CXAGYDPISA-N 1 1 305.422 3.291 20 5 DGBDMO O=[N+]([O-])c1ccc(C[NH2+][C@@H]2CCc3c2cccc3O)c(F)c1 ZINC000295163602 434239513 /nfs/dbraw/zinc/23/95/13/434239513.db2.gz SLHVAKIXNOTEFD-OAHLLOKOSA-N 1 1 302.305 3.217 20 5 DGBDMO CCC1(C[NH2+][C@H](c2nccn2C)c2cccc([N+](=O)[O-])c2)CC1 ZINC000353627167 434285550 /nfs/dbraw/zinc/28/55/50/434285550.db2.gz ZASJTYJRUNRPCG-HNNXBMFYSA-N 1 1 314.389 3.198 20 5 DGBDMO O=[N+]([O-])c1ccc(OCC[N@H+]2CCS[C@@H]3CCCC[C@H]32)cc1 ZINC000437544608 434286133 /nfs/dbraw/zinc/28/61/33/434286133.db2.gz IJRCZDGTAGJMCY-HZPDHXFCSA-N 1 1 322.430 3.334 20 5 DGBDMO C[C@H]([NH2+]Cc1cn2ccsc2n1)c1ccc([N+](=O)[O-])cc1 ZINC000358078867 434321714 /nfs/dbraw/zinc/32/17/14/434321714.db2.gz FDNVXILQKDQKHV-JTQLQIEISA-N 1 1 302.359 3.155 20 5 DGBDMO O=[N+]([O-])c1ccc(OCCCn2c[nH+]c3c2CCCC3)cc1 ZINC000295391825 434339718 /nfs/dbraw/zinc/33/97/18/434339718.db2.gz VENKYQIRSZXVHY-UHFFFAOYSA-N 1 1 301.346 3.139 20 5 DGBDMO Cc1cc(C[NH2+][C@@H]2CCCCc3ccc([N+](=O)[O-])cc32)on1 ZINC000417318263 434356033 /nfs/dbraw/zinc/35/60/33/434356033.db2.gz YLDRGGOLWYRVSV-MRXNPFEDSA-N 1 1 301.346 3.449 20 5 DGBDMO C[N@@H+](Cc1ccc(-c2ccc([N+](=O)[O-])cc2)o1)[C@H]1CCC[C@@H]1O ZINC000348559852 434400559 /nfs/dbraw/zinc/40/05/59/434400559.db2.gz UFWLPPHTOLGEFI-HOTGVXAUSA-N 1 1 316.357 3.200 20 5 DGBDMO CC(C)[C@@H]1CCC[N@@H+](Cc2cc([N+](=O)[O-])cc3c2OCOC3)C1 ZINC000438337939 434460720 /nfs/dbraw/zinc/46/07/20/434460720.db2.gz BQUAFYLFSFURRW-CYBMUJFWSA-N 1 1 320.389 3.329 20 5 DGBDMO CCOc1ccc([C@@H](C)[NH2+][C@@H](CN)C2CCCC2)cc1[N+](=O)[O-] ZINC000423512066 434467220 /nfs/dbraw/zinc/46/72/20/434467220.db2.gz UMRWFQBNLHFOEV-DOMZBBRYSA-N 1 1 321.421 3.162 20 5 DGBDMO CC(C)[N@H+]1CCCN(Cc2ccc([N+](=O)[O-])cc2Cl)CC1 ZINC000360009332 434474330 /nfs/dbraw/zinc/47/43/30/434474330.db2.gz CQAIHWWDHDKOOB-UHFFFAOYSA-N 1 1 311.813 3.164 20 5 DGBDMO Cc1c([C@@H](C)[NH2+][C@@H](c2nccn2C)C2CC2)cccc1[N+](=O)[O-] ZINC000353893232 434508414 /nfs/dbraw/zinc/50/84/14/434508414.db2.gz ZSTLPJJFNASZMM-MLGOLLRUSA-N 1 1 314.389 3.439 20 5 DGBDMO C[C@H]1Cc2[nH+]cn(CCOc3ccccc3[N+](=O)[O-])c2C[C@@H]1C ZINC000450994358 434520642 /nfs/dbraw/zinc/52/06/42/434520642.db2.gz CGGYCKCZJOTZFP-STQMWFEESA-N 1 1 315.373 3.241 20 5 DGBDMO C[C@@H]1C[C@@H](c2ccccc2)[C@H](C)[N@H+]1Cc1c([N+](=O)[O-])ncn1C ZINC000451187263 434560408 /nfs/dbraw/zinc/56/04/08/434560408.db2.gz PDEPBNQUMFGEPF-VNHYZAJKSA-N 1 1 314.389 3.095 20 5 DGBDMO Cc1cc(N2CCC[C@@H]([N@@H+]3[C@H](C)CC[C@@H]3C)C2)ncc1[N+](=O)[O-] ZINC000408278850 434559580 /nfs/dbraw/zinc/55/95/80/434559580.db2.gz YRZACERHHJBBRD-QLFBSQMISA-N 1 1 318.421 3.140 20 5 DGBDMO CCO[C@H]1C[C@H]([N@@H+](C)CCOc2cccc([N+](=O)[O-])c2)C1(C)C ZINC000525409138 295014409 /nfs/dbraw/zinc/01/44/09/295014409.db2.gz PJDZVFIBZOVMMV-HOTGVXAUSA-N 1 1 322.405 3.109 20 5 DGBDMO C[NH+](C)C1(CNCc2ccc(-c3ccc([N+](=O)[O-])cc3)o2)CC1 ZINC000418112503 434589518 /nfs/dbraw/zinc/58/95/18/434589518.db2.gz HKFGSLQMCJBLJH-UHFFFAOYSA-N 1 1 315.373 3.039 20 5 DGBDMO N[C@@H]1CCCC[C@H]1[NH2+][C@@H]1CCC[C@H]1Cc1ccccc1[N+](=O)[O-] ZINC000424380353 295301182 /nfs/dbraw/zinc/30/11/82/295301182.db2.gz WXRKTGWGRCQRDZ-RKTXRCNFSA-N 1 1 317.433 3.166 20 5 DGBDMO C[N@@H+](Cc1nnc(-c2ccc([N+](=O)[O-])cc2)o1)C1CC(C)(C)C1 ZINC000459745365 434691794 /nfs/dbraw/zinc/69/17/94/434691794.db2.gz SMLSTJNGPFZGAW-UHFFFAOYSA-N 1 1 316.361 3.265 20 5 DGBDMO CCOc1ccc([C@H](C)NCCC[N@@H+](C)C(C)C)cc1[N+](=O)[O-] ZINC000349245971 434649913 /nfs/dbraw/zinc/64/99/13/434649913.db2.gz JDAZABBMOJCBNX-AWEZNQCLSA-N 1 1 323.437 3.374 20 5 DGBDMO O=[N+]([O-])c1cccc(F)c1C[NH+]1CCC(OC2CCC2)CC1 ZINC000419284577 434763697 /nfs/dbraw/zinc/76/36/97/434763697.db2.gz LMPAZBWHNGKYAT-UHFFFAOYSA-N 1 1 308.353 3.267 20 5 DGBDMO C[C@@H]1CCC[C@H](C)[N@@H+](Cc2nc3cc([N+](=O)[O-])ccc3[nH]2)C1 ZINC000444638757 434787344 /nfs/dbraw/zinc/78/73/44/434787344.db2.gz LVBNBXQTKYKHRR-NEPJUHHUSA-N 1 1 302.378 3.482 20 5 DGBDMO COC[C@@H]1CCCC[N@@H+](CCCOc2ccc([N+](=O)[O-])cc2)C1 ZINC000372095374 434796813 /nfs/dbraw/zinc/79/68/13/434796813.db2.gz NYAONGACLDFDDG-OAHLLOKOSA-N 1 1 322.405 3.112 20 5 DGBDMO C[C@H](C(=O)Nc1ccccc1[N+](=O)[O-])[N@H+]1CC(C)(C)C[C@H]1C ZINC000412050176 434862566 /nfs/dbraw/zinc/86/25/66/434862566.db2.gz XQWNREFHQJVKJV-VXGBXAGGSA-N 1 1 305.378 3.042 20 5 DGBDMO C[C@H]1CCC(C)(C)[N@H+]1CCC(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000411799911 434830592 /nfs/dbraw/zinc/83/05/92/434830592.db2.gz BTTXFUCSQBCLSW-LBPRGKRZSA-N 1 1 305.378 3.186 20 5 DGBDMO COc1ccc([N+](=O)[O-])cc1C[N@H+]1CCSC2(CCC2)CC1 ZINC000411869585 434836213 /nfs/dbraw/zinc/83/62/13/434836213.db2.gz NCMNQIVCJIPZLU-UHFFFAOYSA-N 1 1 322.430 3.465 20 5 DGBDMO C[C@H](C(=O)Nc1cccc([N+](=O)[O-])c1)[N@H+]1CC(C)(C)C[C@H]1C ZINC000412042020 434859170 /nfs/dbraw/zinc/85/91/70/434859170.db2.gz MARULWYTVBMSLS-VXGBXAGGSA-N 1 1 305.378 3.042 20 5 DGBDMO Cc1cc(NC[C@H]2CCCC[N@H+]2C2CC2)c(F)cc1[N+](=O)[O-] ZINC000461950180 434892746 /nfs/dbraw/zinc/89/27/46/434892746.db2.gz TVJZQHOCYVARMF-CYBMUJFWSA-N 1 1 307.369 3.471 20 5 DGBDMO O=[N+]([O-])c1cc(F)ccc1N[C@H]1CC[N@@H+](CC2CCCC2)C1 ZINC000462936547 434936184 /nfs/dbraw/zinc/93/61/84/434936184.db2.gz RMPVOEUPWFQLDU-AWEZNQCLSA-N 1 1 307.369 3.410 20 5 DGBDMO CC[C@H]1CCCC[N@H+]1CCNc1cc(OC)ccc1[N+](=O)[O-] ZINC000462833681 434933519 /nfs/dbraw/zinc/93/35/19/434933519.db2.gz MYILXVMSOKDXNG-ZDUSSCGKSA-N 1 1 307.394 3.280 20 5 DGBDMO CCC[C@H]1[C@H](C)CCC[N@H+]1CC(=O)Nc1ccccc1[N+](=O)[O-] ZINC000464740277 434995336 /nfs/dbraw/zinc/99/53/36/434995336.db2.gz QATHSECNPFJSMA-HIFRSBDPSA-N 1 1 319.405 3.434 20 5 DGBDMO CC[C@]1(C)CCC[N@H+](CC(=O)Nc2ccc([N+](=O)[O-])cc2C)C1 ZINC000464769577 434998252 /nfs/dbraw/zinc/99/82/52/434998252.db2.gz COMSLHQKGZAJEH-QGZVFWFLSA-N 1 1 319.405 3.354 20 5 DGBDMO CC[C@]1(C)CCC[N@@H+](CC(=O)Nc2ccc([N+](=O)[O-])cc2C)C1 ZINC000464769577 434998256 /nfs/dbraw/zinc/99/82/56/434998256.db2.gz COMSLHQKGZAJEH-QGZVFWFLSA-N 1 1 319.405 3.354 20 5 DGBDMO COc1ccc(C[N@@H+]2CCC[C@H]2c2ccccn2)cc1[N+](=O)[O-] ZINC000531439111 435094301 /nfs/dbraw/zinc/09/43/01/435094301.db2.gz JRZPCYYTHRIKOE-HNNXBMFYSA-N 1 1 313.357 3.336 20 5 DGBDMO COc1ccc(C[N@H+]2CCC[C@H]2c2ccccn2)cc1[N+](=O)[O-] ZINC000531439111 435094304 /nfs/dbraw/zinc/09/43/04/435094304.db2.gz JRZPCYYTHRIKOE-HNNXBMFYSA-N 1 1 313.357 3.336 20 5 DGBDMO C[C@H](C1CC1)[N@@H+](CCn1ccc([N+](=O)[O-])n1)Cc1ccccc1 ZINC000176207451 298258880 /nfs/dbraw/zinc/25/88/80/298258880.db2.gz NBFMNFJUWDNVME-CQSZACIVSA-N 1 1 314.389 3.092 20 5 DGBDMO O=[N+]([O-])c1cccc(C[N@H+](C[C@H]2CCCC[C@@H]2O)C2CC2)c1 ZINC000514605708 435424623 /nfs/dbraw/zinc/42/46/23/435424623.db2.gz OPKQZNRSCASVPV-PBHICJAKSA-N 1 1 304.390 3.110 20 5 DGBDMO CC[C@H]1CC[N@@H+](Cc2cc([N+](=O)[O-])ccc2OC(F)F)C1 ZINC000537687203 435464072 /nfs/dbraw/zinc/46/40/72/435464072.db2.gz DYGCNSIORZFBST-JTQLQIEISA-N 1 1 300.305 3.428 20 5 DGBDMO CCC[N@@H+](CC)CCNc1ccc([N+](=O)[O-])c(OC(F)F)c1 ZINC000537834007 435470599 /nfs/dbraw/zinc/47/05/99/435470599.db2.gz KFRPXAYKQQSWGD-UHFFFAOYSA-N 1 1 317.336 3.340 20 5 DGBDMO CC[C@@H](C[N@@H+](CC)CCn1cc([N+](=O)[O-])cn1)c1ccccc1 ZINC000481682890 435438188 /nfs/dbraw/zinc/43/81/88/435438188.db2.gz BGTWQYPVWVVPKM-HNNXBMFYSA-N 1 1 316.405 3.307 20 5 DGBDMO C[C@@H]1C[C@@H]([NH2+][C@@H]2CCCCc3ccc([N+](=O)[O-])cc32)CC[N@@H+]1C ZINC000516024371 435511991 /nfs/dbraw/zinc/51/19/91/435511991.db2.gz SFQJFXJLDXFEMD-QIIPPGSGSA-N 1 1 317.433 3.435 20 5 DGBDMO C[C@@H]1C[C@@H](N[C@@H]2CCCCc3ccc([N+](=O)[O-])cc32)CC[N@@H+]1C ZINC000516024371 435512001 /nfs/dbraw/zinc/51/20/01/435512001.db2.gz SFQJFXJLDXFEMD-QIIPPGSGSA-N 1 1 317.433 3.435 20 5 DGBDMO C[C@@H]1C[C@@H](N[C@@H]2CCCCc3ccc([N+](=O)[O-])cc32)CC[N@H+]1C ZINC000516024371 435512005 /nfs/dbraw/zinc/51/20/05/435512005.db2.gz SFQJFXJLDXFEMD-QIIPPGSGSA-N 1 1 317.433 3.435 20 5 DGBDMO C[C@@H]1C[C@H]([NH2+][C@@H]2CCCCc3ccc([N+](=O)[O-])cc32)CC[N@@H+]1C ZINC000516024370 435512014 /nfs/dbraw/zinc/51/20/14/435512014.db2.gz SFQJFXJLDXFEMD-DDUZABMNSA-N 1 1 317.433 3.435 20 5 DGBDMO C[C@@H]1C[C@H](N[C@@H]2CCCCc3ccc([N+](=O)[O-])cc32)CC[N@@H+]1C ZINC000516024370 435512020 /nfs/dbraw/zinc/51/20/20/435512020.db2.gz SFQJFXJLDXFEMD-DDUZABMNSA-N 1 1 317.433 3.435 20 5 DGBDMO C[C@@H]1C[C@H](N[C@@H]2CCCCc3ccc([N+](=O)[O-])cc32)CC[N@H+]1C ZINC000516024370 435512023 /nfs/dbraw/zinc/51/20/23/435512023.db2.gz SFQJFXJLDXFEMD-DDUZABMNSA-N 1 1 317.433 3.435 20 5 DGBDMO CCC[C@@]1(CO)CC[N@@H+](C/C(C)=C\c2cccc([N+](=O)[O-])c2)C1 ZINC000569392524 435529307 /nfs/dbraw/zinc/52/93/07/435529307.db2.gz OKPUUFPZANKHMM-QWSHFYNQSA-N 1 1 318.417 3.483 20 5 DGBDMO C[C@@H](C[N@@H+]1CCC[C@@H](C)C1)N[C@@H]1CCc2c1cccc2[N+](=O)[O-] ZINC000569000396 435492088 /nfs/dbraw/zinc/49/20/88/435492088.db2.gz IEHFPIUDYKKNMA-JKIFEVAISA-N 1 1 317.433 3.292 20 5 DGBDMO C[C@@H](C[N@H+]1CCC[C@@H](C)C1)N[C@@H]1CCc2c1cccc2[N+](=O)[O-] ZINC000569000396 435492093 /nfs/dbraw/zinc/49/20/93/435492093.db2.gz IEHFPIUDYKKNMA-JKIFEVAISA-N 1 1 317.433 3.292 20 5 DGBDMO CC[NH+]1CC[C@H]([N@H+](C)C/C=C/c2ccccc2[N+](=O)[O-])C[C@@H]1C ZINC000539818648 435569519 /nfs/dbraw/zinc/56/95/19/435569519.db2.gz CAVPKYIISJLVPQ-OJJSLQOQSA-N 1 1 317.433 3.413 20 5 DGBDMO CC[NH+]1CC[C@H]([N@@H+](C)C/C=C/c2ccccc2[N+](=O)[O-])C[C@@H]1C ZINC000539818648 435569524 /nfs/dbraw/zinc/56/95/24/435569524.db2.gz CAVPKYIISJLVPQ-OJJSLQOQSA-N 1 1 317.433 3.413 20 5 DGBDMO CC[NH+]1CC[C@H]([N@H+](C)C/C=C\c2ccccc2[N+](=O)[O-])C[C@H]1C ZINC000539818649 435570005 /nfs/dbraw/zinc/57/00/05/435570005.db2.gz CAVPKYIISJLVPQ-OWWQLCIYSA-N 1 1 317.433 3.413 20 5 DGBDMO CC[NH+]1CC[C@H]([N@@H+](C)C/C=C\c2ccccc2[N+](=O)[O-])C[C@H]1C ZINC000539818649 435570009 /nfs/dbraw/zinc/57/00/09/435570009.db2.gz CAVPKYIISJLVPQ-OWWQLCIYSA-N 1 1 317.433 3.413 20 5 DGBDMO Cc1cc(N[C@H]2CC[N@@H+](C)[C@@H](C)C2)c2cccc([N+](=O)[O-])c2n1 ZINC000540646499 435611402 /nfs/dbraw/zinc/61/14/02/435611402.db2.gz OMKCUWSDZXJYPT-STQMWFEESA-N 1 1 314.389 3.346 20 5 DGBDMO O=[N+]([O-])c1ccc(CC[N@H+]2CCC[C@@H]2[C@H]2CCCOC2)cc1 ZINC000570276841 435604667 /nfs/dbraw/zinc/60/46/67/435604667.db2.gz USTAUSXPWMTUEP-DOTOQJQBSA-N 1 1 304.390 3.028 20 5 DGBDMO Cc1cccc([N+](=O)[O-])c1N1CC[NH+](Cc2ccsc2)CC1 ZINC000548285187 435681214 /nfs/dbraw/zinc/68/12/14/435681214.db2.gz ZSQSGEFPYQOERJ-UHFFFAOYSA-N 1 1 317.414 3.287 20 5 DGBDMO CCOc1cccc(N[C@@H]2C[C@@H](C)[N@H+](C3CC3)C2)c1[N+](=O)[O-] ZINC000571218330 435689191 /nfs/dbraw/zinc/68/91/91/435689191.db2.gz NFXDHOHPHLUWMK-VXGBXAGGSA-N 1 1 305.378 3.031 20 5 DGBDMO C[C@H]1CN(c2cccc(F)c2[N+](=O)[O-])CC[N@H+](C2CCC2)C1 ZINC000292359431 300299113 /nfs/dbraw/zinc/29/91/13/300299113.db2.gz RHAOHWREQZBERZ-GFCCVEGCSA-N 1 1 307.369 3.045 20 5 DGBDMO CC(C)[C@H]1C[N@H+](Cc2c(Cl)cccc2[N+](=O)[O-])CCCO1 ZINC000550189814 435796415 /nfs/dbraw/zinc/79/64/15/435796415.db2.gz XQUWIIKNYQYBDJ-OAHLLOKOSA-N 1 1 312.797 3.495 20 5 DGBDMO CC(C)[C@H]1C[N@@H+](Cc2c(Cl)cccc2[N+](=O)[O-])CCCO1 ZINC000550189814 435796422 /nfs/dbraw/zinc/79/64/22/435796422.db2.gz XQUWIIKNYQYBDJ-OAHLLOKOSA-N 1 1 312.797 3.495 20 5 DGBDMO C[C@@H](C[NH+]1CCC(C)CC1)N[C@@H]1CCc2c1cccc2[N+](=O)[O-] ZINC000572900434 435880249 /nfs/dbraw/zinc/88/02/49/435880249.db2.gz DYNKCQLLENXMRC-WMLDXEAASA-N 1 1 317.433 3.292 20 5 DGBDMO Cc1cc([N+](=O)[O-])ccc1NC(=O)C[N@H+]1CC[C@H](C(C)(C)C)C1 ZINC000542320531 314070605 /nfs/dbraw/zinc/07/06/05/314070605.db2.gz SVQJEBBQNCGAFN-ZDUSSCGKSA-N 1 1 319.405 3.210 20 5 DGBDMO Cc1ccc(C[N@@H+](C)CCc2ccccc2O)cc1[N+](=O)[O-] ZINC000543411970 314132260 /nfs/dbraw/zinc/13/22/60/314132260.db2.gz DQYUDQRPDYIHSO-UHFFFAOYSA-N 1 1 300.358 3.283 20 5 DGBDMO Cc1ccc([N+](=O)[O-])cc1NC(=O)C[N@H+]1CC[C@H](C)C(C)(C)C1 ZINC000544786358 314211425 /nfs/dbraw/zinc/21/14/25/314211425.db2.gz ZLFOXJVVFGAFRO-ZDUSSCGKSA-N 1 1 319.405 3.210 20 5 DGBDMO Cc1ccc([N+](=O)[O-])cc1NC(=O)C[N@@H+]1CC[C@H](C)C(C)(C)C1 ZINC000544786358 314211427 /nfs/dbraw/zinc/21/14/27/314211427.db2.gz ZLFOXJVVFGAFRO-ZDUSSCGKSA-N 1 1 319.405 3.210 20 5 DGBDMO Cc1ccc([N+](=O)[O-])cc1[C@@H](C)[NH2+][C@H](CCO)c1ccco1 ZINC000545984957 314282127 /nfs/dbraw/zinc/28/21/27/314282127.db2.gz ZEJAGEQFUCDYOK-IUODEOHRSA-N 1 1 304.346 3.271 20 5 DGBDMO CCCC[N@@H+](C)C[C@@H](C)NC(=O)Nc1ccc([N+](=O)[O-])c(C)c1 ZINC000564374594 315172604 /nfs/dbraw/zinc/17/26/04/315172604.db2.gz XZWDEVIFJMMDGC-CYBMUJFWSA-N 1 1 322.409 3.145 20 5 DGBDMO CCC[N@@H+](CC)C[C@H](C)Nc1cc(OC)c([N+](=O)[O-])cc1F ZINC000564573502 315183597 /nfs/dbraw/zinc/18/35/97/315183597.db2.gz BMRDDQHIPKCMPF-NSHDSACASA-N 1 1 313.373 3.275 20 5 DGBDMO CCC[N@@H+](CCC(=O)Nc1cc([N+](=O)[O-])ccc1C)C(C)C ZINC000565551349 315270479 /nfs/dbraw/zinc/27/04/79/315270479.db2.gz YPTDCVGPHDSNEG-UHFFFAOYSA-N 1 1 307.394 3.352 20 5 DGBDMO Cc1[nH+]ccn1CCCn1cc(-c2ccccc2[N+](=O)[O-])cn1 ZINC000566476592 315351047 /nfs/dbraw/zinc/35/10/47/315351047.db2.gz BMQSBINBJDGCON-UHFFFAOYSA-N 1 1 311.345 3.054 20 5 DGBDMO CC(C)Oc1ccc([N+](=O)[O-])cc1C[N@H+]1CC[C@@H](OC(C)C)C1 ZINC000566677069 315366964 /nfs/dbraw/zinc/36/69/64/315366964.db2.gz YEZXCWWSFGLVKL-MRXNPFEDSA-N 1 1 322.405 3.381 20 5 DGBDMO CC(C)Oc1ccc([N+](=O)[O-])cc1C[N@@H+]1CC[C@@H](OC(C)C)C1 ZINC000566677069 315366966 /nfs/dbraw/zinc/36/69/66/315366966.db2.gz YEZXCWWSFGLVKL-MRXNPFEDSA-N 1 1 322.405 3.381 20 5 DGBDMO Cc1cc(NC(=O)[C@@H](C)c2cccc([N+](=O)[O-])c2)cn2cc[nH+]c12 ZINC000569828169 315606679 /nfs/dbraw/zinc/60/66/79/315606679.db2.gz UCEHHSXDKMIFGU-LBPRGKRZSA-N 1 1 324.340 3.293 20 5 DGBDMO COc1cc(C[N@@H+](C)C(C)(C)C)c([N+](=O)[O-])cc1OC(F)F ZINC000576343546 316119992 /nfs/dbraw/zinc/11/99/92/316119992.db2.gz UYDDSUSXBMLNPR-UHFFFAOYSA-N 1 1 318.320 3.435 20 5 DGBDMO CCC[N@H+]1CC[C@H](CNc2cccc(OCC)c2[N+](=O)[O-])C1 ZINC000184077578 323354533 /nfs/dbraw/zinc/35/45/33/323354533.db2.gz QSBMRYBNXGLIRP-CYBMUJFWSA-N 1 1 307.394 3.137 20 5 DGBDMO COc1cccnc1C[NH2+][C@@H](C)c1cc([N+](=O)[O-])ccc1C ZINC000582044756 324182526 /nfs/dbraw/zinc/18/25/26/324182526.db2.gz KNUDZESDRATCBZ-LBPRGKRZSA-N 1 1 301.346 3.158 20 5 DGBDMO C[C@]1(CO)CCC[N@H+]1Cc1ccc(-c2ccc([N+](=O)[O-])cc2)o1 ZINC000583178479 324321861 /nfs/dbraw/zinc/32/18/61/324321861.db2.gz YCIPVHSGVOPALX-QGZVFWFLSA-N 1 1 316.357 3.202 20 5 DGBDMO CCCC[C@@H](C)[N@@H+](C)CCOc1ccc(OC)cc1[N+](=O)[O-] ZINC000584558904 337361118 /nfs/dbraw/zinc/36/11/18/337361118.db2.gz QXXOJHVAXKRHIZ-CYBMUJFWSA-N 1 1 310.394 3.493 20 5 DGBDMO CCCC[C@H](C)[N@@H+](C)CCOc1ccc(OC)cc1[N+](=O)[O-] ZINC000584558905 337361149 /nfs/dbraw/zinc/36/11/49/337361149.db2.gz QXXOJHVAXKRHIZ-ZDUSSCGKSA-N 1 1 310.394 3.493 20 5 DGBDMO C[C@H]1C[N@@H+](CCC(=O)Nc2ccc([N+](=O)[O-])cc2)C(C)(C)C1 ZINC000331360169 533921977 /nfs/dbraw/zinc/92/19/77/533921977.db2.gz XMIWMNIEGWASRW-GFCCVEGCSA-N 1 1 305.378 3.044 20 5 DGBDMO Cc1ccc(C[N@H+]2CCOC[C@H](C3CCC3)C2)cc1[N+](=O)[O-] ZINC000292877713 533937831 /nfs/dbraw/zinc/93/78/31/533937831.db2.gz XFVJDEPZTOATOF-MRXNPFEDSA-N 1 1 304.390 3.152 20 5 DGBDMO C[C@@H]1CC[N@@H+](CCC(=O)Nc2ccc([N+](=O)[O-])cc2)C[C@@H](C)C1 ZINC000443657112 534032138 /nfs/dbraw/zinc/03/21/38/534032138.db2.gz QOTMQMTUUUNJGM-KGLIPLIRSA-N 1 1 319.405 3.291 20 5 DGBDMO C[C@@H]1CC[C@H]([N@@H+](C)Cc2nnc(-c3ccc([N+](=O)[O-])cc3)o2)C1 ZINC000429573766 534247001 /nfs/dbraw/zinc/24/70/01/534247001.db2.gz BWDHZGKQMUOCLQ-RISCZKNCSA-N 1 1 316.361 3.265 20 5 DGBDMO Cc1ccc([N+](=O)[O-])cc1NC(=O)[C@@H](C)[N@@H+]1[C@H](C)CC[C@@H]1C ZINC000298121435 534343115 /nfs/dbraw/zinc/34/31/15/534343115.db2.gz BSSYLAVWLYUNAB-FRRDWIJNSA-N 1 1 305.378 3.103 20 5 DGBDMO O=C(CC[N@@H+]1C[C@@H]2CCCC[C@@H]2C1)Nc1ccccc1[N+](=O)[O-] ZINC000177573814 534417020 /nfs/dbraw/zinc/41/70/20/534417020.db2.gz HUNAFENRMXOYMH-OKILXGFUSA-N 1 1 317.389 3.045 20 5 DGBDMO C[C@@H]1C[N@@H+](Cc2cc(=O)oc3ccc4ccccc4c23)C[C@H]1CO ZINC000190871543 524983390 /nfs/dbraw/zinc/98/33/90/524983390.db2.gz ORRMIVSTXDXEMQ-CJNGLKHVSA-N 1 1 323.392 3.006 20 5 DGBDMO O=[N+]([O-])c1ccc2c(c1)C[N@H+](CCN1CCc3ccccc31)CC2 ZINC000428244220 534883938 /nfs/dbraw/zinc/88/39/38/534883938.db2.gz CVDFDJRCXDBMGF-UHFFFAOYSA-N 1 1 323.396 3.016 20 5 DGBDMO CC(=O)c1cc(NCCCC[N@H+](C)C2CC2)ccc1[N+](=O)[O-] ZINC000413343215 527216014 /nfs/dbraw/zinc/21/60/14/527216014.db2.gz AIUKFPHYVGQFDN-UHFFFAOYSA-N 1 1 305.378 3.084 20 5 DGBDMO CCO[C@@H]1C[C@@H]([N@@H+](C)Cc2ccc([N+](=O)[O-])cc2OC)C1(C)C ZINC000430228610 527800618 /nfs/dbraw/zinc/80/06/18/527800618.db2.gz SNAYPAQKXWJHRP-HZPDHXFCSA-N 1 1 322.405 3.239 20 5 DGBDMO CCO[C@H]1C[C@@H]([N@@H+](C)Cc2ccc([N+](=O)[O-])cc2OC)C1(C)C ZINC000430228608 528073219 /nfs/dbraw/zinc/07/32/19/528073219.db2.gz SNAYPAQKXWJHRP-CVEARBPZSA-N 1 1 322.405 3.239 20 5 DGBDMO CC1=CC[N@@H+](CCNc2ccc3ncccc3c2[N+](=O)[O-])CC1 ZINC000302182616 528118539 /nfs/dbraw/zinc/11/85/39/528118539.db2.gz ZIOLPXNTZBSGGL-UHFFFAOYSA-N 1 1 312.373 3.207 20 5 DGBDMO CCCC[N@@H+](CCOc1ccc(OC)cc1[N+](=O)[O-])C1CC1 ZINC000441203511 528440001 /nfs/dbraw/zinc/44/00/01/528440001.db2.gz OSKGHCKUORQVCW-UHFFFAOYSA-N 1 1 308.378 3.247 20 5 DGBDMO CC[N@@H+](CCOc1ccc(OC)cc1[N+](=O)[O-])[C@@H](C)C(C)C ZINC000441285278 528574291 /nfs/dbraw/zinc/57/42/91/528574291.db2.gz LPWKKSILHSHNGQ-ZDUSSCGKSA-N 1 1 310.394 3.349 20 5 DGBDMO CC(C)[C@@H](c1ccc(F)cc1)[N@@H+](C)CCn1ccc([N+](=O)[O-])n1 ZINC000434616519 528641930 /nfs/dbraw/zinc/64/19/30/528641930.db2.gz QHROMTGALVNWEM-INIZCTEOSA-N 1 1 320.368 3.260 20 5 DGBDMO CC(C)[N@H+]1CCC[C@@H](CNc2c(F)cc([N+](=O)[O-])cc2F)C1 ZINC000301760552 529015776 /nfs/dbraw/zinc/01/57/76/529015776.db2.gz BBNKMJALPQLZEW-NSHDSACASA-N 1 1 313.348 3.405 20 5 DGBDMO CCO[C@H]1CC[N@H+](Cc2ccc(Cl)cc2[N+](=O)[O-])C[C@@H]1C ZINC000451552264 535631848 /nfs/dbraw/zinc/63/18/48/535631848.db2.gz YMQIGXCZLHYKEW-NHYWBVRUSA-N 1 1 312.797 3.495 20 5 DGBDMO CCO[C@H]1CC[N@@H+](Cc2ccc(Cl)cc2[N+](=O)[O-])C[C@@H]1C ZINC000451552264 535631853 /nfs/dbraw/zinc/63/18/53/535631853.db2.gz YMQIGXCZLHYKEW-NHYWBVRUSA-N 1 1 312.797 3.495 20 5 DGBDMO CC[N@H+](C/C(C)=C\c1cccc([N+](=O)[O-])c1)C[C@@H]1CCCO1 ZINC000470174694 535765107 /nfs/dbraw/zinc/76/51/07/535765107.db2.gz MRXWRHQUXQVIFQ-QXSWTLKVSA-N 1 1 304.390 3.499 20 5 DGBDMO C[N@@H+](CC1CC1)C[C@@H]1CCN(c2ccc(Cl)cc2[N+](=O)[O-])C1 ZINC000471552969 536181649 /nfs/dbraw/zinc/18/16/49/536181649.db2.gz WTLKYBASBVKDHB-ZDUSSCGKSA-N 1 1 323.824 3.416 20 5 DGBDMO COC(=O)CC[N@@H+](Cc1cc([N+](=O)[O-])ccc1Cl)C(C)C ZINC000735493821 574704067 /nfs/dbraw/zinc/70/40/67/574704067.db2.gz RFWBEBXCUVYNGF-UHFFFAOYSA-N 1 1 314.769 3.022 20 5 DGBDMO CC[N@H+]1CC[C@H](N(C)c2ccc(C(C)=O)cc2[N+](=O)[O-])C[C@H]1C ZINC000740870591 574944191 /nfs/dbraw/zinc/94/41/91/574944191.db2.gz FZOHFTGYDILELK-DOMZBBRYSA-N 1 1 319.405 3.106 20 5 DGBDMO CCO[C@H]1C[C@@H]([N@@H+](C)Cc2cc(F)ccc2[N+](=O)[O-])C1(C)C ZINC000740887030 574944904 /nfs/dbraw/zinc/94/49/04/574944904.db2.gz OMUQQLZYYFJLIF-CABCVRRESA-N 1 1 310.369 3.369 20 5 DGBDMO Cc1cccc2c1CC[N@@H+](CCOc1cccc([N+](=O)[O-])c1)C2 ZINC000729479091 575251878 /nfs/dbraw/zinc/25/18/78/575251878.db2.gz FQFUQKZWQWXAQJ-UHFFFAOYSA-N 1 1 312.369 3.340 20 5 DGBDMO COc1ccc(C[N@@H+]2CCc3c(C)cccc3C2)cc1[N+](=O)[O-] ZINC000729476690 575252047 /nfs/dbraw/zinc/25/20/47/575252047.db2.gz BZHISFCNPQHHLY-UHFFFAOYSA-N 1 1 312.369 3.470 20 5 DGBDMO COc1ccc(C[N@H+]2CCc3c(C)cccc3C2)cc1[N+](=O)[O-] ZINC000729476690 575252048 /nfs/dbraw/zinc/25/20/48/575252048.db2.gz BZHISFCNPQHHLY-UHFFFAOYSA-N 1 1 312.369 3.470 20 5 DGBDMO CC(C)C[C@@H]1CC[N@@H+](Cn2ncc3cc([N+](=O)[O-])ccc32)C1 ZINC000744437098 575342252 /nfs/dbraw/zinc/34/22/52/575342252.db2.gz GQDNCFHORKHXKN-ZDUSSCGKSA-N 1 1 302.378 3.270 20 5 DGBDMO O=[N+]([O-])c1ccc(Cl)cc1C[N@H+]1CCC[C@@H]([C@H]2CCOC2)C1 ZINC000749559006 575665111 /nfs/dbraw/zinc/66/51/11/575665111.db2.gz KPGHKJPTFATLHE-OLZOCXBDSA-N 1 1 324.808 3.497 20 5 DGBDMO CN(Cc1cc([N+](=O)[O-])ccc1Cl)c1[nH+]cnc2[nH]ccc21 ZINC000726965683 576087526 /nfs/dbraw/zinc/08/75/26/576087526.db2.gz LBQDGLBJRHQUIJ-UHFFFAOYSA-N 1 1 317.736 3.156 20 5 DGBDMO C[N@@H+](CCC(=O)Nc1cc([N+](=O)[O-])ccc1F)C[C@H]1CC1(C)C ZINC000852771284 620646944 /nfs/dbraw/zinc/64/69/44/620646944.db2.gz DCSBQKPGIWLWNM-LLVKDONJSA-N 1 1 323.368 3.040 20 5 DGBDMO O=[N+]([O-])c1ccc([C@@H](O)C[N@H+]2CCC[C@@H]3CCCC[C@@H]32)cc1 ZINC000852787882 620648807 /nfs/dbraw/zinc/64/88/07/620648807.db2.gz QIQYWJRRBIPMJB-JQFCIGGWSA-N 1 1 304.390 3.283 20 5 DGBDMO Nc1ccc(NC[C@H]2CCC[N@H+]2C2CCCCC2)c([N+](=O)[O-])c1 ZINC000804683709 617650875 /nfs/dbraw/zinc/65/08/75/617650875.db2.gz VXSOMMCJLOCARV-OAHLLOKOSA-N 1 1 318.421 3.386 20 5 DGBDMO C[N@@H+](CCc1ccccc1[N+](=O)[O-])Cc1ccnn1C1CCC1 ZINC000894390800 618304090 /nfs/dbraw/zinc/30/40/90/618304090.db2.gz JVMBCNFFMFPZCF-UHFFFAOYSA-N 1 1 314.389 3.191 20 5 DGBDMO CCC[N@@H+](C)CC(C)(C)NC(=O)c1c(C)c(C)ccc1[N+](=O)[O-] ZINC000893044181 618402451 /nfs/dbraw/zinc/40/24/51/618402451.db2.gz GUQZTSFHPKEFLW-UHFFFAOYSA-N 1 1 321.421 3.062 20 5 DGBDMO COc1c(O)ccc(C[N@H+]2CC[C@@H]3CCCC[C@@H]32)c1[N+](=O)[O-] ZINC000895088751 618534458 /nfs/dbraw/zinc/53/44/58/618534458.db2.gz SBIZVQQOOZYQBT-AAEUAGOBSA-N 1 1 306.362 3.074 20 5 DGBDMO O=[N+]([O-])c1ccccc1/C=C/C[N@@H+]1CCn2nc(C3CC3)cc2C1 ZINC000896939680 618989963 /nfs/dbraw/zinc/98/99/63/618989963.db2.gz MQEBNUXKDCRBEO-HWKANZROSA-N 1 1 324.384 3.198 20 5 DGBDMO O=[N+]([O-])c1ccccc1/C=C/C[N@H+]1CCn2nc(C3CC3)cc2C1 ZINC000896939680 618989964 /nfs/dbraw/zinc/98/99/64/618989964.db2.gz MQEBNUXKDCRBEO-HWKANZROSA-N 1 1 324.384 3.198 20 5 DGBDMO C[C@@H](C[NH2+][C@@H]1CCN(C)C(C)(C)C1)c1ccccc1[N+](=O)[O-] ZINC000897461114 619130167 /nfs/dbraw/zinc/13/01/67/619130167.db2.gz LKLAAONDUYWXBY-UONOGXRCSA-N 1 1 305.422 3.161 20 5 DGBDMO O=[N+]([O-])c1ccc2oc(C[NH2+][C@H](c3ccncc3)C3CC3)nc2c1 ZINC000898322237 619233253 /nfs/dbraw/zinc/23/32/53/619233253.db2.gz ZYLWMCIQENRJAQ-KRWDZBQOSA-N 1 1 324.340 3.372 20 5 DGBDMO C[C@H]([NH2+]CC1(N)CC1)c1ccc(-c2ccccc2[N+](=O)[O-])s1 ZINC000902414840 619638042 /nfs/dbraw/zinc/63/80/42/619638042.db2.gz DJXTYRJEAVHOKE-NSHDSACASA-N 1 1 317.414 3.465 20 5 DGBDMO CCCc1ncc(C[NH2+][C@@H](C)c2cc(OC)cc([N+](=O)[O-])c2)o1 ZINC000903188088 619736846 /nfs/dbraw/zinc/73/68/46/619736846.db2.gz XVVCEPWTFLZLMH-NSHDSACASA-N 1 1 319.361 3.395 20 5 DGBDMO COc1cc([N+](=O)[O-])ccc1[C@@H](C)[NH2+][C@@H](C)c1cncs1 ZINC000903312134 619758030 /nfs/dbraw/zinc/75/80/30/619758030.db2.gz SOFMMOGVWNNMRH-ZJUUUORDSA-N 1 1 307.375 3.472 20 5 DGBDMO [NH3+]CC1([C@H]2CCCCN2Cc2cccc([N+](=O)[O-])c2)CCC1 ZINC000903814181 619814388 /nfs/dbraw/zinc/81/43/88/619814388.db2.gz LAEOLIMKJJAIEL-MRXNPFEDSA-N 1 1 303.406 3.078 20 5 DGBDMO CC(C)([NH3+])CCNCc1ccc(-c2ccccc2[N+](=O)[O-])o1 ZINC000903938548 619838061 /nfs/dbraw/zinc/83/80/61/619838061.db2.gz FZZNMAGFASAKRD-UHFFFAOYSA-N 1 1 303.362 3.072 20 5 DGBDMO CC(C)N(Cc1ccc([N+](=O)[O-])cc1)C[C@]1(C)CCC[NH2+]C1 ZINC000904313177 619912207 /nfs/dbraw/zinc/91/22/07/619912207.db2.gz SDTOFBYHQLVKJK-QGZVFWFLSA-N 1 1 305.422 3.195 20 5 DGBDMO CC(C)[N@@H+]1CCC[C@@H]1C(=O)O[C@H](C)c1ccccc1[N+](=O)[O-] ZINC000906118293 620059604 /nfs/dbraw/zinc/05/96/04/620059604.db2.gz FOFSQZPQDVVLIW-IUODEOHRSA-N 1 1 306.362 3.072 20 5 DGBDMO CC(C)[N@H+]1CCC[C@@H]1C(=O)O[C@H](C)c1ccccc1[N+](=O)[O-] ZINC000906118293 620059607 /nfs/dbraw/zinc/05/96/07/620059607.db2.gz FOFSQZPQDVVLIW-IUODEOHRSA-N 1 1 306.362 3.072 20 5 DGBDMO Cc1nn(CC[C@@H]2CCCC[N@@H+]2C)c2ccc([N+](=O)[O-])cc12 ZINC000906502084 620103119 /nfs/dbraw/zinc/10/31/19/620103119.db2.gz FCXSREXBCAKJTM-ZDUSSCGKSA-N 1 1 302.378 3.127 20 5 DGBDMO O=[N+]([O-])c1ccccc1/C=C\C[NH2+][C@H](c1ncccn1)C1CC1 ZINC000922581234 621060708 /nfs/dbraw/zinc/06/07/08/621060708.db2.gz SIAYYLUCEHIOAO-UYZDIKGJSA-N 1 1 310.357 3.139 20 5 DGBDMO O=[N+]([O-])c1ccc(C[NH2+][C@H](c2ccccn2)C2CC2)c(F)c1 ZINC000922586170 621061754 /nfs/dbraw/zinc/06/17/54/621061754.db2.gz WVWAOYPIINJGSN-INIZCTEOSA-N 1 1 301.321 3.370 20 5 DGBDMO O=[N+]([O-])c1cc(Cl)ccc1CC[NH2+][C@H]1CCCc2c[nH]nc21 ZINC000857865763 621125569 /nfs/dbraw/zinc/12/55/69/621125569.db2.gz PMSZSLFXVKQMED-ZDUSSCGKSA-N 1 1 320.780 3.181 20 5 DGBDMO CCOC(=O)CC(C)(C)C[N@@H+](C)CCc1ccccc1[N+](=O)[O-] ZINC000839089759 621327396 /nfs/dbraw/zinc/32/73/96/621327396.db2.gz RZBOGAYPJOSFME-UHFFFAOYSA-N 1 1 322.405 3.049 20 5 DGBDMO C[C@@H]1C[C@H](Nc2nc3ccc([N+](=O)[O-])cc3s2)C[N@H+]1C1CC1 ZINC000754024416 621480467 /nfs/dbraw/zinc/48/04/67/621480467.db2.gz KPAARNOSZPUOPY-ZJUUUORDSA-N 1 1 318.402 3.242 20 5 DGBDMO CC[C@@H]([NH2+]Cc1cc(F)ccc1[N+](=O)[O-])c1c(C)nn(C)c1C ZINC000754437111 621511058 /nfs/dbraw/zinc/51/10/58/621511058.db2.gz VXOSCFGGUAFLLB-CQSZACIVSA-N 1 1 320.368 3.325 20 5 DGBDMO Cc1c(F)nccc1C[N@@H+](C)CCc1cccc([N+](=O)[O-])c1 ZINC000862356050 621577311 /nfs/dbraw/zinc/57/73/11/621577311.db2.gz UEAOZAJRTGKXHP-UHFFFAOYSA-N 1 1 303.337 3.112 20 5 DGBDMO C[C@@H]1C[N@@H+](Cn2ncc3cc([N+](=O)[O-])ccc32)C[C@H](C)C1(F)F ZINC000863275185 621658919 /nfs/dbraw/zinc/65/89/19/621658919.db2.gz QNWGYTVDSMLYFX-PHIMTYICSA-N 1 1 324.331 3.125 20 5 DGBDMO C[C@@H]1C[N@H+](Cn2ncc3cc([N+](=O)[O-])ccc32)C[C@H](C)C1(F)F ZINC000863275185 621658920 /nfs/dbraw/zinc/65/89/20/621658920.db2.gz QNWGYTVDSMLYFX-PHIMTYICSA-N 1 1 324.331 3.125 20 5 DGBDMO C[C@@H](O[NH+]=C(N)CCC(F)(F)F)c1cccc([N+](=O)[O-])c1 ZINC000863488727 621677578 /nfs/dbraw/zinc/67/75/78/621677578.db2.gz CNTAZZFRNLJSGQ-MRVPVSSYSA-N 1 1 305.256 3.497 20 5 DGBDMO Cc1cc(-c2noc([C@@H]([NH3+])CCC(C)C)n2)cc([N+](=O)[O-])c1 ZINC000863678606 621699323 /nfs/dbraw/zinc/69/93/23/621699323.db2.gz ZDUZCMGESAEFHF-ZDUSSCGKSA-N 1 1 304.350 3.389 20 5 DGBDMO O=[N+]([O-])c1ccc(C[N@@H+]2C[C@H](O)C[C@@H]2c2ccccc2)cc1F ZINC000839635167 621702921 /nfs/dbraw/zinc/70/29/21/621702921.db2.gz GQHQMJKOAFWLID-RHSMWYFYSA-N 1 1 316.332 3.042 20 5 DGBDMO O=[N+]([O-])c1ccc(C[N@H+]2C[C@H](O)C[C@@H]2c2ccccc2)cc1F ZINC000839635167 621702922 /nfs/dbraw/zinc/70/29/22/621702922.db2.gz GQHQMJKOAFWLID-RHSMWYFYSA-N 1 1 316.332 3.042 20 5 DGBDMO O=[N+]([O-])c1ccc2cnn(C[N@H+]3CC[C@@H](c4ccccc4)C3)c2c1 ZINC000120264536 621822668 /nfs/dbraw/zinc/82/26/68/621822668.db2.gz YXOWBHUTCYJMHB-MRXNPFEDSA-N 1 1 322.368 3.392 20 5 DGBDMO C[N@H+]1CCCC[C@@H]1CCOC(=O)/C=C\c1ccc([N+](=O)[O-])cc1 ZINC000760127118 621916737 /nfs/dbraw/zinc/91/67/37/621916737.db2.gz NDAXKIIQOZCHFP-YYRKOSNBSA-N 1 1 318.373 3.026 20 5 DGBDMO Cn1cc[nH+]c1[C@@H]1CCN(c2ccc([N+](=O)[O-])cc2C(F)F)C1 ZINC000865642223 621969714 /nfs/dbraw/zinc/96/97/14/621969714.db2.gz SQBBNOPVHQYGCW-SNVBAGLBSA-N 1 1 322.315 3.260 20 5 DGBDMO Cc1nn(C[NH+]2CCC(C(F)F)CC2)c2cc([N+](=O)[O-])ccc12 ZINC000761294641 621999487 /nfs/dbraw/zinc/99/94/87/621999487.db2.gz YQLWJMJJETZNTR-UHFFFAOYSA-N 1 1 324.331 3.188 20 5 DGBDMO C[N@H+]1CCN(c2ccc([N+](=O)[O-])c3cnccc32)CCC1(C)C ZINC000866114273 622048009 /nfs/dbraw/zinc/04/80/09/622048009.db2.gz KHYLCIVBUHRVCR-UHFFFAOYSA-N 1 1 314.389 3.064 20 5 DGBDMO CC(C)[C@H]1c2ccccc2CC[N@H+]1Cn1nccc1[N+](=O)[O-] ZINC000763241662 622132546 /nfs/dbraw/zinc/13/25/46/622132546.db2.gz POKFAUMWIVIOKF-INIZCTEOSA-N 1 1 300.362 3.004 20 5 DGBDMO CC(C)[C@H]1c2ccccc2CC[N@@H+]1Cn1nccc1[N+](=O)[O-] ZINC000763241662 622132547 /nfs/dbraw/zinc/13/25/47/622132547.db2.gz POKFAUMWIVIOKF-INIZCTEOSA-N 1 1 300.362 3.004 20 5 DGBDMO Cc1nn(C[N@H+](C)C(C2CC2)C2CC2)c2cc([N+](=O)[O-])ccc12 ZINC000121148375 622146323 /nfs/dbraw/zinc/14/63/23/622146323.db2.gz WPHOEMGGPXRBJB-UHFFFAOYSA-N 1 1 314.389 3.331 20 5 DGBDMO C[C@@H]1C[C@@H](N(C)c2ccc3ncccc3c2[N+](=O)[O-])CC[N@H+]1C ZINC000764157277 622182200 /nfs/dbraw/zinc/18/22/00/622182200.db2.gz LZXANJUBMLWYKH-OLZOCXBDSA-N 1 1 314.389 3.062 20 5 DGBDMO CC[C@@H]1C[N@H+](Cn2nc(C)c3cc([N+](=O)[O-])ccc32)CCS1 ZINC000765038718 622241804 /nfs/dbraw/zinc/24/18/04/622241804.db2.gz ORNWTEBFZNOTSS-CYBMUJFWSA-N 1 1 320.418 3.038 20 5 DGBDMO CC[C@@H]1C[N@@H+](Cn2nc(C)c3cc([N+](=O)[O-])ccc32)CCS1 ZINC000765038718 622241807 /nfs/dbraw/zinc/24/18/07/622241807.db2.gz ORNWTEBFZNOTSS-CYBMUJFWSA-N 1 1 320.418 3.038 20 5 DGBDMO CCC1(CC)C[N@@H+](C[C@@H](O)c2cccc([N+](=O)[O-])c2)CCS1 ZINC000766991069 622366706 /nfs/dbraw/zinc/36/67/06/622366706.db2.gz UCOMHURQKDTMBC-OAHLLOKOSA-N 1 1 324.446 3.236 20 5 DGBDMO CCOc1ccc([C@H](C)NCC[N@@H+]2CCC[C@H]2C)cc1[N+](=O)[O-] ZINC000768105047 622438829 /nfs/dbraw/zinc/43/88/29/622438829.db2.gz YYOXUCNUDLWTFN-KGLIPLIRSA-N 1 1 321.421 3.128 20 5 DGBDMO CCOc1ccc([C@H](C)NCC[N@H+]2CCC[C@H]2C)cc1[N+](=O)[O-] ZINC000768105047 622438831 /nfs/dbraw/zinc/43/88/31/622438831.db2.gz YYOXUCNUDLWTFN-KGLIPLIRSA-N 1 1 321.421 3.128 20 5 DGBDMO O=[N+]([O-])c1cc(C[NH2+][C@H](CO)c2ccsc2)ccc1Cl ZINC000769935108 622578923 /nfs/dbraw/zinc/57/89/23/622578923.db2.gz QZIMENURQFPKMI-GFCCVEGCSA-N 1 1 312.778 3.133 20 5 DGBDMO O=[N+]([O-])c1ccc(Cl)cc1C[NH2+][C@@H](CO)c1ccsc1 ZINC000770690094 622661606 /nfs/dbraw/zinc/66/16/06/622661606.db2.gz WAKUGVNMGRKRBM-LBPRGKRZSA-N 1 1 312.778 3.133 20 5 DGBDMO CSc1ccc([N+](=O)[O-])cc1[C@H](C)[NH2+][C@H](C)c1cnn(C)c1 ZINC000872039111 622768450 /nfs/dbraw/zinc/76/84/50/622768450.db2.gz QNBVKDZZVVPICH-MNOVXSKESA-N 1 1 320.418 3.462 20 5 DGBDMO C[C@H](NC[C@H]1CC[N@H+]1C(C)(C)C)c1c(F)cccc1[N+](=O)[O-] ZINC000872086235 622797631 /nfs/dbraw/zinc/79/76/31/622797631.db2.gz VPOXABAVMYBKTH-NWDGAFQWSA-N 1 1 309.385 3.257 20 5 DGBDMO C[C@H]([NH2+]C[C@H]1CCN1C(C)(C)C)c1c(F)cccc1[N+](=O)[O-] ZINC000872086235 622797632 /nfs/dbraw/zinc/79/76/32/622797632.db2.gz VPOXABAVMYBKTH-NWDGAFQWSA-N 1 1 309.385 3.257 20 5 DGBDMO CCCOc1ncccc1C[NH2+]Cc1cccc([N+](=O)[O-])c1C ZINC000873023778 623019919 /nfs/dbraw/zinc/01/99/19/623019919.db2.gz WFCGPHGVHVDDQP-UHFFFAOYSA-N 1 1 315.373 3.377 20 5 DGBDMO C[C@H]([NH2+]Cc1cccc2c1OCCO2)c1ccccc1[N+](=O)[O-] ZINC000873183789 623064880 /nfs/dbraw/zinc/06/48/80/623064880.db2.gz IGLRMANFSPEQKX-LBPRGKRZSA-N 1 1 314.341 3.217 20 5 DGBDMO CC[C@@H]1[C@H](C)CC[N@H+]1Cn1nc(C)c2ccc([N+](=O)[O-])cc21 ZINC000774618007 623166423 /nfs/dbraw/zinc/16/64/23/623166423.db2.gz HHMQVRVOXNQNRJ-IAQYHMDHSA-N 1 1 302.378 3.331 20 5 DGBDMO C[N@@H+](Cn1ncc2cc([N+](=O)[O-])cc(Cl)c21)C1CCCC1 ZINC000774633758 623168103 /nfs/dbraw/zinc/16/81/03/623168103.db2.gz BMGNZPOVTLLVHM-UHFFFAOYSA-N 1 1 308.769 3.430 20 5 DGBDMO C[C@H]1CC[N@@H+](Cc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])CC1(C)C ZINC000775062632 623224743 /nfs/dbraw/zinc/22/47/43/623224743.db2.gz FJVGSSMZLNAADG-NSHDSACASA-N 1 1 307.350 3.371 20 5 DGBDMO CCCC[N@@H+](CCCO)Cc1ccc(Cl)c([N+](=O)[O-])c1 ZINC000775560460 623289894 /nfs/dbraw/zinc/28/98/94/623289894.db2.gz BVXNFLLCCYPPQD-UHFFFAOYSA-N 1 1 300.786 3.233 20 5 DGBDMO C[C@@H](c1ccccc1)[N@@H+](C)C[C@@H](O)c1ccc([N+](=O)[O-])cc1 ZINC000776271127 623404862 /nfs/dbraw/zinc/40/48/62/623404862.db2.gz HYLSPYYLBVMUOQ-SUMWQHHRSA-N 1 1 300.358 3.321 20 5 DGBDMO C[C@@H](c1ccccc1)[N@@H+](C)C[C@H](O)c1ccc([N+](=O)[O-])cc1 ZINC000776271126 623405159 /nfs/dbraw/zinc/40/51/59/623405159.db2.gz HYLSPYYLBVMUOQ-GUYCJALGSA-N 1 1 300.358 3.321 20 5 DGBDMO O=[N+]([O-])c1ccc([C@H](O)C[N@H+]2CCC[C@@H]2c2ccccc2)cc1 ZINC000776277245 623406065 /nfs/dbraw/zinc/40/60/65/623406065.db2.gz QDLDEFRSRLHFDZ-QZTJIDSGSA-N 1 1 312.369 3.465 20 5 DGBDMO CC[N@@H+](CCc1cccs1)C[C@H](O)c1ccc([N+](=O)[O-])cc1 ZINC000776578674 623442332 /nfs/dbraw/zinc/44/23/32/623442332.db2.gz HRUZTYGOIHKIJC-INIZCTEOSA-N 1 1 320.414 3.254 20 5 DGBDMO CC[N@H+](Cc1ccc(C)cc1)C[C@H](O)c1ccc([N+](=O)[O-])cc1 ZINC000776578699 623442340 /nfs/dbraw/zinc/44/23/40/623442340.db2.gz HTKPIHVIIRZYLD-SFHVURJKSA-N 1 1 314.385 3.459 20 5 DGBDMO Cc1ccc(C[N@@H+](C)C[C@H](O)c2ccc([N+](=O)[O-])cc2)s1 ZINC000776581601 623443018 /nfs/dbraw/zinc/44/30/18/623443018.db2.gz KXUHCNFMMYRHGD-HNNXBMFYSA-N 1 1 306.387 3.130 20 5 DGBDMO C[C@H]1c2ccccc2CC[N@@H+]1C[C@H](O)c1ccc([N+](=O)[O-])cc1 ZINC000776582676 623443292 /nfs/dbraw/zinc/44/32/92/623443292.db2.gz SVUMKWATDXOBGN-UGSOOPFHSA-N 1 1 312.369 3.248 20 5 DGBDMO C[C@H]1CC[N@@H+](C[C@H](O)c2ccc([N+](=O)[O-])cc2)CC12CCC2 ZINC000776596965 623444867 /nfs/dbraw/zinc/44/48/67/623444867.db2.gz BDIHDQGKLTVMNK-BBRMVZONSA-N 1 1 304.390 3.140 20 5 DGBDMO O=[N+]([O-])c1ccc([C@H](O)C[N@H+]2CC[C@H]2c2cccc(F)c2)cc1 ZINC000776590739 623445135 /nfs/dbraw/zinc/44/51/35/623445135.db2.gz FWENHYWPZFONFB-DLBZAZTESA-N 1 1 316.332 3.214 20 5 DGBDMO C[C@H]1C[N@@H+](Cn2cc(-c3cccc([N+](=O)[O-])c3)cn2)C[C@H]1C ZINC000777956169 623589933 /nfs/dbraw/zinc/58/99/33/623589933.db2.gz CRGOMGJJJQNNRL-BETUJISGSA-N 1 1 300.362 3.004 20 5 DGBDMO C[C@@H]1[C@@H](C)CC[N@H+]1Cn1cc(-c2cccc([N+](=O)[O-])c2)cn1 ZINC000777963391 623591764 /nfs/dbraw/zinc/59/17/64/623591764.db2.gz KSPLVZXZYBQQEW-QWHCGFSZSA-N 1 1 300.362 3.146 20 5 DGBDMO Cc1ccc([N+](=O)[O-])c(C)c1C[N@@H+](C[C@H]1CCOC1)C1CC1 ZINC000876570513 623647756 /nfs/dbraw/zinc/64/77/56/623647756.db2.gz FCQMCSFOYVUMDU-CQSZACIVSA-N 1 1 304.390 3.213 20 5 DGBDMO Cc1noc(C)c1C[N@@H+](C)Cc1c(C)ccc([N+](=O)[O-])c1C ZINC000876611192 623659072 /nfs/dbraw/zinc/65/90/72/623659072.db2.gz ACRKEJXUZUBSLY-UHFFFAOYSA-N 1 1 303.362 3.448 20 5 DGBDMO Cc1noc(C)c1C[N@H+](C)Cc1c(C)ccc([N+](=O)[O-])c1C ZINC000876611192 623659074 /nfs/dbraw/zinc/65/90/74/623659074.db2.gz ACRKEJXUZUBSLY-UHFFFAOYSA-N 1 1 303.362 3.448 20 5 DGBDMO C[N@@H+](C1CCCC1)C(C)(C)C(=O)OCc1cccc([N+](=O)[O-])c1 ZINC000779122145 623732717 /nfs/dbraw/zinc/73/27/17/623732717.db2.gz KOVREYKNKWQXQY-UHFFFAOYSA-N 1 1 320.389 3.291 20 5 DGBDMO Cc1nn(C[N@@H+]2CC[C@@H](c3ccc(Cl)cc3)C2)cc1[N+](=O)[O-] ZINC000779860572 623823757 /nfs/dbraw/zinc/82/37/57/623823757.db2.gz BYQKTHFAWGUWOW-CYBMUJFWSA-N 1 1 320.780 3.200 20 5 DGBDMO Cc1nn(C[N@H+]2CC[C@@H](c3ccc(Cl)cc3)C2)cc1[N+](=O)[O-] ZINC000779860572 623823762 /nfs/dbraw/zinc/82/37/62/623823762.db2.gz BYQKTHFAWGUWOW-CYBMUJFWSA-N 1 1 320.780 3.200 20 5 DGBDMO O=[N+]([O-])c1ccc(Cl)cc1C[NH2+]Cc1cnc2n1CCCC2 ZINC000790638217 625681638 /nfs/dbraw/zinc/68/16/38/625681638.db2.gz UUDHCZPXUXYHHN-UHFFFAOYSA-N 1 1 320.780 3.071 20 5 DGBDMO Cc1cnn([C@@H]2CC[N@@H+](Cc3c(C)ccc([N+](=O)[O-])c3C)C2)c1 ZINC000877542304 623934290 /nfs/dbraw/zinc/93/42/90/623934290.db2.gz MTBBHOSELTZQPQ-OAHLLOKOSA-N 1 1 314.389 3.164 20 5 DGBDMO C/C(=C/c1cccc([N+](=O)[O-])c1)CN1CC[C@@H]2[C@@H](CC[N@@H+]2C)C1 ZINC000877739905 624012707 /nfs/dbraw/zinc/01/27/07/624012707.db2.gz ICUWQCJBQPBBGK-MBMZNTITSA-N 1 1 315.417 3.024 20 5 DGBDMO Cc1csc([C@H]2CC[N@@H+](CCc3ccc([N+](=O)[O-])cc3)C2)n1 ZINC000877814061 624046112 /nfs/dbraw/zinc/04/61/12/624046112.db2.gz NGECHCKECKAFDI-AWEZNQCLSA-N 1 1 317.414 3.392 20 5 DGBDMO C[C@H](Nc1nc2ccc([N+](=O)[O-])cc2s1)C1=CC[N@@H+](C)CC1 ZINC000781394951 624065394 /nfs/dbraw/zinc/06/53/94/624065394.db2.gz RCZMMVFTMQJIQC-JTQLQIEISA-N 1 1 318.402 3.267 20 5 DGBDMO CCCC[N@@H+](Cc1nnc(-c2ccccc2[N+](=O)[O-])o1)C1CC1 ZINC000877962006 624112784 /nfs/dbraw/zinc/11/27/84/624112784.db2.gz VQEQYLAGWCRZBW-UHFFFAOYSA-N 1 1 316.361 3.409 20 5 DGBDMO CC(C)CC[N@@H+](C)Cc1nnc(-c2ccccc2[N+](=O)[O-])o1 ZINC000877975472 624119753 /nfs/dbraw/zinc/11/97/53/624119753.db2.gz OVWIJIPWXGANDY-UHFFFAOYSA-N 1 1 304.350 3.123 20 5 DGBDMO C[C@@H]1CC[C@@H](C)[N@@H+](Cc2nnc(-c3ccccc3[N+](=O)[O-])o2)C1 ZINC000878154241 624192098 /nfs/dbraw/zinc/19/20/98/624192098.db2.gz WNIDEVNYBZDEGU-VXGBXAGGSA-N 1 1 316.361 3.265 20 5 DGBDMO CC(C)[C@@H](O)CC[N@H+](C)Cc1cc([N+](=O)[O-])ccc1Cl ZINC000878206833 624216099 /nfs/dbraw/zinc/21/60/99/624216099.db2.gz CIOAWHSJLBOVSD-AWEZNQCLSA-N 1 1 300.786 3.087 20 5 DGBDMO CC(C)[C@@H](O)CC[N@@H+](C)Cc1cc([N+](=O)[O-])ccc1Cl ZINC000878206833 624216102 /nfs/dbraw/zinc/21/61/02/624216102.db2.gz CIOAWHSJLBOVSD-AWEZNQCLSA-N 1 1 300.786 3.087 20 5 DGBDMO CCC[C@H](C)[N@@H+](C)CCC(=O)Nc1cc([N+](=O)[O-])ccc1F ZINC000782477228 624255834 /nfs/dbraw/zinc/25/58/34/624255834.db2.gz KFRQYXVJVVHOMF-NSHDSACASA-N 1 1 311.357 3.183 20 5 DGBDMO CC[C@H]1CC[C@H](C)[N@H+]1CCC(=O)Nc1cc([N+](=O)[O-])ccc1F ZINC000782532329 624261140 /nfs/dbraw/zinc/26/11/40/624261140.db2.gz SQPNWRVLSZWKFF-RYUDHWBXSA-N 1 1 323.368 3.325 20 5 DGBDMO Cc1ncc([N+](=O)[O-])n1CC[N@H+]1C[C@@H](C)C[C@@H]1c1ccccc1 ZINC000878612601 624321902 /nfs/dbraw/zinc/32/19/02/624321902.db2.gz RNZHGJQPPCIHBA-XJKSGUPXSA-N 1 1 314.389 3.183 20 5 DGBDMO C[C@@H]1C[N@H+](Cc2nnc(-c3ccc(Cl)cc3[N+](=O)[O-])o2)[C@@H]1C ZINC000878651480 624331013 /nfs/dbraw/zinc/33/10/13/624331013.db2.gz AQDSMJDLZHICST-RKDXNWHRSA-N 1 1 322.752 3.138 20 5 DGBDMO C[C@@H]1C[N@@H+](Cc2nnc(-c3ccc(Cl)cc3[N+](=O)[O-])o2)[C@@H]1C ZINC000878651480 624331014 /nfs/dbraw/zinc/33/10/14/624331014.db2.gz AQDSMJDLZHICST-RKDXNWHRSA-N 1 1 322.752 3.138 20 5 DGBDMO C[C@@H]1C[N@H+](Cc2nnc(-c3ccc(Cl)cc3[N+](=O)[O-])o2)[C@H]1C ZINC000878651477 624331064 /nfs/dbraw/zinc/33/10/64/624331064.db2.gz AQDSMJDLZHICST-BDAKNGLRSA-N 1 1 322.752 3.138 20 5 DGBDMO C[C@@H]1C[N@@H+](Cc2nnc(-c3ccc(Cl)cc3[N+](=O)[O-])o2)[C@H]1C ZINC000878651477 624331065 /nfs/dbraw/zinc/33/10/65/624331065.db2.gz AQDSMJDLZHICST-BDAKNGLRSA-N 1 1 322.752 3.138 20 5 DGBDMO O=[N+]([O-])c1ccc(C[N@H+]2CCC[C@@H]3COCC[C@H]32)cc1Cl ZINC000783569969 624367587 /nfs/dbraw/zinc/36/75/87/624367587.db2.gz DLFXWBNXQDDYLE-TZMCWYRMSA-N 1 1 310.781 3.249 20 5 DGBDMO O=[N+]([O-])c1ccc(C[N@H+]2CC[C@H](C3CCOCC3)C2)cc1Cl ZINC000783572455 624368438 /nfs/dbraw/zinc/36/84/38/624368438.db2.gz ITPJCYAORPXVHI-AWEZNQCLSA-N 1 1 324.808 3.497 20 5 DGBDMO O=[N+]([O-])c1ccc(C[NH2+][C@H](CO)c2ccc(F)cc2)cc1Cl ZINC000783625424 624376322 /nfs/dbraw/zinc/37/63/22/624376322.db2.gz UGTMBAFLXOTERM-CQSZACIVSA-N 1 1 324.739 3.211 20 5 DGBDMO O=[N+]([O-])c1ccc(C[NH2+][C@H](CO)c2ccsc2)cc1Cl ZINC000783676741 624382717 /nfs/dbraw/zinc/38/27/17/624382717.db2.gz NANTYNFCWKHXNJ-GFCCVEGCSA-N 1 1 312.778 3.133 20 5 DGBDMO Cc1nn(C[N@H+]2CC[C@@H](c3ccc(C)cc3)C2)c(C)c1[N+](=O)[O-] ZINC000784022902 624424109 /nfs/dbraw/zinc/42/41/09/624424109.db2.gz CRRLNGUXJUOQIR-MRXNPFEDSA-N 1 1 314.389 3.164 20 5 DGBDMO CC(C)(C)[C@@H]1CC[N@@H+](Cn2ncc3cc([N+](=O)[O-])ccc32)C1 ZINC000784037747 624427121 /nfs/dbraw/zinc/42/71/21/624427121.db2.gz ZLQHBGUBXLHQKE-CYBMUJFWSA-N 1 1 302.378 3.270 20 5 DGBDMO Cc1ccc(N2CC[NH+](Cc3cccc([N+](=O)[O-])c3)CC2)cc1 ZINC000784392140 624519390 /nfs/dbraw/zinc/51/93/90/624519390.db2.gz PEOHAPLTWIZCHV-UHFFFAOYSA-N 1 1 311.385 3.225 20 5 DGBDMO Cc1ccc([N+](=O)[O-])cc1[C@H](C)OC(=O)C[NH+]1[C@H](C)CC[C@H]1C ZINC000785736916 624721488 /nfs/dbraw/zinc/72/14/88/624721488.db2.gz ZIBLELHCERUUHO-MCIONIFRSA-N 1 1 320.389 3.380 20 5 DGBDMO COc1ccc([N+](=O)[O-])cc1C[N@@H+]1CC[C@@](C)(C(F)(F)F)C1 ZINC000879999083 624745865 /nfs/dbraw/zinc/74/58/65/624745865.db2.gz HLGKAQONQZSNDJ-CYBMUJFWSA-N 1 1 318.295 3.378 20 5 DGBDMO COc1ccc([N+](=O)[O-])cc1C[N@H+]1CC[C@@](C)(C(F)(F)F)C1 ZINC000879999083 624745869 /nfs/dbraw/zinc/74/58/69/624745869.db2.gz HLGKAQONQZSNDJ-CYBMUJFWSA-N 1 1 318.295 3.378 20 5 DGBDMO C[C@@H]([NH2+]CC(=O)N1[C@@H](C)CCC[C@@H]1C)c1ccccc1[N+](=O)[O-] ZINC000880094497 624785193 /nfs/dbraw/zinc/78/51/93/624785193.db2.gz DYJOMZFZPFPDIA-MELADBBJSA-N 1 1 319.405 3.035 20 5 DGBDMO CC(C)CC[N@@H+](C)CCC(=O)Nc1cc([N+](=O)[O-])ccc1F ZINC000128324061 624900489 /nfs/dbraw/zinc/90/04/89/624900489.db2.gz JILIUJBSOPXFHS-UHFFFAOYSA-N 1 1 311.357 3.040 20 5 DGBDMO C[C@@H]1CCC[N@@H+](CCC(=O)Nc2cc([N+](=O)[O-])ccc2F)CC1 ZINC000128380518 624939221 /nfs/dbraw/zinc/93/92/21/624939221.db2.gz KDHHUPREFMFKTL-GFCCVEGCSA-N 1 1 323.368 3.185 20 5 DGBDMO C[N@@H+](CCC(=O)Nc1cc([N+](=O)[O-])ccc1F)CC1CCCC1 ZINC000128406778 624955422 /nfs/dbraw/zinc/95/54/22/624955422.db2.gz PUJLFQYXYUAQLO-UHFFFAOYSA-N 1 1 323.368 3.185 20 5 DGBDMO CC[N@H+](Cc1cc(F)ccc1[N+](=O)[O-])[C@@H](CO)c1ccccc1 ZINC000880459999 624961108 /nfs/dbraw/zinc/96/11/08/624961108.db2.gz NLBFBPFNDYPHIF-KRWDZBQOSA-N 1 1 318.348 3.289 20 5 DGBDMO CC[N@@H+](Cc1cc(F)ccc1[N+](=O)[O-])[C@@H](CO)c1ccccc1 ZINC000880459999 624961110 /nfs/dbraw/zinc/96/11/10/624961110.db2.gz NLBFBPFNDYPHIF-KRWDZBQOSA-N 1 1 318.348 3.289 20 5 DGBDMO CC[N@@H+](Cc1ccccc1[N+](=O)[O-])[C@@H](CO)c1ccccc1 ZINC000880459450 624961257 /nfs/dbraw/zinc/96/12/57/624961257.db2.gz VBGGFJYCSFZKET-KRWDZBQOSA-N 1 1 300.358 3.150 20 5 DGBDMO CC[N@@H+](Cc1ccc([N+](=O)[O-])c(F)c1)[C@@H](CO)c1ccccc1 ZINC000880461774 624961407 /nfs/dbraw/zinc/96/14/07/624961407.db2.gz JJKIXSDRAOVDAG-KRWDZBQOSA-N 1 1 318.348 3.289 20 5 DGBDMO C[N@@H+](CCOc1ccccc1)Cc1ccc([N+](=O)[O-])c(F)c1 ZINC000788471022 625188480 /nfs/dbraw/zinc/18/84/80/625188480.db2.gz QXSHGNMMDYZOSV-UHFFFAOYSA-N 1 1 304.321 3.245 20 5 DGBDMO CCC(CC)[C@@H](CN[C@@H](C)c1ccc(N)c([N+](=O)[O-])c1)[NH+](C)C ZINC000788521657 625205835 /nfs/dbraw/zinc/20/58/35/625205835.db2.gz WBJHHLVCHHWJPO-YVEFUNNKSA-N 1 1 322.453 3.194 20 5 DGBDMO C[C@H](N[C@H](CC[NH+](C)C)C(C)(C)C)c1ccc(N)c([N+](=O)[O-])c1 ZINC000788613557 625229558 /nfs/dbraw/zinc/22/95/58/625229558.db2.gz YEIIFHQWIWMTEN-BLLLJJGKSA-N 1 1 322.453 3.194 20 5 DGBDMO C[C@H]([NH2+][C@H](CCN(C)C)C(C)(C)C)c1ccc(N)c([N+](=O)[O-])c1 ZINC000788613557 625229559 /nfs/dbraw/zinc/22/95/59/625229559.db2.gz YEIIFHQWIWMTEN-BLLLJJGKSA-N 1 1 322.453 3.194 20 5 DGBDMO CC[N@H+]1CC[C@@H]1CNC(=O)c1cc2ccccc2c2cccnc12 ZINC000882484187 625737981 /nfs/dbraw/zinc/73/79/81/625737981.db2.gz VKHDIHTWVPHOQU-OAHLLOKOSA-N 1 1 319.408 3.212 20 5 DGBDMO CC[N@H+]1CC[C@H]1CNC(=O)c1cc2ccccc2c2cccnc12 ZINC000882484186 625738078 /nfs/dbraw/zinc/73/80/78/625738078.db2.gz VKHDIHTWVPHOQU-HNNXBMFYSA-N 1 1 319.408 3.212 20 5 DGBDMO O=[N+]([O-])c1ccccc1/C=C\C[N@H+]1CC[C@H](c2ccccn2)C1 ZINC000798962949 626263884 /nfs/dbraw/zinc/26/38/84/626263884.db2.gz UBEZGRZDRZEWQQ-WRLNGNIRSA-N 1 1 309.369 3.493 20 5 DGBDMO CSCCC[N@@H+](C)Cn1cc(-c2ccc([N+](=O)[O-])cc2)cn1 ZINC000799162411 626276864 /nfs/dbraw/zinc/27/68/64/626276864.db2.gz SOEVFRGDELELOH-UHFFFAOYSA-N 1 1 320.418 3.101 20 5 DGBDMO COCC[N@H+](Cc1cccs1)Cc1ccc([N+](=O)[O-])c(F)c1 ZINC000801509649 626406456 /nfs/dbraw/zinc/40/64/56/626406456.db2.gz UGEONEGFLPBTGV-UHFFFAOYSA-N 1 1 324.377 3.444 20 5 DGBDMO COCC[N@@H+](Cc1cccs1)Cc1ccc([N+](=O)[O-])c(F)c1 ZINC000801509649 626406458 /nfs/dbraw/zinc/40/64/58/626406458.db2.gz UGEONEGFLPBTGV-UHFFFAOYSA-N 1 1 324.377 3.444 20 5 DGBDMO CCO[C@H]1C[C@H]([N@@H+](C)Cc2ccc([N+](=O)[O-])c(F)c2)C1(C)C ZINC000801517177 626406745 /nfs/dbraw/zinc/40/67/45/626406745.db2.gz AMIUDCFUOILNHD-GJZGRUSLSA-N 1 1 310.369 3.369 20 5 DGBDMO CC(=O)c1cc([N+](=O)[O-])ccc1NC[C@@H]1CC[N@H+](CC(C)C)C1 ZINC000804543512 626691495 /nfs/dbraw/zinc/69/14/95/626691495.db2.gz BISLRSFBIHPNGG-AWEZNQCLSA-N 1 1 319.405 3.187 20 5 DGBDMO C[C@H](C[N@@H+](C)Cc1ccccc1)Nc1ccc(N)cc1[N+](=O)[O-] ZINC000804596447 626696515 /nfs/dbraw/zinc/69/65/15/626696515.db2.gz LKCQKLSFFQBOJH-CYBMUJFWSA-N 1 1 314.389 3.109 20 5 DGBDMO CC(C)[N@H+](Cc1cc(Cl)cc(Cl)c1[N+](=O)[O-])C[C@@H](C)O ZINC000809944745 626961468 /nfs/dbraw/zinc/96/14/68/626961468.db2.gz SZNMPNMOXYWXKU-SECBINFHSA-N 1 1 321.204 3.493 20 5 DGBDMO Cc1ccc(NC(=O)[C@@]2(F)CC[N@H+](C(C)(C)C)C2)cc1[N+](=O)[O-] ZINC000810557016 627016138 /nfs/dbraw/zinc/01/61/38/627016138.db2.gz BUVGBENOHMYXKT-MRXNPFEDSA-N 1 1 323.368 3.054 20 5 DGBDMO COc1ccc([C@H]2CCC[N@@H+]2Cc2cccnc2[N+](=O)[O-])cc1 ZINC000885944182 627065770 /nfs/dbraw/zinc/06/57/70/627065770.db2.gz KUIYNIIVUIWNDB-MRXNPFEDSA-N 1 1 313.357 3.336 20 5 DGBDMO COc1ccc([C@H]2CCC[N@H+]2Cc2cccnc2[N+](=O)[O-])cc1 ZINC000885944182 627065771 /nfs/dbraw/zinc/06/57/71/627065771.db2.gz KUIYNIIVUIWNDB-MRXNPFEDSA-N 1 1 313.357 3.336 20 5 DGBDMO O=[N+]([O-])c1ncccc1C[N@@H+]1CCS[C@H](c2ccccc2)C1 ZINC000886015118 627084513 /nfs/dbraw/zinc/08/45/13/627084513.db2.gz VVGVHVCBKVWWCC-HNNXBMFYSA-N 1 1 315.398 3.280 20 5 DGBDMO O=[N+]([O-])c1ncccc1C[N@H+]1CCS[C@H](c2ccccc2)C1 ZINC000886015118 627084515 /nfs/dbraw/zinc/08/45/15/627084515.db2.gz VVGVHVCBKVWWCC-HNNXBMFYSA-N 1 1 315.398 3.280 20 5 DGBDMO CCOc1cccc([C@H](C)[NH2+]Cc2cccnc2[N+](=O)[O-])c1 ZINC000886109352 627106610 /nfs/dbraw/zinc/10/66/10/627106610.db2.gz IIIAADYLCKBXHQ-LBPRGKRZSA-N 1 1 301.346 3.239 20 5 DGBDMO Cc1ccccc1[C@H](CO)[N@H+](C)Cc1ccc([N+](=O)[O-])cc1F ZINC000886433903 627148622 /nfs/dbraw/zinc/14/86/22/627148622.db2.gz WOFFYHNSDVSZPB-KRWDZBQOSA-N 1 1 318.348 3.208 20 5 DGBDMO Cc1ccccc1[C@H](CO)[N@@H+](C)Cc1ccc([N+](=O)[O-])cc1F ZINC000886433903 627148623 /nfs/dbraw/zinc/14/86/23/627148623.db2.gz WOFFYHNSDVSZPB-KRWDZBQOSA-N 1 1 318.348 3.208 20 5 DGBDMO Cc1ncc([N+](=O)[O-])n1CC[N@@H+]1CC[C@H](C)[C@H]1c1ccccc1 ZINC000886540163 627159160 /nfs/dbraw/zinc/15/91/60/627159160.db2.gz ABUIPLUSLQMOEF-GUYCJALGSA-N 1 1 314.389 3.183 20 5 DGBDMO C[C@@H](c1cccc([N+](=O)[O-])c1)[N@H+]1CCC[C@@H](c2ncccn2)C1 ZINC000886676741 627187384 /nfs/dbraw/zinc/18/73/84/627187384.db2.gz LIVLCHFUUNKDLG-DZGCQCFKSA-N 1 1 312.373 3.325 20 5 DGBDMO O=[N+]([O-])c1cc(Cl)ccc1C[N@H+]1CC[C@@H]([C@@H]2CCCO2)C1 ZINC000886815376 627208137 /nfs/dbraw/zinc/20/81/37/627208137.db2.gz COZNHKRWASSQPF-DOMZBBRYSA-N 1 1 310.781 3.249 20 5 DGBDMO O=[N+]([O-])c1ccc(Cl)c(C[N@H+]2CC[C@@H]([C@@H]3CCCO3)C2)c1 ZINC000886830911 627209728 /nfs/dbraw/zinc/20/97/28/627209728.db2.gz ZRENTOBWTZRLPA-ABAIWWIYSA-N 1 1 310.781 3.249 20 5 DGBDMO COC(=O)c1ccc([N+](=O)[O-])c(C[N@H+]2CCC3(CCCC3)C2)c1 ZINC000811463295 627276895 /nfs/dbraw/zinc/27/68/95/627276895.db2.gz PYNGYDRPQBRXDX-UHFFFAOYSA-N 1 1 318.373 3.148 20 5 DGBDMO O=[N+]([O-])c1c(Cl)cc(Cl)cc1C[NH2+]CCN1CCCC1 ZINC000811485926 627280567 /nfs/dbraw/zinc/28/05/67/627280567.db2.gz ARHMRTAONKTDTK-UHFFFAOYSA-N 1 1 318.204 3.087 20 5 DGBDMO Cc1[nH+]ccn1-c1ncccc1CNc1ccc([N+](=O)[O-])s1 ZINC000811826068 627326067 /nfs/dbraw/zinc/32/60/67/627326067.db2.gz SFRIIRUGEKPBHQ-UHFFFAOYSA-N 1 1 315.358 3.158 20 5 DGBDMO CCC[N@@H+](CC)C[C@H](C)Nc1c([N+](=O)[O-])cccc1[N+](=O)[O-] ZINC000811867245 627331784 /nfs/dbraw/zinc/33/17/84/627331784.db2.gz MSPMORPTJDQGOP-NSHDSACASA-N 1 1 310.354 3.035 20 5 DGBDMO COc1ccc(OC)c(C[NH2+]Cc2ccc(C)c([N+](=O)[O-])c2)c1 ZINC000889711438 627460261 /nfs/dbraw/zinc/46/02/61/627460261.db2.gz XBYALLWIJXYNPS-UHFFFAOYSA-N 1 1 316.357 3.210 20 5 DGBDMO Cc1ccc([C@H](C)[NH2+]Cc2cnn(C)c2Cl)cc1[N+](=O)[O-] ZINC000815128728 627633292 /nfs/dbraw/zinc/63/32/92/627633292.db2.gz LENFYUNHRWSEEF-JTQLQIEISA-N 1 1 308.769 3.141 20 5 DGBDMO C[N@H+]1CCC[C@@]2(CCN(Cc3cc([N+](=O)[O-])ccc3Cl)C2)C1 ZINC000815144303 627636405 /nfs/dbraw/zinc/63/64/05/627636405.db2.gz YDMWEMVARNLLQR-MRXNPFEDSA-N 1 1 323.824 3.166 20 5 DGBDMO C[C@@H]([NH2+]Cc1ccccc1[N+](=O)[O-])c1ccnn1C1CCC1 ZINC000925310441 627729082 /nfs/dbraw/zinc/72/90/82/627729082.db2.gz MEVSOEDELKIHKC-GFCCVEGCSA-N 1 1 300.362 3.367 20 5 DGBDMO Cc1cc(NC(=O)/C=C\c2ccc([N+](=O)[O-])cc2)cn2cc[nH+]c12 ZINC000818055975 627990966 /nfs/dbraw/zinc/99/09/66/627990966.db2.gz JPSRKZWPWLEDHF-DAXSKMNVSA-N 1 1 322.324 3.203 20 5 DGBDMO C[C@H]([NH2+][C@H]1C[C@]1(F)c1ccccc1)c1ccc(N)c([N+](=O)[O-])c1 ZINC000818357314 628018405 /nfs/dbraw/zinc/01/84/05/628018405.db2.gz ZCCUNYKDQQZMIO-GOPGUHFVSA-N 1 1 315.348 3.465 20 5 DGBDMO C[C@H]1[C@H](NC(=O)c2cc3ccccc3c3cccnc23)CC[N@H+]1C ZINC000928458161 628153008 /nfs/dbraw/zinc/15/30/08/628153008.db2.gz RMPJJCIJLVTICW-SCLBCKFNSA-N 1 1 319.408 3.210 20 5 DGBDMO Cc1cc([N+](=O)[O-])ccc1C[N@H+](C)C[C@](C)(O)c1ccccc1 ZINC000822517386 628461038 /nfs/dbraw/zinc/46/10/38/628461038.db2.gz WWMANVQJLHPWMD-SFHVURJKSA-N 1 1 314.385 3.243 20 5 DGBDMO O=[N+]([O-])c1ccc([C@H]2CCC[N@@H+](C[C@@H]3CCC=CO3)C2)cc1 ZINC000824820719 628697495 /nfs/dbraw/zinc/69/74/95/628697495.db2.gz LCKCDYOSKWGMRW-RDJZCZTQSA-N 1 1 302.374 3.467 20 5 DGBDMO C[N@@H+](Cc1ccc([N+](=O)[O-])c(Cl)c1)[C@H](CO)CC(C)(C)C ZINC000825040451 628719638 /nfs/dbraw/zinc/71/96/38/628719638.db2.gz KQPLXLWKMUAVLC-LBPRGKRZSA-N 1 1 314.813 3.477 20 5 DGBDMO COC[C@@H]1CCC[N@@H+](Cc2cc(Cl)ccc2[N+](=O)[O-])CC1 ZINC000825321989 628748927 /nfs/dbraw/zinc/74/89/27/628748927.db2.gz UHXBIMADTQRUHU-GFCCVEGCSA-N 1 1 312.797 3.497 20 5 DGBDMO COC[C@H]1CCC[N@@H+](Cc2ccc(Cl)c([N+](=O)[O-])c2)CC1 ZINC000825321575 628749011 /nfs/dbraw/zinc/74/90/11/628749011.db2.gz HLRYTCJNGXHHCF-LBPRGKRZSA-N 1 1 312.797 3.497 20 5 DGBDMO C[C@H]1CCC[N@H+]1CCNc1nccc2c1cccc2[N+](=O)[O-] ZINC000827695914 628983489 /nfs/dbraw/zinc/98/34/89/628983489.db2.gz FHXWNOZVBNBXFU-LBPRGKRZSA-N 1 1 300.362 3.039 20 5 DGBDMO C[C@H]1CN(c2cc(Cl)ccc2[N+](=O)[O-])CC[N@H+](C2CC2)C1 ZINC000828263298 629039359 /nfs/dbraw/zinc/03/93/59/629039359.db2.gz AMFWRUFGDSXBHZ-LLVKDONJSA-N 1 1 309.797 3.169 20 5 DGBDMO O=[N+]([O-])c1ccc([C@H](O)C[N@H+]2CCCC[C@H]2C2CCC2)cc1 ZINC000830989205 629327160 /nfs/dbraw/zinc/32/71/60/629327160.db2.gz UMGFSXXFTAHBFP-DLBZAZTESA-N 1 1 304.390 3.283 20 5 DGBDMO O=[N+]([O-])c1cccc([C@H](O)C[N@H+]2CCCC[C@@H]2C2CCC2)c1 ZINC000830988283 629327340 /nfs/dbraw/zinc/32/73/40/629327340.db2.gz JNBNGWALXYASIY-IAGOWNOFSA-N 1 1 304.390 3.283 20 5 DGBDMO CC1(C)C[C@@H]([NH2+][C@@H]2CCn3ccnc32)c2cc([N+](=O)[O-])ccc21 ZINC000834831151 629786414 /nfs/dbraw/zinc/78/64/14/629786414.db2.gz IHEAPSNZWIZEQK-HUUCEWRRSA-N 1 1 312.373 3.248 20 5 DGBDMO O=[N+]([O-])c1ccc(Cl)c(CN2CCC[C@H]([C@@H]3CC[NH2+]C3)C2)c1 ZINC000843125823 630616585 /nfs/dbraw/zinc/61/65/85/630616585.db2.gz JHOFBBMNXKYEDL-OLZOCXBDSA-N 1 1 323.824 3.070 20 5 DGBDMO COc1ccc([N+](=O)[O-])cc1C[N@H+]1CCC[C@@]2(CC2(F)F)C1 ZINC000844438367 630729773 /nfs/dbraw/zinc/72/97/73/630729773.db2.gz XMTPMUIIRUCOEF-CQSZACIVSA-N 1 1 312.316 3.225 20 5 DGBDMO C[C@@H](C(=O)OC[C@H]1CC[N@H+]1C(C)(C)C)c1cccc([N+](=O)[O-])c1 ZINC000845734518 631192544 /nfs/dbraw/zinc/19/25/44/631192544.db2.gz GBCZZEQEGWQUSY-IUODEOHRSA-N 1 1 320.389 3.114 20 5 DGBDMO O=[N+]([O-])c1ccc(C[N@@H+]2CC[C@@]3(CC3(F)F)C2)cc1Cl ZINC000846117808 631210561 /nfs/dbraw/zinc/21/05/61/631210561.db2.gz RQIBAVDXPBCRGK-GFCCVEGCSA-N 1 1 302.708 3.479 20 5 DGBDMO O=[N+]([O-])c1ccc(C[N@H+]2CC[C@@]3(CC3(F)F)C2)cc1Cl ZINC000846117808 631210562 /nfs/dbraw/zinc/21/05/62/631210562.db2.gz RQIBAVDXPBCRGK-GFCCVEGCSA-N 1 1 302.708 3.479 20 5 DGBDMO O=[N+]([O-])c1ccc(F)cc1C[N@@H+]1CCC[C@H](OC2CCC2)C1 ZINC000847038292 631387967 /nfs/dbraw/zinc/38/79/67/631387967.db2.gz SYCFQHGSQMISKR-HNNXBMFYSA-N 1 1 308.353 3.267 20 5 DGBDMO O=[N+]([O-])c1ccc(F)cc1C[N@H+]1CCC[C@H](OC2CCC2)C1 ZINC000847038292 631387970 /nfs/dbraw/zinc/38/79/70/631387970.db2.gz SYCFQHGSQMISKR-HNNXBMFYSA-N 1 1 308.353 3.267 20 5 DGBDMO CC[N@@H+](CCSC)Cn1cc(-c2ccccc2[N+](=O)[O-])cn1 ZINC000848489861 631669863 /nfs/dbraw/zinc/66/98/63/631669863.db2.gz TXTITKMZDPGEDN-UHFFFAOYSA-N 1 1 320.418 3.101 20 5 DGBDMO C[C@@H](CN[C@@H]1CCc2c1cccc2[N+](=O)[O-])[NH+]1CCCCC1 ZINC000848521418 631675809 /nfs/dbraw/zinc/67/58/09/631675809.db2.gz OFFHVHVBUWJHFE-XJKSGUPXSA-N 1 1 303.406 3.046 20 5 DGBDMO O=[N+]([O-])c1ccc(Cl)c(CN[C@H]2CCC[N@H+]3CCCC[C@H]23)c1 ZINC000848575493 631700912 /nfs/dbraw/zinc/70/09/12/631700912.db2.gz RILYNIAUIDYFJR-JKSUJKDBSA-N 1 1 323.824 3.355 20 5 DGBDMO O=[N+]([O-])c1ccc(Cl)c(C[NH2+][C@H]2CCCN3CCCC[C@H]23)c1 ZINC000848575493 631700918 /nfs/dbraw/zinc/70/09/18/631700918.db2.gz RILYNIAUIDYFJR-JKSUJKDBSA-N 1 1 323.824 3.355 20 5 DGBDMO O=[N+]([O-])c1ccc(CN[C@@H]2CCC[N@@H+]3CCCC[C@H]23)cc1Cl ZINC000848927633 631790851 /nfs/dbraw/zinc/79/08/51/631790851.db2.gz JLCUUYVTQHAGNQ-GDBMZVCRSA-N 1 1 323.824 3.355 20 5 DGBDMO O=[N+]([O-])c1ccc(CN[C@@H]2CCC[N@H+]3CCCC[C@H]23)cc1Cl ZINC000848927633 631790855 /nfs/dbraw/zinc/79/08/55/631790855.db2.gz JLCUUYVTQHAGNQ-GDBMZVCRSA-N 1 1 323.824 3.355 20 5 DGBDMO CC(C)(C)[N@H+]1CC[C@H](NCc2cc(Cl)ccc2[N+](=O)[O-])C1 ZINC000850351736 632121842 /nfs/dbraw/zinc/12/18/42/632121842.db2.gz SGFMPSPOPRQFLZ-ZDUSSCGKSA-N 1 1 311.813 3.211 20 5 DGBDMO CC[N@@H+](CCc1ccccn1)Cc1ccc(F)cc1[N+](=O)[O-] ZINC000851824340 632503122 /nfs/dbraw/zinc/50/31/22/632503122.db2.gz FRCQOKPHFPKVLA-UHFFFAOYSA-N 1 1 303.337 3.194 20 5 DGBDMO C[N@@H+](Cc1ccc(F)cc1[N+](=O)[O-])C[C@@](C)(O)c1ccccc1 ZINC000852193272 632568750 /nfs/dbraw/zinc/56/87/50/632568750.db2.gz ZVQKZNCYRHENNJ-QGZVFWFLSA-N 1 1 318.348 3.073 20 5 DGBDMO C[C@@]12COC[C@]1(C)C[N@@H+](Cc1cc([N+](=O)[O-])ccc1Cl)C2 ZINC000852463705 632605555 /nfs/dbraw/zinc/60/55/55/632605555.db2.gz UPPJFTIJJSJIIG-GASCZTMLSA-N 1 1 310.781 3.107 20 5 DGBDMO C[C@@]12COC[C@]1(C)C[N@H+](Cc1cc([N+](=O)[O-])ccc1Cl)C2 ZINC000852463705 632605556 /nfs/dbraw/zinc/60/55/56/632605556.db2.gz UPPJFTIJJSJIIG-GASCZTMLSA-N 1 1 310.781 3.107 20 5 DGBDMO C[C@@]12COC[C@]1(C)C[N@@H+](Cc1ccc(Cl)c([N+](=O)[O-])c1)C2 ZINC000852463814 632605774 /nfs/dbraw/zinc/60/57/74/632605774.db2.gz VVNNDFKRNFJPLG-GASCZTMLSA-N 1 1 310.781 3.107 20 5 DGBDMO C[C@@]12COC[C@]1(C)C[N@H+](Cc1ccc(Cl)c([N+](=O)[O-])c1)C2 ZINC000852463814 632605777 /nfs/dbraw/zinc/60/57/77/632605777.db2.gz VVNNDFKRNFJPLG-GASCZTMLSA-N 1 1 310.781 3.107 20 5 DGBDMO C[C@@H]1C[C@@H](C)[C@H](C)[N@@H+](Cc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])C1 ZINC000792879391 660991017 /nfs/dbraw/zinc/99/10/17/660991017.db2.gz HIPADURREWJINJ-UTUOFQBUSA-N 1 1 307.350 3.369 20 5 DGBDMO C[C@@H]1C[C@H](C)[C@H](C)[N@@H+](Cc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])C1 ZINC000792879392 660990992 /nfs/dbraw/zinc/99/09/92/660990992.db2.gz HIPADURREWJINJ-WOPDTQHZSA-N 1 1 307.350 3.369 20 5 DGBDMO CC(C)[C@H]1[N@@H+](C[C@@H](O)c2ccc([N+](=O)[O-])cc2)CC12CCC2 ZINC000793004376 661000008 /nfs/dbraw/zinc/00/00/08/661000008.db2.gz LJBZJJMALIORIB-HZPDHXFCSA-N 1 1 304.390 3.139 20 5 DGBDMO CC(C)[C@@H]1[N@@H+](C[C@@H](O)c2ccc([N+](=O)[O-])cc2)CC12CCC2 ZINC000793004372 661000034 /nfs/dbraw/zinc/00/00/34/661000034.db2.gz LJBZJJMALIORIB-CVEARBPZSA-N 1 1 304.390 3.139 20 5 DGBDMO Cc1cccc(C[N@@H+](C)C[C@@H](O)c2cccc([N+](=O)[O-])c2)c1C ZINC000794640478 661095826 /nfs/dbraw/zinc/09/58/26/661095826.db2.gz GTQHGVNAMXCLER-GOSISDBHSA-N 1 1 314.385 3.377 20 5 DGBDMO O=[N+]([O-])c1cc(C[N@@H+]2CCOC[C@@H](C3CCC3)C2)ccc1Cl ZINC000795285392 661138342 /nfs/dbraw/zinc/13/83/42/661138342.db2.gz CEQRZFUBHJJEFY-AWEZNQCLSA-N 1 1 324.808 3.497 20 5 DGBDMO O=[N+]([O-])c1cc(C[N@H+]2CCOC[C@@H](C3CCC3)C2)ccc1Cl ZINC000795285392 661138343 /nfs/dbraw/zinc/13/83/43/661138343.db2.gz CEQRZFUBHJJEFY-AWEZNQCLSA-N 1 1 324.808 3.497 20 5 DGBDMO O=[N+]([O-])c1ccc(F)cc1C[N@H+]1CCCSC[C@@H]1C1CC1 ZINC000933916450 655738331 /nfs/dbraw/zinc/73/83/31/655738331.db2.gz RCJOHNUXMYQEMT-OAHLLOKOSA-N 1 1 310.394 3.451 20 5 DGBDMO C[N@@H+](CCc1ccc([N+](=O)[O-])cc1)Cc1ccccc1[N+](=O)[O-] ZINC000052589549 655827057 /nfs/dbraw/zinc/82/70/57/655827057.db2.gz BYAIHUQFRXRDGO-UHFFFAOYSA-N 1 1 315.329 3.178 20 5 DGBDMO C[C@@H]1C[C@@H](Nc2cc(Cl)c(F)cc2[N+](=O)[O-])CC[N@H+]1C ZINC000235443412 655906047 /nfs/dbraw/zinc/90/60/47/655906047.db2.gz NXWHICIKQCDUNF-BDAKNGLRSA-N 1 1 301.749 3.282 20 5 DGBDMO C[N@@H+](Cc1ccccc1[N+](=O)[O-])C[C@H](O)c1c(F)cccc1F ZINC000051322989 656140828 /nfs/dbraw/zinc/14/08/28/656140828.db2.gz YPNNLYOCHHDDGZ-HNNXBMFYSA-N 1 1 322.311 3.038 20 5 DGBDMO C[N@H+](Cc1ccccc1[N+](=O)[O-])C[C@H](O)c1c(F)cccc1F ZINC000051322989 656140830 /nfs/dbraw/zinc/14/08/30/656140830.db2.gz YPNNLYOCHHDDGZ-HNNXBMFYSA-N 1 1 322.311 3.038 20 5 DGBDMO CC(C)[N@@H+](C)CCNc1cccc(Br)c1[N+](=O)[O-] ZINC000310976514 656163314 /nfs/dbraw/zinc/16/33/14/656163314.db2.gz SHMQEURKFAWSLD-UHFFFAOYSA-N 1 1 316.199 3.109 20 5 DGBDMO C[C@@H](c1ccc(F)nc1)[N@@H+](C)CCc1cccc([N+](=O)[O-])c1 ZINC000930354650 661274132 /nfs/dbraw/zinc/27/41/32/661274132.db2.gz RKJQDBCIYCTWDA-LBPRGKRZSA-N 1 1 303.337 3.364 20 5 DGBDMO CCC[N@@H+](Cn1nccc1[N+](=O)[O-])[C@H]1CCc2ccccc2C1 ZINC000057104968 659004014 /nfs/dbraw/zinc/00/40/14/659004014.db2.gz NCNJSEJUOXGPDC-INIZCTEOSA-N 1 1 314.389 3.018 20 5 DGBDMO CC[N@H+](Cc1ccc([N+](=O)[O-])cc1)C[C@@H](O)c1ccc(C)cc1 ZINC000174278403 659426417 /nfs/dbraw/zinc/42/64/17/659426417.db2.gz BMMSHUXEHHXWOM-GOSISDBHSA-N 1 1 314.385 3.459 20 5 DGBDMO CC[N@H+](Cc1ccccc1[N+](=O)[O-])C[C@@H](O)c1ccc(C)cc1 ZINC000174725716 659540886 /nfs/dbraw/zinc/54/08/86/659540886.db2.gz YOHPHSJFVCBYBI-GOSISDBHSA-N 1 1 314.385 3.459 20 5 DGBDMO Cc1nc(-c2ccccc2)sc1[C@@H](C)[N@H+](C)CC[N+](=O)[O-] ZINC000929837324 659673971 /nfs/dbraw/zinc/67/39/71/659673971.db2.gz YUSMJQWVLGGQOP-GFCCVEGCSA-N 1 1 305.403 3.388 20 5 DGBDMO Cc1nc(-c2ccccc2)sc1[C@@H](C)[N@@H+](C)CC[N+](=O)[O-] ZINC000929837324 659673972 /nfs/dbraw/zinc/67/39/72/659673972.db2.gz YUSMJQWVLGGQOP-GFCCVEGCSA-N 1 1 305.403 3.388 20 5 DGBDMO O=[N+]([O-])c1ccc(Cl)cc1C[N@H+](CCO)Cc1ccccc1 ZINC000174820219 659736217 /nfs/dbraw/zinc/73/62/17/659736217.db2.gz NZWYBBGQXAMDDW-UHFFFAOYSA-N 1 1 320.776 3.243 20 5 DGBDMO O=[N+]([O-])c1ccc(Cl)cc1C[N@@H+](CCO)Cc1ccccc1 ZINC000174820219 659736224 /nfs/dbraw/zinc/73/62/24/659736224.db2.gz NZWYBBGQXAMDDW-UHFFFAOYSA-N 1 1 320.776 3.243 20 5 DGBDMO C[C@H](c1ccccc1[N+](=O)[O-])[N@H+]1CCC[C@H](c2nccn2C)C1 ZINC000444797139 659887546 /nfs/dbraw/zinc/88/75/46/659887546.db2.gz CMBNYWOHBYEQGY-KGLIPLIRSA-N 1 1 314.389 3.269 20 5 DGBDMO CCC(O)(CC)C[N@@H+](C)Cc1cc([N+](=O)[O-])ccc1Cl ZINC000180664127 659967628 /nfs/dbraw/zinc/96/76/28/659967628.db2.gz SCGBCIJYJHPDCE-UHFFFAOYSA-N 1 1 300.786 3.231 20 5 DGBDMO O=[N+]([O-])CC[N@H+]1CC=C(c2ccccc2C(F)(F)F)CC1 ZINC000930035074 661360209 /nfs/dbraw/zinc/36/02/09/661360209.db2.gz INMHLIVEJWGUJZ-UHFFFAOYSA-N 1 1 300.280 3.071 20 5 DGBDMO O=[N+]([O-])CC[N@@H+]1CC=C(c2ccccc2C(F)(F)F)CC1 ZINC000930035074 661360210 /nfs/dbraw/zinc/36/02/10/661360210.db2.gz INMHLIVEJWGUJZ-UHFFFAOYSA-N 1 1 300.280 3.071 20 5 DGBDMO C[C@@H]1C[C@H](C[N@@H+](C)CCc2ccccc2[N+](=O)[O-])C[C@H](C)O1 ZINC000930438435 661398539 /nfs/dbraw/zinc/39/85/39/661398539.db2.gz AJTPVLHMYPOJSM-FICVDOATSA-N 1 1 306.406 3.273 20 5 DGBDMO Cc1nc(C)c(C[N@H+]2CCC[C@@H](c3ccc([N+](=O)[O-])cc3)C2)[nH]1 ZINC000930638318 661417565 /nfs/dbraw/zinc/41/75/65/661417565.db2.gz NBRIRUKLBWHLLW-OAHLLOKOSA-N 1 1 314.389 3.314 20 5 DGBDMO Cc1nc([C@@H]2CC[N@H+]([C@H](C)c3cc([N+](=O)[O-])ccc3C)C2)no1 ZINC000931938232 661524451 /nfs/dbraw/zinc/52/44/51/661524451.db2.gz LPDNMCMMGUBBKT-DGCLKSJQSA-N 1 1 316.361 3.145 20 5 DGBDMO COC(=O)C[C@@H]1C[N@H+]([C@@H](C)c2cc([N+](=O)[O-])ccc2C)C[C@H]1C ZINC000932105781 661536970 /nfs/dbraw/zinc/53/69/70/661536970.db2.gz WXNDPIWCSXGYEC-HZSPNIEDSA-N 1 1 320.389 3.095 20 5 DGBDMO CC[C@H]([NH2+]Cc1cccnc1[N+](=O)[O-])c1cc(F)ccc1OC ZINC000932470989 661572402 /nfs/dbraw/zinc/57/24/02/661572402.db2.gz CXURRHUIGLJQPD-AWEZNQCLSA-N 1 1 319.336 3.378 20 5 DGBDMO O=[N+]([O-])c1cccc([C@@H](O)C[N@H+]2C[C@H](C3CC3)C[C@@H]2C2CC2)c1 ZINC000932888632 661606280 /nfs/dbraw/zinc/60/62/80/661606280.db2.gz BERIZMNJQDWIOP-NXHRZFHOSA-N 1 1 316.401 3.139 20 5 DGBDMO O=[N+]([O-])c1ccc([C@H](O)C[N@H+]2C[C@H](C3CC3)C[C@@H]2C2CC2)cc1 ZINC000932888747 661606432 /nfs/dbraw/zinc/60/64/32/661606432.db2.gz LITUVUWJUOMWLH-KBAYOESNSA-N 1 1 316.401 3.139 20 5 DGBDMO Cc1csc(C[C@@H]2CC[N@@H+](Cc3cccc([N+](=O)[O-])c3)C2)n1 ZINC000933130454 661619017 /nfs/dbraw/zinc/61/90/17/661619017.db2.gz MQWMSNFCQNMVRA-AWEZNQCLSA-N 1 1 317.414 3.424 20 5 DGBDMO CC[C@@H](NC(=O)[C@H]1CCC[N@H+]1C(C)C)c1cccc([N+](=O)[O-])c1 ZINC000934208966 661688204 /nfs/dbraw/zinc/68/82/04/661688204.db2.gz HKUNWHLGPOFZAG-HZPDHXFCSA-N 1 1 319.405 3.035 20 5 DGBDMO C[C@]12CSC[C@H]1C[N@@H+](Cc1ccc(Cl)c([N+](=O)[O-])c1)C2 ZINC000934767901 661733164 /nfs/dbraw/zinc/73/31/64/661733164.db2.gz AMCXIEUHHTVNTK-RISCZKNCSA-N 1 1 312.822 3.433 20 5 DGBDMO O=[N+]([O-])c1ccc(C[N@H+]2CCCC[C@@H]([C@H]3CCOC3)C2)cc1 ZINC000934837653 661739643 /nfs/dbraw/zinc/73/96/43/661739643.db2.gz UZWDVOKYIMPCCW-CVEARBPZSA-N 1 1 304.390 3.233 20 5 DGBDMO C[N@@H+](CCCNCc1csc([N+](=O)[O-])c1)C1CCCCC1 ZINC000037901200 662261994 /nfs/dbraw/zinc/26/19/94/662261994.db2.gz RTTNBSRCKCBLLT-UHFFFAOYSA-N 1 1 311.451 3.401 20 5 DGBDMO C[C@H]1CCCC[C@]1(CN)[NH2+]Cc1ccc(Cl)c([N+](=O)[O-])c1 ZINC001576689978 1191862775 /nfs/dbraw/zinc/86/27/75/1191862775.db2.gz GGWOYFXZUHSXQY-XHDPSFHLSA-N 1 1 311.813 3.245 20 5 DGBDMO COC(=O)CC(C)(C)[N@@H+](C)Cc1ccc(Cl)cc1[N+](=O)[O-] ZINC001331742209 1178277309 /nfs/dbraw/zinc/27/73/09/1178277309.db2.gz BGVIJXOOLDBGDV-UHFFFAOYSA-N 1 1 314.769 3.022 20 5 DGBDMO O=[N+]([O-])c1cccc(-c2cnn(C[N@H+]3CCC[C@H](CF)C3)c2)c1 ZINC001333310154 1178586486 /nfs/dbraw/zinc/58/64/86/1178586486.db2.gz PHPQAZOQQVRRHS-CYBMUJFWSA-N 1 1 318.352 3.097 20 5 DGBDMO Cc1nn(C[N@H+]2CCC[C@@H](CCF)C2)c2ccc([N+](=O)[O-])cc12 ZINC001347238707 1179786969 /nfs/dbraw/zinc/78/69/69/1179786969.db2.gz RXOPNKHNQFCSEG-ZDUSSCGKSA-N 1 1 320.368 3.282 20 5 DGBDMO C[C@@H]1C[C@@H](Nc2ncc([N+](=O)[O-])c3ccccc32)C[N@H+]1C1CC1 ZINC001349995502 1179994024 /nfs/dbraw/zinc/99/40/24/1179994024.db2.gz QIVRIUXQNOYGCT-VXGBXAGGSA-N 1 1 312.373 3.180 20 5 DGBDMO O=[N+]([O-])c1ccc(C[N@@H+]2CC[C@@H](CF)C2)c(Br)c1 ZINC001352943525 1180428097 /nfs/dbraw/zinc/42/80/97/1180428097.db2.gz ARSIDHAIHOSVJT-VIFPVBQESA-N 1 1 317.158 3.149 20 5 DGBDMO O=[N+]([O-])c1ccc(C[N@H+]2CC[C@@H](CF)C2)c(Br)c1 ZINC001352943525 1180428101 /nfs/dbraw/zinc/42/81/01/1180428101.db2.gz ARSIDHAIHOSVJT-VIFPVBQESA-N 1 1 317.158 3.149 20 5 DGBDMO C/C(=C\c1cccc([N+](=O)[O-])c1)C[N@H+]1CCO[C@@](C)(C2CC2)C1 ZINC001474626147 1181595343 /nfs/dbraw/zinc/59/53/43/1181595343.db2.gz USTMGEWMLMCCKQ-PMXLPMHFSA-N 1 1 316.401 3.499 20 5 DGBDMO CC[N@H+]1CC[C@@H]1CNc1ccc([N+](=O)[O-])c(C(F)(F)F)c1 ZINC001458550168 1182539124 /nfs/dbraw/zinc/53/91/24/1182539124.db2.gz RTLKZFSHBBIEMP-SNVBAGLBSA-N 1 1 303.284 3.120 20 5 DGBDMO CC(C)(CC[N@H+]1CC[C@@H](Nc2ccc([N+](=O)[O-])cn2)C1)C1CC1 ZINC001459702779 1182607042 /nfs/dbraw/zinc/60/70/42/1182607042.db2.gz ZISOZSGWAMPJTC-CQSZACIVSA-N 1 1 318.421 3.302 20 5 DGBDMO C[N@@H+](CCc1cccc([N+](=O)[O-])c1)C[C@@H]1CC[C@@H](C2CC2)O1 ZINC001460004931 1182640144 /nfs/dbraw/zinc/64/01/44/1182640144.db2.gz KXNYSTNBBMUXNE-IRXDYDNUSA-N 1 1 304.390 3.027 20 5 DGBDMO O=[N+]([O-])c1ccc(C[N@@H+]2CC[C@H](c3cnccn3)C2)c(Cl)c1 ZINC001460866221 1182734246 /nfs/dbraw/zinc/73/42/46/1182734246.db2.gz YAPRERSNGBNYFW-LBPRGKRZSA-N 1 1 318.764 3.028 20 5 DGBDMO O=[N+]([O-])c1ccc(C[N@H+]2CC[C@H](c3cnccn3)C2)c(Cl)c1 ZINC001460866221 1182734250 /nfs/dbraw/zinc/73/42/50/1182734250.db2.gz YAPRERSNGBNYFW-LBPRGKRZSA-N 1 1 318.764 3.028 20 5 DGBDMO O=[N+]([O-])c1cc2c(nc1Nc1ccc3[nH+]ccn3c1)CCCC2 ZINC001472837797 1183688857 /nfs/dbraw/zinc/68/88/57/1183688857.db2.gz LDZKSLKWGSYVNO-UHFFFAOYSA-N 1 1 309.329 3.260 20 5 DGBDMO C[C@@H]1[C@H](c2ccccc2)c2ccccc2CC[N@H+]1CC[N+](=O)[O-] ZINC001473286816 1183739542 /nfs/dbraw/zinc/73/95/42/1183739542.db2.gz NUEYNAXXCBSNAO-DNVCBOLYSA-N 1 1 310.397 3.342 20 5 DGBDMO C[C@@H]([NH2+]Cc1ccc([N+](=O)[O-])cc1F)c1cccc([N+](=O)[O-])c1 ZINC001473320393 1183743261 /nfs/dbraw/zinc/74/32/61/1183743261.db2.gz LIYIJYSGZHRFBJ-SNVBAGLBSA-N 1 1 319.292 3.493 20 5 DGBDMO C[C@@H](C(=O)Nc1ccc([N+](=O)[O-])cc1)[N@H+]1CC[C@@H](C)C(C)(C)C1 ZINC001473365344 1183748781 /nfs/dbraw/zinc/74/87/81/1183748781.db2.gz NDXVIMZBEAXSKC-OLZOCXBDSA-N 1 1 319.405 3.290 20 5 DGBDMO COc1ccc(OCC[N@H+]2CCC[C@H](C(C)C)C2)c([N+](=O)[O-])c1 ZINC001473393582 1183751167 /nfs/dbraw/zinc/75/11/67/1183751167.db2.gz WIYUPNLETDPXIW-AWEZNQCLSA-N 1 1 322.405 3.350 20 5 DGBDMO O=[N+]([O-])c1ccc(CC[N@H+]2CC[C@@H](Oc3ccccc3)C2)cc1 ZINC001473658650 1183787018 /nfs/dbraw/zinc/78/70/18/1183787018.db2.gz IQXIYUJWMSXFRE-GOSISDBHSA-N 1 1 312.369 3.291 20 5 DGBDMO Cc1ccc2[nH]c(C[NH2+]Cc3cccc([N+](=O)[O-])c3C)nc2c1 ZINC001474031900 1183855446 /nfs/dbraw/zinc/85/54/46/1183855446.db2.gz ADRXOSYBMVDKHB-UHFFFAOYSA-N 1 1 310.357 3.378 20 5 DGBDMO Cc1ccc2nc(C[NH2+]Cc3cccc([N+](=O)[O-])c3C)[nH]c2c1 ZINC001474031900 1183855448 /nfs/dbraw/zinc/85/54/48/1183855448.db2.gz ADRXOSYBMVDKHB-UHFFFAOYSA-N 1 1 310.357 3.378 20 5 DGBDMO Cc1ccc([N+](=O)[O-])c(C)c1C[N@@H+](C)C[C@@H]1CCCC[C@@H]1O ZINC001474391312 1183914722 /nfs/dbraw/zinc/91/47/22/1183914722.db2.gz LOKGLCSWXMUIEB-YOEHRIQHSA-N 1 1 306.406 3.195 20 5 DGBDMO C[N@@H+](CCc1ccccc1[N+](=O)[O-])Cc1cc2cnccc2o1 ZINC001474516611 1183933798 /nfs/dbraw/zinc/93/37/98/1183933798.db2.gz JTXLDHIANIUMRV-UHFFFAOYSA-N 1 1 311.341 3.411 20 5 DGBDMO Cc1ccc([N+](=O)[O-])c(C)c1C[N@H+]1CCC[C@H](C(C)(C)O)C1 ZINC001474697721 1183963451 /nfs/dbraw/zinc/96/34/51/1183963451.db2.gz CPNXBEVFLFXQLY-AWEZNQCLSA-N 1 1 306.406 3.195 20 5 DGBDMO C[N@@H+](CCc1cccc([N+](=O)[O-])c1)C[C@@H]1CC2(CCC2)CO1 ZINC001617465855 1193570207 /nfs/dbraw/zinc/57/02/07/1193570207.db2.gz VAOXBZHQIBBORK-INIZCTEOSA-N 1 1 304.390 3.028 20 5 DGBDMO CC(C)[N@@H+](C)C[C@H](C)Nc1ncc([N+](=O)[O-])c2ccccc21 ZINC001559204708 1189180364 /nfs/dbraw/zinc/18/03/64/1189180364.db2.gz QYGPZEMJLWZURE-LBPRGKRZSA-N 1 1 302.378 3.284 20 5 DGBDMO C[N@H+]1CCCC[C@@H]1CNc1nc2ccccc2cc1[N+](=O)[O-] ZINC001559295950 1189194020 /nfs/dbraw/zinc/19/40/20/1189194020.db2.gz VIRPQNCXLGXPHJ-CYBMUJFWSA-N 1 1 300.362 3.039 20 5 DGBDMO CC[C@@H]1CC[N@@H+](CCOc2ccc(OC)cc2[N+](=O)[O-])[C@H]1C ZINC001559768091 1189240558 /nfs/dbraw/zinc/24/05/58/1189240558.db2.gz CMZOMNMGHMMXEQ-QWHCGFSZSA-N 1 1 308.378 3.103 20 5 DGBDMO O=[N+]([O-])c1cccc(F)c1C[N@@H+]1CCCC[C@H]1[C@H]1CCCO1 ZINC001560224226 1189294085 /nfs/dbraw/zinc/29/40/85/1189294085.db2.gz ROGKARMLDIMFAF-JKSUJKDBSA-N 1 1 308.353 3.267 20 5 DGBDMO O=[N+]([O-])c1cccc(F)c1C[N@H+]1CCCC[C@H]1[C@H]1CCCO1 ZINC001560224226 1189294086 /nfs/dbraw/zinc/29/40/86/1189294086.db2.gz ROGKARMLDIMFAF-JKSUJKDBSA-N 1 1 308.353 3.267 20 5 DGBDMO O=[N+]([O-])c1ccc(C[N@@H+]2CCCC[C@]23CCOC3)c(Cl)c1 ZINC001560232647 1189295318 /nfs/dbraw/zinc/29/53/18/1189295318.db2.gz CKWUFYVKLFRWQU-OAHLLOKOSA-N 1 1 310.781 3.393 20 5 DGBDMO O=[N+]([O-])c1ccc(C[N@H+]2CCCC[C@]23CCOC3)c(Cl)c1 ZINC001560232647 1189295323 /nfs/dbraw/zinc/29/53/23/1189295323.db2.gz CKWUFYVKLFRWQU-OAHLLOKOSA-N 1 1 310.781 3.393 20 5 DGBDMO CC(C)COCC[N@H+]1CCC[C@@H](c2ccc([N+](=O)[O-])cc2)C1 ZINC001618029116 1193722342 /nfs/dbraw/zinc/72/23/42/1193722342.db2.gz YYHNMEFZYHAQSZ-MRXNPFEDSA-N 1 1 306.406 3.447 20 5 DGBDMO CCC[C@@H]1CCC[N@H+]1CCC(=O)Nc1cc([N+](=O)[O-])ccc1C ZINC001620643984 1193786267 /nfs/dbraw/zinc/78/62/67/1193786267.db2.gz VFGCUCKFELAGGY-CQSZACIVSA-N 1 1 319.405 3.496 20 5 DGBDMO COc1ccc([N+](=O)[O-])cc1C[N@H+]1CCCC[C@H]1[C@@H]1CCCO1 ZINC001620669711 1193789571 /nfs/dbraw/zinc/78/95/71/1193789571.db2.gz YECGLULGISIUOH-RDJZCZTQSA-N 1 1 320.389 3.137 20 5 DGBDMO CCC[N@@H+](CC)C[C@H](C)NC(=O)Nc1cc(C)cc([N+](=O)[O-])c1 ZINC001628176998 1194165201 /nfs/dbraw/zinc/16/52/01/1194165201.db2.gz AXMHPIYGCFSKOM-ZDUSSCGKSA-N 1 1 322.409 3.145 20 5 DGBDMO CC(C)[NH+]1CC(NC(=O)c2cc3ccccc3c3cccnc23)C1 ZINC001633250108 1194428711 /nfs/dbraw/zinc/42/87/11/1194428711.db2.gz HZHINYCMNVDPQL-UHFFFAOYSA-N 1 1 319.408 3.210 20 5 DGBDMO CC[C@H](NC(=O)C[N@@H+](C)CC(C)(C)C)c1cccc([N+](=O)[O-])c1 ZINC001637600620 1194677496 /nfs/dbraw/zinc/67/74/96/1194677496.db2.gz IPGACNDQKJHKOI-HNNXBMFYSA-N 1 1 321.421 3.140 20 5 DGBDMO Cc1ccc([N+](=O)[O-])c(NCC[N@H+]2CCc3ccccc3C2)c1 ZINC001639249430 1194757424 /nfs/dbraw/zinc/75/74/24/1194757424.db2.gz JYXKGAODLAXPQF-UHFFFAOYSA-N 1 1 311.385 3.373 20 5 DGBDMO CCC[N@@H+](CC)C[C@@H](C)Nc1ccc([N+](=O)[O-])c(OC(C)C)n1 ZINC001639982698 1194789854 /nfs/dbraw/zinc/78/98/54/1194789854.db2.gz LHOWBBBTDJSLPZ-CYBMUJFWSA-N 1 1 324.425 3.309 20 5 DGBDMO CC(C)(C)[N@H+]1CC[C@@H]1CNc1nc2ccc([N+](=O)[O-])cc2s1 ZINC001640149717 1194798813 /nfs/dbraw/zinc/79/88/13/1194798813.db2.gz OZGQBLBUHQERQZ-LLVKDONJSA-N 1 1 320.418 3.489 20 5 DGBDMO CC(C)(C)[C@@H]1CCC[N@H+]1CCC(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC001641921856 1194879660 /nfs/dbraw/zinc/87/96/60/1194879660.db2.gz WRRHEDFPDYPKJU-HNNXBMFYSA-N 1 1 319.405 3.434 20 5 DGBDMO CN(C[C@@H]1CCC[N@H+]1C)c1c(Cl)c(Cl)ccc1[N+](=O)[O-] ZINC001642829662 1194944291 /nfs/dbraw/zinc/94/42/91/1194944291.db2.gz FMXRTZXLIAHPAO-VIFPVBQESA-N 1 1 318.204 3.432 20 5 DGBDMO CCC[C@@]1(COC)CCC[N@H+]1CCOc1cccc([N+](=O)[O-])c1 ZINC001642897761 1194952142 /nfs/dbraw/zinc/95/21/42/1194952142.db2.gz QWUQIDCYRXSBMH-KRWDZBQOSA-N 1 1 322.405 3.255 20 5 DGBDMO C[N@@H+](CCc1ccccc1[N+](=O)[O-])CC1(O)CCCCCC1 ZINC001643056240 1194963816 /nfs/dbraw/zinc/96/38/16/1194963816.db2.gz BBUWHDLMUGPLRP-UHFFFAOYSA-N 1 1 306.406 3.154 20 5 DGBDMO Cc1ncc([N+](=O)[O-])n1CC[N@H+](C)[C@@H](C)c1ccc(C)cc1C ZINC001644394369 1195105390 /nfs/dbraw/zinc/10/53/90/1195105390.db2.gz AFKJIEFUOUOWLC-AWEZNQCLSA-N 1 1 316.405 3.410 20 5 DGBDMO CO[C@]1(C)C[C@@H]([N@@H+](C)CCOc2ccccc2[N+](=O)[O-])C1(C)C ZINC001644692142 1195127489 /nfs/dbraw/zinc/12/74/89/1195127489.db2.gz ZFEMVRAXJDTSDE-NVXWUHKLSA-N 1 1 322.405 3.109 20 5 DGBDMO C[C@@H]1COC2(CCCC2)C[N@H+]1CCOc1ccc([N+](=O)[O-])cc1 ZINC001647854582 1195259537 /nfs/dbraw/zinc/25/95/37/1195259537.db2.gz NWYBKFKGLYRTOS-CQSZACIVSA-N 1 1 320.389 3.007 20 5 DGBDMO C[N@H+]1C[C@@H](CNc2ccsc2[N+](=O)[O-])[C@H](c2ccccc2)C1 ZINC001651177551 1195423378 /nfs/dbraw/zinc/42/33/78/1195423378.db2.gz WJAACPKUTXFFKC-KGLIPLIRSA-N 1 1 317.414 3.414 20 5 DGBDMO Cc1cc(N[C@H]2CCC[N@H+]3CCCC[C@@H]23)c(F)cc1[N+](=O)[O-] ZINC001651993359 1195533893 /nfs/dbraw/zinc/53/38/93/1195533893.db2.gz QCAAPMTWSCSFQC-ZFWWWQNUSA-N 1 1 307.369 3.471 20 5 DGBDMO Cc1ccc([N+](=O)[O-])c(NC[C@H]2CCC[N@@H+](CC3CC3)C2)c1 ZINC001652085212 1195545567 /nfs/dbraw/zinc/54/55/67/1195545567.db2.gz JHLJNVGBGKFLBY-OAHLLOKOSA-N 1 1 303.406 3.437 20 5 DGBDMO Cc1ncc([N+](=O)[O-])n1CC[N@@H+]1CC[C@@H](C(C)(C)C)C[C@@H]1C ZINC001653769922 1195749051 /nfs/dbraw/zinc/74/90/51/1195749051.db2.gz QRPGKRLDDJNXRN-GXTWGEPZSA-N 1 1 308.426 3.246 20 5 DGBDMO COc1nscc1C[NH2+][C@@H](C)c1ccc(C)c([N+](=O)[O-])c1 ZINC001653908072 1195758884 /nfs/dbraw/zinc/75/88/84/1195758884.db2.gz YVDLOFZWZXMHLP-JTQLQIEISA-N 1 1 307.375 3.219 20 5 DGBDMO O=[N+]([O-])c1cc(Cl)ccc1C[N@@H+]1CC[C@@H](c2cnccn2)C1 ZINC001654915185 1195854678 /nfs/dbraw/zinc/85/46/78/1195854678.db2.gz IQJMSNNSBBFZAD-LLVKDONJSA-N 1 1 318.764 3.028 20 5 DGBDMO O=[N+]([O-])c1cc(Cl)ccc1C[N@H+]1CC[C@@H](c2cnccn2)C1 ZINC001654915185 1195854679 /nfs/dbraw/zinc/85/46/79/1195854679.db2.gz IQJMSNNSBBFZAD-LLVKDONJSA-N 1 1 318.764 3.028 20 5 DGBDMO CCC(=O)c1ccc(N2C[C@@H](C)[N@H+](CC)[C@@H](C)C2)c([N+](=O)[O-])c1 ZINC001655801470 1195964421 /nfs/dbraw/zinc/96/44/21/1195964421.db2.gz FVNOUNUMKOLYPG-BETUJISGSA-N 1 1 319.405 3.106 20 5 DGBDMO CCC(=O)c1ccc(N2C[C@@H](C)[N@@H+](CC)[C@@H](C)C2)c([N+](=O)[O-])c1 ZINC001655801470 1195964423 /nfs/dbraw/zinc/96/44/23/1195964423.db2.gz FVNOUNUMKOLYPG-BETUJISGSA-N 1 1 319.405 3.106 20 5 DGBDMO O=[N+]([O-])c1cccc(OCC[N@H+]2CCCSC[C@H]2C2CC2)c1 ZINC001656314705 1196028927 /nfs/dbraw/zinc/02/89/27/1196028927.db2.gz FPUHASJYIZBMDP-INIZCTEOSA-N 1 1 322.430 3.191 20 5 DGBDMO COc1ccc([N+](=O)[O-])cc1C[N@H+]1CCCSC[C@@H]1C1CC1 ZINC001656314964 1196029074 /nfs/dbraw/zinc/02/90/74/1196029074.db2.gz HSTBJDZBLMRCSP-OAHLLOKOSA-N 1 1 322.430 3.321 20 5 DGBDMO Cn1cc(C[N@H+](C)Cc2cccc3ccccc32)c([N+](=O)[O-])n1 ZINC001656992943 1196090476 /nfs/dbraw/zinc/09/04/76/1196090476.db2.gz PLZPOTSLKSWUHM-UHFFFAOYSA-N 1 1 310.357 3.114 20 5 DGBDMO Cn1cc(C[N@@H+](C)Cc2cccc3ccccc32)c([N+](=O)[O-])n1 ZINC001656992943 1196090478 /nfs/dbraw/zinc/09/04/78/1196090478.db2.gz PLZPOTSLKSWUHM-UHFFFAOYSA-N 1 1 310.357 3.114 20 5 DGBDMO COC(=O)c1coc(C[NH2+][C@@H](C)c2ccc(C)c([N+](=O)[O-])c2)c1 ZINC001657961644 1196197143 /nfs/dbraw/zinc/19/71/43/1196197143.db2.gz WTMTYXGNUYOTDZ-NSHDSACASA-N 1 1 318.329 3.134 20 5 DGBDMO CC[C@H]1CC[N@@H+](CCC(=O)Nc2cccc([N+](=O)[O-])c2C)[C@@H]1C ZINC001658341371 1196244736 /nfs/dbraw/zinc/24/47/36/1196244736.db2.gz RLBBGMYMJXPVQY-KGLIPLIRSA-N 1 1 319.405 3.352 20 5 DGBDMO C[N@@H+](CCc1ccccc1[N+](=O)[O-])Cc1cccc2n[nH]cc21 ZINC001659187937 1196357585 /nfs/dbraw/zinc/35/75/85/1196357585.db2.gz UWXAMUIAIUZMLZ-UHFFFAOYSA-N 1 1 310.357 3.146 20 5 DGBDMO O=[N+]([O-])c1ccc(Cl)c(C[N@@H+]2CC[C@H](O)[C@@H]3CCCC[C@@H]32)c1 ZINC001659889652 1196425857 /nfs/dbraw/zinc/42/58/57/1196425857.db2.gz QYGLQUDTZBWLFH-KBMXLJTQSA-N 1 1 324.808 3.374 20 5 DGBDMO C[C@H]1CN(Cc2ccc([N+](=O)[O-])c(F)c2)CC[N@H+]1C1CCCC1 ZINC001660164715 1196453807 /nfs/dbraw/zinc/45/38/07/1196453807.db2.gz AUJLBZPUKBDXDK-ZDUSSCGKSA-N 1 1 321.396 3.183 20 5 DGBDMO O=[N+]([O-])c1cc(Cl)ccc1CNC[C@H]1CC[N@H+]1C1CCCC1 ZINC001660449341 1196485645 /nfs/dbraw/zinc/48/56/45/1196485645.db2.gz JQGRNTFJQPBMHE-OAHLLOKOSA-N 1 1 323.824 3.355 20 5 DGBDMO O=[N+]([O-])c1cc(Cl)ccc1C[NH2+]C[C@H]1CCN1C1CCCC1 ZINC001660449341 1196485648 /nfs/dbraw/zinc/48/56/48/1196485648.db2.gz JQGRNTFJQPBMHE-OAHLLOKOSA-N 1 1 323.824 3.355 20 5 DGBDMO CCOc1cc(C[N@H+]2CCCSC[C@@H]2C)ccc1[N+](=O)[O-] ZINC001660542126 1196495420 /nfs/dbraw/zinc/49/54/20/1196495420.db2.gz GWQZVJZVJSJAMW-LBPRGKRZSA-N 1 1 310.419 3.321 20 5 DGBDMO CC(C)(C)[C@H]1CC[N@@H+](CCOc2ccccc2[N+](=O)[O-])CCO1 ZINC001660682732 1196511987 /nfs/dbraw/zinc/51/19/87/1196511987.db2.gz HZYAELMLNCLGEI-MRXNPFEDSA-N 1 1 322.405 3.111 20 5 DGBDMO O=[N+]([O-])c1cccc(F)c1C[N@@H+]1CCCC[C@]12CCCOC2 ZINC001660701718 1196514591 /nfs/dbraw/zinc/51/45/91/1196514591.db2.gz WYYSLDLVHAQCRM-MRXNPFEDSA-N 1 1 308.353 3.269 20 5 DGBDMO O=[N+]([O-])c1cccc(F)c1C[N@H+]1CCCC[C@]12CCCOC2 ZINC001660701718 1196514593 /nfs/dbraw/zinc/51/45/93/1196514593.db2.gz WYYSLDLVHAQCRM-MRXNPFEDSA-N 1 1 308.353 3.269 20 5 DGBDMO C[C@@H]1C[N@@H+](C)[C@@H](C)CN1c1ccc2ccc3cccnc3c2n1 ZINC001164639306 719174112 /nfs/dbraw/zinc/17/41/12/719174112.db2.gz RMAVXRKXBGVJJI-UONOGXRCSA-N 1 1 306.413 3.312 20 5 DGBDMO C[N@@H+]1CCOC[C@@H]1CNc1nc2ccccc2c2ccccc21 ZINC001169659395 1081621842 /nfs/dbraw/zinc/62/18/42/1081621842.db2.gz FCILCWSKZVWRMM-AWEZNQCLSA-N 1 1 307.397 3.131 20 5 DGBDMO C[N@H+]1CCOC[C@@H]1CNc1nc2ccccc2c2ccccc21 ZINC001169659395 1081621844 /nfs/dbraw/zinc/62/18/44/1081621844.db2.gz FCILCWSKZVWRMM-AWEZNQCLSA-N 1 1 307.397 3.131 20 5 DGBDMO COc1ccc(C[C@@H](C)[N@@H+](C)Cc2ccccn2)c([N+](=O)[O-])c1 ZINC001170329927 1082347593 /nfs/dbraw/zinc/34/75/93/1082347593.db2.gz WYEPPPJEYIBZMP-CYBMUJFWSA-N 1 1 315.373 3.061 20 5 DGBDMO CC1(C)CCC[C@@H](C[N@H+]2CCc3ccc([N+](=O)[O-])cc3C2)O1 ZINC001167647289 1082640808 /nfs/dbraw/zinc/64/08/08/1082640808.db2.gz LPANXFOTDLZOHG-INIZCTEOSA-N 1 1 304.390 3.301 20 5 DGBDMO Cc1cc(NC(=O)[C@@H]2CCC[N@H+]2C2CCCC2)cc([N+](=O)[O-])c1 ZINC001181022532 1083387308 /nfs/dbraw/zinc/38/73/08/1083387308.db2.gz XIAVDXORNRSXNQ-INIZCTEOSA-N 1 1 317.389 3.249 20 5 DGBDMO COc1cc(F)cc(C[N@@H+](C)CCc2cccc([N+](=O)[O-])c2)c1 ZINC001181153501 1083421861 /nfs/dbraw/zinc/42/18/61/1083421861.db2.gz DHBCPERCKURMOW-UHFFFAOYSA-N 1 1 318.348 3.417 20 5 DGBDMO Cc1c(F)cnc(NCCC[N@@H+]2CCCC[C@H]2C)c1[N+](=O)[O-] ZINC001167750695 1083621262 /nfs/dbraw/zinc/62/12/62/1083621262.db2.gz BXYQRMKIOJNKKE-LLVKDONJSA-N 1 1 310.373 3.114 20 5 DGBDMO C[C@@H]1CCCC[N@H+]1CCCNc1cnc(Cl)cc1[N+](=O)[O-] ZINC001167751513 1083624964 /nfs/dbraw/zinc/62/49/64/1083624964.db2.gz JGNAPZLCBKENMQ-LLVKDONJSA-N 1 1 312.801 3.320 20 5 DGBDMO Cc1[nH+]c(N)ccc1CNc1cc(Cl)ccc1/C=C/[N+](=O)[O-] ZINC001167786940 1083950224 /nfs/dbraw/zinc/95/02/24/1083950224.db2.gz LBHDGXMRTNVTBW-VOTSOKGWSA-N 1 1 318.764 3.485 20 5 DGBDMO CN(C[C@H]1CCC[N@H+]1C)c1ccc(C(F)(F)F)cc1[N+](=O)[O-] ZINC001186763705 1084696968 /nfs/dbraw/zinc/69/69/68/1084696968.db2.gz HXFKTPMATBPTPX-LLVKDONJSA-N 1 1 317.311 3.144 20 5 DGBDMO CC[N@H+]1CC[C@H]1CNc1cc(C)c(C(F)(F)F)cc1[N+](=O)[O-] ZINC001187423834 1084799268 /nfs/dbraw/zinc/79/92/68/1084799268.db2.gz XIFZZDFRMWXECZ-JTQLQIEISA-N 1 1 317.311 3.428 20 5 DGBDMO CC(C)[NH+]1CC(Nc2cc(C(F)(F)F)ccc2[N+](=O)[O-])C1 ZINC001168315111 1087291866 /nfs/dbraw/zinc/29/18/66/1087291866.db2.gz FSOVNTUNLVWVBX-UHFFFAOYSA-N 1 1 303.284 3.118 20 5 DGBDMO O=[N+]([O-])c1cccc(C[N@@H+]2CC[C@H]3C[C@H]3C2)c1Br ZINC000699211111 1087897587 /nfs/dbraw/zinc/89/75/87/1087897587.db2.gz XRVJXDYFLNMEHS-ONGXEEELSA-N 1 1 311.179 3.199 20 5 DGBDMO O=[N+]([O-])c1cccc(C[N@H+]2CC[C@H]3C[C@H]3C2)c1Br ZINC000699211111 1087897612 /nfs/dbraw/zinc/89/76/12/1087897612.db2.gz XRVJXDYFLNMEHS-ONGXEEELSA-N 1 1 311.179 3.199 20 5 DGBDMO CC[N@H+]1CCN(c2ccc3c(cccc3[N+](=O)[O-])n2)C(C)(C)C1 ZINC001158562910 1087913145 /nfs/dbraw/zinc/91/31/45/1087913145.db2.gz MPQGSLHODYPETQ-UHFFFAOYSA-N 1 1 314.389 3.064 20 5 DGBDMO Cc1[nH+]ccn1CCNc1ccc([N+](=O)[O-])c(-c2ccccc2)n1 ZINC001156009336 1089342387 /nfs/dbraw/zinc/34/23/87/1089342387.db2.gz LAIQZNKEMAAHNK-UHFFFAOYSA-N 1 1 323.356 3.274 20 5 DGBDMO Cc1c(C)c(NCCC[N@@H+]2CCCC[C@@H]2C)ncc1[N+](=O)[O-] ZINC001156929793 1089754546 /nfs/dbraw/zinc/75/45/46/1089754546.db2.gz ZRFQGJGUGBLOEM-LBPRGKRZSA-N 1 1 306.410 3.283 20 5 DGBDMO CC(C)[N@@H+](C)[C@H]1CCN(c2ccc3c(cccc3[N+](=O)[O-])n2)C1 ZINC001157011359 1089786368 /nfs/dbraw/zinc/78/63/68/1089786368.db2.gz ZNNXMUYWFDDHRV-ZDUSSCGKSA-N 1 1 314.389 3.062 20 5 DGBDMO CC(C)[N@@H+](C)[C@@H]1CCN(c2nccc3cc([N+](=O)[O-])ccc32)C1 ZINC001157022113 1089788267 /nfs/dbraw/zinc/78/82/67/1089788267.db2.gz USWPJWJJFACQHN-OAHLLOKOSA-N 1 1 314.389 3.062 20 5 DGBDMO CC(C)[NH+]1CC(Nc2nc3ccccc3c(Cl)c2[N+](=O)[O-])C1 ZINC001157526734 1090007101 /nfs/dbraw/zinc/00/71/01/1090007101.db2.gz YYTVYEMFVMNIER-UHFFFAOYSA-N 1 1 320.780 3.301 20 5 DGBDMO CC(C)[N@H+]1CC[C@H](Nc2ccc3[nH]cc([N+](=O)[O-])c3n2)[C@@H](C)C1 ZINC001163365448 1090164797 /nfs/dbraw/zinc/16/47/97/1090164797.db2.gz JBWDQPAOBAXTHG-RYUDHWBXSA-N 1 1 317.393 3.002 20 5 DGBDMO C[C@@H]1CCC[C@H](C)N1c1cc(/C=C/[NH+](C)C)c([N+](=O)[O-])cn1 ZINC001163546073 1090206856 /nfs/dbraw/zinc/20/68/56/1090206856.db2.gz NCELNGKXKNMGHV-UVHIWXSVSA-N 1 1 304.394 3.289 20 5 DGBDMO Cc1[nH]c(CNc2nc3ccc([N+](=O)[O-])cc3s2)c(C)[nH+]1 ZINC001164181817 1090365871 /nfs/dbraw/zinc/36/58/71/1090365871.db2.gz JFLQMIJBHSQWME-UHFFFAOYSA-N 1 1 303.347 3.157 20 5 DGBDMO CC(C)N(CC1CC1)c1cc(/C=C/[NH+](C)C)c([N+](=O)[O-])cn1 ZINC001166620233 1090630577 /nfs/dbraw/zinc/63/05/77/1090630577.db2.gz VJSXLHWBTVWUPW-BQYQJAHWSA-N 1 1 304.394 3.147 20 5 DGBDMO C[N@H+](Cc1c2ccccc2cc2ccccc21)C[C@H]1CNCCO1 ZINC001205377586 1091206299 /nfs/dbraw/zinc/20/62/99/1091206299.db2.gz ZHAHDFUKHPZNDA-GOSISDBHSA-N 1 1 320.436 3.413 20 5 DGBDMO CCC[N@@H+](CC)C[C@@H](C)NC(=O)c1c(C)ccc([N+](=O)[O-])c1C ZINC001298705850 1092094202 /nfs/dbraw/zinc/09/42/02/1092094202.db2.gz KVNHYRUNDHGEQM-CYBMUJFWSA-N 1 1 321.421 3.062 20 5 DGBDMO COc1cccc(CCC[N@@H+](C)[C@H]2CC[C@@H](C[N+](=O)[O-])C2)c1 ZINC001169038802 1092501502 /nfs/dbraw/zinc/50/15/02/1092501502.db2.gz KNTPWFNOUGMTDC-CVEARBPZSA-N 1 1 306.406 3.005 20 5 DGBDMO CCC[C@H](C(=O)c1ccccc1)[N@@H+](C)[C@H]1CC[C@H](C[N+](=O)[O-])C1 ZINC001169049166 1092509199 /nfs/dbraw/zinc/50/91/99/1092509199.db2.gz WHQWQHNCQGPNKY-BHYGNILZSA-N 1 1 318.417 3.415 20 5 DGBDMO O=[N+]([O-])C[C@@H]1CC[C@H]([N@H+]2CCC[C@@H]2Cc2ccc(F)cc2)C1 ZINC001169056919 1092513042 /nfs/dbraw/zinc/51/30/42/1092513042.db2.gz UEICZSJAUCZXBS-OIISXLGYSA-N 1 1 306.381 3.278 20 5 DGBDMO Cc1cc(NC(=O)[C@]2(F)CC[N@H+](C(C)(C)C)C2)cc([N+](=O)[O-])c1 ZINC001135146315 1094420923 /nfs/dbraw/zinc/42/09/23/1094420923.db2.gz LPDUFYVQOQQKPX-INIZCTEOSA-N 1 1 323.368 3.054 20 5 DGBDMO Cc1[nH+]ccn1CCNc1ccc(C(F)(F)F)c([N+](=O)[O-])c1 ZINC001120868432 1094544533 /nfs/dbraw/zinc/54/45/33/1094544533.db2.gz GZDWYXMOHIXMCP-UHFFFAOYSA-N 1 1 314.267 3.231 20 5 DGBDMO CC(C)C1(O)CCN(c2cc[nH+]c3ccc([N+](=O)[O-])cc32)CC1 ZINC001336888453 1094772985 /nfs/dbraw/zinc/77/29/85/1094772985.db2.gz WEQFAHPUEUKXIL-UHFFFAOYSA-N 1 1 315.373 3.130 20 5 DGBDMO C[C@H]1C[C@@H](Nc2ncc([N+](=O)[O-])c3ccccc32)CC[N@H+]1C ZINC001337340970 1094938846 /nfs/dbraw/zinc/93/88/46/1094938846.db2.gz ZGRWICNJBKQSLG-RYUDHWBXSA-N 1 1 300.362 3.038 20 5 DGBDMO CC1(C)C[NH2+]Cc2cc(Nc3ccc(O)c([N+](=O)[O-])c3)ccc21 ZINC001160285670 1095155988 /nfs/dbraw/zinc/15/59/88/1095155988.db2.gz YMEHEFAJEBBICY-UHFFFAOYSA-N 1 1 313.357 3.425 20 5 DGBDMO O=[N+]([O-])c1ccc2ccc(N[C@H]3CC[N@H+](C4CCC4)C3)nc2c1 ZINC001161177811 1095744515 /nfs/dbraw/zinc/74/45/15/1095744515.db2.gz UUYQFSRNRGKBRW-ZDUSSCGKSA-N 1 1 312.373 3.182 20 5 DGBDMO C/C(=C\c1cccc([N+](=O)[O-])c1)C[N@@H+]1CC[C@@](CO)(C(C)C)C1 ZINC001117682169 1095798767 /nfs/dbraw/zinc/79/87/67/1095798767.db2.gz DAEKNQXIPVPURH-IKFRKZOMSA-N 1 1 318.417 3.339 20 5 DGBDMO Cc1cc([N+](=O)[O-])ccc1N1CCC(c2c[nH+]cn2C)CC1 ZINC001340028568 1095822441 /nfs/dbraw/zinc/82/24/41/1095822441.db2.gz YVQCFAYFPAZQDQ-UHFFFAOYSA-N 1 1 300.362 3.021 20 5 DGBDMO CCCC1CC[NH+](CC(=O)Nc2ccccc2[N+](=O)[O-])CC1 ZINC001340809809 1096039981 /nfs/dbraw/zinc/03/99/81/1096039981.db2.gz RCLYDPNCYNDFQC-UHFFFAOYSA-N 1 1 305.378 3.045 20 5 DGBDMO C[C@H](O[C@@H]1[C@@H]2CCC[C@H]1C[N@H+](C)C2)c1ccc([N+](=O)[O-])cc1 ZINC001224023814 1096117809 /nfs/dbraw/zinc/11/78/09/1096117809.db2.gz ZXRQRZHZKWCONP-FAYQHZLMSA-N 1 1 304.390 3.403 20 5 DGBDMO O=[N+]([O-])c1ccc(O[C@H]2CCC[N@@H+](Cc3ccccc3)C2)nc1 ZINC001225627907 1096487564 /nfs/dbraw/zinc/48/75/64/1096487564.db2.gz JYXUEUDJOCDYAY-INIZCTEOSA-N 1 1 313.357 3.033 20 5 DGBDMO CC(C)[N@H+]1CC[C@@H](Oc2cc([N+](=O)[O-])c(F)cc2Cl)C1 ZINC001226195548 1096634884 /nfs/dbraw/zinc/63/48/84/1096634884.db2.gz LIBSDNJDZDGION-SECBINFHSA-N 1 1 302.733 3.249 20 5 DGBDMO CC(C)(C)c1ccc(O[C@@H]2CCc3[nH+]ccn3C2)c([N+](=O)[O-])c1 ZINC001226445651 1096691498 /nfs/dbraw/zinc/69/14/98/1096691498.db2.gz FIXTZSGOPMLBBW-CYBMUJFWSA-N 1 1 315.373 3.483 20 5 DGBDMO COc1ccc([N+](=O)[O-])c(O[C@H]2C[C@H]3CC[C@@H](C2)[N@@H+]3C(C)C)c1 ZINC001226448342 1096692715 /nfs/dbraw/zinc/69/27/15/1096692715.db2.gz WQBQIEJKHQUZLP-NHAGDIPZSA-N 1 1 320.389 3.386 20 5 DGBDMO CC[N@H+]1CCC[C@H](Oc2ccc(C(F)(F)F)c([N+](=O)[O-])c2)C1 ZINC001226968315 1096831647 /nfs/dbraw/zinc/83/16/47/1096831647.db2.gz GIDPGTYSKDIKQW-NSHDSACASA-N 1 1 318.295 3.477 20 5 DGBDMO COc1cc([N+](=O)[O-])ccc1O[C@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2C(C)C ZINC001227185801 1096887741 /nfs/dbraw/zinc/88/77/41/1096887741.db2.gz YYNOGRBNAJCDDM-NHAGDIPZSA-N 1 1 320.389 3.386 20 5 DGBDMO O=[N+]([O-])c1cc(Cl)c(O[C@@H]2C[NH+]3CCC2CC3)cc1Cl ZINC001228153004 1097063541 /nfs/dbraw/zinc/06/35/41/1097063541.db2.gz XNEAUCCNPOHFJE-CYBMUJFWSA-N 1 1 317.172 3.375 20 5 DGBDMO C[N@@H+]1[C@@H]2CC[C@H]1C[C@H](Oc1nc3ccc([N+](=O)[O-])cc3s1)C2 ZINC001228208941 1097073817 /nfs/dbraw/zinc/07/38/17/1097073817.db2.gz HWMVYBPDJUAQTC-PEGIJTEDSA-N 1 1 319.386 3.209 20 5 DGBDMO C[N@@H+]1C[C@H]2CCC[C@@H](C1)[C@H]2Oc1ccc([N+](=O)[O-])c(Cl)c1 ZINC001228758609 1097183967 /nfs/dbraw/zinc/18/39/67/1097183967.db2.gz GXZDRIOVILCGJJ-HBYGRHMLSA-N 1 1 310.781 3.357 20 5 DGBDMO O=[N+]([O-])c1ccc2c(c1)CC[C@H]([N@H+]1CC[C@]3(CCCO3)C1)CC2 ZINC001172906885 1097269163 /nfs/dbraw/zinc/26/91/63/1097269163.db2.gz ZEKXDYSPXUPKPP-SJLPKXTDSA-N 1 1 316.401 3.097 20 5 DGBDMO CC1(C)C[N@H+]([C@@H]2CCc3ccc([N+](=O)[O-])cc3CC2)CCCO1 ZINC001172914804 1097279307 /nfs/dbraw/zinc/27/93/07/1097279307.db2.gz JBLORMOGIRHWEK-MRXNPFEDSA-N 1 1 318.417 3.343 20 5 DGBDMO O=[N+]([O-])c1ccc2c(c1)CC[C@H]([N@H+]1CCc3occc3C1)CC2 ZINC001172918893 1097280106 /nfs/dbraw/zinc/28/01/06/1097280106.db2.gz CWBZLUYKZPHNHQ-MRXNPFEDSA-N 1 1 312.369 3.494 20 5 DGBDMO CC(C)O[C@H]1CC[N@H+]([C@@H]2CCc3ccc([N+](=O)[O-])cc3CC2)C1 ZINC001172920110 1097280683 /nfs/dbraw/zinc/28/06/83/1097280683.db2.gz IKNWHYQPVNUKHL-AEFFLSMTSA-N 1 1 318.417 3.342 20 5 DGBDMO O=[N+]([O-])c1ccc2c(c1)CC[C@@H]([N@H+]1C[C@@H]3C[C@H]1C[C@@H]3F)CC2 ZINC001172922180 1097281970 /nfs/dbraw/zinc/28/19/70/1097281970.db2.gz WTTNUHRLIPQGIF-OTRWWLKZSA-N 1 1 304.365 3.275 20 5 DGBDMO O=[N+]([O-])c1ccc2c(c1)CC[C@H]([N@H+]1CCc3cnccc3C1)CC2 ZINC001172909954 1097291472 /nfs/dbraw/zinc/29/14/72/1097291472.db2.gz WASFOUZQRPEXJU-GOSISDBHSA-N 1 1 323.396 3.296 20 5 DGBDMO C[C@@H](Cc1ccc([N+](=O)[O-])cc1)[N@H+]1CCC[C@@](C)(CO)CC1 ZINC001173222759 1097372901 /nfs/dbraw/zinc/37/29/01/1097372901.db2.gz VIHSPUJOALMLFV-WMLDXEAASA-N 1 1 306.406 3.010 20 5 DGBDMO C[C@H](Cc1ccc([N+](=O)[O-])cc1)[N@H+]1CC[C@H](C)[C@](C)(O)CC1 ZINC001173226688 1097374774 /nfs/dbraw/zinc/37/47/74/1097374774.db2.gz NLPSTOZCALWHBR-JJRVBVJISA-N 1 1 306.406 3.009 20 5 DGBDMO CO[C@@H]1CCC[C@@H]2C[N@H+]([C@@H](C)Cc3ccc([N+](=O)[O-])cc3)C[C@@H]21 ZINC001173229979 1097376045 /nfs/dbraw/zinc/37/60/45/1097376045.db2.gz YGDNZAMGWXAAPJ-UNQWWWNPSA-N 1 1 318.417 3.273 20 5 DGBDMO Cc1cc(O[C@@H]2CCc3[nH+]ccn3C2)c([N+](=O)[O-])cc1Cl ZINC001229976338 1097421801 /nfs/dbraw/zinc/42/18/01/1097421801.db2.gz XRUXSEDHKNFWQQ-SNVBAGLBSA-N 1 1 307.737 3.147 20 5 DGBDMO C[N@@H+]1C[C@H]2CCC[C@@H](C1)[C@H]2Oc1cccc(Cl)c1[N+](=O)[O-] ZINC001230913810 1097621014 /nfs/dbraw/zinc/62/10/14/1097621014.db2.gz BPNOOVDOBSNWBQ-HBYGRHMLSA-N 1 1 310.781 3.357 20 5 DGBDMO C[N@@H+]1C[C@H]2CCC[C@@H](C1)[C@@H]2Oc1cccc(Cl)c1[N+](=O)[O-] ZINC001230913812 1097622328 /nfs/dbraw/zinc/62/23/28/1097622328.db2.gz BPNOOVDOBSNWBQ-QHBPRCKVSA-N 1 1 310.781 3.357 20 5 DGBDMO C[C@@H]1C[N@@H+](Cc2ccc3ccc4cccnc4c3n2)CCC[C@@H]1O ZINC001232218707 1097969888 /nfs/dbraw/zinc/96/98/88/1097969888.db2.gz KGCHKCSYLRHEQZ-KDOFPFPSSA-N 1 1 321.424 3.376 20 5 DGBDMO C[C@H]1C[N@@H+](Cc2ccc3ccc4cccnc4c3n2)CCC[C@@H]1O ZINC001232218708 1097970003 /nfs/dbraw/zinc/97/00/03/1097970003.db2.gz KGCHKCSYLRHEQZ-KSSFIOAISA-N 1 1 321.424 3.376 20 5 DGBDMO c1cnc2c(c1)ccc1ccc(C[N@@H+]3CCOC[C@H]3C3CC3)nc12 ZINC001232222397 1097973249 /nfs/dbraw/zinc/97/32/49/1097973249.db2.gz CAUOKUSMSDDQHI-SFHVURJKSA-N 1 1 319.408 3.394 20 5 DGBDMO c1cnc2c(c1)ccc1ccc(C[N@H+]3CCOC[C@H]3C3CC3)nc12 ZINC001232222397 1097973253 /nfs/dbraw/zinc/97/32/53/1097973253.db2.gz CAUOKUSMSDDQHI-SFHVURJKSA-N 1 1 319.408 3.394 20 5 DGBDMO C[C@@H]1C[N@H+](Cc2ccc3ccc4cccnc4c3n2)[C@H](C)CO1 ZINC001232222290 1097973709 /nfs/dbraw/zinc/97/37/09/1097973709.db2.gz AKKZKFSEKOHLPH-ZIAGYGMSSA-N 1 1 307.397 3.392 20 5 DGBDMO C[C@@H]1C[N@@H+](Cc2ccc3ccc4cccnc4c3n2)[C@H](C)CO1 ZINC001232222290 1097973712 /nfs/dbraw/zinc/97/37/12/1097973712.db2.gz AKKZKFSEKOHLPH-ZIAGYGMSSA-N 1 1 307.397 3.392 20 5 DGBDMO Cc1ccc([N+](=O)[O-])cc1NC(=O)C[N@H+](C)C[C@H](C)C(C)(C)C ZINC001175982661 1098218465 /nfs/dbraw/zinc/21/84/65/1098218465.db2.gz IYXCSLJVIVLMAV-ZDUSSCGKSA-N 1 1 321.421 3.456 20 5 DGBDMO NC(=O)[C@]12C[C@H]1CC[N@H+]2Cc1c2ccccc2cc2ccccc21 ZINC001277813696 1098444637 /nfs/dbraw/zinc/44/46/37/1098444637.db2.gz AYHZSBBVNBADHK-IERDGZPVSA-N 1 1 316.404 3.443 20 5 DGBDMO CCCCCC(=O)NCCC[N@@H+](C)Cc1ccc([N+](=O)[O-])cc1 ZINC001233979093 1098471019 /nfs/dbraw/zinc/47/10/19/1098471019.db2.gz XXVVAFORAWQEIH-UHFFFAOYSA-N 1 1 321.421 3.113 20 5 DGBDMO Cc1c(CNCCC[N@@H+]2C[C@H](C)C[C@H](C)C2)cccc1[N+](=O)[O-] ZINC001177294870 1098505678 /nfs/dbraw/zinc/50/56/78/1098505678.db2.gz QHFAIRKDJYALLH-GASCZTMLSA-N 1 1 319.449 3.361 20 5 DGBDMO C[N@H+]1CCC[C@@H](Oc2nccc3c2cccc3[N+](=O)[O-])CC1 ZINC001234674549 1098641820 /nfs/dbraw/zinc/64/18/20/1098641820.db2.gz PFCUWTIFBWYGTF-GFCCVEGCSA-N 1 1 301.346 3.006 20 5 DGBDMO CC(C)n1cc(C[NH2+]Cc2cc([N+](=O)[O-])ccc2Cl)cn1 ZINC001178172182 1098753148 /nfs/dbraw/zinc/75/31/48/1098753148.db2.gz ZLPQYPCPZAQLLO-UHFFFAOYSA-N 1 1 308.769 3.315 20 5 DGBDMO O=[N+]([O-])c1cccc(C[NH2+]Cc2cccc3c2OC(F)(F)O3)c1 ZINC001179248460 1099045925 /nfs/dbraw/zinc/04/59/25/1099045925.db2.gz SDSBJOFCOJITRA-UHFFFAOYSA-N 1 1 322.267 3.206 20 5 DGBDMO Cc1ccc([C@H](C)[NH2+]Cc2cccnc2[N+](=O)[O-])cc1[N+](=O)[O-] ZINC001192626483 1100646451 /nfs/dbraw/zinc/64/64/51/1100646451.db2.gz LRCYCXDCQXIRSF-NSHDSACASA-N 1 1 316.317 3.057 20 5 DGBDMO O=[N+]([O-])CC[NH+]1CCC(F)(c2ccccc2C(F)(F)F)CC1 ZINC001193870592 1100832006 /nfs/dbraw/zinc/83/20/06/1100832006.db2.gz GAQLMVPWPMQRPF-UHFFFAOYSA-N 1 1 320.286 3.243 20 5 DGBDMO CC(C)[N@H+]1CCCC[C@@H]1CN(C)CCc1ccccc1[N+](=O)[O-] ZINC001194263354 1100905902 /nfs/dbraw/zinc/90/59/02/1100905902.db2.gz YBOLPFVHDXVUAK-QGZVFWFLSA-N 1 1 319.449 3.332 20 5 DGBDMO C[N@@H+](CCOc1ccccc1[N+](=O)[O-])C1CC(OC(C)(C)C)C1 ZINC001195269872 1101109112 /nfs/dbraw/zinc/10/91/12/1101109112.db2.gz QONSMQQNADCVCF-UHFFFAOYSA-N 1 1 322.405 3.252 20 5 DGBDMO C[C@@]1(C(F)(F)F)CC[N@@H+](CCOc2cccc([N+](=O)[O-])c2)C1 ZINC001197544675 1101593524 /nfs/dbraw/zinc/59/35/24/1101593524.db2.gz ZXAMQXGAWVAYJI-CYBMUJFWSA-N 1 1 318.295 3.248 20 5 DGBDMO O=[N+]([O-])c1ccc(CC[N@H+]2C[C@@H]3C[C@]3(c3ccccc3)C2)cc1 ZINC001197719164 1101641200 /nfs/dbraw/zinc/64/12/00/1101641200.db2.gz FRAKMRNQOINUEL-PKOBYXMFSA-N 1 1 308.381 3.411 20 5 DGBDMO Cc1c(C[N@H+]2CCCC[C@H]2[C@@H]2CCCO2)cccc1[N+](=O)[O-] ZINC001198684604 1101957783 /nfs/dbraw/zinc/95/77/83/1101957783.db2.gz CAZYDESQTGBBLR-IRXDYDNUSA-N 1 1 304.390 3.437 20 5 DGBDMO Cc1cccc(-c2noc([C@H]([NH3+])Cc3cccc([N+](=O)[O-])c3)n2)c1 ZINC001248209768 1105068646 /nfs/dbraw/zinc/06/86/46/1105068646.db2.gz WBFVYHTXVFCDDG-OAHLLOKOSA-N 1 1 324.340 3.196 20 5 DGBDMO C[C@]1(CF)CC[N@H+](C2CCN(c3ccc([N+](=O)[O-])cc3)CC2)C1 ZINC001254474681 1106077872 /nfs/dbraw/zinc/07/78/72/1106077872.db2.gz SPLBWDJDYXLOPQ-QGZVFWFLSA-N 1 1 321.396 3.245 20 5 DGBDMO O=[N+]([O-])c1ccc(N2CCC([N@H+]3CCC[C@@H]4C[C@@H]43)CC2)cc1 ZINC001254480928 1106079269 /nfs/dbraw/zinc/07/92/69/1106079269.db2.gz QIUKKAWDHJEUKT-DYVFJYSZSA-N 1 1 301.390 3.048 20 5 DGBDMO O=[N+]([O-])c1ccc2c(c1)C[C@@H]([N@H+]1CCC[C@H]1c1ccccn1)C2 ZINC001254599008 1106110879 /nfs/dbraw/zinc/11/08/79/1106110879.db2.gz JEZMVANPPSKJPB-WMZOPIPTSA-N 1 1 309.369 3.294 20 5 DGBDMO O=[N+]([O-])c1ccc2c(c1)C[C@H]([N@H+]1CCC[C@@H](c3ccccn3)C1)C2 ZINC001254599461 1106110957 /nfs/dbraw/zinc/11/09/57/1106110957.db2.gz LTQRHEKHNTYCSC-CRAIPNDOSA-N 1 1 323.396 3.337 20 5 DGBDMO O=[N+]([O-])c1ccc2c(c1)C[C@H]([N@H+]1CCOC3(CCCCC3)C1)C2 ZINC001254609569 1106112597 /nfs/dbraw/zinc/11/25/97/1106112597.db2.gz XLEDOEINCMBZQM-QGZVFWFLSA-N 1 1 316.401 3.097 20 5 DGBDMO C/C(=C\c1cccc([N+](=O)[O-])c1)C[N@H+]1CCC[C@@](C)(CO)C1 ZINC001320643806 1107084984 /nfs/dbraw/zinc/08/49/84/1107084984.db2.gz QGEBXQBQFFCELU-RKCSUWQLSA-N 1 1 304.390 3.093 20 5 DGBDMO CC[N@@H+]1CCC[C@@H](CN[C@H]2CCCc3ccc([N+](=O)[O-])cc32)C1 ZINC001320881462 1107175087 /nfs/dbraw/zinc/17/50/87/1107175087.db2.gz WJXJSWDHYMZTAP-KSSFIOAISA-N 1 1 317.433 3.294 20 5 DGBDMO CC[N@H+]1CCC[C@@H](CN[C@H]2CCCc3ccc([N+](=O)[O-])cc32)C1 ZINC001320881462 1107175096 /nfs/dbraw/zinc/17/50/96/1107175096.db2.gz WJXJSWDHYMZTAP-KSSFIOAISA-N 1 1 317.433 3.294 20 5 DGBDMO COc1cc(C[N@@H+](C)CCc2cccc([N+](=O)[O-])c2)ccc1F ZINC001321475219 1107359185 /nfs/dbraw/zinc/35/91/85/1107359185.db2.gz YEMCNOPYJMTZKV-UHFFFAOYSA-N 1 1 318.348 3.417 20 5 DGBDMO Cc1cncc([N+](=O)[O-])c1N1CCC[C@H]([N@@H+]2[C@H](C)CC[C@@H]2C)C1 ZINC001322417675 1107668429 /nfs/dbraw/zinc/66/84/29/1107668429.db2.gz ZRRNQPTWPQDXIF-ZNMIVQPWSA-N 1 1 318.421 3.140 20 5 DGBDMO CC1(C)C[N@H+](Cc2nc(-c3cccc([N+](=O)[O-])c3)no2)C1(C)C ZINC001318965538 1108257051 /nfs/dbraw/zinc/25/70/51/1108257051.db2.gz JYRHUFQYQYHITC-UHFFFAOYSA-N 1 1 316.361 3.265 20 5 DGBDMO CC1(C)C[N@@H+](Cc2nc(-c3cccc([N+](=O)[O-])c3)no2)C1(C)C ZINC001318965538 1108257062 /nfs/dbraw/zinc/25/70/62/1108257062.db2.gz JYRHUFQYQYHITC-UHFFFAOYSA-N 1 1 316.361 3.265 20 5 DGBDMO C[C@H](c1ccccc1)[C@H](O)C[N@@H+]1Cc2ccc([N+](=O)[O-])cc2C1 ZINC001324425028 1108282900 /nfs/dbraw/zinc/28/29/00/1108282900.db2.gz PSZGTQJJCJEXSO-FZKQIMNGSA-N 1 1 312.369 3.075 20 5 DGBDMO C[C@H](c1ccccc1)[C@H](O)C[N@H+]1Cc2ccc([N+](=O)[O-])cc2C1 ZINC001324425028 1108282908 /nfs/dbraw/zinc/28/29/08/1108282908.db2.gz PSZGTQJJCJEXSO-FZKQIMNGSA-N 1 1 312.369 3.075 20 5 DGBDMO Cc1cc(C)c(Cn2cc([N+](=O)[O-])c(-c3ccccn3)n2)c(C)[nH+]1 ZINC001307372227 1111292894 /nfs/dbraw/zinc/29/28/94/1111292894.db2.gz NEWXCKULMRUDSO-UHFFFAOYSA-N 1 1 323.356 3.222 20 5 DGBDMO Cn1cc(C[N@H+]2CCCC3(C2)CCCCCC3)c([N+](=O)[O-])n1 ZINC001307506126 1111307446 /nfs/dbraw/zinc/30/74/46/1111307446.db2.gz LJACAZUUMQYWFB-UHFFFAOYSA-N 1 1 306.410 3.265 20 5 DGBDMO CCC[C@@H]1CCC[N@H+]([C@H](C)C(=O)Nc2cccc([N+](=O)[O-])c2)C1 ZINC001307562894 1111314183 /nfs/dbraw/zinc/31/41/83/1111314183.db2.gz HZOCECXLTPJLTO-ZIAGYGMSSA-N 1 1 319.405 3.434 20 5 DGBDMO CCC[C@@H]1CCC[N@H+]([C@@H](C)C(=O)Nc2ccc([N+](=O)[O-])cc2)C1 ZINC001307563499 1111314398 /nfs/dbraw/zinc/31/43/98/1111314398.db2.gz NLHNPTPWAVWLBI-UONOGXRCSA-N 1 1 319.405 3.434 20 5 DGBDMO CCC[C@@H]1CCC[N@H+]1CCC(=O)Nc1ccc([N+](=O)[O-])cc1C ZINC001308137507 1111383132 /nfs/dbraw/zinc/38/31/32/1111383132.db2.gz XNEKUWBRFPPCRI-CQSZACIVSA-N 1 1 319.405 3.496 20 5 DGBDMO Cc1ccc([N+](=O)[O-])c(C)c1CNC[C@H](C)[N@@H+]1CCC[C@H](C)C1 ZINC001308200036 1111396895 /nfs/dbraw/zinc/39/68/95/1111396895.db2.gz RVKGOXVXXMWGKL-ZFWWWQNUSA-N 1 1 319.449 3.422 20 5 DGBDMO Cc1ccc([N+](=O)[O-])c(C)c1CNC[C@H](C)[N@H+]1CCC[C@H](C)C1 ZINC001308200036 1111396901 /nfs/dbraw/zinc/39/69/01/1111396901.db2.gz RVKGOXVXXMWGKL-ZFWWWQNUSA-N 1 1 319.449 3.422 20 5 DGBDMO C[N@H+](Cc1cc([N+](=O)[O-])ccc1Cl)C[C@H]1CCSC1 ZINC000278432498 214150115 /nfs/dbraw/zinc/15/01/15/214150115.db2.gz KDFRSVSHSGJSFX-SNVBAGLBSA-N 1 1 300.811 3.433 20 5 DGBDMO O=[N+]([O-])c1ccc(N[C@H]2CC[N@H+]3CCC[C@H]3C2)c2ncccc12 ZINC000322725267 231211713 /nfs/dbraw/zinc/21/17/13/231211713.db2.gz RYSHNCULIGFMBU-STQMWFEESA-N 1 1 312.373 3.182 20 5 DGBDMO CC[C@@H](CO)[N@@H+](C)Cc1cc(Cl)cc(Cl)c1[N+](=O)[O-] ZINC000295646166 529504775 /nfs/dbraw/zinc/50/47/75/529504775.db2.gz GYKVSXSZRIBWEQ-JTQLQIEISA-N 1 1 307.177 3.104 20 5 DGBDMO Cc1cc(C[C@@H](C)[NH2+][C@H](C)c2cccc([N+](=O)[O-])c2C)n[nH]1 ZINC000090529655 185300495 /nfs/dbraw/zinc/30/04/95/185300495.db2.gz PNSAYXWCRWNKRU-ZWNOBZJWSA-N 1 1 302.378 3.217 20 5 DGBDMO COCCC[N@H+](C)Cc1csc(-c2cccc([N+](=O)[O-])c2)n1 ZINC000092536924 185324531 /nfs/dbraw/zinc/32/45/31/185324531.db2.gz WBHBWRYPMQJCSQ-UHFFFAOYSA-N 1 1 321.402 3.187 20 5 DGBDMO COCCC[N@@H+](C)Cc1csc(-c2cccc([N+](=O)[O-])c2)n1 ZINC000092536924 185324532 /nfs/dbraw/zinc/32/45/32/185324532.db2.gz WBHBWRYPMQJCSQ-UHFFFAOYSA-N 1 1 321.402 3.187 20 5 DGBDMO COc1cc(C[N@H+]2CCC[C@H]2C2CCC2)c([N+](=O)[O-])cc1OC ZINC000092780996 185340343 /nfs/dbraw/zinc/34/03/43/185340343.db2.gz LRPFFVQNZOOKIH-AWEZNQCLSA-N 1 1 320.389 3.377 20 5 DGBDMO CCc1ccc([C@H]([NH2+]C[C@@H](C)OC)c2ccc([N+](=O)[O-])cc2)o1 ZINC000443194977 529726580 /nfs/dbraw/zinc/72/65/80/529726580.db2.gz QFMAOOUGLYBZLX-SJKOYZFVSA-N 1 1 318.373 3.464 20 5 DGBDMO C[N@@H+](C/C=C/c1ccccc1[N+](=O)[O-])C[C@H]1CCCC[C@@H]1O ZINC000272675235 210079204 /nfs/dbraw/zinc/07/92/04/210079204.db2.gz UMUMSBGGJISXID-QDTKCAEZSA-N 1 1 304.390 3.091 20 5 DGBDMO CO[C@H]1CCC[N@@H+](Cc2ccc(-c3cccc([N+](=O)[O-])c3)o2)C1 ZINC000130279991 432019782 /nfs/dbraw/zinc/01/97/82/432019782.db2.gz XMYJEHVRKUUQHY-HNNXBMFYSA-N 1 1 316.357 3.466 20 5 DGBDMO CCOc1cc(C[N@H+]2CCCC[C@@H]2C[C@@H](C)O)ccc1[N+](=O)[O-] ZINC000279959754 215272139 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3.366 20 5 DGBDMO COc1ccc(OCC[N@@H+](C)Cc2ccoc2C)c([N+](=O)[O-])c1 ZINC000173564548 198228299 /nfs/dbraw/zinc/22/82/99/198228299.db2.gz OAMPGLUCQNWJLW-UHFFFAOYSA-N 1 1 320.345 3.016 20 5 DGBDMO O=C(Nc1cc(F)cc([N+](=O)[O-])c1)[C@@H]1CCC[N@H+]1C1CCCC1 ZINC000331966342 234331819 /nfs/dbraw/zinc/33/18/19/234331819.db2.gz IOKWZDLNXVQURB-HNNXBMFYSA-N 1 1 321.352 3.079 20 5 DGBDMO Cc1ccc([C@H]2C[C@H](C)CC[N@H+]2CCn2cc([N+](=O)[O-])cn2)o1 ZINC000174881970 198396488 /nfs/dbraw/zinc/39/64/88/198396488.db2.gz DDHWJIXXUJFYLQ-IUODEOHRSA-N 1 1 318.377 3.166 20 5 DGBDMO C[N@@H+](CCn1cc([N+](=O)[O-])cn1)Cc1csc2ccccc12 ZINC000174821018 198389796 /nfs/dbraw/zinc/38/97/96/198389796.db2.gz SCYXIERORSNKJO-UHFFFAOYSA-N 1 1 316.386 3.138 20 5 DGBDMO CC[C@H]([NH2+]Cc1ccc(OC)c([N+](=O)[O-])c1)c1nccs1 ZINC000080278289 192020496 /nfs/dbraw/zinc/02/04/96/192020496.db2.gz DNCLLUBEWXFWOQ-NSHDSACASA-N 1 1 307.375 3.301 20 5 DGBDMO C[C@@H]1C[N@@H+](Cc2ccc(-c3ccccc3[N+](=O)[O-])o2)CCCO1 ZINC000179397350 432056278 /nfs/dbraw/zinc/05/62/78/432056278.db2.gz MXTFVOWTOPHOBD-CYBMUJFWSA-N 1 1 316.357 3.466 20 5 DGBDMO C[C@@H]1C[C@H](Nc2ccc([N+](=O)[O-])c3cnccc23)C[N@H+]1C1CC1 ZINC000133544958 432066091 /nfs/dbraw/zinc/06/60/91/432066091.db2.gz MENWXTKMANHHJC-NEPJUHHUSA-N 1 1 312.373 3.180 20 5 DGBDMO C[C@H]1C[C@H](Nc2ccc([N+](=O)[O-])c3cnccc23)C[N@H+]1C1CC1 ZINC000133545170 432066362 /nfs/dbraw/zinc/06/63/62/432066362.db2.gz MENWXTKMANHHJC-RYUDHWBXSA-N 1 1 312.373 3.180 20 5 DGBDMO C[C@]1(O)CC[N@@H+](Cc2ccc(-c3ccc([N+](=O)[O-])cc3)s2)C1 ZINC000180186119 199127549 /nfs/dbraw/zinc/12/75/49/199127549.db2.gz ROBHWUHRASORPC-INIZCTEOSA-N 1 1 318.398 3.280 20 5 DGBDMO C[N@@H+](CCCCCn1cccn1)Cc1ccccc1[N+](=O)[O-] ZINC000170908990 432087802 /nfs/dbraw/zinc/08/78/02/432087802.db2.gz JPBFVVIWRVTBGL-UHFFFAOYSA-N 1 1 302.378 3.094 20 5 DGBDMO O=[N+]([O-])c1ccccc1/C=C/C[N@H+]1CCC[C@H](OCC2CC2)C1 ZINC000428385921 238018386 /nfs/dbraw/zinc/01/83/86/238018386.db2.gz CBVBLXDIDCOEDA-ZVVFDCPKSA-N 1 1 316.401 3.499 20 5 DGBDMO O=[N+]([O-])c1ccccc1/C=C/C[N@H+]1CCC[C@@H](OCC2CC2)C1 ZINC000428385920 238018457 /nfs/dbraw/zinc/01/84/57/238018457.db2.gz CBVBLXDIDCOEDA-ZNNBYXKUSA-N 1 1 316.401 3.499 20 5 DGBDMO COc1ccncc1C[NH2+]C(C)(C)c1ccccc1[N+](=O)[O-] ZINC000429266705 238045683 /nfs/dbraw/zinc/04/56/83/238045683.db2.gz VIYIKUVVNFTDLA-UHFFFAOYSA-N 1 1 301.346 3.023 20 5 DGBDMO Cc1c(CN2CC[N@H+](C3CCC3)C[C@H](C)C2)cccc1[N+](=O)[O-] ZINC000429369352 238049820 /nfs/dbraw/zinc/04/98/20/238049820.db2.gz RSQPFTMMFCWROW-CQSZACIVSA-N 1 1 317.433 3.209 20 5 DGBDMO COc1cc([N+](=O)[O-])ccc1C[N@@H+](C[C@@H](C)O)C1CCCCC1 ZINC000430220256 238071311 /nfs/dbraw/zinc/07/13/11/238071311.db2.gz PCXFEUUDBZFZNJ-CYBMUJFWSA-N 1 1 322.405 3.119 20 5 DGBDMO COCC[N@@H+](Cc1ccc([N+](=O)[O-])cc1OC)[C@H]1CCC[C@H]1C ZINC000430239683 238072202 /nfs/dbraw/zinc/07/22/02/238072202.db2.gz BPZWEBJPMMEDED-CJNGLKHVSA-N 1 1 322.405 3.240 20 5 DGBDMO COc1cc([N+](=O)[O-])ccc1C[N@@H+]1CCc2cc(C)ccc2C1 ZINC000430248578 238072363 /nfs/dbraw/zinc/07/23/63/238072363.db2.gz ZSHLALHCYQAMNJ-UHFFFAOYSA-N 1 1 312.369 3.470 20 5 DGBDMO COc1cc([N+](=O)[O-])ccc1C[N@H+]1CCc2cc(C)ccc2C1 ZINC000430248578 238072364 /nfs/dbraw/zinc/07/23/64/238072364.db2.gz ZSHLALHCYQAMNJ-UHFFFAOYSA-N 1 1 312.369 3.470 20 5 DGBDMO O=[N+]([O-])c1ccc(CNC[C@@H]2CCC[N@H+]2C2CCCCC2)cc1 ZINC000435731795 238342380 /nfs/dbraw/zinc/34/23/80/238342380.db2.gz NABGXMHVISUOPV-SFHVURJKSA-N 1 1 317.433 3.482 20 5 DGBDMO O=[N+]([O-])c1ccc(CNC[C@H]2CCC[N@H+]2C2CCCCC2)cc1 ZINC000435731794 238342623 /nfs/dbraw/zinc/34/26/23/238342623.db2.gz NABGXMHVISUOPV-GOSISDBHSA-N 1 1 317.433 3.482 20 5 DGBDMO O=[N+]([O-])c1cccc(C[N@@H+](CCC2CCOCC2)C2CC2)c1 ZINC000292755736 223230466 /nfs/dbraw/zinc/23/04/66/223230466.db2.gz XFDWCKJINAADGV-UHFFFAOYSA-N 1 1 304.390 3.376 20 5 DGBDMO O=[N+]([O-])c1ccc2c(c1)[C@H]([NH2+][C@H](CCO)c1ccco1)CCC2 ZINC000193297169 201023023 /nfs/dbraw/zinc/02/30/23/201023023.db2.gz XTLZWOFYEQDINS-HZPDHXFCSA-N 1 1 316.357 3.279 20 5 DGBDMO CC[C@H](NC[C@@H]1CC[N@@H+](C2CC2)C1)c1cccc([N+](=O)[O-])c1 ZINC000193507141 201066521 /nfs/dbraw/zinc/06/65/21/201066521.db2.gz HAAIYCMPDPDLNL-GUYCJALGSA-N 1 1 303.406 3.120 20 5 DGBDMO CC[C@H](NC[C@@H]1CC[N@H+](C2CC2)C1)c1cccc([N+](=O)[O-])c1 ZINC000193507141 201066525 /nfs/dbraw/zinc/06/65/25/201066525.db2.gz HAAIYCMPDPDLNL-GUYCJALGSA-N 1 1 303.406 3.120 20 5 DGBDMO CC[C@H]([NH2+]C[C@@H]1CCN(C2CC2)C1)c1cccc([N+](=O)[O-])c1 ZINC000193507141 201066529 /nfs/dbraw/zinc/06/65/29/201066529.db2.gz HAAIYCMPDPDLNL-GUYCJALGSA-N 1 1 303.406 3.120 20 5 DGBDMO C[N@@H+](CCc1ccccc1)Cc1ccc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000193669403 201098684 /nfs/dbraw/zinc/09/86/84/201098684.db2.gz QYRUYVQIMYSCJR-UHFFFAOYSA-N 1 1 315.329 3.178 20 5 DGBDMO COc1ccc(OCC[N@H+]2CCC[C@@H](C)CC2)c([N+](=O)[O-])c1 ZINC000441283833 239031442 /nfs/dbraw/zinc/03/14/42/239031442.db2.gz XGDGIQSUBDLQJC-CYBMUJFWSA-N 1 1 308.378 3.104 20 5 DGBDMO C[C@H]1CC[N@@H+](CCC(=O)Nc2ccc([N+](=O)[O-])cc2)C[C@H](C)C1 ZINC000443657113 239225371 /nfs/dbraw/zinc/22/53/71/239225371.db2.gz QOTMQMTUUUNJGM-UONOGXRCSA-N 1 1 319.405 3.291 20 5 DGBDMO Cc1ccc([C@H](CNc2ncc([N+](=O)[O-])s2)[NH+]2CCCC2)o1 ZINC000195512445 201396493 /nfs/dbraw/zinc/39/64/93/201396493.db2.gz OQUZPWLVJMRQPT-NSHDSACASA-N 1 1 322.390 3.202 20 5 DGBDMO Cc1cccc([N+](=O)[O-])c1NC(=O)C[N@H+](CC1CCC1)C(C)C ZINC000444763991 239348906 /nfs/dbraw/zinc/34/89/06/239348906.db2.gz FTGBQDWPSBDKRD-UHFFFAOYSA-N 1 1 319.405 3.352 20 5 DGBDMO Cc1cnn(C)c1C[N@H+]1CCC[C@H](c2ccc([N+](=O)[O-])cc2)C1 ZINC000449498416 240249325 /nfs/dbraw/zinc/24/93/25/240249325.db2.gz KMRPZRYUZRIKTN-HNNXBMFYSA-N 1 1 314.389 3.016 20 5 DGBDMO O=[N+]([O-])c1ccc(C[N@H+]2CC[C@@H]3C[C@@H](O)CC[C@H]3C2)c(Cl)c1 ZINC000449557544 240288411 /nfs/dbraw/zinc/28/84/11/240288411.db2.gz UYVDZQGDSCBTAC-XUJVJEKNSA-N 1 1 324.808 3.231 20 5 DGBDMO CC[C@@H](C)C[N@@H+](C)Cc1cn(C)nc1-c1ccc([N+](=O)[O-])cc1 ZINC000091796012 193109972 /nfs/dbraw/zinc/10/99/72/193109972.db2.gz KIIOSIGBFTVLNO-CYBMUJFWSA-N 1 1 316.405 3.473 20 5 DGBDMO CC1(C)C[N@H+](Cc2ccc(-c3ccccc3[N+](=O)[O-])o2)CCO1 ZINC000091917542 193126245 /nfs/dbraw/zinc/12/62/45/193126245.db2.gz PZJQNCOACRSTMR-UHFFFAOYSA-N 1 1 316.357 3.466 20 5 DGBDMO CC1(C)C[N@@H+](Cc2ccc(-c3ccccc3[N+](=O)[O-])o2)CCO1 ZINC000091917542 193126247 /nfs/dbraw/zinc/12/62/47/193126247.db2.gz PZJQNCOACRSTMR-UHFFFAOYSA-N 1 1 316.357 3.466 20 5 DGBDMO C[C@@H]1Cc2[nH+]cn(Cc3c(F)cccc3[N+](=O)[O-])c2C[C@@H]1C ZINC000451000378 240966458 /nfs/dbraw/zinc/96/64/58/240966458.db2.gz PFUDZMIGBYIUBS-MNOVXSKESA-N 1 1 303.337 3.350 20 5 DGBDMO C[C@H]([NH2+]Cc1c([N+](=O)[O-])ncn1C)c1cccc(C2CC2)c1 ZINC000451115990 241012155 /nfs/dbraw/zinc/01/21/55/241012155.db2.gz PZHNKCBXLOPIDN-NSHDSACASA-N 1 1 300.362 3.057 20 5 DGBDMO Cc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@H+]1[C@@H](C)CCC1(C)C ZINC000452015898 241299263 /nfs/dbraw/zinc/29/92/63/241299263.db2.gz VVMMTSNVTMXFKC-ZDUSSCGKSA-N 1 1 319.405 3.495 20 5 DGBDMO CCC[C@@H]([NH2+]Cc1ccnc(OC)n1)c1cccc([N+](=O)[O-])c1 ZINC000453243470 241686732 /nfs/dbraw/zinc/68/67/32/241686732.db2.gz GDILILZDEKZBJR-OAHLLOKOSA-N 1 1 316.361 3.024 20 5 DGBDMO CC[C@H](C)C[N@@H+](C)CC(=O)Nc1ccc(Cl)cc1[N+](=O)[O-] ZINC000111254922 284076898 /nfs/dbraw/zinc/07/68/98/284076898.db2.gz TUASEQORMDPTBE-JTQLQIEISA-N 1 1 313.785 3.165 20 5 DGBDMO CC[N@H+](CCNC/C(C)=C\c1cccc([N+](=O)[O-])c1)C(C)C ZINC000468645667 244059266 /nfs/dbraw/zinc/05/92/66/244059266.db2.gz QWIUAVSEOKCBFO-PTNGSMBKSA-N 1 1 305.422 3.318 20 5 DGBDMO CC[N@@H+](CCNC/C(C)=C\c1cccc([N+](=O)[O-])c1)C(C)C ZINC000468645667 244059272 /nfs/dbraw/zinc/05/92/72/244059272.db2.gz QWIUAVSEOKCBFO-PTNGSMBKSA-N 1 1 305.422 3.318 20 5 DGBDMO C[C@H]1C[C@@H](O)C[N@H+]1Cc1ccc(-c2ccc([N+](=O)[O-])cc2)s1 ZINC000471804845 244250621 /nfs/dbraw/zinc/25/06/21/244250621.db2.gz OXHWVWLCEXKDOM-SMDDNHRTSA-N 1 1 318.398 3.278 20 5 DGBDMO CC(C)[C@@H](C[NH2+][C@@H](C)c1cccc([N+](=O)[O-])c1)N1CCCC1 ZINC000120731803 284177243 /nfs/dbraw/zinc/17/72/43/284177243.db2.gz LGTGZVCEVYIIQN-WMLDXEAASA-N 1 1 305.422 3.366 20 5 DGBDMO O=[N+]([O-])c1cc(C[NH2+]Cc2ccccn2)cc(C(F)(F)F)c1 ZINC000487184208 245031949 /nfs/dbraw/zinc/03/19/49/245031949.db2.gz FWDCEUFIDXTLIE-UHFFFAOYSA-N 1 1 311.263 3.298 20 5 DGBDMO Cc1cccc([N+](=O)[O-])c1N1CC[N@H+](C2CCC2)C[C@@H](C)C1 ZINC000488734069 245225465 /nfs/dbraw/zinc/22/54/65/245225465.db2.gz PZKYORARQZNRGH-CYBMUJFWSA-N 1 1 303.406 3.214 20 5 DGBDMO COc1cc(C[N@H+]2CC[C@@H]2Cc2ccccc2)ccc1[N+](=O)[O-] ZINC000490069739 245377993 /nfs/dbraw/zinc/37/79/93/245377993.db2.gz YDERQVVLIKQLBP-MRXNPFEDSA-N 1 1 312.369 3.420 20 5 DGBDMO CC[N@H+]1CC[C@H](NCc2cc([N+](=O)[O-])ccc2Cl)[C@H](C)C1 ZINC000266131106 205123375 /nfs/dbraw/zinc/12/33/75/205123375.db2.gz DBKNDJGVXUIIET-ABAIWWIYSA-N 1 1 311.813 3.068 20 5 DGBDMO CCCC[N@@H+](C)CCNC(=O)Nc1c(C)ccc([N+](=O)[O-])c1C ZINC000127851004 284354725 /nfs/dbraw/zinc/35/47/25/284354725.db2.gz PDLHTVRZNOEBEV-UHFFFAOYSA-N 1 1 322.409 3.065 20 5 DGBDMO C[C@@H](c1ccccc1[N+](=O)[O-])N1CC[N@H+](C2CC2)C[C@H](C)C1 ZINC000294950760 296240587 /nfs/dbraw/zinc/24/05/87/296240587.db2.gz ATIZOKHAKJCJSP-KGLIPLIRSA-N 1 1 303.406 3.072 20 5 DGBDMO CC(C)Oc1ccc([N+](=O)[O-])cc1C[N@H+]1[C@@H](CO)CCC[C@@H]1C ZINC000136161142 432147878 /nfs/dbraw/zinc/14/78/78/432147878.db2.gz MNDCWTHVNUBMKA-XJKSGUPXSA-N 1 1 322.405 3.117 20 5 DGBDMO CC(C)Oc1ccc([N+](=O)[O-])cc1C[N@@H+]1[C@@H](CO)CCC[C@@H]1C ZINC000136161142 432147879 /nfs/dbraw/zinc/14/78/79/432147879.db2.gz MNDCWTHVNUBMKA-XJKSGUPXSA-N 1 1 322.405 3.117 20 5 DGBDMO C[N@@H+](CC[C@@H](O)c1ccccc1)Cc1ccccc1[N+](=O)[O-] ZINC000285069477 218278499 /nfs/dbraw/zinc/27/84/99/218278499.db2.gz DZXLPGLWNDVMPQ-QGZVFWFLSA-N 1 1 300.358 3.150 20 5 DGBDMO Cc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@H+](C(C)C)C1CC1 ZINC000063492997 184283599 /nfs/dbraw/zinc/28/35/99/184283599.db2.gz QOBVCOAVZYDSFQ-UHFFFAOYSA-N 1 1 305.378 3.105 20 5 DGBDMO C[N@@H+](CCC(=O)Nc1ccccc1[N+](=O)[O-])C[C@H]1CC=CCC1 ZINC000337320178 253086080 /nfs/dbraw/zinc/08/60/80/253086080.db2.gz OOCVCDHGRIBGQR-AWEZNQCLSA-N 1 1 317.389 3.212 20 5 DGBDMO C[C@H]1CC[N@@H+](CCC(=O)Nc2ccccc2[N+](=O)[O-])CC1(C)C ZINC000337321906 253087385 /nfs/dbraw/zinc/08/73/85/253087385.db2.gz QMXHQOAVOGNCBE-ZDUSSCGKSA-N 1 1 319.405 3.291 20 5 DGBDMO O=[N+]([O-])c1cc(Cl)ccc1N1CCC(c2[nH]cc[nH+]2)CC1 ZINC000264964818 285089486 /nfs/dbraw/zinc/08/94/86/285089486.db2.gz XRAAMUMNVVQMJB-UHFFFAOYSA-N 1 1 306.753 3.355 20 5 DGBDMO C[C@@H]1CC[C@@H]([N@@H+](C)CCC(=O)Nc2ccccc2[N+](=O)[O-])C1 ZINC000337456827 253119032 /nfs/dbraw/zinc/11/90/32/253119032.db2.gz ICXKFMBXCKOGMI-CHWSQXEVSA-N 1 1 305.378 3.044 20 5 DGBDMO O=[N+]([O-])c1ccccc1-c1ccc(C[N@@H+]2CCC[C@H](O)C2)s1 ZINC000158765182 197300380 /nfs/dbraw/zinc/30/03/80/197300380.db2.gz LLXKZLPIVOCIAG-LBPRGKRZSA-N 1 1 318.398 3.280 20 5 DGBDMO CCCC[N@@H+](C)C[C@@H](C)Nc1ncnc2cccc([N+](=O)[O-])c21 ZINC000341149606 253753660 /nfs/dbraw/zinc/75/36/60/253753660.db2.gz TXYPTVIOYQUOLT-GFCCVEGCSA-N 1 1 317.393 3.070 20 5 DGBDMO Cn1cnc2cc(C[N@H+](C)Cc3ccccc3[N+](=O)[O-])ccc21 ZINC000342668962 254029721 /nfs/dbraw/zinc/02/97/21/254029721.db2.gz DLZKNUAWUNGBGL-UHFFFAOYSA-N 1 1 310.357 3.114 20 5 DGBDMO Cn1cnc2cc(C[N@@H+](C)Cc3ccccc3[N+](=O)[O-])ccc21 ZINC000342668962 254029724 /nfs/dbraw/zinc/02/97/24/254029724.db2.gz DLZKNUAWUNGBGL-UHFFFAOYSA-N 1 1 310.357 3.114 20 5 DGBDMO CC[C@@H](C)C[N@@H+](CC)[C@H](C)C(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000343682060 254177582 /nfs/dbraw/zinc/17/75/82/254177582.db2.gz HSVALVJFTACTFC-CHWSQXEVSA-N 1 1 307.394 3.290 20 5 DGBDMO CC[C@@]1(C)CC[N@@H+](CCC(=O)Nc2ccc([N+](=O)[O-])cc2C)C1 ZINC000344229437 254241922 /nfs/dbraw/zinc/24/19/22/254241922.db2.gz HIUZIMBVIQFGLT-KRWDZBQOSA-N 1 1 319.405 3.354 20 5 DGBDMO C[C@H](C(=O)Nc1cccc([N+](=O)[O-])c1)[N@@H+](C)CC1CCCC1 ZINC000344242724 254244325 /nfs/dbraw/zinc/24/43/25/254244325.db2.gz OMECJJFDCQXXOI-GFCCVEGCSA-N 1 1 305.378 3.044 20 5 DGBDMO CC[C@]1(C)CC[N@H+]([C@H](C)C(=O)Nc2ccccc2[N+](=O)[O-])C1 ZINC000344283009 254249978 /nfs/dbraw/zinc/24/99/78/254249978.db2.gz WCDFHVSKVZLTFQ-MLGOLLRUSA-N 1 1 305.378 3.044 20 5 DGBDMO C[C@@H](C(=O)Nc1ccc([N+](=O)[O-])cc1)[N@H+]1CCC[C@H](C2CC2)C1 ZINC000344001331 254211125 /nfs/dbraw/zinc/21/11/25/254211125.db2.gz YLUPZYRCPYNTCH-JSGCOSHPSA-N 1 1 317.389 3.044 20 5 DGBDMO C[N@@H+](CCC1CCOCC1)Cc1ccc(Cl)cc1[N+](=O)[O-] ZINC000120746575 195230351 /nfs/dbraw/zinc/23/03/51/195230351.db2.gz MDARRWYFFZXNRJ-UHFFFAOYSA-N 1 1 312.797 3.497 20 5 DGBDMO C[C@@H](CCc1ccccc1[N+](=O)[O-])[NH2+][C@@H]1CCCc2c[nH]nc21 ZINC000271565833 209018223 /nfs/dbraw/zinc/01/82/23/209018223.db2.gz XUWAPMTXARNWPA-SWLSCSKDSA-N 1 1 314.389 3.306 20 5 DGBDMO Cc1c(C[N@@H+]2CC[C@H](n3cc(Cl)cn3)C2)cccc1[N+](=O)[O-] ZINC000289781915 221222941 /nfs/dbraw/zinc/22/29/41/221222941.db2.gz HDFXFBBEMJKZOK-AWEZNQCLSA-N 1 1 320.780 3.200 20 5 DGBDMO Cc1c(C[N@H+]2CC[C@H](n3cc(Cl)cn3)C2)cccc1[N+](=O)[O-] ZINC000289781915 221222943 /nfs/dbraw/zinc/22/29/43/221222943.db2.gz HDFXFBBEMJKZOK-AWEZNQCLSA-N 1 1 320.780 3.200 20 5 DGBDMO CC1(C)C[N@@H+](CCc2ccc([N+](=O)[O-])cc2)[C@@H]1[C@@H]1CCCO1 ZINC000289803774 221236513 /nfs/dbraw/zinc/23/65/13/221236513.db2.gz NWTBPSOBVDRTCC-JKSUJKDBSA-N 1 1 304.390 3.027 20 5 DGBDMO C[C@@H](c1ccccc1[N+](=O)[O-])N1CC[N@H+](C2CC2)C[C@@H](C)C1 ZINC000294950756 224333135 /nfs/dbraw/zinc/33/31/35/224333135.db2.gz ATIZOKHAKJCJSP-KBPBESRZSA-N 1 1 303.406 3.072 20 5 DGBDMO CO[C@H]1CC[N@H+](Cc2cc(Cl)ccc2[N+](=O)[O-])CC1(C)C ZINC000295001817 224371064 /nfs/dbraw/zinc/37/10/64/224371064.db2.gz LIOUQHWMMQOKCX-AWEZNQCLSA-N 1 1 312.797 3.495 20 5 DGBDMO CO[C@H]1CC[N@@H+](Cc2cc(Cl)ccc2[N+](=O)[O-])CC1(C)C ZINC000295001817 224371067 /nfs/dbraw/zinc/37/10/67/224371067.db2.gz LIOUQHWMMQOKCX-AWEZNQCLSA-N 1 1 312.797 3.495 20 5 DGBDMO C/C(=C/c1cccc([N+](=O)[O-])c1)CNC[C@H](C)C[NH+]1CCCC1 ZINC000468654499 533384928 /nfs/dbraw/zinc/38/49/28/533384928.db2.gz YHKUJIKMLACUKA-IZNAZMGOSA-N 1 1 317.433 3.320 20 5 DGBDMO C/C(=C\c1cccc([N+](=O)[O-])c1)C[N@@H+](C)CC1CCOCC1 ZINC000470173070 533407017 /nfs/dbraw/zinc/40/70/17/533407017.db2.gz HPPHJNZHBNFBPZ-GXDHUFHOSA-N 1 1 304.390 3.357 20 5 DGBDMO C/C(=C\c1cccc([N+](=O)[O-])c1)C[N@H+](C)[C@@H](C)c1cnn(C)c1 ZINC000470203259 533407500 /nfs/dbraw/zinc/40/75/00/533407500.db2.gz PMBTZDNZAVEMTE-CZAWJFPGSA-N 1 1 314.389 3.425 20 5 DGBDMO C/C(=C\c1cccc([N+](=O)[O-])c1)C[N@@H+](C)C[C@@H]1CCC[C@H]1O ZINC000470181502 533407716 /nfs/dbraw/zinc/40/77/16/533407716.db2.gz DEPUVPIOWAVTIU-QSNQCMLGSA-N 1 1 304.390 3.091 20 5 DGBDMO O=[N+]([O-])c1ccc(Cl)cc1N1CCC[C@@H](c2[nH]cc[nH+]2)C1 ZINC000288049405 296504606 /nfs/dbraw/zinc/50/46/06/296504606.db2.gz UKBXDDOTGJPKPQ-SNVBAGLBSA-N 1 1 306.753 3.355 20 5 DGBDMO COc1cc([N+](=O)[O-])ccc1[C@H](C)[NH2+]Cc1ccnc(C)c1 ZINC000595041490 400086137 /nfs/dbraw/zinc/08/61/37/400086137.db2.gz MFRCOSFFJZNKNN-LBPRGKRZSA-N 1 1 301.346 3.158 20 5 DGBDMO Cc1ccccc1N1CC[NH+](Cc2ccccc2[N+](=O)[O-])CC1 ZINC000006982884 400096194 /nfs/dbraw/zinc/09/61/94/400096194.db2.gz XNPNODWNRJJSEL-UHFFFAOYSA-N 1 1 311.385 3.225 20 5 DGBDMO CCc1nocc1C[N@@H+](C)CCCOc1ccc([N+](=O)[O-])cc1 ZINC000293334091 400098295 /nfs/dbraw/zinc/09/82/95/400098295.db2.gz GSIWSXGVTUPKBM-UHFFFAOYSA-N 1 1 319.361 3.046 20 5 DGBDMO O=[N+]([O-])c1ncccc1N[C@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000302885831 400103364 /nfs/dbraw/zinc/10/33/64/400103364.db2.gz YHZMBKMKMRAJMK-HNNXBMFYSA-N 1 1 312.373 3.066 20 5 DGBDMO O=[N+]([O-])c1ccc(OCC[N@H+]2CC[C@@H](c3ccco3)C2)cc1 ZINC000609540443 400174579 /nfs/dbraw/zinc/17/45/79/400174579.db2.gz XTWPTVRRDBZXPD-CYBMUJFWSA-N 1 1 302.330 3.056 20 5 DGBDMO CCCC[N@@H+](C)[C@@H](C)c1nnc(-c2ccc([N+](=O)[O-])cc2)o1 ZINC000066861688 400126016 /nfs/dbraw/zinc/12/60/16/400126016.db2.gz YMLWTBHILXOICY-NSHDSACASA-N 1 1 304.350 3.438 20 5 DGBDMO Cc1[nH+]ccn1-c1ccccc1CNc1cccnc1[N+](=O)[O-] ZINC000608830998 400128359 /nfs/dbraw/zinc/12/83/59/400128359.db2.gz COUNYZATSATTDN-UHFFFAOYSA-N 1 1 309.329 3.096 20 5 DGBDMO Cc1noc(C[N@@H+](C)[C@H](C)Cc2ccc(C)cc2)c1[N+](=O)[O-] ZINC000595329394 400128779 /nfs/dbraw/zinc/12/87/79/400128779.db2.gz RMUYHQGAKGURDH-GFCCVEGCSA-N 1 1 303.362 3.263 20 5 DGBDMO Cc1noc(C[N@H+](C)[C@H](C)Cc2ccc(C)cc2)c1[N+](=O)[O-] ZINC000595329394 400128780 /nfs/dbraw/zinc/12/87/80/400128780.db2.gz RMUYHQGAKGURDH-GFCCVEGCSA-N 1 1 303.362 3.263 20 5 DGBDMO C[N@@H+](CCc1cccc(Nc2ncccc2[N+](=O)[O-])c1)C1CC1 ZINC000091632153 400129499 /nfs/dbraw/zinc/12/94/99/400129499.db2.gz VQLLVRDHWSHCKO-UHFFFAOYSA-N 1 1 312.373 3.370 20 5 DGBDMO Cc1noc(C[N@@H+]2CC[C@@H](Cc3ccccc3)[C@H]2C)c1[N+](=O)[O-] ZINC000595338364 400130018 /nfs/dbraw/zinc/13/00/18/400130018.db2.gz RKQNOJXUFVQLIY-HIFRSBDPSA-N 1 1 315.373 3.344 20 5 DGBDMO CC[C@H]([NH2+]Cc1ccc(F)cc1[N+](=O)[O-])c1c(C)nn(C)c1C ZINC000595433735 400150120 /nfs/dbraw/zinc/15/01/20/400150120.db2.gz ZZKYQGWISDYQBZ-AWEZNQCLSA-N 1 1 320.368 3.325 20 5 DGBDMO O=[N+]([O-])c1cc(F)ccc1C[N@@H+]1CCC[C@@H](OCC2CC2)C1 ZINC000595444736 400152439 /nfs/dbraw/zinc/15/24/39/400152439.db2.gz CWTKLONKKNKQET-OAHLLOKOSA-N 1 1 308.353 3.125 20 5 DGBDMO O=[N+]([O-])c1cc(F)ccc1C[N@H+]1CCC[C@@H](OCC2CC2)C1 ZINC000595444736 400152445 /nfs/dbraw/zinc/15/24/45/400152445.db2.gz CWTKLONKKNKQET-OAHLLOKOSA-N 1 1 308.353 3.125 20 5 DGBDMO CCC[C@H](C)[N@@H+](C)CCC(=O)Nc1cccc([N+](=O)[O-])c1C ZINC000067965199 400219871 /nfs/dbraw/zinc/21/98/71/400219871.db2.gz GDJFQXZSBYMPQQ-LBPRGKRZSA-N 1 1 307.394 3.352 20 5 DGBDMO CCn1ccc(C[N@H+](C)Cc2nc3cc([N+](=O)[O-])ccc3o2)c1 ZINC000616786104 400223312 /nfs/dbraw/zinc/22/33/12/400223312.db2.gz HLCVBSMVZMJNIW-UHFFFAOYSA-N 1 1 314.345 3.189 20 5 DGBDMO CCn1ccc(C[N@@H+](C)Cc2nc3cc([N+](=O)[O-])ccc3o2)c1 ZINC000616786104 400223315 /nfs/dbraw/zinc/22/33/15/400223315.db2.gz HLCVBSMVZMJNIW-UHFFFAOYSA-N 1 1 314.345 3.189 20 5 DGBDMO O=[N+]([O-])c1cnn(CC[N@@H+]2CC3(CCCC3)[C@@H]2c2ccco2)c1 ZINC000595676652 400224188 /nfs/dbraw/zinc/22/41/88/400224188.db2.gz RIHYDGSYISAHAO-HNNXBMFYSA-N 1 1 316.361 3.002 20 5 DGBDMO O=[N+]([O-])c1cnn(CC[N@H+]2CC3(CCCC3)[C@@H]2c2ccco2)c1 ZINC000595676652 400224190 /nfs/dbraw/zinc/22/41/90/400224190.db2.gz RIHYDGSYISAHAO-HNNXBMFYSA-N 1 1 316.361 3.002 20 5 DGBDMO C[C@@H]1COC2(CCC2)C[N@H+]1CCCOc1ccc([N+](=O)[O-])cc1 ZINC000595675509 400224709 /nfs/dbraw/zinc/22/47/09/400224709.db2.gz OQCIFQCQGRROCR-CQSZACIVSA-N 1 1 320.389 3.007 20 5 DGBDMO O=[N+]([O-])c1ccc2[nH+]ccc(N3CCC[C@@H](CCO)CC3)c2c1 ZINC000601176980 400257045 /nfs/dbraw/zinc/25/70/45/400257045.db2.gz OUOKXBFVJLUGCP-CYBMUJFWSA-N 1 1 315.373 3.132 20 5 DGBDMO C[C@H]1COC(C)(C)CN1c1cc[nH+]c2ccc([N+](=O)[O-])cc21 ZINC000601155998 400250971 /nfs/dbraw/zinc/25/09/71/400250971.db2.gz PNMSYKCELHKHMC-NSHDSACASA-N 1 1 301.346 3.147 20 5 DGBDMO COc1cc(C[N@@H+]2CCC[C@H](CCF)C2)c([N+](=O)[O-])cc1F ZINC000595755258 400251622 /nfs/dbraw/zinc/25/16/22/400251622.db2.gz JVNRWLDHHSUNIO-LLVKDONJSA-N 1 1 314.332 3.314 20 5 DGBDMO COc1cc(C[N@H+]2CCC[C@H](CCF)C2)c([N+](=O)[O-])cc1F ZINC000595755258 400251626 /nfs/dbraw/zinc/25/16/26/400251626.db2.gz JVNRWLDHHSUNIO-LLVKDONJSA-N 1 1 314.332 3.314 20 5 DGBDMO O=[N+]([O-])c1ccc(N[C@@H]2CC[N@@H+](CC3CC3)C2)c2ncccc12 ZINC000092652081 400189568 /nfs/dbraw/zinc/18/95/68/400189568.db2.gz IJMMPKLDDJLNML-CYBMUJFWSA-N 1 1 312.373 3.039 20 5 DGBDMO O=[N+]([O-])c1ccc2[nH+]ccc(N3CCC4(CCOC4)CC3)c2c1 ZINC000601160360 400253663 /nfs/dbraw/zinc/25/36/63/400253663.db2.gz VBZQBIKHNPLLPT-UHFFFAOYSA-N 1 1 313.357 3.150 20 5 DGBDMO CCOc1ccc(NC(=O)C[N@@H+](CC)[C@H](C)CC)c([N+](=O)[O-])c1 ZINC000595593412 400197269 /nfs/dbraw/zinc/19/72/69/400197269.db2.gz PQWJBFWLRHTUOD-GFCCVEGCSA-N 1 1 323.393 3.052 20 5 DGBDMO CC[C@@H](C)[N@@H+](CC)CCC(=O)Nc1ccc([N+](=O)[O-])cc1C ZINC000595597850 400198584 /nfs/dbraw/zinc/19/85/84/400198584.db2.gz BKTLIKRFNBFKAI-CYBMUJFWSA-N 1 1 307.394 3.352 20 5 DGBDMO COc1cc(C[N@H+]2CC[C@@H]3CCCC[C@@H]32)c([N+](=O)[O-])cc1OC ZINC000092709647 400198843 /nfs/dbraw/zinc/19/88/43/400198843.db2.gz YUBAPSKPFKTLIK-JSGCOSHPSA-N 1 1 320.389 3.377 20 5 DGBDMO C[N@@H+](CCNc1ccc([N+](=O)[O-])s1)Cc1ccc(F)cc1 ZINC000610510551 400268015 /nfs/dbraw/zinc/26/80/15/400268015.db2.gz VGDNHOBWJDLLSY-UHFFFAOYSA-N 1 1 309.366 3.339 20 5 DGBDMO 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DGBDMO C[N@@H+](CCC(=O)Nc1ccc([N+](=O)[O-])cc1)Cc1ccsc1 ZINC000122340191 400460639 /nfs/dbraw/zinc/46/06/39/400460639.db2.gz ZGHLEPWJADGSGA-UHFFFAOYSA-N 1 1 319.386 3.117 20 5 DGBDMO CC[C@H](CSc1ccccc1[N+](=O)[O-])NCC1([NH3+])CCCC1 ZINC000596649316 400472084 /nfs/dbraw/zinc/47/20/84/400472084.db2.gz YPDJRTPSKSKEQR-CYBMUJFWSA-N 1 1 323.462 3.327 20 5 DGBDMO Cc1cc([N+](=O)[O-])ccc1NC(=O)C[N@@H+](C)CC1CCCCC1 ZINC000043999759 400483005 /nfs/dbraw/zinc/48/30/05/400483005.db2.gz RAMJDQOWWFNFPX-UHFFFAOYSA-N 1 1 319.405 3.354 20 5 DGBDMO CC[C@H](Cc1ccccc1)[N@@H+](C)CCn1c(C)ncc1[N+](=O)[O-] ZINC000602782243 400571590 /nfs/dbraw/zinc/57/15/90/400571590.db2.gz LXEQSXNGFWUSKJ-MRXNPFEDSA-N 1 1 316.405 3.053 20 5 DGBDMO O=[N+]([O-])c1ccc([C@H]2CCC[N@@H+](Cc3ccns3)C2)cc1 ZINC000602685396 400538278 /nfs/dbraw/zinc/53/82/78/400538278.db2.gz NYQUFNVLELJRSA-ZDUSSCGKSA-N 1 1 303.387 3.431 20 5 DGBDMO CC[C@@H](CSc1ccccc1[N+](=O)[O-])[NH2+]C[C@H]1CCCCN1 ZINC000591578081 400541232 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20 5 DGBDMO C/C(=C\c1cccc([N+](=O)[O-])c1)C[N@@H+]1C[C@]2(C)COC[C@]2(C)C1 ZINC000597196374 400584273 /nfs/dbraw/zinc/58/42/73/400584273.db2.gz RXXVYIZNWRKXPH-MAMYYWIDSA-N 1 1 316.401 3.357 20 5 DGBDMO C/C(=C\c1ccccc1)C[N@@H+](C)CCn1c(C)ncc1[N+](=O)[O-] ZINC000602819765 400584453 /nfs/dbraw/zinc/58/44/53/400584453.db2.gz IJWKNLKJYNVKKH-SDNWHVSQSA-N 1 1 314.389 3.135 20 5 DGBDMO CC(C)c1ccc(C[N@@H+](C)CC2=CCCOC2)cc1[N+](=O)[O-] ZINC000597207267 400588291 /nfs/dbraw/zinc/58/82/91/400588291.db2.gz ZGAZOTDCPVOZIK-UHFFFAOYSA-N 1 1 304.390 3.497 20 5 DGBDMO O=[N+]([O-])c1ccc(N2CCC[C@H](c3[nH]cc[nH+]3)C2)c2ccncc21 ZINC000075721933 400608491 /nfs/dbraw/zinc/60/84/91/400608491.db2.gz RJLBVCPXGZXHHM-LBPRGKRZSA-N 1 1 323.356 3.250 20 5 DGBDMO Cc1ccc([N+](=O)[O-])c(C)c1NC(=O)[C@H](C)[N@@H+]1[C@H](C)CC[C@@H]1C ZINC000597665045 400658091 /nfs/dbraw/zinc/65/80/91/400658091.db2.gz DFKWWHJEHVRJSR-SCRDCRAPSA-N 1 1 319.405 3.411 20 5 DGBDMO CCC[N@@H+](C/C=C/c1ccccc1[N+](=O)[O-])[C@@H]1CCN(C)C1 ZINC000592521246 400662738 /nfs/dbraw/zinc/66/27/38/400662738.db2.gz YEZSRMNEVTUWJN-IQIBNGDESA-N 1 1 303.406 3.024 20 5 DGBDMO CCCN(C/C=C/c1ccccc1[N+](=O)[O-])[C@@H]1CC[N@H+](C)C1 ZINC000592521246 400662740 /nfs/dbraw/zinc/66/27/40/400662740.db2.gz YEZSRMNEVTUWJN-IQIBNGDESA-N 1 1 303.406 3.024 20 5 DGBDMO CCCN(C/C=C/c1ccccc1[N+](=O)[O-])[C@@H]1CC[N@@H+](C)C1 ZINC000592521246 400662743 /nfs/dbraw/zinc/66/27/43/400662743.db2.gz YEZSRMNEVTUWJN-IQIBNGDESA-N 1 1 303.406 3.024 20 5 DGBDMO CCC[N@@H+](C/C=C\c1ccccc1[N+](=O)[O-])[C@H]1CCN(C)C1 ZINC000592521245 400662769 /nfs/dbraw/zinc/66/27/69/400662769.db2.gz YEZSRMNEVTUWJN-IOBAAEILSA-N 1 1 303.406 3.024 20 5 DGBDMO CCCN(C/C=C\c1ccccc1[N+](=O)[O-])[C@H]1CC[N@H+](C)C1 ZINC000592521245 400662774 /nfs/dbraw/zinc/66/27/74/400662774.db2.gz YEZSRMNEVTUWJN-IOBAAEILSA-N 1 1 303.406 3.024 20 5 DGBDMO CCCN(C/C=C\c1ccccc1[N+](=O)[O-])[C@H]1CC[N@@H+](C)C1 ZINC000592521245 400662775 /nfs/dbraw/zinc/66/27/75/400662775.db2.gz YEZSRMNEVTUWJN-IOBAAEILSA-N 1 1 303.406 3.024 20 5 DGBDMO Cc1c([C@H](C)N[C@@H]2CC[N@H+](CC3CC3)C2)cccc1[N+](=O)[O-] ZINC000157711805 400720095 /nfs/dbraw/zinc/72/00/95/400720095.db2.gz JVZFLSIZQPVQHG-DZGCQCFKSA-N 1 1 303.406 3.038 20 5 DGBDMO Cc1c([C@H](C)N[C@@H]2CC[N@@H+](CC3CC3)C2)cccc1[N+](=O)[O-] ZINC000157711805 400720102 /nfs/dbraw/zinc/72/01/02/400720102.db2.gz JVZFLSIZQPVQHG-DZGCQCFKSA-N 1 1 303.406 3.038 20 5 DGBDMO O=[N+]([O-])c1ccc(C[N@@H+]2C[C@H]3CN(c4ccccc4)C[C@H]3C2)cc1 ZINC000603865099 400726101 /nfs/dbraw/zinc/72/61/01/400726101.db2.gz RMJXRTYJVORSOB-CALCHBBNSA-N 1 1 323.396 3.163 20 5 DGBDMO COC[C@H]1CCCC[N@@H+](C/C=C\c2ccccc2[N+](=O)[O-])C1 ZINC000613548309 400746910 /nfs/dbraw/zinc/74/69/10/400746910.db2.gz JHQJXCWZMSMKFV-AJHXJQRKSA-N 1 1 304.390 3.357 20 5 DGBDMO O=[N+]([O-])c1ccc2oc(C[NH+]3CCC4(CC4(F)F)CC3)nc2c1 ZINC000593073695 400753492 /nfs/dbraw/zinc/75/34/92/400753492.db2.gz WWOUJHHANKZZDH-UHFFFAOYSA-N 1 1 323.299 3.357 20 5 DGBDMO Cn1cc[nH+]c1C[C@H](Nc1ccc([N+](=O)[O-])nc1)c1ccccc1 ZINC000078558952 400809389 /nfs/dbraw/zinc/80/93/89/400809389.db2.gz QKZZCEAZZHCJGX-HNNXBMFYSA-N 1 1 323.356 3.119 20 5 DGBDMO O=[N+]([O-])c1ccc(NCC[N@H+]2CCc3ccccc3C2)s1 ZINC000604408826 400773753 /nfs/dbraw/zinc/77/37/53/400773753.db2.gz WRDVAEUVLRMZQF-UHFFFAOYSA-N 1 1 303.387 3.127 20 5 DGBDMO O=[N+]([O-])c1sccc1NCC[N@@H+]1CCc2ccccc2C1 ZINC000604432697 400775841 /nfs/dbraw/zinc/77/58/41/400775841.db2.gz RDIOVMURSCYRSW-UHFFFAOYSA-N 1 1 303.387 3.127 20 5 DGBDMO O=[N+]([O-])c1sccc1NCC[N@H+]1CCc2ccccc2C1 ZINC000604432697 400775844 /nfs/dbraw/zinc/77/58/44/400775844.db2.gz RDIOVMURSCYRSW-UHFFFAOYSA-N 1 1 303.387 3.127 20 5 DGBDMO CCC[N@H+](CC(=O)Nc1c(C)cccc1[N+](=O)[O-])CC(C)C ZINC000604492929 400780089 /nfs/dbraw/zinc/78/00/89/400780089.db2.gz YIVIFFROHSFKHP-UHFFFAOYSA-N 1 1 307.394 3.210 20 5 DGBDMO Cc1cccc(OCC[N@@H+](C)Cc2ccccc2[N+](=O)[O-])c1 ZINC000053420968 400783163 /nfs/dbraw/zinc/78/31/63/400783163.db2.gz CPKBRAYAEJBSHX-UHFFFAOYSA-N 1 1 300.358 3.414 20 5 DGBDMO Cc1cccc(OCC[N@H+](C)Cc2ccccc2[N+](=O)[O-])c1 ZINC000053420968 400783166 /nfs/dbraw/zinc/78/31/66/400783166.db2.gz CPKBRAYAEJBSHX-UHFFFAOYSA-N 1 1 300.358 3.414 20 5 DGBDMO C[C@@H](c1ccccc1)[N@H+]1CC[C@H](Nc2ncccc2[N+](=O)[O-])C1 ZINC000053580405 400792041 /nfs/dbraw/zinc/79/20/41/400792041.db2.gz QUGDLNITFXWOCS-ZFWWWQNUSA-N 1 1 312.373 3.237 20 5 DGBDMO CCC[N@H+]1CC[C@H](CNc2ccc([N+](=O)[O-])c3cnccc23)C1 ZINC000053583459 400792802 /nfs/dbraw/zinc/79/28/02/400792802.db2.gz MNDKGIUPWCMOBF-CYBMUJFWSA-N 1 1 314.389 3.287 20 5 DGBDMO COc1cc([N+](=O)[O-])ccc1C[NH2+][C@H](C)c1c(C)noc1C ZINC000619531703 400862833 /nfs/dbraw/zinc/86/28/33/400862833.db2.gz DJLYZYDXTDIJAF-SECBINFHSA-N 1 1 305.334 3.059 20 5 DGBDMO C[C@H]1C[C@@H](Nc2ccc3cnccc3c2[N+](=O)[O-])C[N@H+]1C1CC1 ZINC000599062852 400945057 /nfs/dbraw/zinc/94/50/57/400945057.db2.gz VPOBUDASBSSWSZ-WCQYABFASA-N 1 1 312.373 3.180 20 5 DGBDMO CC(C)[N@@H+](C)C[C@@H](C)Nc1ccc2cnccc2c1[N+](=O)[O-] ZINC000599085649 400955421 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CC(=O)c1cc(NC[C@@H]2CC[N@H+]2C2CCCC2)ccc1[N+](=O)[O-] ZINC000599163552 400981663 /nfs/dbraw/zinc/98/16/63/400981663.db2.gz DFWINHDLAZOPEA-HNNXBMFYSA-N 1 1 317.389 3.226 20 5 DGBDMO Cc1cnc(NC[C@H]2CC[N@H+]2C2CCCCC2)c([N+](=O)[O-])c1 ZINC000599128343 400970101 /nfs/dbraw/zinc/97/01/01/400970101.db2.gz XTWMTZJGIZVBNF-CQSZACIVSA-N 1 1 304.394 3.117 20 5 DGBDMO C[C@H](CCNc1ccc([N+](=O)[O-])nc1)[N@@H+](C)Cc1ccccc1 ZINC000080671625 400977628 /nfs/dbraw/zinc/97/76/28/400977628.db2.gz MBAMLSOCMRVBDO-CQSZACIVSA-N 1 1 314.389 3.312 20 5 DGBDMO C[C@@H]1C[N@@H+](Cc2ccc(F)cc2[N+](=O)[O-])C[C@H](C)C1(F)F ZINC000599514417 401064410 /nfs/dbraw/zinc/06/44/10/401064410.db2.gz HZQUACHQHOUCRW-AOOOYVTPSA-N 1 1 302.296 3.457 20 5 DGBDMO C[C@@H]1C[N@H+](Cc2ccc(F)cc2[N+](=O)[O-])C[C@H](C)C1(F)F ZINC000599514417 401064416 /nfs/dbraw/zinc/06/44/16/401064416.db2.gz HZQUACHQHOUCRW-AOOOYVTPSA-N 1 1 302.296 3.457 20 5 DGBDMO CC[C@H](CN[C@@H]1CCc2c1cccc2[N+](=O)[O-])[NH+]1CCCC1 ZINC000594493842 401077933 /nfs/dbraw/zinc/07/79/33/401077933.db2.gz NJXFDILRPXPGAQ-CZUORRHYSA-N 1 1 303.406 3.046 20 5 DGBDMO CC[C@H]1CCCC[N@H+]1CCC(=O)Nc1cc([N+](=O)[O-])ccc1C ZINC000060089763 401101214 /nfs/dbraw/zinc/10/12/14/401101214.db2.gz MFVGBVBPAKARCZ-AWEZNQCLSA-N 1 1 319.405 3.496 20 5 DGBDMO C[C@@H](C(=O)Nc1ccc([N+](=O)[O-])cc1)[N@H+]1CCCC2(CC2)CC1 ZINC000599672149 401108399 /nfs/dbraw/zinc/10/83/99/401108399.db2.gz BFKXPQDCKGTLMG-ZDUSSCGKSA-N 1 1 317.389 3.188 20 5 DGBDMO C[C@@H]1[C@H](C)SCC[N@@H+]1Cc1nc2cc([N+](=O)[O-])ccc2o1 ZINC000083199061 401114301 /nfs/dbraw/zinc/11/43/01/401114301.db2.gz BBIVWTMZYNGVEN-ZJUUUORDSA-N 1 1 307.375 3.062 20 5 DGBDMO C[C@@H]1[C@H](C)SCC[N@H+]1Cc1nc2cc([N+](=O)[O-])ccc2o1 ZINC000083199061 401114305 /nfs/dbraw/zinc/11/43/05/401114305.db2.gz BBIVWTMZYNGVEN-ZJUUUORDSA-N 1 1 307.375 3.062 20 5 DGBDMO C/C=C/C[C@@H]1CCC[N@H+](CC(=O)Nc2ccccc2[N+](=O)[O-])C1 ZINC000599688359 401116591 /nfs/dbraw/zinc/11/65/91/401116591.db2.gz DFQUSHYGTWIRML-BAABZTOOSA-N 1 1 317.389 3.212 20 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401151564 /nfs/dbraw/zinc/15/15/64/401151564.db2.gz IRWZGDYPMPOIDS-QGZVFWFLSA-N 1 1 322.405 3.255 20 5 DGBDMO CC[N@H+]1CCN(C/C(C)=C/c2cccc([N+](=O)[O-])c2)C[C@H]1C ZINC000615835316 401161475 /nfs/dbraw/zinc/16/14/75/401161475.db2.gz ISOVGUGJICBBAI-YVGNARHYSA-N 1 1 303.406 3.024 20 5 DGBDMO Cc1ccc([C@@H](C)[N@@H+](C)CCn2ccc([N+](=O)[O-])n2)c(C)c1 ZINC000358269922 286017086 /nfs/dbraw/zinc/01/70/86/286017086.db2.gz DECKWRMAGXMGKZ-CQSZACIVSA-N 1 1 302.378 3.101 20 5 DGBDMO CCC(O)(CC)C[N@@H+](C)C/C(C)=C/c1cccc([N+](=O)[O-])c1 ZINC000600215427 401224972 /nfs/dbraw/zinc/22/49/72/401224972.db2.gz KXJKOGJUGZFBPP-GXDHUFHOSA-N 1 1 306.406 3.481 20 5 DGBDMO COc1cccc2c1OCC[C@H]2[NH2+]Cc1ccccc1[N+](=O)[O-] ZINC000089512003 401225012 /nfs/dbraw/zinc/22/50/12/401225012.db2.gz AKHJVIANBHCQHZ-CQSZACIVSA-N 1 1 314.341 3.217 20 5 DGBDMO CCCC[N@@H+](CC(=O)Nc1c(C)cccc1[N+](=O)[O-])C1CC1 ZINC000063616136 401203638 /nfs/dbraw/zinc/20/36/38/401203638.db2.gz SEQMTVZAGXFKAJ-UHFFFAOYSA-N 1 1 305.378 3.106 20 5 DGBDMO COC[C@@H]([NH2+]Cc1cccc([N+](=O)[O-])c1)c1cccc(OC)c1 ZINC000594969403 401215007 /nfs/dbraw/zinc/21/50/07/401215007.db2.gz PFBYIRPCJYJJAD-QGZVFWFLSA-N 1 1 316.357 3.081 20 5 DGBDMO COc1cc([N+](=O)[O-])ccc1[C@H](C)[NH2+][C@@H](C)c1cccnc1 ZINC000595003635 401225947 /nfs/dbraw/zinc/22/59/47/401225947.db2.gz IZLDIRKMBYRMRN-RYUDHWBXSA-N 1 1 301.346 3.410 20 5 DGBDMO C[C@@H](C[NH+]1CCC(C)CC1)NC/C=C\c1ccccc1[N+](=O)[O-] ZINC000594978902 401218567 /nfs/dbraw/zinc/21/85/67/401218567.db2.gz CTMUMJWCZJQZMK-WRLNGNIRSA-N 1 1 317.433 3.318 20 5 DGBDMO COc1cc([N+](=O)[O-])ccc1[C@H](C)[NH2+]C[C@@H](CC(C)C)N(C)C ZINC000595005947 401227059 /nfs/dbraw/zinc/22/70/59/401227059.db2.gz CBTRJONRLKXPOU-DZGCQCFKSA-N 1 1 323.437 3.230 20 5 DGBDMO C[N@@H+](CCOc1ccc([N+](=O)[O-])cc1)Cc1ccc(F)cc1 ZINC000065208714 401261333 /nfs/dbraw/zinc/26/13/33/401261333.db2.gz BDAOZQJQYFTRLN-UHFFFAOYSA-N 1 1 304.321 3.245 20 5 DGBDMO O=[N+]([O-])c1ccc2oc(C[NH+]3CCC(C(F)F)CC3)nc2c1 ZINC000361688742 286714133 /nfs/dbraw/zinc/71/41/33/286714133.db2.gz CALVZLHBXURXNR-UHFFFAOYSA-N 1 1 311.288 3.213 20 5 DGBDMO C[C@@H]1CCC[N@H+](C(C)(C)CNc2ncc([N+](=O)[O-])cc2F)C1 ZINC000413113965 533677531 /nfs/dbraw/zinc/67/75/31/533677531.db2.gz LMELYMBVKIPZRN-LLVKDONJSA-N 1 1 310.373 3.051 20 5 DGBDMO C[N@H+]1CCC[C@@H]2CN(Cc3ccc(Cl)c([N+](=O)[O-])c3)CC[C@@H]21 ZINC000129100142 196019194 /nfs/dbraw/zinc/01/91/94/196019194.db2.gz QJVFIFZJCGUZOK-HIFRSBDPSA-N 1 1 323.824 3.164 20 5 DGBDMO CCC[N@@H+](CCC(=O)Nc1cc([N+](=O)[O-])ccc1C)C1CC1 ZINC000171680157 432160228 /nfs/dbraw/zinc/16/02/28/432160228.db2.gz BCFIEYTZZOACKZ-UHFFFAOYSA-N 1 1 305.378 3.106 20 5 DGBDMO CCC[N@@H+](CCC(=O)Nc1cccc([N+](=O)[O-])c1C)C1CC1 ZINC000171680168 432160244 /nfs/dbraw/zinc/16/02/44/432160244.db2.gz XHRJIKAUXAKQBK-UHFFFAOYSA-N 1 1 305.378 3.106 20 5 DGBDMO C[C@@H]1CSCC[N@H+](Cc2ccc(Cl)cc2[N+](=O)[O-])C1 ZINC000190439792 432157158 /nfs/dbraw/zinc/15/71/58/432157158.db2.gz HZIRHCFDRKHQPQ-JTQLQIEISA-N 1 1 300.811 3.433 20 5 DGBDMO C[C@@H]1CSCC[N@@H+](Cc2ccc(Cl)cc2[N+](=O)[O-])C1 ZINC000190439792 432157161 /nfs/dbraw/zinc/15/71/61/432157161.db2.gz HZIRHCFDRKHQPQ-JTQLQIEISA-N 1 1 300.811 3.433 20 5 DGBDMO CC[N@@H+](C)C[C@@H]1CCN(Cc2ccc([N+](=O)[O-])cc2Cl)C1 ZINC000182215614 432166333 /nfs/dbraw/zinc/16/63/33/432166333.db2.gz IDJOXALQGQSEKX-LBPRGKRZSA-N 1 1 311.813 3.022 20 5 DGBDMO C[C@H](c1ccccc1F)[N@@H+](C)C[C@H](O)c1cccc([N+](=O)[O-])c1 ZINC000136958560 432166799 /nfs/dbraw/zinc/16/67/99/432166799.db2.gz LOFYOUHKLYMPOB-PXAZEXFGSA-N 1 1 318.348 3.460 20 5 DGBDMO O=[N+]([O-])c1ccc(C[N@H+]2CC[C@@H]3OCCC[C@@H]3C2)c(Cl)c1 ZINC000182244905 432169313 /nfs/dbraw/zinc/16/93/13/432169313.db2.gz RZGGCDHYACOTKB-DOMZBBRYSA-N 1 1 310.781 3.249 20 5 DGBDMO C[N@H+](CCc1ccccn1)Cc1ccc([N+](=O)[O-])cc1Cl ZINC000182368890 432183845 /nfs/dbraw/zinc/18/38/45/432183845.db2.gz SLIKBUKFWZZEEM-UHFFFAOYSA-N 1 1 305.765 3.318 20 5 DGBDMO C[N@@H+](CCc1ccccn1)Cc1ccc([N+](=O)[O-])cc1Cl ZINC000182368890 432183847 /nfs/dbraw/zinc/18/38/47/432183847.db2.gz SLIKBUKFWZZEEM-UHFFFAOYSA-N 1 1 305.765 3.318 20 5 DGBDMO CCC1(CO)CC[NH+](Cc2ccc([N+](=O)[O-])cc2Cl)CC1 ZINC000182382244 432185030 /nfs/dbraw/zinc/18/50/30/432185030.db2.gz FMHSWHFUACLYJF-UHFFFAOYSA-N 1 1 312.797 3.233 20 5 DGBDMO C[C@@H](c1cccs1)[N@@H+](C)C[C@H](O)c1cccc([N+](=O)[O-])c1 ZINC000269671939 432195339 /nfs/dbraw/zinc/19/53/39/432195339.db2.gz OBZHBJJQJCDITN-FZMZJTMJSA-N 1 1 306.387 3.383 20 5 DGBDMO O=[N+]([O-])c1cccc([C@H](O)C[N@H+]2CCCc3ccccc3C2)c1 ZINC000269666324 432196150 /nfs/dbraw/zinc/19/61/50/432196150.db2.gz SEOPBMZPHZPRDT-GOSISDBHSA-N 1 1 312.369 3.077 20 5 DGBDMO C[N@H+](Cc1ccc(F)c(F)c1)C[C@@H](O)c1cccc([N+](=O)[O-])c1 ZINC000269687476 432196619 /nfs/dbraw/zinc/19/66/19/432196619.db2.gz TYPBNEBTLXALBS-MRXNPFEDSA-N 1 1 322.311 3.038 20 5 DGBDMO C[C@@H](C[N@H+]1CCC[C@@H](C)C1)N[C@@H](C)c1ccc([N+](=O)[O-])cc1 ZINC000247166717 432207876 /nfs/dbraw/zinc/20/78/76/432207876.db2.gz UKVGOHOFXIBDSJ-ILXRZTDVSA-N 1 1 305.422 3.366 20 5 DGBDMO C[C@@H](CN1CCC[C@@H](C)C1)[NH2+][C@@H](C)c1ccc([N+](=O)[O-])cc1 ZINC000247166717 432207878 /nfs/dbraw/zinc/20/78/78/432207878.db2.gz UKVGOHOFXIBDSJ-ILXRZTDVSA-N 1 1 305.422 3.366 20 5 DGBDMO CCC[N@@H+]1CC[C@H](CN[C@H](CC)c2cccc([N+](=O)[O-])c2)C1 ZINC000247147042 432205974 /nfs/dbraw/zinc/20/59/74/432205974.db2.gz SRMFLWRBHMRNAF-RHSMWYFYSA-N 1 1 305.422 3.367 20 5 DGBDMO CCC[N@H+]1CC[C@H](CN[C@H](CC)c2cccc([N+](=O)[O-])c2)C1 ZINC000247147042 432205979 /nfs/dbraw/zinc/20/59/79/432205979.db2.gz SRMFLWRBHMRNAF-RHSMWYFYSA-N 1 1 305.422 3.367 20 5 DGBDMO Cc1cc(NCC[N@@H+](C)C(C)C)c2cc([N+](=O)[O-])ccc2n1 ZINC000302181959 230147350 /nfs/dbraw/zinc/14/73/50/230147350.db2.gz OCTZBEQEIDKZSV-UHFFFAOYSA-N 1 1 302.378 3.204 20 5 DGBDMO Cc1cc(NCC[N@H+](C)C(C)C)c2cc([N+](=O)[O-])ccc2n1 ZINC000302181959 230147353 /nfs/dbraw/zinc/14/73/53/230147353.db2.gz OCTZBEQEIDKZSV-UHFFFAOYSA-N 1 1 302.378 3.204 20 5 DGBDMO O=[N+]([O-])c1ccc(NC[C@@H]2CCc3[nH+]ccn3C2)c2cccnc21 ZINC000413260375 230171063 /nfs/dbraw/zinc/17/10/63/230171063.db2.gz DZIIKMVHMBALJN-LBPRGKRZSA-N 1 1 323.356 3.014 20 5 DGBDMO CC(C)[N@@H+](CCOc1cccc([N+](=O)[O-])c1)Cc1ccco1 ZINC000346298652 264004815 /nfs/dbraw/zinc/00/48/15/264004815.db2.gz AIPBWCKTXVRGQU-UHFFFAOYSA-N 1 1 304.346 3.477 20 5 DGBDMO C[C@@H]([NH3+])[C@@H]1CCN(Cc2ccc(-c3cccc([N+](=O)[O-])c3)o2)C1 ZINC000346642586 264071036 /nfs/dbraw/zinc/07/10/36/264071036.db2.gz MQQNPTJDMCYPIC-TZMCWYRMSA-N 1 1 315.373 3.024 20 5 DGBDMO C[C@H]1C[C@@H](C[NH3+])CN1Cc1ccc(-c2ccccc2[N+](=O)[O-])o1 ZINC000346655334 264073480 /nfs/dbraw/zinc/07/34/80/264073480.db2.gz FZHZFZKHIAWYTO-STQMWFEESA-N 1 1 315.373 3.024 20 5 DGBDMO COc1ccc([N+](=O)[O-])cc1C[N@@H+]1CC[C@H](C(F)(F)F)[C@H]1C ZINC000348246609 264374037 /nfs/dbraw/zinc/37/40/37/264374037.db2.gz RGWKNMLEBLWFDV-SKDRFNHKSA-N 1 1 318.295 3.376 20 5 DGBDMO COc1ccc([N+](=O)[O-])cc1C[N@H+]1CC[C@H](C(F)(F)F)[C@H]1C ZINC000348246609 264374038 /nfs/dbraw/zinc/37/40/38/264374038.db2.gz RGWKNMLEBLWFDV-SKDRFNHKSA-N 1 1 318.295 3.376 20 5 DGBDMO O=[N+]([O-])c1cccc(-c2cnc(CC[N@H+]3CCC34CCC4)o2)c1 ZINC000348303102 264385279 /nfs/dbraw/zinc/38/52/79/264385279.db2.gz CRHZCOLNZRWANU-UHFFFAOYSA-N 1 1 313.357 3.421 20 5 DGBDMO O=[N+]([O-])c1cc2ccccc2nc1N[C@H]1CC[N@H+]2CCCC[C@@H]12 ZINC000352362530 265016571 /nfs/dbraw/zinc/01/65/71/265016571.db2.gz VYQLZVFRVKREQL-GJZGRUSLSA-N 1 1 312.373 3.182 20 5 DGBDMO CCC[N@@H+](CC)C[C@H](C)NC(=O)Nc1cccc([N+](=O)[O-])c1C ZINC000352405388 265035336 /nfs/dbraw/zinc/03/53/36/265035336.db2.gz ACDDUELSRWRXCP-LBPRGKRZSA-N 1 1 322.409 3.145 20 5 DGBDMO CN(CC[C@@H]1CCCC[N@H+]1C)Cc1ccc([N+](=O)[O-])cc1F ZINC000352609981 265103863 /nfs/dbraw/zinc/10/38/63/265103863.db2.gz XZTNJZNDIKZOCD-AWEZNQCLSA-N 1 1 309.385 3.040 20 5 DGBDMO CCO[C@@H]1C[C@@H]([N@@H+](C)Cc2ccc([N+](=O)[O-])cc2F)C1(C)C ZINC000352613843 265105721 /nfs/dbraw/zinc/10/57/21/265105721.db2.gz ZIWOMVTZYJCASD-HUUCEWRRSA-N 1 1 310.369 3.369 20 5 DGBDMO CC[N@H+]1CC[C@H](N(C)Cc2ccc([N+](=O)[O-])cc2F)C[C@@H]1C ZINC000352618706 265107861 /nfs/dbraw/zinc/10/78/61/265107861.db2.gz SSLXIDAWJQAHEZ-JSGCOSHPSA-N 1 1 309.385 3.039 20 5 DGBDMO CO[C@H]1[C@H]2[C@H]3C[C@@H]1C[C@H]3C[N@H+]2Cc1c(Cl)cccc1[N+](=O)[O-] ZINC000352682948 265127682 /nfs/dbraw/zinc/12/76/82/265127682.db2.gz RTXREWVTWGYXGH-SQXIKUFJSA-N 1 1 322.792 3.103 20 5 DGBDMO CO[C@H]1[C@H]2[C@H]3C[C@@H]1C[C@@H]3C[N@H+]2Cc1c(Cl)cccc1[N+](=O)[O-] ZINC000352682947 265128057 /nfs/dbraw/zinc/12/80/57/265128057.db2.gz RTXREWVTWGYXGH-DLFLCNGJSA-N 1 1 322.792 3.103 20 5 DGBDMO O=[N+]([O-])c1ccc2c(c1)C[N@@H+](CCc1ccccc1F)CCO2 ZINC000352707105 265136080 /nfs/dbraw/zinc/13/60/80/265136080.db2.gz QCINPVOGZHDIKB-UHFFFAOYSA-N 1 1 316.332 3.171 20 5 DGBDMO O=[N+]([O-])c1ccc2c(c1)C[N@H+](CCc1ccccc1F)CCO2 ZINC000352707105 265136084 /nfs/dbraw/zinc/13/60/84/265136084.db2.gz QCINPVOGZHDIKB-UHFFFAOYSA-N 1 1 316.332 3.171 20 5 DGBDMO CC(C)c1ccc(CN2CC[C@@H]3CC[N@@H+](C)C[C@@H]32)cc1[N+](=O)[O-] ZINC000353011379 265264326 /nfs/dbraw/zinc/26/43/26/265264326.db2.gz WSAYKPFNFGQBPS-YJBOKZPZSA-N 1 1 317.433 3.244 20 5 DGBDMO CCc1nnc(C[NH2+]C/C(C)=C/c2cccc([N+](=O)[O-])c2)s1 ZINC000353063684 265284401 /nfs/dbraw/zinc/28/44/01/265284401.db2.gz UYVCPVDPLQVKAX-YRNVUSSQSA-N 1 1 318.402 3.202 20 5 DGBDMO C[C@@H](Cc1ccc(Cl)cc1)[N@H+](C)Cc1c([N+](=O)[O-])ncn1C ZINC000355330430 266040395 /nfs/dbraw/zinc/04/03/95/266040395.db2.gz CUPZFJLLCFHZSG-NSHDSACASA-N 1 1 322.796 3.045 20 5 DGBDMO C[C@@H](Cc1ccc(Cl)cc1)[N@@H+](C)Cc1c([N+](=O)[O-])ncn1C ZINC000355330430 266040397 /nfs/dbraw/zinc/04/03/97/266040397.db2.gz CUPZFJLLCFHZSG-NSHDSACASA-N 1 1 322.796 3.045 20 5 DGBDMO Cc1ccccc1[C@H](C(C)C)[N@H+](C)Cc1c([N+](=O)[O-])ncn1C ZINC000355339848 266043170 /nfs/dbraw/zinc/04/31/70/266043170.db2.gz IJSFLSGERLXWAW-INIZCTEOSA-N 1 1 316.405 3.466 20 5 DGBDMO Cc1ccccc1[C@H](C(C)C)[N@@H+](C)Cc1c([N+](=O)[O-])ncn1C ZINC000355339848 266043172 /nfs/dbraw/zinc/04/31/72/266043172.db2.gz IJSFLSGERLXWAW-INIZCTEOSA-N 1 1 316.405 3.466 20 5 DGBDMO CC[N@@H+](CCC1CC1)Cc1cc(OC)c(OC)cc1[N+](=O)[O-] ZINC000355508234 266097875 /nfs/dbraw/zinc/09/78/75/266097875.db2.gz KCLPSNNNJILKKS-UHFFFAOYSA-N 1 1 308.378 3.234 20 5 DGBDMO COc1cc(C[N@H+]2CC[C@@H](C)C(C)(C)C2)c([N+](=O)[O-])cc1OC ZINC000355508489 266097983 /nfs/dbraw/zinc/09/79/83/266097983.db2.gz KUZFPDZRNKWXKL-GFCCVEGCSA-N 1 1 322.405 3.480 20 5 DGBDMO CSC1(C[N@H+]2CCOc3ccc([N+](=O)[O-])cc3C2)CCC1 ZINC000356518059 266415450 /nfs/dbraw/zinc/41/54/50/266415450.db2.gz GOBDNSXYGBCQPA-UHFFFAOYSA-N 1 1 308.403 3.075 20 5 DGBDMO O=C(C[NH+]1CCC2(CC2)CC1)Nc1ccc(Cl)cc1[N+](=O)[O-] ZINC000370269714 271348860 /nfs/dbraw/zinc/34/88/60/271348860.db2.gz FFHRWZYDNSKWPG-UHFFFAOYSA-N 1 1 323.780 3.063 20 5 DGBDMO C[C@@H](Cc1ccccc1[N+](=O)[O-])[NH2+]C1CC(N2CCCCC2)C1 ZINC000449296733 274231414 /nfs/dbraw/zinc/23/14/14/274231414.db2.gz CVWRYYBRXLPETA-OOHWJJMZSA-N 1 1 317.433 3.132 20 5 DGBDMO C[C@@H](Cc1ccccc1[N+](=O)[O-])NC1CC([NH+]2CCCCC2)C1 ZINC000449296733 274231416 /nfs/dbraw/zinc/23/14/16/274231416.db2.gz CVWRYYBRXLPETA-OOHWJJMZSA-N 1 1 317.433 3.132 20 5 DGBDMO O=[N+]([O-])c1ccc(CC[N@H+]2CCS[C@@H]3CCCC[C@H]32)cc1 ZINC000437541700 275035203 /nfs/dbraw/zinc/03/52/03/275035203.db2.gz XMWMXJROHSYCJC-HZPDHXFCSA-N 1 1 306.431 3.497 20 5 DGBDMO O=[N+]([O-])c1ccc(C[N@@H+]2CCSC[C@H]2C2CCC2)c(F)c1 ZINC000418124968 275035465 /nfs/dbraw/zinc/03/54/65/275035465.db2.gz IGGPKUNSIIGTDX-HNNXBMFYSA-N 1 1 310.394 3.451 20 5 DGBDMO O=[N+]([O-])c1ccc(C[N@H+]2CCSC[C@H]2C2CCC2)c(F)c1 ZINC000418124968 275035466 /nfs/dbraw/zinc/03/54/66/275035466.db2.gz IGGPKUNSIIGTDX-HNNXBMFYSA-N 1 1 310.394 3.451 20 5 DGBDMO O=[N+]([O-])c1ccc(N2CCC(c3[nH]cc[nH+]3)CC2)c2cccnc21 ZINC000413096889 275036008 /nfs/dbraw/zinc/03/60/08/275036008.db2.gz BQQKSLQVJQBFNE-UHFFFAOYSA-N 1 1 323.356 3.250 20 5 DGBDMO C[N@H+]1CCCC(C)(C)[C@H]1CNc1c2c(ccc1[N+](=O)[O-])NCC2 ZINC000447809907 277041518 /nfs/dbraw/zinc/04/15/18/277041518.db2.gz DTRLYPYUOIMILK-OAHLLOKOSA-N 1 1 318.421 3.095 20 5 DGBDMO C[N@H+]1CCN(Cc2ccc([N+](=O)[O-])cc2)[C@@H](c2ccccc2)C1 ZINC000248395631 277109193 /nfs/dbraw/zinc/10/91/93/277109193.db2.gz GITJXBOQRUDAQV-GOSISDBHSA-N 1 1 311.385 3.084 20 5 DGBDMO C[N@H+]1CCN(Cc2ccccc2[N+](=O)[O-])[C@@H](c2ccccc2)C1 ZINC000248402270 277109630 /nfs/dbraw/zinc/10/96/30/277109630.db2.gz MZRUUEKRKXNXTM-GOSISDBHSA-N 1 1 311.385 3.084 20 5 DGBDMO COc1cccc(N2CCC[N@H+](C3CCCC3)CC2)c1[N+](=O)[O-] ZINC000185453682 278015713 /nfs/dbraw/zinc/01/57/13/278015713.db2.gz LFPNBCOOBGJEKH-UHFFFAOYSA-N 1 1 319.405 3.058 20 5 DGBDMO CC1(C)CCC[N@@H+](CCC(=O)Nc2ccc([N+](=O)[O-])cc2)C1 ZINC000112702073 431298442 /nfs/dbraw/zinc/29/84/42/431298442.db2.gz KBAYINGFKXZOCA-UHFFFAOYSA-N 1 1 305.378 3.045 20 5 DGBDMO COc1ccc([N+](=O)[O-])cc1C[N@@H+](C)CCc1cccs1 ZINC000075966148 431508582 /nfs/dbraw/zinc/50/85/82/431508582.db2.gz MHQTZWDELLJBKS-UHFFFAOYSA-N 1 1 306.387 3.339 20 5 DGBDMO C[C@@H]1C[C@H](C)C[N@H+](Cc2nnc(-c3ccc([N+](=O)[O-])cc3)o2)C1 ZINC000014183658 431582224 /nfs/dbraw/zinc/58/22/24/431582224.db2.gz GJDZEXGSTOFGSS-TXEJJXNPSA-N 1 1 316.361 3.123 20 5 DGBDMO C[C@@H]1CCC[C@H]([N@@H+](C)Cc2cc([N+](=O)[O-])cc3c2OCOC3)C1 ZINC000026469763 431675597 /nfs/dbraw/zinc/67/55/97/431675597.db2.gz OTOKBEQAUUECMH-DOMZBBRYSA-N 1 1 320.389 3.472 20 5 DGBDMO C[N@@H+](CCCCCCO)Cc1cc([N+](=O)[O-])ccc1Cl ZINC000078686015 431698012 /nfs/dbraw/zinc/69/80/12/431698012.db2.gz QMENABUGEAIMHX-UHFFFAOYSA-N 1 1 300.786 3.233 20 5 DGBDMO CC[C@@H]1CCC[N@@H+](Cc2nnc(-c3ccc([N+](=O)[O-])cc3)o2)C1 ZINC000030142381 431732770 /nfs/dbraw/zinc/73/27/70/431732770.db2.gz VMAGBKRKNDDZPG-GFCCVEGCSA-N 1 1 316.361 3.267 20 5 DGBDMO CC[C@@H]1CCC[N@@H+](CCC(=O)Nc2cccc([N+](=O)[O-])c2C)C1 ZINC000030144599 431732911 /nfs/dbraw/zinc/73/29/11/431732911.db2.gz KJJIWQQERWLZRB-CQSZACIVSA-N 1 1 319.405 3.354 20 5 DGBDMO Cc1ccccc1OCC[N@H+](C)CCc1ccc([N+](=O)[O-])cc1 ZINC000034006787 431817079 /nfs/dbraw/zinc/81/70/79/431817079.db2.gz WYXXDHATCFEVGB-UHFFFAOYSA-N 1 1 314.385 3.457 20 5 DGBDMO CC[C@H]1CC[N@@H+](Cc2coc(-c3ccc([N+](=O)[O-])cc3)n2)C1 ZINC000089909376 431884414 /nfs/dbraw/zinc/88/44/14/431884414.db2.gz DRYPWNRHZHEBNG-LBPRGKRZSA-N 1 1 301.346 3.482 20 5 DGBDMO CC(C)c1ccc(C[N@@H+](C)C[C@H]2CCC[C@@H]2O)cc1[N+](=O)[O-] ZINC000091899424 431906411 /nfs/dbraw/zinc/90/64/11/431906411.db2.gz WSUWIYWDBGPOSP-PBHICJAKSA-N 1 1 306.406 3.311 20 5 DGBDMO COc1cc(C[N@@H+](C)[C@@H](C)C2(C)CC2)c([N+](=O)[O-])cc1OC ZINC000091900574 431906951 /nfs/dbraw/zinc/90/69/51/431906951.db2.gz BYIXWOXEFDDKEC-NSHDSACASA-N 1 1 308.378 3.232 20 5 DGBDMO C[C@@H](O)CC[N@@H+](C)Cc1ccc(-c2ccc([N+](=O)[O-])cc2)o1 ZINC000127665756 431977441 /nfs/dbraw/zinc/97/74/41/431977441.db2.gz XFKDZJVWJHPAKY-GFCCVEGCSA-N 1 1 304.346 3.058 20 5 DGBDMO Cc1cccc2nc(C[NH2+][C@@H](C)c3cccc([N+](=O)[O-])c3)cn21 ZINC000173405259 432275109 /nfs/dbraw/zinc/27/51/09/432275109.db2.gz DCZZZQKHFAAQKT-ZDUSSCGKSA-N 1 1 310.357 3.402 20 5 DGBDMO C[N@H+](Cc1ccc([N+](=O)[O-])cc1Cl)C[C@@H]1CCCC[C@H]1O ZINC000248405684 432286198 /nfs/dbraw/zinc/28/61/98/432286198.db2.gz ATTWOMBNNJKKNO-SWLSCSKDSA-N 1 1 312.797 3.231 20 5 DGBDMO O=[N+]([O-])c1ccc(C[N@H+]2CC[C@H]3OCCC[C@H]3C2)c(Cl)c1 ZINC000248436251 432291160 /nfs/dbraw/zinc/29/11/60/432291160.db2.gz RZGGCDHYACOTKB-SWLSCSKDSA-N 1 1 310.781 3.249 20 5 DGBDMO C[C@H](c1cccc([N+](=O)[O-])c1)[N@@H+]1CCC[C@@H]1c1cnn(C)c1 ZINC000173652868 432292897 /nfs/dbraw/zinc/29/28/97/432292897.db2.gz BUDYQSPDODVEFF-MLGOLLRUSA-N 1 1 300.362 3.226 20 5 DGBDMO C[C@H](c1cccc([N+](=O)[O-])c1)[N@H+]1CCC[C@@H]1c1cnn(C)c1 ZINC000173652868 432292900 /nfs/dbraw/zinc/29/29/00/432292900.db2.gz BUDYQSPDODVEFF-MLGOLLRUSA-N 1 1 300.362 3.226 20 5 DGBDMO Cc1cc([N+](=O)[O-])ccc1NC(=O)C[N@@H+]1CC[C@H](CC(C)C)C1 ZINC000174191598 432328080 /nfs/dbraw/zinc/32/80/80/432328080.db2.gz BBQTZGSWBMRLHD-CQSZACIVSA-N 1 1 319.405 3.210 20 5 DGBDMO C[C@@H](C[N@@H+](C)CCOc1ccccc1[N+](=O)[O-])c1nccs1 ZINC000183983236 432342638 /nfs/dbraw/zinc/34/26/38/432342638.db2.gz XVVMPGKQFFWAOP-LBPRGKRZSA-N 1 1 321.402 3.166 20 5 DGBDMO CC[C@H]1C[N@@H+](Cc2cc(=O)oc3ccc4ccccc4c23)C[C@@H]1O ZINC000270932692 432305434 /nfs/dbraw/zinc/30/54/34/432305434.db2.gz QJTLJEOQOUCSGF-GUYCJALGSA-N 1 1 323.392 3.149 20 5 DGBDMO Cc1nccn1CCC[N@H+](C)[C@H](C)c1ccccc1[N+](=O)[O-] ZINC000271004695 432313985 /nfs/dbraw/zinc/31/39/85/432313985.db2.gz KXVIMJYSQOFDSQ-CYBMUJFWSA-N 1 1 302.378 3.183 20 5 DGBDMO CCC[N@@H+]1CC[C@H](CN[C@@H]2CCCc3ccc([N+](=O)[O-])cc32)C1 ZINC000192720816 432405088 /nfs/dbraw/zinc/40/50/88/432405088.db2.gz ZVVNQBWJLWCNMK-RDTXWAMCSA-N 1 1 317.433 3.294 20 5 DGBDMO CCC[N@H+]1CC[C@H](CN[C@@H]2CCCc3ccc([N+](=O)[O-])cc32)C1 ZINC000192720816 432405092 /nfs/dbraw/zinc/40/50/92/432405092.db2.gz ZVVNQBWJLWCNMK-RDTXWAMCSA-N 1 1 317.433 3.294 20 5 DGBDMO C[C@H]1C[N@@H+](Cc2ccc(-c3ccc([N+](=O)[O-])cc3)o2)CC[C@H]1O ZINC000250131377 432365377 /nfs/dbraw/zinc/36/53/77/432365377.db2.gz XEXMEHOSGSGYLB-BLLLJJGKSA-N 1 1 316.357 3.058 20 5 DGBDMO CC[N@H+](CCN[C@@H]1CCCc2ccc([N+](=O)[O-])cc21)C1CC1 ZINC000192803325 432417436 /nfs/dbraw/zinc/41/74/36/432417436.db2.gz SAOJTHZSDRUAFP-QGZVFWFLSA-N 1 1 303.406 3.046 20 5 DGBDMO CC[N@@H+](CCN[C@@H]1CCCc2ccc([N+](=O)[O-])cc21)C1CC1 ZINC000192803325 432417439 /nfs/dbraw/zinc/41/74/39/432417439.db2.gz SAOJTHZSDRUAFP-QGZVFWFLSA-N 1 1 303.406 3.046 20 5 DGBDMO C[N@@H+](CCSc1ncccc1[N+](=O)[O-])Cc1ccccc1 ZINC000193744179 432495184 /nfs/dbraw/zinc/49/51/84/432495184.db2.gz INSNYVOOXQBPFN-UHFFFAOYSA-N 1 1 303.387 3.214 20 5 DGBDMO CC[C@@H]1[C@@H](C)CC[N@H+]1Cc1cc([N+](=O)[O-])cc2c1OCOC2 ZINC000185611040 432515556 /nfs/dbraw/zinc/51/55/56/432515556.db2.gz JKTHOIUMUNZHNB-XHDPSFHLSA-N 1 1 306.362 3.082 20 5 DGBDMO C[C@@H]([NH2+]Cc1csc([N+](=O)[O-])c1)[C@H](c1ccccc1)N(C)C ZINC000185676216 432522766 /nfs/dbraw/zinc/52/27/66/432522766.db2.gz IWDNEHLHLCVRNJ-MLGOLLRUSA-N 1 1 319.430 3.437 20 5 DGBDMO CC(C)CCC[NH2+][C@@H](c1nccn1C)c1ccc([N+](=O)[O-])cc1 ZINC000272574903 432525860 /nfs/dbraw/zinc/52/58/60/432525860.db2.gz WWDKOZHMMWPMSK-MRXNPFEDSA-N 1 1 316.405 3.444 20 5 DGBDMO CCOC(=O)[C@@]1(C(C)C)CC[N@@H+](Cc2ccc([N+](=O)[O-])cc2)C1 ZINC000194861802 432581995 /nfs/dbraw/zinc/58/19/95/432581995.db2.gz BRUSRZKPAONPOA-KRWDZBQOSA-N 1 1 320.389 3.006 20 5 DGBDMO C[C@@H](C1CC1)[N@@H+](C)Cc1cc([N+](=O)[O-])ccc1OC(F)F ZINC000158116960 432637869 /nfs/dbraw/zinc/63/78/69/432637869.db2.gz GGQRTECDWMDMQR-VIFPVBQESA-N 1 1 300.305 3.427 20 5 DGBDMO O=[N+]([O-])c1ccc(Cl)c(C[N@H+]2CC[C@@H]3OCCC[C@@H]3C2)c1 ZINC000177992886 432684096 /nfs/dbraw/zinc/68/40/96/432684096.db2.gz DEVOATOBVIVDKA-ABAIWWIYSA-N 1 1 310.781 3.249 20 5 DGBDMO O=[N+]([O-])c1ccc(C[N@H+](Cc2ccc(F)cn2)C2CC2)cc1 ZINC000276145709 432776285 /nfs/dbraw/zinc/77/62/85/432776285.db2.gz BIFBBDLRQNUYOI-UHFFFAOYSA-N 1 1 301.321 3.294 20 5 DGBDMO O=[N+]([O-])c1ccc(C[N@@H+](Cc2ccc(F)cn2)C2CC2)cc1 ZINC000276145709 432776289 /nfs/dbraw/zinc/77/62/89/432776289.db2.gz BIFBBDLRQNUYOI-UHFFFAOYSA-N 1 1 301.321 3.294 20 5 DGBDMO C[C@@H](C[N@H+]1CCC[C@@H](C)C1)N[C@@H](C)c1cccc([N+](=O)[O-])c1 ZINC000245455113 432833002 /nfs/dbraw/zinc/83/30/02/432833002.db2.gz HUHWILZLTOHHGR-ILXRZTDVSA-N 1 1 305.422 3.366 20 5 DGBDMO C[C@@H](CN1CCC[C@@H](C)C1)[NH2+][C@@H](C)c1cccc([N+](=O)[O-])c1 ZINC000245455113 432833004 /nfs/dbraw/zinc/83/30/04/432833004.db2.gz HUHWILZLTOHHGR-ILXRZTDVSA-N 1 1 305.422 3.366 20 5 DGBDMO CC(C)C[C@H]1CC[N@H+]([C@H](C)C(=O)Nc2ccccc2[N+](=O)[O-])C1 ZINC000245493703 432836572 /nfs/dbraw/zinc/83/65/72/432836572.db2.gz MAYYXNFPFDTYKU-ZIAGYGMSSA-N 1 1 319.405 3.290 20 5 DGBDMO CCSc1cc(C[NH2+]Cc2csc([N+](=O)[O-])c2)ccn1 ZINC000189593978 432801839 /nfs/dbraw/zinc/80/18/39/432801839.db2.gz DJMABQSYBJGKDO-UHFFFAOYSA-N 1 1 309.416 3.453 20 5 DGBDMO C[C@@H](c1ccccc1)[N@@H+](CCn1ccc([N+](=O)[O-])n1)C1CC1 ZINC000267048350 432809606 /nfs/dbraw/zinc/80/96/06/432809606.db2.gz FTISQBDEEQOYHL-ZDUSSCGKSA-N 1 1 300.362 3.017 20 5 DGBDMO C[C@H](c1ccccc1)[N@@H+](CCn1ccc([N+](=O)[O-])n1)C1CC1 ZINC000267048345 432809775 /nfs/dbraw/zinc/80/97/75/432809775.db2.gz FTISQBDEEQOYHL-CYBMUJFWSA-N 1 1 300.362 3.017 20 5 DGBDMO Cc1c(NC(=O)CC[N@@H+]2CC[C@H](C)[C@@H](C)C2)cccc1[N+](=O)[O-] ZINC000245917701 432870457 /nfs/dbraw/zinc/87/04/57/432870457.db2.gz NKFANDNQQBTCIX-STQMWFEESA-N 1 1 319.405 3.210 20 5 DGBDMO CC(C)c1ccc(CN[C@H]2CC[N@@H+](C)[C@@H](C)C2)cc1[N+](=O)[O-] ZINC000330680312 432924986 /nfs/dbraw/zinc/92/49/86/432924986.db2.gz YKDGLYRCUKRESL-ZFWWWQNUSA-N 1 1 305.422 3.291 20 5 DGBDMO CC(C)c1ccc(C[NH2+][C@H]2CCN(C)[C@@H](C)C2)cc1[N+](=O)[O-] ZINC000330680312 432924989 /nfs/dbraw/zinc/92/49/89/432924989.db2.gz YKDGLYRCUKRESL-ZFWWWQNUSA-N 1 1 305.422 3.291 20 5 DGBDMO Cc1ccc([C@H](C)[NH2+][C@@H]2C[C@H](C)n3ccnc32)cc1[N+](=O)[O-] ZINC000296698974 432925300 /nfs/dbraw/zinc/92/53/00/432925300.db2.gz HORQZAPXTMRBTK-SGMGOOAPSA-N 1 1 300.362 3.456 20 5 DGBDMO Cc1ccc([C@H](C)[NH2+][C@@H]2C[C@@H](C)n3ccnc32)cc1[N+](=O)[O-] ZINC000296698968 432925375 /nfs/dbraw/zinc/92/53/75/432925375.db2.gz HORQZAPXTMRBTK-MBNYWOFBSA-N 1 1 300.362 3.456 20 5 DGBDMO C[C@@H](O)[C@H]1C[C@H](C)CC[N@H+]1Cc1ccc(Cl)cc1[N+](=O)[O-] ZINC000331275942 432938079 /nfs/dbraw/zinc/93/80/79/432938079.db2.gz FKPSNMIRQFIFKV-JTNHKYCSSA-N 1 1 312.797 3.230 20 5 DGBDMO O=[N+]([O-])c1ccc(N[C@H]2CC[N@@H+](CCC3CCCC3)C2)nc1 ZINC000331523100 432946892 /nfs/dbraw/zinc/94/68/92/432946892.db2.gz ZJQNALQJPDWLFQ-AWEZNQCLSA-N 1 1 304.394 3.056 20 5 DGBDMO C[C@@H]1C[C@@H](c2ccccc2)[C@H](C)[N@H+]1CCn1cc([N+](=O)[O-])cn1 ZINC000296554348 432921839 /nfs/dbraw/zinc/92/18/39/432921839.db2.gz CBWXHOZJDUHJRO-JKIFEVAISA-N 1 1 314.389 3.058 20 5 DGBDMO COCCC[N@H+](Cc1ccncc1)Cc1ccccc1[N+](=O)[O-] ZINC000289480484 432965966 /nfs/dbraw/zinc/96/59/66/432965966.db2.gz QMDKYBRGJZVECB-UHFFFAOYSA-N 1 1 315.373 3.029 20 5 DGBDMO COCCC[N@@H+](Cc1ccncc1)Cc1ccccc1[N+](=O)[O-] ZINC000289480484 432965970 /nfs/dbraw/zinc/96/59/70/432965970.db2.gz QMDKYBRGJZVECB-UHFFFAOYSA-N 1 1 315.373 3.029 20 5 DGBDMO C[C@@H]1C[N@@H+](Cc2nnc(-c3ccc([N+](=O)[O-])cc3)o2)C(C)(C)C1 ZINC000332137454 432977832 /nfs/dbraw/zinc/97/78/32/432977832.db2.gz OXUPHKUXEPXJQP-NSHDSACASA-N 1 1 316.361 3.265 20 5 DGBDMO C[C@H](O)CC[N@H+](C)Cc1cc(Cl)cc(Cl)c1[N+](=O)[O-] ZINC000290060448 432986779 /nfs/dbraw/zinc/98/67/79/432986779.db2.gz SMIHIDBEQBBTRR-QMMMGPOBSA-N 1 1 307.177 3.104 20 5 DGBDMO C[C@H](O)CC[N@@H+](C)Cc1cc(Cl)cc(Cl)c1[N+](=O)[O-] ZINC000290060448 432986782 /nfs/dbraw/zinc/98/67/82/432986782.db2.gz SMIHIDBEQBBTRR-QMMMGPOBSA-N 1 1 307.177 3.104 20 5 DGBDMO CC(C)[C@H]1CCCC[N@H+]1Cc1nc2cc([N+](=O)[O-])ccc2[nH]1 ZINC000332231563 432989072 /nfs/dbraw/zinc/98/90/72/432989072.db2.gz MECAACSGYSBAEJ-OAHLLOKOSA-N 1 1 302.378 3.482 20 5 DGBDMO O=[N+]([O-])c1ccc(CC[N@H+]2CCC=C(c3cccnc3)C2)cc1 ZINC000289436857 432959894 /nfs/dbraw/zinc/95/98/94/432959894.db2.gz WEAYQPZNRWVNLG-UHFFFAOYSA-N 1 1 309.369 3.322 20 5 DGBDMO C[C@H](c1cccc([N+](=O)[O-])c1)[N@H+]1CCC[C@H](c2ccnn2C)C1 ZINC000332377460 433002906 /nfs/dbraw/zinc/00/29/06/433002906.db2.gz YAQFJSCKOOTCSN-HIFRSBDPSA-N 1 1 314.389 3.269 20 5 DGBDMO CN(C)C[C@@H]([NH2+]Cc1cccc([N+](=O)[O-])c1)c1ccc(F)cc1 ZINC000290241641 433018257 /nfs/dbraw/zinc/01/82/57/433018257.db2.gz ZORMYBXCMDIJQW-QGZVFWFLSA-N 1 1 317.364 3.126 20 5 DGBDMO CC[N@@H+](CCOC)Cc1ccc(-c2cccc([N+](=O)[O-])c2)o1 ZINC000349861581 433025047 /nfs/dbraw/zinc/02/50/47/433025047.db2.gz PTZGUIAJLREHIK-UHFFFAOYSA-N 1 1 304.346 3.323 20 5 DGBDMO O=[N+]([O-])c1cccc(C[NH2+][C@@H]2CCOc3c(F)cccc32)c1 ZINC000372899200 433057326 /nfs/dbraw/zinc/05/73/26/433057326.db2.gz YQBAZFREDSILEG-OAHLLOKOSA-N 1 1 302.305 3.347 20 5 DGBDMO CCO[C@@H]1C[C@@H]([N@@H+](C)Cc2cc([N+](=O)[O-])ccc2OC)C1(C)C ZINC000354458611 433094461 /nfs/dbraw/zinc/09/44/61/433094461.db2.gz QGYWFENSUBZDBX-HZPDHXFCSA-N 1 1 322.405 3.239 20 5 DGBDMO C[C@H](c1ccccc1)[N@H+]1CC[C@@H](Nc2ncccc2[N+](=O)[O-])C1 ZINC000350279728 433127000 /nfs/dbraw/zinc/12/70/00/433127000.db2.gz QUGDLNITFXWOCS-UKRRQHHQSA-N 1 1 312.373 3.237 20 5 DGBDMO Cc1c([C@H](C)NCC[N@H+]2CCCC2(C)C)cccc1[N+](=O)[O-] ZINC000453388781 433143601 /nfs/dbraw/zinc/14/36/01/433143601.db2.gz FYGPQQYULNAYIO-AWEZNQCLSA-N 1 1 305.422 3.428 20 5 DGBDMO Cc1c([C@H](C)[NH2+]CCN2CCCC2(C)C)cccc1[N+](=O)[O-] ZINC000453388781 433143612 /nfs/dbraw/zinc/14/36/12/433143612.db2.gz FYGPQQYULNAYIO-AWEZNQCLSA-N 1 1 305.422 3.428 20 5 DGBDMO COC(=O)c1ccc([C@@H](C)[NH2+][C@@H](C)c2cccc([N+](=O)[O-])c2)o1 ZINC000341585779 433149502 /nfs/dbraw/zinc/14/95/02/433149502.db2.gz LIXPOEBPPMXWBW-WDEREUQCSA-N 1 1 318.329 3.386 20 5 DGBDMO COC(=O)c1ccc([C@H](C)[NH2+][C@@H](C)c2cccc([N+](=O)[O-])c2)o1 ZINC000341585778 433150790 /nfs/dbraw/zinc/15/07/90/433150790.db2.gz LIXPOEBPPMXWBW-QWRGUYRKSA-N 1 1 318.329 3.386 20 5 DGBDMO Cc1ccc(NCc2cn(C)nc2-c2ccc([N+](=O)[O-])cc2)[nH+]c1 ZINC000157461689 292746382 /nfs/dbraw/zinc/74/63/82/292746382.db2.gz BCUWBBIQTFHZAX-UHFFFAOYSA-N 1 1 323.356 3.311 20 5 DGBDMO C[C@H]1CCCC[N@H+]1Cc1nnc(-c2ccc([N+](=O)[O-])cc2)o1 ZINC000298665232 433209517 /nfs/dbraw/zinc/20/95/17/433209517.db2.gz LRRWCNIWPXTDAK-NSHDSACASA-N 1 1 302.334 3.019 20 5 DGBDMO CC[N@@H+](CCC(=O)Nc1ccc([N+](=O)[O-])cc1C)CC1CCC1 ZINC000361483290 433203341 /nfs/dbraw/zinc/20/33/41/433203341.db2.gz CWYPVGYIZOYADJ-UHFFFAOYSA-N 1 1 319.405 3.354 20 5 DGBDMO C[N@H+]1CCCC12CCN(Cc1ccc(Cl)cc1[N+](=O)[O-])CC2 ZINC000374592508 433229129 /nfs/dbraw/zinc/22/91/29/433229129.db2.gz HDOBTILYJNTBCG-UHFFFAOYSA-N 1 1 323.824 3.308 20 5 DGBDMO Cn1nccc1C1=C[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccc([N+](=O)[O-])cc1 ZINC000374669393 433253681 /nfs/dbraw/zinc/25/36/81/433253681.db2.gz BWINSIVRUVXRAG-SJORKVTESA-N 1 1 324.384 3.149 20 5 DGBDMO C[C@@H]1[C@@H](Nc2ccc([N+](=O)[O-])c3ncccc23)CCC[N@H+]1C ZINC000413232636 433266782 /nfs/dbraw/zinc/26/67/82/433266782.db2.gz CMMQCLXXZSYKHS-YPMHNXCESA-N 1 1 300.362 3.038 20 5 DGBDMO Cc1ccc(CNC[C@@H]2[N@H+](C)CCCC2(C)C)cc1[N+](=O)[O-] ZINC000447903674 433319744 /nfs/dbraw/zinc/31/97/44/433319744.db2.gz NXRKUCXNKAHXHY-INIZCTEOSA-N 1 1 305.422 3.113 20 5 DGBDMO Cc1ccc(CNC[C@@H]2[N@@H+](C)CCCC2(C)C)cc1[N+](=O)[O-] ZINC000447903674 433319751 /nfs/dbraw/zinc/31/97/51/433319751.db2.gz NXRKUCXNKAHXHY-INIZCTEOSA-N 1 1 305.422 3.113 20 5 DGBDMO C[N@@H+]1CCCC(C)(C)[C@H]1CNC/C=C\c1ccccc1[N+](=O)[O-] ZINC000447906289 433320405 /nfs/dbraw/zinc/32/04/05/433320405.db2.gz XAVBVDLJAXVVLP-UXHZXRBQSA-N 1 1 317.433 3.318 20 5 DGBDMO C[N@H+]1CCCC(C)(C)[C@H]1CNC/C=C\c1ccccc1[N+](=O)[O-] ZINC000447906289 433320416 /nfs/dbraw/zinc/32/04/16/433320416.db2.gz XAVBVDLJAXVVLP-UXHZXRBQSA-N 1 1 317.433 3.318 20 5 DGBDMO COCc1cc([N+](=O)[O-])ccc1NC[C@H]1[N@@H+](C)CCCC1(C)C ZINC000447811849 433287556 /nfs/dbraw/zinc/28/75/56/433287556.db2.gz PHHKJRCMJCISRH-MRXNPFEDSA-N 1 1 321.421 3.274 20 5 DGBDMO CC(C)([NH2+]Cc1cccc2c1OCO2)c1ccccc1[N+](=O)[O-] ZINC000291789261 433355027 /nfs/dbraw/zinc/35/50/27/433355027.db2.gz VXSGXWOTNYPFRS-UHFFFAOYSA-N 1 1 314.341 3.348 20 5 DGBDMO CC(C)[C@@H]1[N@@H+](C[C@H](O)c2cccc([N+](=O)[O-])c2)CC12CCC2 ZINC000291887339 433382273 /nfs/dbraw/zinc/38/22/73/433382273.db2.gz JFCLXBDLMQPYPM-HOTGVXAUSA-N 1 1 304.390 3.139 20 5 DGBDMO Cc1ccc([N+](=O)[O-])cc1[C@H](C)[N@H+]1CCC[C@@H](CCO)CC1 ZINC000421025025 433389603 /nfs/dbraw/zinc/38/96/03/433389603.db2.gz XXKBSCWRLIMAHG-LSDHHAIUSA-N 1 1 306.406 3.449 20 5 DGBDMO Cc1cccc([N+](=O)[O-])c1NCC[N@@H+]1CCc2sccc2C1 ZINC000301203326 433452647 /nfs/dbraw/zinc/45/26/47/433452647.db2.gz XPNQCIQTSPHPRG-UHFFFAOYSA-N 1 1 317.414 3.435 20 5 DGBDMO Cc1cccc([N+](=O)[O-])c1NCC[N@H+]1CCc2sccc2C1 ZINC000301203326 433452655 /nfs/dbraw/zinc/45/26/55/433452655.db2.gz XPNQCIQTSPHPRG-UHFFFAOYSA-N 1 1 317.414 3.435 20 5 DGBDMO COc1cc(C[N@H+]2CC[C@H](C)C[C@H](C)C2)c([N+](=O)[O-])cc1OC ZINC000355105480 433465156 /nfs/dbraw/zinc/46/51/56/433465156.db2.gz HYWPTTSWAOHYSW-STQMWFEESA-N 1 1 322.405 3.480 20 5 DGBDMO C[C@@H](CNc1ncc([N+](=O)[O-])cc1Cl)[N@H+]1CCC[C@@H](C)C1 ZINC000301254431 433471315 /nfs/dbraw/zinc/47/13/15/433471315.db2.gz CRDDYLGKLKGPLY-MNOVXSKESA-N 1 1 312.801 3.176 20 5 DGBDMO C[C@H](CNc1ncc([N+](=O)[O-])cc1Cl)[N@H+]1CCC[C@H](C)C1 ZINC000301254433 433471425 /nfs/dbraw/zinc/47/14/25/433471425.db2.gz CRDDYLGKLKGPLY-WDEREUQCSA-N 1 1 312.801 3.176 20 5 DGBDMO O=[N+]([O-])c1ccc(-c2nnc(C[N@H+]3CC[C@@H]4CCC[C@@H]43)o2)cc1 ZINC000426468141 433508767 /nfs/dbraw/zinc/50/87/67/433508767.db2.gz FBGDYVIXTZCLQE-FZMZJTMJSA-N 1 1 314.345 3.019 20 5 DGBDMO COCC[N@H+](Cc1c(F)cccc1[N+](=O)[O-])[C@@H]1CC[C@H](C)C1 ZINC000362169248 433560151 /nfs/dbraw/zinc/56/01/51/433560151.db2.gz FUPODKKGFXEYNJ-QWHCGFSZSA-N 1 1 310.369 3.371 20 5 DGBDMO COCC[N@@H+](Cc1c(F)cccc1[N+](=O)[O-])[C@@H]1CC[C@H](C)C1 ZINC000362169248 433560159 /nfs/dbraw/zinc/56/01/59/433560159.db2.gz FUPODKKGFXEYNJ-QWHCGFSZSA-N 1 1 310.369 3.371 20 5 DGBDMO COCc1cc([N+](=O)[O-])ccc1NC[C@H](C)[N@H+]1CCC[C@@H](C)C1 ZINC000301446862 433562094 /nfs/dbraw/zinc/56/20/94/433562094.db2.gz QHLQBGQPGIFXJM-KGLIPLIRSA-N 1 1 321.421 3.274 20 5 DGBDMO CCOc1cc(NCC[N@H+]2CCC[C@H](C)C2)ccc1[N+](=O)[O-] ZINC000301502511 433582851 /nfs/dbraw/zinc/58/28/51/433582851.db2.gz FMVJWPZDMAFLDL-ZDUSSCGKSA-N 1 1 307.394 3.137 20 5 DGBDMO Cc1cc(NCCC[N@@H+]2C[C@H](C)C[C@H](C)C2)ncc1[N+](=O)[O-] ZINC000301412781 433542941 /nfs/dbraw/zinc/54/29/41/433542941.db2.gz AHGKHNDMCNWRJO-BETUJISGSA-N 1 1 306.410 3.078 20 5 DGBDMO C[C@@H](C[N@@H+](C)Cc1ccc([N+](=O)[O-])c(F)c1)c1nccs1 ZINC000283067045 433655952 /nfs/dbraw/zinc/65/59/52/433655952.db2.gz JWAFZXLHCMQDDR-JTQLQIEISA-N 1 1 309.366 3.426 20 5 DGBDMO Cc1cc(N2CC[C@@H]3[C@@H](CCC[N@H+]3C3CC3)C2)ccc1[N+](=O)[O-] ZINC000301749451 433709164 /nfs/dbraw/zinc/70/91/64/433709164.db2.gz AABGDJANBDIUHR-KBXCAEBGSA-N 1 1 315.417 3.356 20 5 DGBDMO C[C@@H]1CC[N@@H+](CCC(=O)Nc2ccccc2[N+](=O)[O-])[C@H](C)C1 ZINC000283376465 433712376 /nfs/dbraw/zinc/71/23/76/433712376.db2.gz SORDXVIWNVECEB-CHWSQXEVSA-N 1 1 305.378 3.044 20 5 DGBDMO COc1ccc([N+](=O)[O-])cc1C[N@H+]1CC[C@H](c2ccco2)C1 ZINC000374009370 293342199 /nfs/dbraw/zinc/34/21/99/293342199.db2.gz XYIDHGYTFYJZAE-LBPRGKRZSA-N 1 1 302.330 3.186 20 5 DGBDMO Cc1cc(NC[C@@H]2CCC[N@H+](CC(C)C)C2)ncc1[N+](=O)[O-] ZINC000301781690 433721184 /nfs/dbraw/zinc/72/11/84/433721184.db2.gz NIOAPHJYJVKRIJ-AWEZNQCLSA-N 1 1 306.410 3.078 20 5 DGBDMO O=[N+]([O-])c1ccc2[nH]c(C[N@H+]3CC[C@H](CC4CC4)C3)nc2c1 ZINC000339682735 433730793 /nfs/dbraw/zinc/73/07/93/433730793.db2.gz LIIURTIFVSGYPP-GFCCVEGCSA-N 1 1 300.362 3.093 20 5 DGBDMO Cc1ccc(C[N@H+]2CCC[C@@H]2[C@H]2CCC[C@H]2O)cc1[N+](=O)[O-] ZINC000449463812 433747647 /nfs/dbraw/zinc/74/76/47/433747647.db2.gz WXXXCULGNXIGJX-BFYDXBDKSA-N 1 1 304.390 3.029 20 5 DGBDMO CC(C)[N@@H+](C)CCNc1ccc([N+](=O)[O-])c(-c2ccccc2)n1 ZINC000301875943 433772203 /nfs/dbraw/zinc/77/22/03/433772203.db2.gz RXBRNTOTGHCZGY-UHFFFAOYSA-N 1 1 314.389 3.409 20 5 DGBDMO O=[N+]([O-])c1cccc(OCC[N@H+]2CC=C(C(F)(F)F)CC2)c1 ZINC000339827444 433807907 /nfs/dbraw/zinc/80/79/07/433807907.db2.gz QBRIYASAAVGONZ-UHFFFAOYSA-N 1 1 316.279 3.168 20 5 DGBDMO O=[N+]([O-])c1cccc(OCC[N@@H+]2CC=C(C(F)(F)F)CC2)c1 ZINC000339827444 433807913 /nfs/dbraw/zinc/80/79/13/433807913.db2.gz QBRIYASAAVGONZ-UHFFFAOYSA-N 1 1 316.279 3.168 20 5 DGBDMO C[C@@H](C1CC1)[N@@H+](Cc1ccc([N+](=O)[O-])cc1[N+](=O)[O-])C1CC1 ZINC000284044387 433822436 /nfs/dbraw/zinc/82/24/36/433822436.db2.gz JDZXTRJSZROHFS-JTQLQIEISA-N 1 1 305.334 3.266 20 5 DGBDMO COC[C@@H]([NH2+][C@H](C)c1ccc(N)c([N+](=O)[O-])c1)c1ccc(C)o1 ZINC000284090921 433833377 /nfs/dbraw/zinc/83/33/77/433833377.db2.gz MGJATTAUJXPBBP-BXUZGUMPSA-N 1 1 319.361 3.117 20 5 DGBDMO Cc1cc(N2CCC[C@@H]3C[N@@H+](C)CC[C@H]32)c(Cl)cc1[N+](=O)[O-] ZINC000302715834 433835894 /nfs/dbraw/zinc/83/58/94/433835894.db2.gz FUOFKWOPRBALDJ-TZMCWYRMSA-N 1 1 323.824 3.477 20 5 DGBDMO CC[N@H+]1C[C@@H](C)N(c2ccc3cc([N+](=O)[O-])ccc3n2)C[C@@H]1C ZINC000345189565 433901992 /nfs/dbraw/zinc/90/19/92/433901992.db2.gz KNGSRDWXCIRLGY-QWHCGFSZSA-N 1 1 314.389 3.062 20 5 DGBDMO Cc1cnc(NCCC[N@H+](C)Cc2ccccc2)c([N+](=O)[O-])c1 ZINC000303219346 433923937 /nfs/dbraw/zinc/92/39/37/433923937.db2.gz BOJJDRBVCYOQHQ-UHFFFAOYSA-N 1 1 314.389 3.232 20 5 DGBDMO O=[N+]([O-])c1ccc2[nH]c(C[NH2+]Cc3cccc(Cl)c3)nc2c1 ZINC000352118900 433925775 /nfs/dbraw/zinc/92/57/75/433925775.db2.gz WEHTTZQQWKYCKN-UHFFFAOYSA-N 1 1 316.748 3.414 20 5 DGBDMO CC(C)c1ccc(CN[C@H](C)[C@H]2CCC[NH2+]C2)cc1[N+](=O)[O-] ZINC000414864456 433892841 /nfs/dbraw/zinc/89/28/41/433892841.db2.gz YPVMELXUKJJOOX-HIFRSBDPSA-N 1 1 305.422 3.196 20 5 DGBDMO C[C@H]1SCC[N@@H+](CCCOc2ccc([N+](=O)[O-])cc2)[C@@H]1C ZINC000303725663 433963061 /nfs/dbraw/zinc/96/30/61/433963061.db2.gz STHFZFAPKNDQHH-CHWSQXEVSA-N 1 1 310.419 3.190 20 5 DGBDMO Cc1ccccc1C[N@H+](C)Cc1nc2cc([N+](=O)[O-])ccc2[nH]1 ZINC000352196287 433970658 /nfs/dbraw/zinc/97/06/58/433970658.db2.gz XXIBZNJCTGJMSP-UHFFFAOYSA-N 1 1 310.357 3.412 20 5 DGBDMO Cc1ccccc1C[N@@H+](C)Cc1nc2cc([N+](=O)[O-])ccc2[nH]1 ZINC000352196287 433970668 /nfs/dbraw/zinc/97/06/68/433970668.db2.gz XXIBZNJCTGJMSP-UHFFFAOYSA-N 1 1 310.357 3.412 20 5 DGBDMO C[C@@H]1CC[C@H](C)[N@@H+]1[C@H]1CCCN(Cc2ccc([N+](=O)[O-])cc2)C1 ZINC000352298621 434030268 /nfs/dbraw/zinc/03/02/68/434030268.db2.gz ZOCPRQXFYIMQJQ-DAYGRLMNSA-N 1 1 317.433 3.432 20 5 DGBDMO O=[N+]([O-])c1cc(Cl)ccc1C[N@H+]1CCC2(C1)CCOCC2 ZINC000377897160 434030381 /nfs/dbraw/zinc/03/03/81/434030381.db2.gz AYGVJVYMIQQJEA-UHFFFAOYSA-N 1 1 310.781 3.251 20 5 DGBDMO CC[C@@H]([NH2+]Cc1cnccc1OC)c1cccc([N+](=O)[O-])c1 ZINC000340402354 434110354 /nfs/dbraw/zinc/11/03/54/434110354.db2.gz DPZFJMAIFCVYJF-OAHLLOKOSA-N 1 1 301.346 3.239 20 5 DGBDMO Cc1nc(C[NH3+])ccc1[C@@H](C)N[C@@H](C)c1cccc([N+](=O)[O-])c1 ZINC000422937385 434121357 /nfs/dbraw/zinc/12/13/57/434121357.db2.gz GINJJSNLFGEZFC-NWDGAFQWSA-N 1 1 314.389 3.169 20 5 DGBDMO C[C@H]1CCC[N@H+](Cc2cc([N+](=O)[O-])ccc2OC(F)F)C1 ZINC000505314547 294234043 /nfs/dbraw/zinc/23/40/43/294234043.db2.gz ORMZYOGGMCATQV-JTQLQIEISA-N 1 1 300.305 3.428 20 5 DGBDMO C[C@H]1CCC[N@@H+](Cc2cc([N+](=O)[O-])ccc2OC(F)F)C1 ZINC000505314547 294234045 /nfs/dbraw/zinc/23/40/45/294234045.db2.gz ORMZYOGGMCATQV-JTQLQIEISA-N 1 1 300.305 3.428 20 5 DGBDMO O=[N+]([O-])c1ccc(C[N@H+]2CC[C@@H](COc3ccccc3)C2)cc1 ZINC000505825741 294255348 /nfs/dbraw/zinc/25/53/48/294255348.db2.gz MYYZXKOVDWRMPL-MRXNPFEDSA-N 1 1 312.369 3.496 20 5 DGBDMO CC1CC[NH+](Cc2cc([N+](=O)[O-])ccc2OC(F)F)CC1 ZINC000505893752 294258636 /nfs/dbraw/zinc/25/86/36/294258636.db2.gz IYBPLTNMTKROSP-UHFFFAOYSA-N 1 1 300.305 3.428 20 5 DGBDMO O=[N+]([O-])c1ccc(OC(F)F)c(C[NH+]2CCC(CF)CC2)c1 ZINC000295073250 434183007 /nfs/dbraw/zinc/18/30/07/434183007.db2.gz PMVXEZZMKXYGSL-UHFFFAOYSA-N 1 1 318.295 3.378 20 5 DGBDMO C[C@H]1C[C@@H](Nc2ccc3cc([N+](=O)[O-])ccc3n2)CC[N@H+]1C ZINC000317097256 434196618 /nfs/dbraw/zinc/19/66/18/434196618.db2.gz BFCDDLVOWUJPTK-AAEUAGOBSA-N 1 1 300.362 3.038 20 5 DGBDMO Cc1ccc([N+](=O)[O-])cc1[C@H](C)[N@H+]1CC[C@@H]([C@H]2CCOC2)C1 ZINC000378493783 434202458 /nfs/dbraw/zinc/20/24/58/434202458.db2.gz IXWYQNQJROIVPV-ZNMIVQPWSA-N 1 1 304.390 3.323 20 5 DGBDMO CO[C@H]1[C@H]2[C@H]3C[C@@H]1C[C@H]3C[N@H+]2Cc1ccc(Cl)c([N+](=O)[O-])c1 ZINC000286258275 434211659 /nfs/dbraw/zinc/21/16/59/434211659.db2.gz AWPUXGNYYPBPQI-GWIBLVFBSA-N 1 1 322.792 3.103 20 5 DGBDMO CC1(C)C[C@H](O)CC[N@H+](Cc2cc(Cl)ccc2[N+](=O)[O-])C1 ZINC000295210724 434260189 /nfs/dbraw/zinc/26/01/89/434260189.db2.gz LOQZIVIUZNXYRS-CYBMUJFWSA-N 1 1 312.797 3.231 20 5 DGBDMO CC1(C)C[C@H](O)CC[N@@H+](Cc2cc(Cl)ccc2[N+](=O)[O-])C1 ZINC000295210724 434260196 /nfs/dbraw/zinc/26/01/96/434260196.db2.gz LOQZIVIUZNXYRS-CYBMUJFWSA-N 1 1 312.797 3.231 20 5 DGBDMO NC1(C[NH2+][C@@H](Cc2ccccc2[N+](=O)[O-])C2CC2)CCCCC1 ZINC000423185729 434272671 /nfs/dbraw/zinc/27/26/71/434272671.db2.gz VZMGAINTQYWZOP-INIZCTEOSA-N 1 1 317.433 3.167 20 5 DGBDMO O=[N+]([O-])c1cccc(OCC[N@H+]2CCS[C@@H]3CCCC[C@@H]32)c1 ZINC000437524045 434280147 /nfs/dbraw/zinc/28/01/47/434280147.db2.gz DIARMBRKVPHWLW-JKSUJKDBSA-N 1 1 322.430 3.334 20 5 DGBDMO CC(=O)c1cc([N+](=O)[O-])ccc1NCCCCn1cc[nH+]c1C ZINC000287464877 434364717 /nfs/dbraw/zinc/36/47/17/434364717.db2.gz WMCGWHPFCZWTGZ-UHFFFAOYSA-N 1 1 316.361 3.195 20 5 DGBDMO O=[N+]([O-])c1cccc([C@@H](NCC2=CC[NH2+]CC2)c2ccccc2)c1 ZINC000423347370 434374634 /nfs/dbraw/zinc/37/46/34/434374634.db2.gz QGPJSXRIMMUOTF-IBGZPJMESA-N 1 1 323.396 3.194 20 5 DGBDMO CC1(C)C[C@@H](NC[C@]2(C)CCC[NH2+]C2)c2cc([N+](=O)[O-])ccc21 ZINC000423350994 434380583 /nfs/dbraw/zinc/38/05/83/434380583.db2.gz YIQYDOGPWVUVJF-SJLPKXTDSA-N 1 1 317.433 3.297 20 5 DGBDMO CC(C)=CCC[NH2+][C@H](c1nccn1C)c1ccc([N+](=O)[O-])cc1 ZINC000353686133 434341515 /nfs/dbraw/zinc/34/15/15/434341515.db2.gz JVHONBQJFKDPEO-INIZCTEOSA-N 1 1 314.389 3.364 20 5 DGBDMO C[C@H](NC[C@H]1[NH2+]CCc2ccccc21)c1cccc([N+](=O)[O-])c1 ZINC000423421095 434416464 /nfs/dbraw/zinc/41/64/64/434416464.db2.gz JRTNHSPRGZFPHP-SCLBCKFNSA-N 1 1 311.385 3.132 20 5 DGBDMO Cc1[nH+]ccn1-c1cncc(N[C@@H](C)c2ccccc2[N+](=O)[O-])n1 ZINC000340991533 434473755 /nfs/dbraw/zinc/47/37/55/434473755.db2.gz LYYYSZMVWQBWKE-NSHDSACASA-N 1 1 324.344 3.052 20 5 DGBDMO C[C@H]1C[C@@H](c2ccccc2)CC[N@H+]1CCn1ccc([N+](=O)[O-])n1 ZINC000366877521 434527939 /nfs/dbraw/zinc/52/79/39/434527939.db2.gz CFGATMWJYYSRNL-HOCLYGCPSA-N 1 1 314.389 3.059 20 5 DGBDMO Cc1ccc([N+](=O)[O-])c(N2CCC[C@@H]([N@@H+]3[C@H](C)CC[C@@H]3C)C2)n1 ZINC000408341858 434564301 /nfs/dbraw/zinc/56/43/01/434564301.db2.gz TYTKIWUGOURHBR-QLFBSQMISA-N 1 1 318.421 3.140 20 5 DGBDMO O=[N+]([O-])c1ccc(C[N@@H+](CCn2cc(Cl)cn2)C2CC2)cc1 ZINC000459366032 434569607 /nfs/dbraw/zinc/56/96/07/434569607.db2.gz COEXBDBKVSYOKC-UHFFFAOYSA-N 1 1 320.780 3.109 20 5 DGBDMO C[C@H](C(=O)Nc1cccc([N+](=O)[O-])c1)[N@H+]1CCCC[C@H](C)C1 ZINC000360598140 434645796 /nfs/dbraw/zinc/64/57/96/434645796.db2.gz NZOQQCSGEYNDDJ-QWHCGFSZSA-N 1 1 305.378 3.044 20 5 DGBDMO CCOc1ccc([C@H](C)[NH2+][C@@H](C)CN(CC)CC)cc1[N+](=O)[O-] ZINC000349210174 434639231 /nfs/dbraw/zinc/63/92/31/434639231.db2.gz SRJQTOSZIUSKPK-KBPBESRZSA-N 1 1 323.437 3.374 20 5 DGBDMO C[C@@H]1CC[N@@H+](C)CCN1c1ccc(C(F)(F)F)cc1[N+](=O)[O-] ZINC000354082946 434609585 /nfs/dbraw/zinc/60/95/85/434609585.db2.gz AGHSDUGNQZAIGN-SNVBAGLBSA-N 1 1 317.311 3.144 20 5 DGBDMO O=[N+]([O-])c1ccc(C[N@@H+]2CC[C@@H](O)[C@H](C3CCCC3)C2)c(F)c1 ZINC000459753172 434698400 /nfs/dbraw/zinc/69/84/00/434698400.db2.gz LOFBUOHGYGSIMN-DOTOQJQBSA-N 1 1 322.380 3.107 20 5 DGBDMO C[N@H+]1CCC[C@@]2(CCN(C/C=C\c3ccccc3[N+](=O)[O-])C2)C1 ZINC000354167925 434652909 /nfs/dbraw/zinc/65/29/09/434652909.db2.gz USJZSQOAKXUMLW-NCRRVARUSA-N 1 1 315.417 3.026 20 5 DGBDMO CCO[C@H]1C[C@@H]([N@H+](C)Cc2c(F)cccc2[N+](=O)[O-])C1(C)C ZINC000354224709 434676298 /nfs/dbraw/zinc/67/62/98/434676298.db2.gz OUSYZACQGXRWCN-CABCVRRESA-N 1 1 310.369 3.369 20 5 DGBDMO CCO[C@H]1C[C@@H]([N@@H+](C)Cc2c(F)cccc2[N+](=O)[O-])C1(C)C ZINC000354224709 434676305 /nfs/dbraw/zinc/67/63/05/434676305.db2.gz OUSYZACQGXRWCN-CABCVRRESA-N 1 1 310.369 3.369 20 5 DGBDMO C[C@@H]1CC[N@@H+](Cc2ccc(-c3ccc([N+](=O)[O-])cc3)o2)C[C@H]1O ZINC000349356659 434690979 /nfs/dbraw/zinc/69/09/79/434690979.db2.gz VYVANRNULMLDSQ-MLGOLLRUSA-N 1 1 316.357 3.058 20 5 DGBDMO C[C@H](C[N@@H+](C)CCc1ccc([N+](=O)[O-])cc1)C(=O)OC(C)(C)C ZINC000459786218 434717852 /nfs/dbraw/zinc/71/78/52/434717852.db2.gz BPQXSSMXVOCTAN-CYBMUJFWSA-N 1 1 322.405 3.047 20 5 DGBDMO O=[N+]([O-])c1cc(Cl)ccc1C[N@@H+]1CCC[C@H](c2ncc[nH]2)C1 ZINC000371880750 434766037 /nfs/dbraw/zinc/76/60/37/434766037.db2.gz ZZTHORWKOIUIKL-LBPRGKRZSA-N 1 1 320.780 3.351 20 5 DGBDMO O=[N+]([O-])c1cc(Cl)ccc1C[N@H+]1CCC[C@H](c2ncc[nH]2)C1 ZINC000371880750 434766040 /nfs/dbraw/zinc/76/60/40/434766040.db2.gz ZZTHORWKOIUIKL-LBPRGKRZSA-N 1 1 320.780 3.351 20 5 DGBDMO CC(=O)c1ccc([N+](=O)[O-])cc1N(C)CC[C@H]1CCCC[N@H+]1C ZINC000360994263 434757523 /nfs/dbraw/zinc/75/75/23/434757523.db2.gz ICJKOLPQWIIKQC-CQSZACIVSA-N 1 1 319.405 3.108 20 5 DGBDMO Cc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@@H+]1C[C@H](C)[C@H](C)[C@H]1C ZINC000419377984 434781665 /nfs/dbraw/zinc/78/16/65/434781665.db2.gz VGABVIHVSHLAQV-MELADBBJSA-N 1 1 319.405 3.208 20 5 DGBDMO CC[C@H]1[C@H](C)CC[N@H+]1CCC(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000411556360 434800894 /nfs/dbraw/zinc/80/08/94/434800894.db2.gz OSMRQAHYPMUNMG-DOMZBBRYSA-N 1 1 305.378 3.044 20 5 DGBDMO C/C(=C\c1cccc([N+](=O)[O-])c1)C[N@H+]1CC[C@@H](n2cccn2)C1 ZINC000361239742 434837756 /nfs/dbraw/zinc/83/77/56/434837756.db2.gz XQSMNHJVKXUTNE-IDKBZEPQSA-N 1 1 312.373 3.142 20 5 DGBDMO O=[N+]([O-])c1ccccc1OCC[N@H+]1CCSC2(CCC2)CC1 ZINC000411869611 434837989 /nfs/dbraw/zinc/83/79/89/434837989.db2.gz NJBXEDROHAYWOC-UHFFFAOYSA-N 1 1 322.430 3.335 20 5 DGBDMO CC1(C)CCCC[N@@H+](CCC(=O)Nc2ccc([N+](=O)[O-])cc2)C1 ZINC000446071829 434846811 /nfs/dbraw/zinc/84/68/11/434846811.db2.gz KLQXBBAKYAXTIQ-UHFFFAOYSA-N 1 1 319.405 3.436 20 5 DGBDMO CC(C)c1ccc(C[NH2+][C@@H]2CCc3cn[nH]c3C2)cc1[N+](=O)[O-] ZINC000372739110 434850267 /nfs/dbraw/zinc/85/02/67/434850267.db2.gz IGAGLAUNNHVKCF-CQSZACIVSA-N 1 1 314.389 3.088 20 5 DGBDMO CC(C)c1ccc(C[N@H+](C)[C@H]2CCN(C)C[C@@H]2C)cc1[N+](=O)[O-] ZINC000573486991 434903143 /nfs/dbraw/zinc/90/31/43/434903143.db2.gz DIIXBUDLWRORBA-YOEHRIQHSA-N 1 1 319.449 3.490 20 5 DGBDMO CC(C)c1ccc(C[N@@H+](C)[C@H]2CCN(C)C[C@@H]2C)cc1[N+](=O)[O-] ZINC000573486991 434903145 /nfs/dbraw/zinc/90/31/45/434903145.db2.gz DIIXBUDLWRORBA-YOEHRIQHSA-N 1 1 319.449 3.490 20 5 DGBDMO C[N@@H+](CCOc1ccccc1)CCc1cccc([N+](=O)[O-])c1 ZINC000554834118 434949218 /nfs/dbraw/zinc/94/92/18/434949218.db2.gz ANSZLSGDIDNUDC-UHFFFAOYSA-N 1 1 300.358 3.148 20 5 DGBDMO C[C@@H]1CN(c2ccc([N+](=O)[O-])c(OC(C)(C)C)c2)C[C@H](C)[N@@H+]1C ZINC000555221529 434965238 /nfs/dbraw/zinc/96/52/38/434965238.db2.gz RTKIRCXRNHCXNN-BETUJISGSA-N 1 1 321.421 3.301 20 5 DGBDMO CC(C)[C@@H]1C[N@@H+](CCCOc2ccc([N+](=O)[O-])cc2)CCS1 ZINC000464777994 434999030 /nfs/dbraw/zinc/99/90/30/434999030.db2.gz WLQKTLZWRARRIU-INIZCTEOSA-N 1 1 324.446 3.437 20 5 DGBDMO CC(C)C[C@@H]1CCCC[N@H+]1CC(=O)Nc1ccccc1[N+](=O)[O-] ZINC000466663950 435086744 /nfs/dbraw/zinc/08/67/44/435086744.db2.gz IWLJGNFWFMCEHO-AWEZNQCLSA-N 1 1 319.405 3.434 20 5 DGBDMO O=[N+]([O-])c1ccccc1OCC[N@H+]1CCC[C@H]1c1ccccn1 ZINC000530724428 435047731 /nfs/dbraw/zinc/04/77/31/435047731.db2.gz IEMASRNYCRPTEC-HNNXBMFYSA-N 1 1 313.357 3.206 20 5 DGBDMO CC[C@@H]1C[N@@H+](C)CCN1c1ccc([N+](=O)[O-])c(C(F)(F)F)c1 ZINC000558983849 435118208 /nfs/dbraw/zinc/11/82/08/435118208.db2.gz CNHYEQPINXBJHO-SNVBAGLBSA-N 1 1 317.311 3.144 20 5 DGBDMO CCC[N@@H+](Cc1nnc(-c2ccc([N+](=O)[O-])cc2)o1)C(C)C ZINC000559100146 435122242 /nfs/dbraw/zinc/12/22/42/435122242.db2.gz HSDUSFUGSGIHJH-UHFFFAOYSA-N 1 1 304.350 3.265 20 5 DGBDMO C[C@H](C[NH+]1CCC(C)CC1)N[C@@H](C)c1ccc([N+](=O)[O-])cc1 ZINC000579375325 435150126 /nfs/dbraw/zinc/15/01/26/435150126.db2.gz FJPGRLYUZMFAGS-CABCVRRESA-N 1 1 305.422 3.366 20 5 DGBDMO CCCC[N@H+](CCOC)Cc1c(Cl)cccc1[N+](=O)[O-] ZINC000493236070 435130619 /nfs/dbraw/zinc/13/06/19/435130619.db2.gz JJHSFGIMMCBQES-UHFFFAOYSA-N 1 1 300.786 3.497 20 5 DGBDMO CCCC[N@@H+](CCOC)Cc1c(Cl)cccc1[N+](=O)[O-] ZINC000493236070 435130622 /nfs/dbraw/zinc/13/06/22/435130622.db2.gz JJHSFGIMMCBQES-UHFFFAOYSA-N 1 1 300.786 3.497 20 5 DGBDMO CO[C@@]1(C)CCC[N@@H+](C/C(C)=C/c2cccc([N+](=O)[O-])c2)C1 ZINC000475278324 435186785 /nfs/dbraw/zinc/18/67/85/435186785.db2.gz IOCDLDFPKAMOGW-SHRNQRGKSA-N 1 1 304.390 3.499 20 5 DGBDMO Cc1cccc([N+](=O)[O-])c1NC(=O)C[N@H+](C)[C@H]1CCC[C@@H](C)C1 ZINC000532927374 435201234 /nfs/dbraw/zinc/20/12/34/435201234.db2.gz DMYOGLUZAWPIAX-OCCSQVGLSA-N 1 1 319.405 3.352 20 5 DGBDMO CC(=O)c1cc(N2CCC[N@H+](C(C)(C)C)CC2)ccc1[N+](=O)[O-] ZINC000561159173 435203049 /nfs/dbraw/zinc/20/30/49/435203049.db2.gz SOSJOFJHWZMZJH-UHFFFAOYSA-N 1 1 319.405 3.108 20 5 DGBDMO CC[C@@H]1CCC[N@@H+](CC(=O)Nc2cc([N+](=O)[O-])ccc2C)CC1 ZINC000532978525 435203798 /nfs/dbraw/zinc/20/37/98/435203798.db2.gz UBUKFSLDHDLRBH-CQSZACIVSA-N 1 1 319.405 3.354 20 5 DGBDMO C[C@H]1C[C@H](C)[N@@H+](Cc2coc(-c3ccc([N+](=O)[O-])cc3)n2)C1 ZINC000536363798 435379943 /nfs/dbraw/zinc/37/99/43/435379943.db2.gz SADWVVJRDNQZPT-RYUDHWBXSA-N 1 1 301.346 3.480 20 5 DGBDMO CC(C)C[N@H+](C/C=C/c1ccccc1[N+](=O)[O-])CCN(C)C ZINC000514758304 435433975 /nfs/dbraw/zinc/43/39/75/435433975.db2.gz LNFPRVDLXYQMFC-VQHVLOKHSA-N 1 1 305.422 3.128 20 5 DGBDMO CC(C)CN(C/C=C/c1ccccc1[N+](=O)[O-])CC[NH+](C)C ZINC000514758304 435433979 /nfs/dbraw/zinc/43/39/79/435433979.db2.gz LNFPRVDLXYQMFC-VQHVLOKHSA-N 1 1 305.422 3.128 20 5 DGBDMO C[C@H]1C[C@H](C)[N@@H+](Cc2cn(C)nc2-c2ccc([N+](=O)[O-])cc2)C1 ZINC000538717490 435515998 /nfs/dbraw/zinc/51/59/98/435515998.db2.gz FBRLCSDFIZNIRO-STQMWFEESA-N 1 1 314.389 3.226 20 5 DGBDMO CC1(C)[C@@H]2C[N@@H+](Cc3cc([N+](=O)[O-])ccc3OC(F)F)C[C@@H]21 ZINC000538736901 435517760 /nfs/dbraw/zinc/51/77/60/435517760.db2.gz MZIMIBMXTPSCCQ-TXEJJXNPSA-N 1 1 312.316 3.284 20 5 DGBDMO CC1(C)[C@@H]2C[N@H+](Cc3cc([N+](=O)[O-])ccc3OC(F)F)C[C@@H]21 ZINC000538736901 435517763 /nfs/dbraw/zinc/51/77/63/435517763.db2.gz MZIMIBMXTPSCCQ-TXEJJXNPSA-N 1 1 312.316 3.284 20 5 DGBDMO C[N@H+]1CCC[C@@H](C[NH2+][C@@H]2CC(C)(C)c3ccc([N+](=O)[O-])cc32)C1 ZINC000516530395 435534940 /nfs/dbraw/zinc/53/49/40/435534940.db2.gz XBCXDWYUUSKCNC-SUMWQHHRSA-N 1 1 317.433 3.249 20 5 DGBDMO CN1CCC[C@@H](C[NH2+][C@@H]2CC(C)(C)c3ccc([N+](=O)[O-])cc32)C1 ZINC000516530395 435534944 /nfs/dbraw/zinc/53/49/44/435534944.db2.gz XBCXDWYUUSKCNC-SUMWQHHRSA-N 1 1 317.433 3.249 20 5 DGBDMO C[N@@H+]1CCC[C@@H](CN[C@@H]2CC(C)(C)c3ccc([N+](=O)[O-])cc32)C1 ZINC000516530395 435534948 /nfs/dbraw/zinc/53/49/48/435534948.db2.gz XBCXDWYUUSKCNC-SUMWQHHRSA-N 1 1 317.433 3.249 20 5 DGBDMO C[N@H+]1CCC[C@@H](CN[C@@H]2CC(C)(C)c3ccc([N+](=O)[O-])cc32)C1 ZINC000516530395 435534953 /nfs/dbraw/zinc/53/49/53/435534953.db2.gz XBCXDWYUUSKCNC-SUMWQHHRSA-N 1 1 317.433 3.249 20 5 DGBDMO C[C@@H](C[N@@H+]1CCC[C@@H](C)C1)N[C@H]1CCc2c1cccc2[N+](=O)[O-] ZINC000569000430 435493241 /nfs/dbraw/zinc/49/32/41/435493241.db2.gz IEHFPIUDYKKNMA-KEYYUXOJSA-N 1 1 317.433 3.292 20 5 DGBDMO C[C@@H](C[N@H+]1CCC[C@@H](C)C1)N[C@H]1CCc2c1cccc2[N+](=O)[O-] ZINC000569000430 435493246 /nfs/dbraw/zinc/49/32/46/435493246.db2.gz IEHFPIUDYKKNMA-KEYYUXOJSA-N 1 1 317.433 3.292 20 5 DGBDMO Cc1cc([N+](=O)[O-])ccc1C[N@@H+](CCO)CC1CCCCC1 ZINC000485720473 435577054 /nfs/dbraw/zinc/57/70/54/435577054.db2.gz RLWPBRGPTGJHCW-UHFFFAOYSA-N 1 1 306.406 3.278 20 5 DGBDMO CCC1(CC)CC[NH+](CC(=O)Nc2ccccc2[N+](=O)[O-])CC1 ZINC000485861607 435582409 /nfs/dbraw/zinc/58/24/09/435582409.db2.gz JAAYRQLTWNSEAI-UHFFFAOYSA-N 1 1 319.405 3.436 20 5 DGBDMO CC(C)[N@@H+](C)C[C@H](C)Nc1ccc([N+](=O)[O-])c(OC(F)F)c1 ZINC000570371710 435613393 /nfs/dbraw/zinc/61/33/93/435613393.db2.gz DINPGQWJFRSFDS-JTQLQIEISA-N 1 1 317.336 3.337 20 5 DGBDMO CC(C)c1ccc(C[N@@H+]2CCC[C@@H]([C@H](C)O)C2)cc1[N+](=O)[O-] ZINC000540962179 435630667 /nfs/dbraw/zinc/63/06/67/435630667.db2.gz VBQKGDMOTOIEFZ-DZGCQCFKSA-N 1 1 306.406 3.311 20 5 DGBDMO CCC[N@@H+](CC)C[C@H](C)N[C@@H]1CCc2c1cccc2[N+](=O)[O-] ZINC000570294043 435606642 /nfs/dbraw/zinc/60/66/42/435606642.db2.gz YFOUUNOJWYOQKU-XJKSGUPXSA-N 1 1 305.422 3.292 20 5 DGBDMO CCCN(CC)C[C@H](C)[NH2+][C@@H]1CCc2c1cccc2[N+](=O)[O-] ZINC000570294043 435606644 /nfs/dbraw/zinc/60/66/44/435606644.db2.gz YFOUUNOJWYOQKU-XJKSGUPXSA-N 1 1 305.422 3.292 20 5 DGBDMO O=C(CC[N@@H+](C1CC1)C1CCCC1)Nc1ccccc1[N+](=O)[O-] ZINC000548844498 435723011 /nfs/dbraw/zinc/72/30/11/435723011.db2.gz DAXIHNZECSLOCO-UHFFFAOYSA-N 1 1 317.389 3.330 20 5 DGBDMO C[C@H](C[NH+]1CCC(C)CC1)N[C@H]1CCc2c1cccc2[N+](=O)[O-] ZINC000572900432 435880591 /nfs/dbraw/zinc/88/05/91/435880591.db2.gz DYNKCQLLENXMRC-PBHICJAKSA-N 1 1 317.433 3.292 20 5 DGBDMO CC[C@H](C(=O)OC(C)(C)C)[N@H+](C)CCc1cccc([N+](=O)[O-])c1 ZINC000564473295 315178852 /nfs/dbraw/zinc/17/88/52/315178852.db2.gz PDAMCKMVWPXYDM-OAHLLOKOSA-N 1 1 322.405 3.189 20 5 DGBDMO CC[C@H](C(=O)OC(C)(C)C)[N@@H+](C)CCc1cccc([N+](=O)[O-])c1 ZINC000564473295 315178854 /nfs/dbraw/zinc/17/88/54/315178854.db2.gz PDAMCKMVWPXYDM-OAHLLOKOSA-N 1 1 322.405 3.189 20 5 DGBDMO C[N@H+](CCC(=O)c1ccc(F)cc1)Cc1ccccc1[N+](=O)[O-] ZINC000181958145 323276910 /nfs/dbraw/zinc/27/69/10/323276910.db2.gz OSUNHVPZZBWVHJ-UHFFFAOYSA-N 1 1 316.332 3.439 20 5 DGBDMO C[N@@H+](CCC(=O)c1ccc(F)cc1)Cc1ccccc1[N+](=O)[O-] ZINC000181958145 323276911 /nfs/dbraw/zinc/27/69/11/323276911.db2.gz OSUNHVPZZBWVHJ-UHFFFAOYSA-N 1 1 316.332 3.439 20 5 DGBDMO CC(C)n1ccc(C[NH2+][C@@H]2CCc3c2cccc3[N+](=O)[O-])n1 ZINC000579613905 323895107 /nfs/dbraw/zinc/89/51/07/323895107.db2.gz IHRDFFUNVOOXSE-OAHLLOKOSA-N 1 1 300.362 3.149 20 5 DGBDMO O=[N+]([O-])c1ccccc1/C=C/C[N@H+]1CC[C@H](c2cccnc2)C1 ZINC000583631536 324377769 /nfs/dbraw/zinc/37/77/69/324377769.db2.gz DIMLORWAIPOPBB-PFWMLDTASA-N 1 1 309.369 3.493 20 5 DGBDMO O=[N+]([O-])c1ccccc1/C=C/C[N@H+]1CC[C@@H](c2cccnc2)C1 ZINC000583631533 324378046 /nfs/dbraw/zinc/37/80/46/324378046.db2.gz DIMLORWAIPOPBB-BBOMDTFKSA-N 1 1 309.369 3.493 20 5 DGBDMO C[C@@H](C[N@H+](C)Cc1ccccc1)NCc1ccc([N+](=O)[O-])cc1 ZINC000309874102 533745642 /nfs/dbraw/zinc/74/56/42/533745642.db2.gz HMCXXYCFKHRDPG-HNNXBMFYSA-N 1 1 313.401 3.205 20 5 DGBDMO C[C@@H](C[N@@H+](C)Cc1ccccc1)NCc1ccc([N+](=O)[O-])cc1 ZINC000309874102 533745644 /nfs/dbraw/zinc/74/56/44/533745644.db2.gz HMCXXYCFKHRDPG-HNNXBMFYSA-N 1 1 313.401 3.205 20 5 DGBDMO Cc1c(NC(=O)CC[N@@H+]2C[C@H](C)CC2(C)C)cccc1[N+](=O)[O-] ZINC000331023117 533899938 /nfs/dbraw/zinc/89/99/38/533899938.db2.gz ZUMCYHKZGKEFAV-GFCCVEGCSA-N 1 1 319.405 3.352 20 5 DGBDMO COC(=O)c1ccc(C[N@@H+](C)Cc2cccc([N+](=O)[O-])c2)cc1 ZINC000026207628 534098381 /nfs/dbraw/zinc/09/83/81/534098381.db2.gz LBXOADWOSROAFD-UHFFFAOYSA-N 1 1 314.341 3.013 20 5 DGBDMO C[C@H](O)[C@@H]1C[C@H](C)CC[N@H+]1C/C=C/c1ccccc1[N+](=O)[O-] ZINC000443787479 534107599 /nfs/dbraw/zinc/10/75/99/534107599.db2.gz ILDPVBSSZSBGTK-JHJVRWKMSA-N 1 1 304.390 3.089 20 5 DGBDMO Cc1cc(C2CC[NH+](Cc3ccc([N+](=O)[O-])cc3F)CC2)n[nH]1 ZINC000332479761 534144777 /nfs/dbraw/zinc/14/47/77/534144777.db2.gz WIRLJZLAJLRJMX-UHFFFAOYSA-N 1 1 318.352 3.145 20 5 DGBDMO Cc1cc(C2CC[NH+](Cc3ccc([N+](=O)[O-])cc3F)CC2)[nH]n1 ZINC000332479761 534144781 /nfs/dbraw/zinc/14/47/81/534144781.db2.gz WIRLJZLAJLRJMX-UHFFFAOYSA-N 1 1 318.352 3.145 20 5 DGBDMO COC(=O)c1ccc([C@H](C)[NH2+][C@@H](C)c2ccc([N+](=O)[O-])cc2)o1 ZINC000296745478 534243820 /nfs/dbraw/zinc/24/38/20/534243820.db2.gz PDIRNTXNWAGSBH-QWRGUYRKSA-N 1 1 318.329 3.386 20 5 DGBDMO C[N@@H+](CCOCc1ccccc1)Cc1ccc([N+](=O)[O-])cc1 ZINC000154518682 522899590 /nfs/dbraw/zinc/89/95/90/522899590.db2.gz CCYHNYXDYIRKCY-UHFFFAOYSA-N 1 1 300.358 3.243 20 5 DGBDMO [NH3+]C[C@H]1CCN(Cc2ccc(-c3ccccc3[N+](=O)[O-])s2)C1 ZINC000435395885 534691265 /nfs/dbraw/zinc/69/12/65/534691265.db2.gz VQTHSSXGVCXOHN-GFCCVEGCSA-N 1 1 317.414 3.104 20 5 DGBDMO O=[N+]([O-])c1ccc(-c2ccc(C[N@@H+]3CCC[C@@H](CO)C3)o2)cc1 ZINC000154609342 534881224 /nfs/dbraw/zinc/88/12/24/534881224.db2.gz IDJXDILHXMNEIY-CYBMUJFWSA-N 1 1 316.357 3.059 20 5 DGBDMO C[C@H]1CCCC[N@H+]1CCCNc1ncc(Cl)cc1[N+](=O)[O-] ZINC000148454646 526249205 /nfs/dbraw/zinc/24/92/05/526249205.db2.gz HHZKJWXZFBHAAI-NSHDSACASA-N 1 1 312.801 3.320 20 5 DGBDMO CC(=O)c1ccc(NC[C@H]2CCCC[N@H+]2C2CC2)c([N+](=O)[O-])c1 ZINC000433802229 527316446 /nfs/dbraw/zinc/31/64/46/527316446.db2.gz OLSJVDWJFWBQLE-OAHLLOKOSA-N 1 1 317.389 3.226 20 5 DGBDMO C/C(=C\c1cccc([N+](=O)[O-])c1)C[N@@H+]1CCO[C@H]2CCC[C@H]21 ZINC000430884233 527528228 /nfs/dbraw/zinc/52/82/28/527528228.db2.gz VPBFVVVSTWEJFO-KWEXZYJESA-N 1 1 302.374 3.251 20 5 DGBDMO C/C(=C\c1cccc([N+](=O)[O-])c1)C[N@H+]1CCO[C@H]2CCC[C@H]21 ZINC000430884233 527528235 /nfs/dbraw/zinc/52/82/35/527528235.db2.gz VPBFVVVSTWEJFO-KWEXZYJESA-N 1 1 302.374 3.251 20 5 DGBDMO CC1CC[NH+](CCNC(C)(C)c2ccccc2[N+](=O)[O-])CC1 ZINC000429249807 528246251 /nfs/dbraw/zinc/24/62/51/528246251.db2.gz UQWZZYNUBVGMIK-UHFFFAOYSA-N 1 1 305.422 3.151 20 5 DGBDMO CCOc1cccc(NCC[N@@H+]2CC=C(C)CC2)c1[N+](=O)[O-] ZINC000302144937 528674246 /nfs/dbraw/zinc/67/42/46/528674246.db2.gz IWLIIESMDMMHQW-UHFFFAOYSA-N 1 1 305.378 3.057 20 5 DGBDMO CC[N@@H+](Cc1ccc(-c2ccc([N+](=O)[O-])cc2)o1)[C@H](C)CO ZINC000292811496 528768362 /nfs/dbraw/zinc/76/83/62/528768362.db2.gz OTTSLXJHCWFBLX-GFCCVEGCSA-N 1 1 304.346 3.058 20 5 DGBDMO CC[N@H+]1CCC[C@@H]1CN(C)c1ccc([N+](=O)[O-])c2ncccc12 ZINC000413181784 529071610 /nfs/dbraw/zinc/07/16/10/529071610.db2.gz KAILRTSWPLZVAT-CYBMUJFWSA-N 1 1 314.389 3.064 20 5 DGBDMO CCC[C@H]1C[N@H+](C/C(C)=C/c2cccc([N+](=O)[O-])c2)CCO1 ZINC000470170116 535740412 /nfs/dbraw/zinc/74/04/12/535740412.db2.gz OUMNURWDKVYFQK-SHRNQRGKSA-N 1 1 304.390 3.499 20 5 DGBDMO CCC[C@H]1C[N@@H+](C/C(C)=C/c2cccc([N+](=O)[O-])c2)CCO1 ZINC000470170116 535740414 /nfs/dbraw/zinc/74/04/14/535740414.db2.gz OUMNURWDKVYFQK-SHRNQRGKSA-N 1 1 304.390 3.499 20 5 DGBDMO CCn1nccc1C[N@H+]1CCC[C@H](c2ccc([N+](=O)[O-])cc2)C1 ZINC000449505877 535868905 /nfs/dbraw/zinc/86/89/05/535868905.db2.gz YEWHHZFOVYVFDB-HNNXBMFYSA-N 1 1 314.389 3.191 20 5 DGBDMO CC[N@H+]1CCCC[C@H]1CNc1nc2ccc([N+](=O)[O-])cc2s1 ZINC000732050421 574565587 /nfs/dbraw/zinc/56/55/87/574565587.db2.gz PBLAVPLJAODYSN-LBPRGKRZSA-N 1 1 320.418 3.491 20 5 DGBDMO CC[C@H](C)C[N@@H+](C)Cn1cc(-c2ccc([N+](=O)[O-])cc2)cn1 ZINC000732182435 574567464 /nfs/dbraw/zinc/56/74/64/574567464.db2.gz BRAUWTSVYJOARW-ZDUSSCGKSA-N 1 1 302.378 3.394 20 5 DGBDMO O=[N+]([O-])c1ccc(-c2cnn(C[N@H+]3CCC[C@@H]3C3CC3)c2)cc1 ZINC000728900975 575192832 /nfs/dbraw/zinc/19/28/32/575192832.db2.gz ZRTNTXXWEHKXLV-QGZVFWFLSA-N 1 1 312.373 3.290 20 5 DGBDMO Cc1c(COC(=O)[C@H](C)[N@@H+]2[C@H](C)CC[C@@H]2C)cccc1[N+](=O)[O-] ZINC000741016968 574949045 /nfs/dbraw/zinc/94/90/45/574949045.db2.gz KTMNTUCJTDJXFH-SCRDCRAPSA-N 1 1 320.389 3.208 20 5 DGBDMO C[C@@H]1Cc2ccccc2C[N@@H+]1Cn1ncc2ccc([N+](=O)[O-])cc21 ZINC000742158509 574982506 /nfs/dbraw/zinc/98/25/06/574982506.db2.gz IVHYKRMHAQMWGE-CYBMUJFWSA-N 1 1 322.368 3.349 20 5 DGBDMO C[C@@H]1Cc2ccccc2C[N@H+]1Cn1ncc2ccc([N+](=O)[O-])cc21 ZINC000742158509 574982509 /nfs/dbraw/zinc/98/25/09/574982509.db2.gz IVHYKRMHAQMWGE-CYBMUJFWSA-N 1 1 322.368 3.349 20 5 DGBDMO CC[C@]1(C)CCC[N@@H+](Cn2ncc3ccc([N+](=O)[O-])cc32)C1 ZINC000743386832 575048367 /nfs/dbraw/zinc/04/83/67/575048367.db2.gz ZZJYQMDWWRNKGQ-MRXNPFEDSA-N 1 1 302.378 3.414 20 5 DGBDMO CC[C@@]1(C)CCC[N@@H+](Cn2ncc3cc([N+](=O)[O-])ccc32)C1 ZINC000743390122 575049013 /nfs/dbraw/zinc/04/90/13/575049013.db2.gz ZUQPDXZSHUFWGI-INIZCTEOSA-N 1 1 302.378 3.414 20 5 DGBDMO C[C@H]1C[C@H](C)[N@@H+](Cn2cc(-c3ccc([N+](=O)[O-])cc3)cn2)C1 ZINC000740859993 575226868 /nfs/dbraw/zinc/22/68/68/575226868.db2.gz ODVFPBJHONCMDU-STQMWFEESA-N 1 1 300.362 3.146 20 5 DGBDMO Cc1cccc(C[N@H+](CC(C)C)Cn2cc([N+](=O)[O-])cn2)c1 ZINC000746053625 575429054 /nfs/dbraw/zinc/42/90/54/575429054.db2.gz LJLIWBKYVRRXKR-UHFFFAOYSA-N 1 1 302.378 3.215 20 5 DGBDMO Cc1cccc(C[N@@H+](CC(C)C)Cn2cc([N+](=O)[O-])cn2)c1 ZINC000746053625 575429057 /nfs/dbraw/zinc/42/90/57/575429057.db2.gz LJLIWBKYVRRXKR-UHFFFAOYSA-N 1 1 302.378 3.215 20 5 DGBDMO COC(=O)CC[N@@H+](Cc1cc(Cl)ccc1[N+](=O)[O-])C(C)C ZINC000746674358 575468728 /nfs/dbraw/zinc/46/87/28/575468728.db2.gz VLTQOKIIXMGUMV-UHFFFAOYSA-N 1 1 314.769 3.022 20 5 DGBDMO C[C@@H](C(=O)OCc1ccc([N+](=O)[O-])cc1F)[N@@H+]1[C@H](C)CC[C@@H]1C ZINC000746985950 575488119 /nfs/dbraw/zinc/48/81/19/575488119.db2.gz TZXOQAVMAIJJRM-TUAOUCFPSA-N 1 1 324.352 3.038 20 5 DGBDMO O=[N+]([O-])c1cc(C[N@H+]2CCC[C@H]([C@H]3CCOC3)C2)ccc1Cl ZINC000749556657 575664396 /nfs/dbraw/zinc/66/43/96/575664396.db2.gz CFTZWGYKYMVEOH-KBPBESRZSA-N 1 1 324.808 3.497 20 5 DGBDMO O=[N+]([O-])c1ccc(Cl)cc1C[N@H+]1CCC[C@H]([C@@H]2CCOC2)C1 ZINC000749559008 575665147 /nfs/dbraw/zinc/66/51/47/575665147.db2.gz KPGHKJPTFATLHE-QWHCGFSZSA-N 1 1 324.808 3.497 20 5 DGBDMO O=[N+]([O-])c1cccc([C@@H](O)C[N@@H+](C2CC2)C2CCCCC2)c1 ZINC000750039851 575699360 /nfs/dbraw/zinc/69/93/60/575699360.db2.gz LKKSKMQLANBWFW-KRWDZBQOSA-N 1 1 304.390 3.425 20 5 DGBDMO CCCCCC[N@@H+](C)CC(=O)N[C@H](C)c1cccc([N+](=O)[O-])c1 ZINC000111572130 620736391 /nfs/dbraw/zinc/73/63/91/620736391.db2.gz ZWEXHFJCAHALEI-CQSZACIVSA-N 1 1 321.421 3.284 20 5 DGBDMO CCC1([NH3+])CCN([C@H](Cc2ccccc2[N+](=O)[O-])C2CC2)CC1 ZINC000925756612 618601148 /nfs/dbraw/zinc/60/11/48/618601148.db2.gz MQLSWLWRFMSINI-QGZVFWFLSA-N 1 1 317.433 3.119 20 5 DGBDMO Cc1ccnc(N)c1C[N@H+](Cc1cccc([N+](=O)[O-])c1)C1CC1 ZINC000893946228 618681588 /nfs/dbraw/zinc/68/15/88/618681588.db2.gz VPBZMLSYWAKTFT-UHFFFAOYSA-N 1 1 312.373 3.045 20 5 DGBDMO Cc1ccnc(N)c1C[N@@H+](Cc1cccc([N+](=O)[O-])c1)C1CC1 ZINC000893946228 618681590 /nfs/dbraw/zinc/68/15/90/618681590.db2.gz VPBZMLSYWAKTFT-UHFFFAOYSA-N 1 1 312.373 3.045 20 5 DGBDMO Cc1cc(C[N@@H+](C)CCc2cccc([N+](=O)[O-])c2)cnc1F ZINC000894273785 618748775 /nfs/dbraw/zinc/74/87/75/618748775.db2.gz VLMZZDGTVJWVSO-UHFFFAOYSA-N 1 1 303.337 3.112 20 5 DGBDMO C[C@@H](O)[C@@H]([NH2+]Cc1ccc(Cl)cc1[N+](=O)[O-])c1ccccc1 ZINC000895472722 618788965 /nfs/dbraw/zinc/78/89/65/618788965.db2.gz KDFNJWJCVVNFCU-BDJLRTHQSA-N 1 1 320.776 3.460 20 5 DGBDMO CC(C)c1[nH+]ccn1CCNc1ncc([N+](=O)[O-])cc1Cl ZINC000895989398 618858128 /nfs/dbraw/zinc/85/81/28/618858128.db2.gz ZQYXCTISGKMCEJ-UHFFFAOYSA-N 1 1 309.757 3.075 20 5 DGBDMO C[C@H]1[C@@H](NCc2cc(Cl)cc(Cl)c2[N+](=O)[O-])CC[N@@H+]1C ZINC000896555892 618928312 /nfs/dbraw/zinc/92/83/12/618928312.db2.gz RQECZMDLDGZNQW-UFBFGSQYSA-N 1 1 318.204 3.084 20 5 DGBDMO C[C@H]1[C@@H](NCc2cc(Cl)cc(Cl)c2[N+](=O)[O-])CC[N@H+]1C ZINC000896555892 618928313 /nfs/dbraw/zinc/92/83/13/618928313.db2.gz RQECZMDLDGZNQW-UFBFGSQYSA-N 1 1 318.204 3.084 20 5 DGBDMO CC[C@@H](N[C@@H]1Cc2ccccc2[C@H]1[NH3+])c1cccc([N+](=O)[O-])c1 ZINC000902438267 619636114 /nfs/dbraw/zinc/63/61/14/619636114.db2.gz LWPSKCUSLOWQJO-KZNAEPCWSA-N 1 1 311.385 3.260 20 5 DGBDMO Cc1c([C@@H](C)[NH2+][C@@H](c2nncn2C)C(C)C)cccc1[N+](=O)[O-] ZINC000903060538 619707984 /nfs/dbraw/zinc/70/79/84/619707984.db2.gz BBVSYUXFXHZIHA-IUODEOHRSA-N 1 1 317.393 3.080 20 5 DGBDMO C[C@H](NC1C[C@H]2CC[C@@H](C1)[N@@H+]2C1CC1)c1cccc([N+](=O)[O-])c1 ZINC000903081620 619712620 /nfs/dbraw/zinc/71/26/20/619712620.db2.gz WAPLRXXOBDBDTO-IICXIOTHSA-N 1 1 315.417 3.403 20 5 DGBDMO COc1cc([C@H](C)[NH2+]Cc2ccc(C)c(C)n2)cc([N+](=O)[O-])c1 ZINC000903182964 619732099 /nfs/dbraw/zinc/73/20/99/619732099.db2.gz IZUBVHXFVCXNSA-ZDUSSCGKSA-N 1 1 315.373 3.466 20 5 DGBDMO C[C@@H](C[NH2+][C@@H]1CCCc2[nH]ncc21)c1ccccc1[N+](=O)[O-] ZINC000903244880 619743746 /nfs/dbraw/zinc/74/37/46/619743746.db2.gz FWPNTXCRAGLOID-SMDDNHRTSA-N 1 1 300.362 3.089 20 5 DGBDMO CC(C)([NH3+])CCNCc1ccc(-c2cccc([N+](=O)[O-])c2)o1 ZINC000903939211 619834254 /nfs/dbraw/zinc/83/42/54/619834254.db2.gz VTKHJPKLKHBXPD-UHFFFAOYSA-N 1 1 303.362 3.072 20 5 DGBDMO C[C@H](c1ccccc1)[C@H]1CCC[N@H+]1Cn1cc([N+](=O)[O-])cn1 ZINC000905738620 620024455 /nfs/dbraw/zinc/02/44/55/620024455.db2.gz DYVANZVYJCKSAA-CZUORRHYSA-N 1 1 300.362 3.017 20 5 DGBDMO CC(C)[N@@H+]1CCC[C@@H]1c1nc(Cc2ccccc2[N+](=O)[O-])no1 ZINC000923761928 620834188 /nfs/dbraw/zinc/83/41/88/620834188.db2.gz WXQJKRSRZVFZQP-CQSZACIVSA-N 1 1 316.361 3.114 20 5 DGBDMO CC(C)[N@H+]1CCC[C@@H]1c1nc(Cc2ccccc2[N+](=O)[O-])no1 ZINC000923761928 620834195 /nfs/dbraw/zinc/83/41/95/620834195.db2.gz WXQJKRSRZVFZQP-CQSZACIVSA-N 1 1 316.361 3.114 20 5 DGBDMO Cc1ccc([C@H](C)[NH2+]Cc2cn(C)nc2Cl)cc1[N+](=O)[O-] ZINC000856772425 621019206 /nfs/dbraw/zinc/01/92/06/621019206.db2.gz ZSJSVXXJYIMZFE-JTQLQIEISA-N 1 1 308.769 3.141 20 5 DGBDMO CCOc1ccc(C[NH2+][C@H](C)c2ccc([N+](=O)[O-])cc2)nc1 ZINC000922537447 621052118 /nfs/dbraw/zinc/05/21/18/621052118.db2.gz GHNKGODQOQYSLQ-GFCCVEGCSA-N 1 1 301.346 3.239 20 5 DGBDMO COc1ccc(C[NH2+]Cc2csc([N+](=O)[O-])c2)c(C)c1OC ZINC000922970414 621141772 /nfs/dbraw/zinc/14/17/72/621141772.db2.gz DZFROGHILNMHAR-UHFFFAOYSA-N 1 1 322.386 3.272 20 5 DGBDMO COc1cccc(C[NH2+]Cc2ccc(C)c([N+](=O)[O-])c2)c1F ZINC000858210120 621165032 /nfs/dbraw/zinc/16/50/32/621165032.db2.gz GCUYPIRFNVUASW-UHFFFAOYSA-N 1 1 304.321 3.341 20 5 DGBDMO O=[N+]([O-])c1ccc(Cl)c(C[N@H+]2CCCC[C@@H]2C2(O)CC2)c1 ZINC000839141082 621340247 /nfs/dbraw/zinc/34/02/47/621340247.db2.gz XWHXZTQZYQIPOU-CQSZACIVSA-N 1 1 310.781 3.128 20 5 DGBDMO O=[N+]([O-])c1ccc(Cl)c(C[N@@H+]2CCCC[C@@H]2C2(O)CC2)c1 ZINC000839141082 621340250 /nfs/dbraw/zinc/34/02/50/621340250.db2.gz XWHXZTQZYQIPOU-CQSZACIVSA-N 1 1 310.781 3.128 20 5 DGBDMO CC[C@H]1CCC[N@@H+]1CC(=O)Nc1cc(Cl)ccc1[N+](=O)[O-] ZINC000839479458 621379755 /nfs/dbraw/zinc/37/97/55/621379755.db2.gz LKUAFDXYUDQWKS-NSHDSACASA-N 1 1 311.769 3.061 20 5 DGBDMO CC[C@H]1CCC[N@H+]1CC(=O)Nc1cc(Cl)ccc1[N+](=O)[O-] ZINC000839479458 621379759 /nfs/dbraw/zinc/37/97/59/621379759.db2.gz LKUAFDXYUDQWKS-NSHDSACASA-N 1 1 311.769 3.061 20 5 DGBDMO Cc1nn(C[N@H+]2CC[C@@](C)(c3ccccc3)C2)c(C)c1[N+](=O)[O-] ZINC000755928638 621604640 /nfs/dbraw/zinc/60/46/40/621604640.db2.gz CZBOFHPHFLHAIR-QGZVFWFLSA-N 1 1 314.389 3.029 20 5 DGBDMO O=[N+]([O-])c1ccc(Cl)c(C[N@H+]2CCC[C@H]3COCC[C@@H]32)c1 ZINC000756903084 621671949 /nfs/dbraw/zinc/67/19/49/621671949.db2.gz ZIISGRHOSMQKKK-NHYWBVRUSA-N 1 1 310.781 3.249 20 5 DGBDMO Cc1cc([N+](=O)[O-])ccc1-c1noc([C@@H]([NH3+])CCC(C)C)n1 ZINC000863661279 621696516 /nfs/dbraw/zinc/69/65/16/621696516.db2.gz MDKQPCUVHVOQAH-ZDUSSCGKSA-N 1 1 304.350 3.389 20 5 DGBDMO O=C(C[N@@H+]1CCCC12CCC2)Nc1cc(Cl)ccc1[N+](=O)[O-] ZINC000839583813 621696741 /nfs/dbraw/zinc/69/67/41/621696741.db2.gz OBTGKDHQUAXWMO-UHFFFAOYSA-N 1 1 323.780 3.205 20 5 DGBDMO O=C(C[N@H+]1CCCC12CCC2)Nc1cc(Cl)ccc1[N+](=O)[O-] ZINC000839583813 621696743 /nfs/dbraw/zinc/69/67/43/621696743.db2.gz OBTGKDHQUAXWMO-UHFFFAOYSA-N 1 1 323.780 3.205 20 5 DGBDMO O=[N+]([O-])c1ccc(C[N@@H+]2C[C@H](O)C[C@H]2c2ccccc2)cc1F ZINC000839635164 621702976 /nfs/dbraw/zinc/70/29/76/621702976.db2.gz GQHQMJKOAFWLID-PBHICJAKSA-N 1 1 316.332 3.042 20 5 DGBDMO O=[N+]([O-])c1ccc(C[N@H+]2C[C@H](O)C[C@H]2c2ccccc2)cc1F ZINC000839635164 621702978 /nfs/dbraw/zinc/70/29/78/621702978.db2.gz GQHQMJKOAFWLID-PBHICJAKSA-N 1 1 316.332 3.042 20 5 DGBDMO C[C@H]1CC[N@@H+](Cn2ncc3cc([N+](=O)[O-])ccc32)CC1(C)C ZINC000758998512 621817629 /nfs/dbraw/zinc/81/76/29/621817629.db2.gz CMIYPTIHXONEGE-LBPRGKRZSA-N 1 1 302.378 3.270 20 5 DGBDMO C[N@H+]1CCCC[C@H]1CCOC(=O)/C=C/c1ccc([N+](=O)[O-])cc1 ZINC000760127112 621916684 /nfs/dbraw/zinc/91/66/84/621916684.db2.gz NDAXKIIQOZCHFP-VSGCLNPGSA-N 1 1 318.373 3.026 20 5 DGBDMO COc1cncc(C[NH2+]Cc2cc([N+](=O)[O-])ccc2Cl)c1C ZINC000865490159 621935205 /nfs/dbraw/zinc/93/52/05/621935205.db2.gz NSHGFUGDCSCFMG-UHFFFAOYSA-N 1 1 321.764 3.250 20 5 DGBDMO O=[N+]([O-])c1ccc(N[C@@H]2CCn3cc[nH+]c3C2)c(C(F)F)c1 ZINC000865688547 621978034 /nfs/dbraw/zinc/97/80/34/621978034.db2.gz GMNPDYITVPAXFS-SECBINFHSA-N 1 1 308.288 3.156 20 5 DGBDMO NC(=[NH+]OCc1ccc([N+](=O)[O-])cc1[N+](=O)[O-])C1CCCCC1 ZINC000789587772 625529813 /nfs/dbraw/zinc/52/98/13/625529813.db2.gz KFBXRBIZOBJIAB-UHFFFAOYSA-N 1 1 322.321 3.082 20 5 DGBDMO Cc1[nH+]ccn1CCCOC(=O)c1cc([N+](=O)[O-])ccc1Cl ZINC000763113478 622124742 /nfs/dbraw/zinc/12/47/42/622124742.db2.gz BAWKXIXCWUHWDY-UHFFFAOYSA-N 1 1 323.736 3.000 20 5 DGBDMO Cc1ccc(C[NH2+][C@@H](C)c2cc3n(n2)CCCC3)cc1[N+](=O)[O-] ZINC000866541111 622135372 /nfs/dbraw/zinc/13/53/72/622135372.db2.gz WPHHVORDLFJWCQ-ZDUSSCGKSA-N 1 1 314.389 3.287 20 5 DGBDMO C[C@@H](C(=O)OCC[C@@H]1CCCC[N@H+]1C)c1cccc([N+](=O)[O-])c1 ZINC000763401831 622143209 /nfs/dbraw/zinc/14/32/09/622143209.db2.gz HPFKTFYTRMCFRI-HIFRSBDPSA-N 1 1 320.389 3.116 20 5 DGBDMO Cc1c(CN2CC[C@@](C[NH3+])(C(C)(C)C)C2)cccc1[N+](=O)[O-] ZINC000866702985 622158050 /nfs/dbraw/zinc/15/80/50/622158050.db2.gz FZVBEOLITDKDRE-KRWDZBQOSA-N 1 1 305.422 3.100 20 5 DGBDMO C[C@@H](c1cccc([N+](=O)[O-])c1)N1CC[C@](C[NH3+])(C(C)(C)C)C1 ZINC000866704660 622158095 /nfs/dbraw/zinc/15/80/95/622158095.db2.gz PYJRNJONWACTPX-SUMWQHHRSA-N 1 1 305.422 3.353 20 5 DGBDMO Cc1nn(C[N@H+]2CCC[C@@H]2C2CC2)c2ccc([N+](=O)[O-])cc12 ZINC000764970973 622236592 /nfs/dbraw/zinc/23/65/92/622236592.db2.gz LCYYDOKVJYXZSE-OAHLLOKOSA-N 1 1 300.362 3.085 20 5 DGBDMO Cc1nn(C[N@H+]2CCS[C@@H](C)[C@H]2C)c2ccc([N+](=O)[O-])cc12 ZINC000765002483 622239238 /nfs/dbraw/zinc/23/92/38/622239238.db2.gz OPAJJIJNAFPBGW-NEPJUHHUSA-N 1 1 320.418 3.036 20 5 DGBDMO Cc1nn(C[N@@H+]2CCS[C@@H](C)[C@H]2C)c2ccc([N+](=O)[O-])cc12 ZINC000765002483 622239240 /nfs/dbraw/zinc/23/92/40/622239240.db2.gz OPAJJIJNAFPBGW-NEPJUHHUSA-N 1 1 320.418 3.036 20 5 DGBDMO CC[C@H]1C[N@H+](Cn2nc(C)c3cc([N+](=O)[O-])ccc32)CCS1 ZINC000765038719 622241404 /nfs/dbraw/zinc/24/14/04/622241404.db2.gz ORNWTEBFZNOTSS-ZDUSSCGKSA-N 1 1 320.418 3.038 20 5 DGBDMO CC[C@H]1C[N@@H+](Cn2nc(C)c3cc([N+](=O)[O-])ccc32)CCS1 ZINC000765038719 622241407 /nfs/dbraw/zinc/24/14/07/622241407.db2.gz ORNWTEBFZNOTSS-ZDUSSCGKSA-N 1 1 320.418 3.038 20 5 DGBDMO Cc1cc(C)c(COC(=O)c2ccc([N+](=O)[O-])c(F)c2)c(C)[nH+]1 ZINC000869382969 622350132 /nfs/dbraw/zinc/35/01/32/622350132.db2.gz GANQGDNRINQGAN-UHFFFAOYSA-N 1 1 318.304 3.411 20 5 DGBDMO O=[N+]([O-])c1ccc(-c2cnn(C[N@H+]3CCCC4(CC4)C3)c2)cc1 ZINC000769797926 622561098 /nfs/dbraw/zinc/56/10/98/622561098.db2.gz HLIXFZOWVTWUDA-UHFFFAOYSA-N 1 1 312.373 3.292 20 5 DGBDMO Cc1cc(C)cc(C[N@@H+](C)C[C@@H](O)c2ccc([N+](=O)[O-])cc2)c1 ZINC000769845056 622567720 /nfs/dbraw/zinc/56/77/20/622567720.db2.gz DFQVRTIGLUWDDA-GOSISDBHSA-N 1 1 314.385 3.377 20 5 DGBDMO CCc1noc(C)c1[C@H](C)[NH2+]Cc1ccc(OC)c([N+](=O)[O-])c1 ZINC000769872478 622569706 /nfs/dbraw/zinc/56/97/06/622569706.db2.gz IFWRNJHQQJITFB-JTQLQIEISA-N 1 1 319.361 3.313 20 5 DGBDMO O=[N+]([O-])c1cc(C[NH2+][C@@H](CO)c2ccsc2)ccc1Cl ZINC000769935109 622579029 /nfs/dbraw/zinc/57/90/29/622579029.db2.gz QZIMENURQFPKMI-LBPRGKRZSA-N 1 1 312.778 3.133 20 5 DGBDMO CSc1ccc([N+](=O)[O-])cc1[C@@H](C)NCC[NH+]1CCCC1 ZINC000872018223 622754497 /nfs/dbraw/zinc/75/44/97/622754497.db2.gz JYKSQLWBAPFXCB-GFCCVEGCSA-N 1 1 309.435 3.063 20 5 DGBDMO C[C@H](N[C@H]1CC[N@H+]2CCCC[C@H]12)c1c(F)cccc1[N+](=O)[O-] ZINC000872023860 622756986 /nfs/dbraw/zinc/75/69/86/622756986.db2.gz WIPFZAFYTSIFGF-FPMFFAJLSA-N 1 1 307.369 3.011 20 5 DGBDMO CCn1nccc1C[NH2+][C@H](C)c1cc([N+](=O)[O-])ccc1SC ZINC000872088459 622799303 /nfs/dbraw/zinc/79/93/03/622799303.db2.gz RFRQQGRIJIEQFC-LLVKDONJSA-N 1 1 320.418 3.384 20 5 DGBDMO Cc1c(C[NH2+][C@@H](c2ccccc2F)[C@H](C)O)cccc1[N+](=O)[O-] ZINC000873133379 623044738 /nfs/dbraw/zinc/04/47/38/623044738.db2.gz GIQROHSMAVZLKR-YVEFUNNKSA-N 1 1 318.348 3.254 20 5 DGBDMO C[C@@H]1CCC[N@@H+]1CCN[C@H]1CCCc2ccc([N+](=O)[O-])cc21 ZINC000774206331 623120153 /nfs/dbraw/zinc/12/01/53/623120153.db2.gz AYEVTWOYHZTWKY-DYVFJYSZSA-N 1 1 303.406 3.046 20 5 DGBDMO C[C@@H]1CCC[N@H+]1CCN[C@H]1CCCc2ccc([N+](=O)[O-])cc21 ZINC000774206331 623120155 /nfs/dbraw/zinc/12/01/55/623120155.db2.gz AYEVTWOYHZTWKY-DYVFJYSZSA-N 1 1 303.406 3.046 20 5 DGBDMO Cc1[nH+]ccn1-c1ncccc1CNc1ccc(C)cc1[N+](=O)[O-] ZINC000774535703 623157918 /nfs/dbraw/zinc/15/79/18/623157918.db2.gz VZRQCIZOOUPGBX-UHFFFAOYSA-N 1 1 323.356 3.404 20 5 DGBDMO CC[C@H]1[C@@H](C)CC[N@H+]1Cn1nc(C)c2ccc([N+](=O)[O-])cc21 ZINC000774618010 623166087 /nfs/dbraw/zinc/16/60/87/623166087.db2.gz HHMQVRVOXNQNRJ-NHYWBVRUSA-N 1 1 302.378 3.331 20 5 DGBDMO CC[C@@H]1[C@H](C)CC[N@H+]1Cn1nc(C)c2cc([N+](=O)[O-])ccc21 ZINC000774620738 623167310 /nfs/dbraw/zinc/16/73/10/623167310.db2.gz VRMKFUAAWIPIEU-IAQYHMDHSA-N 1 1 302.378 3.331 20 5 DGBDMO C[C@@H](NC(=O)[C@H](C)[N@@H+]1[C@H](C)CC[C@@H]1C)c1ccccc1[N+](=O)[O-] ZINC000874625833 623308377 /nfs/dbraw/zinc/30/83/77/623308377.db2.gz XAZXTRYHMRZKBB-RQJABVFESA-N 1 1 319.405 3.033 20 5 DGBDMO CC(C)C[C@@H](CO)[N@@H+](C)Cc1cc(Cl)ccc1[N+](=O)[O-] ZINC000775753824 623325099 /nfs/dbraw/zinc/32/50/99/623325099.db2.gz KUFRSCUAKNLHPK-ZDUSSCGKSA-N 1 1 300.786 3.087 20 5 DGBDMO CC(C)C[C@H](CO)[N@@H+](C)Cc1cc(Cl)ccc1[N+](=O)[O-] ZINC000775753823 623325268 /nfs/dbraw/zinc/32/52/68/623325268.db2.gz KUFRSCUAKNLHPK-CYBMUJFWSA-N 1 1 300.786 3.087 20 5 DGBDMO O=[N+]([O-])c1ccc([C@@H](O)C[N@H+]2CCC[C@H]2c2ccccc2)cc1 ZINC000776277247 623406083 /nfs/dbraw/zinc/40/60/83/623406083.db2.gz QDLDEFRSRLHFDZ-ROUUACIJSA-N 1 1 312.369 3.465 20 5 DGBDMO C[C@H]1C[C@H](C)[N@@H+](Cn2cc(-c3cccc([N+](=O)[O-])c3)cn2)C1 ZINC000777956373 623589790 /nfs/dbraw/zinc/58/97/90/623589790.db2.gz GVTSPYLFLOPOFT-STQMWFEESA-N 1 1 300.362 3.146 20 5 DGBDMO C[N@@H+](Cn1cc(-c2cccc([N+](=O)[O-])c2)cn1)CC(C)(C)C ZINC000777955309 623590062 /nfs/dbraw/zinc/59/00/62/623590062.db2.gz KRRGJSLSAFFVAX-UHFFFAOYSA-N 1 1 302.378 3.394 20 5 DGBDMO C[C@@H]1CC[C@](CO)([N@@H+](C)Cc2cc(Cl)ccc2[N+](=O)[O-])C1 ZINC000778429156 623657007 /nfs/dbraw/zinc/65/70/07/623657007.db2.gz VLSJGIOULVWWPD-ABAIWWIYSA-N 1 1 312.797 3.231 20 5 DGBDMO C[C@H]1CC[C@](CO)([N@@H+](C)Cc2cc(Cl)ccc2[N+](=O)[O-])C1 ZINC000778429161 623657075 /nfs/dbraw/zinc/65/70/75/623657075.db2.gz VLSJGIOULVWWPD-NHYWBVRUSA-N 1 1 312.797 3.231 20 5 DGBDMO C[C@@H](OC(=O)[C@H](C)[NH+]1CCCCCC1)c1ccccc1[N+](=O)[O-] ZINC000778613150 623676832 /nfs/dbraw/zinc/67/68/32/623676832.db2.gz ALFMQFBFGUEXTO-UONOGXRCSA-N 1 1 320.389 3.464 20 5 DGBDMO C[C@@H](OC(=O)C(C)(C)[NH+]1CCCC1)c1ccccc1[N+](=O)[O-] ZINC000805612049 623678542 /nfs/dbraw/zinc/67/85/42/623678542.db2.gz IIKNKHJJFADIGF-GFCCVEGCSA-N 1 1 306.362 3.073 20 5 DGBDMO Cc1ccc([N+](=O)[O-])c(C)c1C[N@H+]1CCC[C@@H](n2ccnc2)C1 ZINC000876680955 623680034 /nfs/dbraw/zinc/68/00/34/623680034.db2.gz KDCXGPBCAXLYKN-OAHLLOKOSA-N 1 1 314.389 3.245 20 5 DGBDMO Cc1[nH+]ccn1CCCCOC(=O)c1cc([N+](=O)[O-])c(C)s1 ZINC000778767611 623692590 /nfs/dbraw/zinc/69/25/90/623692590.db2.gz CWXUCRFODAYNSQ-UHFFFAOYSA-N 1 1 323.374 3.107 20 5 DGBDMO CCn1cc(C[N@H+](C)Cc2c(C)ccc([N+](=O)[O-])c2C)cn1 ZINC000876743028 623694111 /nfs/dbraw/zinc/69/41/11/623694111.db2.gz ZPYYQPKPLBMSER-UHFFFAOYSA-N 1 1 302.378 3.060 20 5 DGBDMO CCn1cc(C[N@@H+](C)Cc2c(C)ccc([N+](=O)[O-])c2C)cn1 ZINC000876743028 623694115 /nfs/dbraw/zinc/69/41/15/623694115.db2.gz ZPYYQPKPLBMSER-UHFFFAOYSA-N 1 1 302.378 3.060 20 5 DGBDMO Cc1nn(C[N@H+]2CCCC[C@@H]2Cc2ccccc2)cc1[N+](=O)[O-] ZINC000779858593 623822566 /nfs/dbraw/zinc/82/25/66/623822566.db2.gz AMVNGWCJWSKONY-MRXNPFEDSA-N 1 1 314.389 3.154 20 5 DGBDMO Cc1cnn([C@H]2CC[N@@H+](Cc3c(C)ccc([N+](=O)[O-])c3C)C2)c1 ZINC000877542303 623933982 /nfs/dbraw/zinc/93/39/82/623933982.db2.gz MTBBHOSELTZQPQ-HNNXBMFYSA-N 1 1 314.389 3.164 20 5 DGBDMO O=[N+]([O-])c1cc(C[N@H+]2CC[C@@H]3CSC[C@H]3C2)ccc1Cl ZINC000877737353 624010457 /nfs/dbraw/zinc/01/04/57/624010457.db2.gz FWDCFZSBLWSFMO-VXGBXAGGSA-N 1 1 312.822 3.433 20 5 DGBDMO O=[N+]([O-])c1ccc(C[N@H+]2CC[C@@H]3CSC[C@@H]3C2)c(Cl)c1 ZINC000877737053 624010650 /nfs/dbraw/zinc/01/06/50/624010650.db2.gz GPZXPSXPGSWASN-NEPJUHHUSA-N 1 1 312.822 3.433 20 5 DGBDMO O=[N+]([O-])c1ccc(C[N@H+]2CC[C@H]3CSC[C@@H]3C2)cc1Cl ZINC000877738589 624012868 /nfs/dbraw/zinc/01/28/68/624012868.db2.gz OPJYVIDEUQSEFE-RYUDHWBXSA-N 1 1 312.822 3.433 20 5 DGBDMO CCOc1ccc([N+](=O)[O-])cc1C[N@H+]1CC[C@H]2CSC[C@@H]2C1 ZINC000877741350 624013267 /nfs/dbraw/zinc/01/32/67/624013267.db2.gz VJDNVYISEDWYPF-JSGCOSHPSA-N 1 1 322.430 3.178 20 5 DGBDMO Cc1csc([C@H]2CC[N@@H+](Cc3ccc([N+](=O)[O-])cc3)C2)n1 ZINC000877814176 624046624 /nfs/dbraw/zinc/04/66/24/624046624.db2.gz VJFDFHOEVOCURB-ZDUSSCGKSA-N 1 1 303.387 3.349 20 5 DGBDMO Cc1c(C[N@@H+]2CCO[C@@H](C(F)(F)F)CC2)cccc1[N+](=O)[O-] ZINC000877820614 624051327 /nfs/dbraw/zinc/05/13/27/624051327.db2.gz HQNYURAUQBNEIG-CYBMUJFWSA-N 1 1 318.295 3.056 20 5 DGBDMO Cc1c(C[N@H+]2CCO[C@@H](C(F)(F)F)CC2)cccc1[N+](=O)[O-] ZINC000877820614 624051333 /nfs/dbraw/zinc/05/13/33/624051333.db2.gz HQNYURAUQBNEIG-CYBMUJFWSA-N 1 1 318.295 3.056 20 5 DGBDMO C[C@H]([N@@H+](C)Cc1nnc(-c2ccccc2[N+](=O)[O-])o1)C1(C)CC1 ZINC000878179783 624204632 /nfs/dbraw/zinc/20/46/32/624204632.db2.gz QNOQFZBAQOFUMI-NSHDSACASA-N 1 1 316.361 3.265 20 5 DGBDMO O=[N+]([O-])c1ccc(F)cc1C[NH2+][C@H](c1cccnc1)C1CC1 ZINC000782531248 624261131 /nfs/dbraw/zinc/26/11/31/624261131.db2.gz SCPTXMVXKAVJRQ-INIZCTEOSA-N 1 1 301.321 3.370 20 5 DGBDMO CC[N@H+](CCC(=O)Nc1cc([N+](=O)[O-])ccc1F)CCC1CC1 ZINC000782544196 624262538 /nfs/dbraw/zinc/26/25/38/624262538.db2.gz MEGRUNXXIQKZTO-UHFFFAOYSA-N 1 1 323.368 3.185 20 5 DGBDMO O=[N+]([O-])c1ccc(C[NH+]2CCC(c3ncc[nH]3)CC2)cc1Cl ZINC000783551978 624365122 /nfs/dbraw/zinc/36/51/22/624365122.db2.gz APLXNUPNUVRJRD-UHFFFAOYSA-N 1 1 320.780 3.351 20 5 DGBDMO O=[N+]([O-])c1ccc(C[N@H+]2CC[C@@H]([C@@H]3CCOC3)C2)cc1Cl ZINC000783572565 624368333 /nfs/dbraw/zinc/36/83/33/624368333.db2.gz KAZOKKYQQHIEMU-CHWSQXEVSA-N 1 1 310.781 3.107 20 5 DGBDMO C[C@@H]1C[N@@H+](Cn2ncc3ccc([N+](=O)[O-])cc32)CC(C)(C)C1 ZINC000784005897 624419348 /nfs/dbraw/zinc/41/93/48/624419348.db2.gz BLDVRZFAIWSOIF-LBPRGKRZSA-N 1 1 302.378 3.270 20 5 DGBDMO Cc1nn(C[N@H+]2CC[C@@H](c3cccc(C)c3)C2)c(C)c1[N+](=O)[O-] ZINC000784026361 624424955 /nfs/dbraw/zinc/42/49/55/624424955.db2.gz SBNUPTSXWBJVRY-MRXNPFEDSA-N 1 1 314.389 3.164 20 5 DGBDMO O=[N+]([O-])c1ccc(C[N@@H+]2CCC[C@@H]2[C@H](O)c2ccccc2)cc1 ZINC000879239453 624457213 /nfs/dbraw/zinc/45/72/13/624457213.db2.gz BGVBYTXYCDBQQB-QZTJIDSGSA-N 1 1 312.369 3.293 20 5 DGBDMO C[C@H](O)[C@H]1C[C@H](C)CC[N@H+]1Cc1cc(Cl)ccc1[N+](=O)[O-] ZINC000785546030 624684199 /nfs/dbraw/zinc/68/41/99/624684199.db2.gz KEQQIFRJNLPCJG-JRPNMDOOSA-N 1 1 312.797 3.230 20 5 DGBDMO COC(=O)CC[C@@H]1CCC[N@H+]([C@@H](C)c2ccccc2[N+](=O)[O-])C1 ZINC000880038847 624763028 /nfs/dbraw/zinc/76/30/28/624763028.db2.gz BALWUWGXQCTUBC-KBPBESRZSA-N 1 1 320.389 3.321 20 5 DGBDMO O=[N+]([O-])c1ccc(-c2nc(C[N@H+]3CC[C@H](CF)C3)co2)cc1 ZINC000880297551 624899521 /nfs/dbraw/zinc/89/95/21/624899521.db2.gz PMEDBYJQJJPWBQ-LLVKDONJSA-N 1 1 305.309 3.041 20 5 DGBDMO O=[N+]([O-])c1ccc(C(F)(F)F)c(C[N@@H+]2CC[C@H](CF)C2)c1 ZINC000880300850 624902519 /nfs/dbraw/zinc/90/25/19/624902519.db2.gz XSZDSUHJIDOCEN-SECBINFHSA-N 1 1 306.259 3.405 20 5 DGBDMO O=[N+]([O-])c1ccc(C(F)(F)F)c(C[N@H+]2CC[C@H](CF)C2)c1 ZINC000880300850 624902523 /nfs/dbraw/zinc/90/25/23/624902523.db2.gz XSZDSUHJIDOCEN-SECBINFHSA-N 1 1 306.259 3.405 20 5 DGBDMO COc1cc([N+](=O)[O-])ccc1C[N@H+]1CC[C@H](c2nccs2)C1 ZINC000880320220 624916618 /nfs/dbraw/zinc/91/66/18/624916618.db2.gz DVWCQEAUDLFLON-LBPRGKRZSA-N 1 1 319.386 3.049 20 5 DGBDMO Cc1ccc(C[N@H+]2CC[C@H](c3nccs3)C2)cc1[N+](=O)[O-] ZINC000880323237 624917868 /nfs/dbraw/zinc/91/78/68/624917868.db2.gz PRVIZSBHRJBJBU-ZDUSSCGKSA-N 1 1 303.387 3.349 20 5 DGBDMO C[N@@H+](Cc1cc([N+](=O)[O-])ccc1Cl)C[C@@H](O)C(C)(C)C ZINC000787728177 625042168 /nfs/dbraw/zinc/04/21/68/625042168.db2.gz CNXKFJSLFHRBQK-CYBMUJFWSA-N 1 1 300.786 3.087 20 5 DGBDMO C[N@H+](Cc1cc([N+](=O)[O-])ccc1Cl)C[C@@H](O)C(C)(C)C ZINC000787728177 625042173 /nfs/dbraw/zinc/04/21/73/625042173.db2.gz CNXKFJSLFHRBQK-CYBMUJFWSA-N 1 1 300.786 3.087 20 5 DGBDMO C[C@@H]1CC[N@@H+](CCC(=O)Nc2cc([N+](=O)[O-])ccc2F)[C@H](C)C1 ZINC000128698574 625130531 /nfs/dbraw/zinc/13/05/31/625130531.db2.gz AHJVDGFKXLNBRQ-VXGBXAGGSA-N 1 1 323.368 3.183 20 5 DGBDMO C[C@H](CO)[N@H+](Cc1ccc(Cl)c([N+](=O)[O-])c1)CC1CCC1 ZINC000796545242 626061158 /nfs/dbraw/zinc/06/11/58/626061158.db2.gz GYTKKNNKABCOCG-LLVKDONJSA-N 1 1 312.797 3.231 20 5 DGBDMO CC(C)(C)[C@H]1CCC[N@@H+](C[C@H](O)c2cccc([N+](=O)[O-])c2)C1 ZINC000796576057 626063124 /nfs/dbraw/zinc/06/31/24/626063124.db2.gz RLBQIPQMMFEPDN-HOCLYGCPSA-N 1 1 306.406 3.386 20 5 DGBDMO CC1=C[C@H](C)C[N@@H+](Cn2cc(-c3cccc([N+](=O)[O-])c3)cn2)C1 ZINC000797417011 626141122 /nfs/dbraw/zinc/14/11/22/626141122.db2.gz LQVBYCHTBHKTAG-ZDUSSCGKSA-N 1 1 312.373 3.314 20 5 DGBDMO CC1=C[C@@H](C)C[N@H+](CC(=O)Nc2ccc(Cl)c([N+](=O)[O-])c2)C1 ZINC000797526522 626150929 /nfs/dbraw/zinc/15/09/29/626150929.db2.gz SLUUGPFJDJLWER-SNVBAGLBSA-N 1 1 323.780 3.085 20 5 DGBDMO CC1=C[C@@H](C)C[N@@H+](CC(=O)Nc2ccc(Cl)c([N+](=O)[O-])c2)C1 ZINC000797526522 626150931 /nfs/dbraw/zinc/15/09/31/626150931.db2.gz SLUUGPFJDJLWER-SNVBAGLBSA-N 1 1 323.780 3.085 20 5 DGBDMO C[N@@H+]1CCCC[C@H]1C(=O)Nc1ccc(C(C)(C)C)c([N+](=O)[O-])c1 ZINC000803613737 626624822 /nfs/dbraw/zinc/62/48/22/626624822.db2.gz KXDFCXUSORAUEL-AWEZNQCLSA-N 1 1 319.405 3.315 20 5 DGBDMO C[N@H+]1CCCC[C@H]1C(=O)Nc1ccc(C(C)(C)C)c([N+](=O)[O-])c1 ZINC000803613737 626624825 /nfs/dbraw/zinc/62/48/25/626624825.db2.gz KXDFCXUSORAUEL-AWEZNQCLSA-N 1 1 319.405 3.315 20 5 DGBDMO Cc1ccc(C[NH2+][C@H](C)c2ccc(N)c([N+](=O)[O-])c2)c(Cl)n1 ZINC000883302322 626640317 /nfs/dbraw/zinc/64/03/17/626640317.db2.gz VLVTVVGWJQQEBG-SNVBAGLBSA-N 1 1 320.780 3.385 20 5 DGBDMO O=[N+]([O-])c1ccccc1C[NH2+][C@@H]1CCc2nc(Cl)ccc21 ZINC000806144498 626701918 /nfs/dbraw/zinc/70/19/18/626701918.db2.gz WUMVGKMNELVEFW-GFCCVEGCSA-N 1 1 303.749 3.420 20 5 DGBDMO CC(=O)c1ccc([N+](=O)[O-])cc1NCCC[N@@H+]1CCCC[C@@H]1C ZINC000807918629 626777376 /nfs/dbraw/zinc/77/73/76/626777376.db2.gz XXAVEUGBBMEFLZ-ZDUSSCGKSA-N 1 1 319.405 3.474 20 5 DGBDMO CC[N@H+]1CCCC[C@@H]1CNc1cc([N+](=O)[O-])ccc1C(C)=O ZINC000807972502 626781374 /nfs/dbraw/zinc/78/13/74/626781374.db2.gz LVLYVEGITVRFGK-CQSZACIVSA-N 1 1 305.378 3.084 20 5 DGBDMO CC[N@@H+](C)C[C@@H]1CCN(c2ccc(C(F)F)cc2[N+](=O)[O-])C1 ZINC000809354812 626906390 /nfs/dbraw/zinc/90/63/90/626906390.db2.gz DYANQIIZATUFSL-NSHDSACASA-N 1 1 313.348 3.310 20 5 DGBDMO C[C@@H](CO)[N@H+](Cc1ccc([N+](=O)[O-])c(Cl)c1)CC1CCC1 ZINC000809665392 626934723 /nfs/dbraw/zinc/93/47/23/626934723.db2.gz SOFLSTAQMXCVGS-NSHDSACASA-N 1 1 312.797 3.231 20 5 DGBDMO CCC[N@@H+](CC)C[C@H](C)NCc1cc(Cl)ccc1[N+](=O)[O-] ZINC000810180764 626985063 /nfs/dbraw/zinc/98/50/63/626985063.db2.gz KTKZKKZMKQZGRJ-LBPRGKRZSA-N 1 1 313.829 3.458 20 5 DGBDMO COc1cc(C)cc(C[NH2+]Cc2ccccc2[N+](=O)[O-])c1OC ZINC000885924363 627061145 /nfs/dbraw/zinc/06/11/45/627061145.db2.gz OBXXWZZDYWQBGG-UHFFFAOYSA-N 1 1 316.357 3.210 20 5 DGBDMO Cc1nn(C(C)(C)C)cc1[C@H](C)[NH2+]Cc1cccnc1[N+](=O)[O-] ZINC000886136573 627110528 /nfs/dbraw/zinc/11/05/28/627110528.db2.gz QSAGSJIISAGIEI-NSHDSACASA-N 1 1 317.393 3.101 20 5 DGBDMO Cc1cc(NC(=O)[C@@]2(F)CC[N@H+](C(C)(C)C)C2)ccc1[N+](=O)[O-] ZINC000813145221 627458144 /nfs/dbraw/zinc/45/81/44/627458144.db2.gz HNTUIWSNAMFIGM-MRXNPFEDSA-N 1 1 323.368 3.054 20 5 DGBDMO C[C@H]([NH2+]Cc1ccccc1[N+](=O)[O-])c1cccc2c1OCO2 ZINC000925311858 627729180 /nfs/dbraw/zinc/72/91/80/627729180.db2.gz WLNBCJVACIWFQF-NSHDSACASA-N 1 1 300.314 3.174 20 5 DGBDMO C[C@@H]([NH2+]Cc1ccccc1[N+](=O)[O-])c1cnn(C2CCC2)c1 ZINC000925312137 627729243 /nfs/dbraw/zinc/72/92/43/627729243.db2.gz XGOUMNLSGPRVFZ-GFCCVEGCSA-N 1 1 300.362 3.367 20 5 DGBDMO COc1ccnc([C@@H](C)[NH2+]Cc2cccc([N+](=O)[O-])c2C)c1 ZINC000926268592 627872062 /nfs/dbraw/zinc/87/20/62/627872062.db2.gz HVMKHJDCYCENKK-GFCCVEGCSA-N 1 1 301.346 3.158 20 5 DGBDMO O=[N+]([O-])c1cccc([C@H](O)C[N@H+]2CC[C@H](C3CCCC3)C2)c1 ZINC000817282437 627877182 /nfs/dbraw/zinc/87/71/82/627877182.db2.gz FDEPHYYNUFPUJC-DOTOQJQBSA-N 1 1 304.390 3.140 20 5 DGBDMO O=[N+]([O-])c1ccc(Cl)cc1C[N@@H+]1CCC[C@@H](CCO)CC1 ZINC000817299021 627879683 /nfs/dbraw/zinc/87/96/83/627879683.db2.gz SJEOBOTTXYLPTH-GFCCVEGCSA-N 1 1 312.797 3.233 20 5 DGBDMO C[C@@H](N[C@@H]1CCC[N@@H+]2CCCC[C@@H]12)c1ccccc1[N+](=O)[O-] ZINC000926835716 627962280 /nfs/dbraw/zinc/96/22/80/627962280.db2.gz KHYIOSPHMZUKJH-UNEWFSDZSA-N 1 1 303.406 3.262 20 5 DGBDMO C[C@@H](N[C@@H]1CCC[N@H+]2CCCC[C@@H]12)c1ccccc1[N+](=O)[O-] ZINC000926835716 627962283 /nfs/dbraw/zinc/96/22/83/627962283.db2.gz KHYIOSPHMZUKJH-UNEWFSDZSA-N 1 1 303.406 3.262 20 5 DGBDMO C[C@H]1CC2(CN1Cc1cc([N+](=O)[O-])ccc1Cl)CC[NH2+]CC2 ZINC000818340395 628015527 /nfs/dbraw/zinc/01/55/27/628015527.db2.gz LSXFUMLXCUXYKV-LBPRGKRZSA-N 1 1 323.824 3.212 20 5 DGBDMO Cc1c(C[N@H+](C)C[C@@](C)(O)c2ccccc2)cccc1[N+](=O)[O-] ZINC000823590393 628577857 /nfs/dbraw/zinc/57/78/57/628577857.db2.gz COAHNWUEJVHMGS-GOSISDBHSA-N 1 1 314.385 3.243 20 5 DGBDMO C[N@@H+](Cc1ccc([N+](=O)[O-])c(Cl)c1)[C@@H](CO)c1ccccc1 ZINC000824696557 628684594 /nfs/dbraw/zinc/68/45/94/628684594.db2.gz OVWDKPPYEWSRBV-INIZCTEOSA-N 1 1 320.776 3.414 20 5 DGBDMO O=[N+]([O-])c1ccc(Cl)c(C[N@@H+]2CCC[C@@H]2[C@@H]2CCC[C@@H]2O)c1 ZINC000824716700 628687131 /nfs/dbraw/zinc/68/71/31/628687131.db2.gz XVMGKJYVUYVNQU-IMJJTQAJSA-N 1 1 324.808 3.374 20 5 DGBDMO O=[N+]([O-])c1ccc(Cl)cc1C[N@@H+]1CCC[C@]2(CCOC2)C1 ZINC000825134446 628731191 /nfs/dbraw/zinc/73/11/91/628731191.db2.gz ZJQGGIMXZXLPEV-HNNXBMFYSA-N 1 1 310.781 3.251 20 5 DGBDMO O=[N+]([O-])c1ccc(Cl)cc1C[N@H+]1CCC[C@]2(CCOC2)C1 ZINC000825134446 628731194 /nfs/dbraw/zinc/73/11/94/628731194.db2.gz ZJQGGIMXZXLPEV-HNNXBMFYSA-N 1 1 310.781 3.251 20 5 DGBDMO Cc1ccccc1CC[N@H+](C)C[C@@H](O)c1ccc([N+](=O)[O-])cc1 ZINC000830391051 629262393 /nfs/dbraw/zinc/26/23/93/629262393.db2.gz KBSZPMGSYRJEGH-GOSISDBHSA-N 1 1 314.385 3.111 20 5 DGBDMO O=C(CC[N@@H+]1CCC[C@H](c2ccc([N+](=O)[O-])cc2)C1)C1CC1 ZINC000831539350 629388483 /nfs/dbraw/zinc/38/84/83/629388483.db2.gz QFXXFZQSNGINRI-HNNXBMFYSA-N 1 1 302.374 3.143 20 5 DGBDMO C[C@H]1CCC(C)(C)[N@H+]1CCC(=O)Nc1cc([N+](=O)[O-])ccc1F ZINC000832566095 629497096 /nfs/dbraw/zinc/49/70/96/629497096.db2.gz ZJFNFNWPLKNWSV-NSHDSACASA-N 1 1 323.368 3.325 20 5 DGBDMO C[NH+](C)CCCNCc1ccc(-c2ccc([N+](=O)[O-])cc2)s1 ZINC000102419358 630104488 /nfs/dbraw/zinc/10/44/88/630104488.db2.gz SOWQRMPBNUBJPO-UHFFFAOYSA-N 1 1 319.430 3.365 20 5 DGBDMO CN(C)CCC[NH2+]Cc1ccc(-c2ccc([N+](=O)[O-])cc2)s1 ZINC000102419358 630104489 /nfs/dbraw/zinc/10/44/89/630104489.db2.gz SOWQRMPBNUBJPO-UHFFFAOYSA-N 1 1 319.430 3.365 20 5 DGBDMO NC(CC1CC1)=[NH+]OCc1cc([N+](=O)[O-])ccc1C(F)(F)F ZINC000842032458 630480662 /nfs/dbraw/zinc/48/06/62/630480662.db2.gz CZELUCSECXRAHZ-UHFFFAOYSA-N 1 1 317.267 3.412 20 5 DGBDMO O=[N+]([O-])c1ccc(F)cc1C[N@@H+]1CCSC[C@H]1C1CCC1 ZINC000842170636 630502164 /nfs/dbraw/zinc/50/21/64/630502164.db2.gz LRONLEBLSHVAGB-HNNXBMFYSA-N 1 1 310.394 3.451 20 5 DGBDMO O=[N+]([O-])c1ccc(F)cc1C[N@H+]1CCSC[C@H]1C1CCC1 ZINC000842170636 630502166 /nfs/dbraw/zinc/50/21/66/630502166.db2.gz LRONLEBLSHVAGB-HNNXBMFYSA-N 1 1 310.394 3.451 20 5 DGBDMO C[C@H](CCO)[N@@H+](C)Cc1cc(Cl)cc(Cl)c1[N+](=O)[O-] ZINC000844445971 630730856 /nfs/dbraw/zinc/73/08/56/630730856.db2.gz ATAPTYRZZPDBTO-MRVPVSSYSA-N 1 1 307.177 3.104 20 5 DGBDMO O=[N+]([O-])c1ccc(Cl)cc1C[N@@H+]1CC[C@@]2(CC2(F)F)C1 ZINC000844469964 630732925 /nfs/dbraw/zinc/73/29/25/630732925.db2.gz FOPZCFWVNHEOSI-GFCCVEGCSA-N 1 1 302.708 3.479 20 5 DGBDMO O=[N+]([O-])c1ccc(Cl)cc1C[N@H+]1CC[C@@]2(CC2(F)F)C1 ZINC000844469964 630732927 /nfs/dbraw/zinc/73/29/27/630732927.db2.gz FOPZCFWVNHEOSI-GFCCVEGCSA-N 1 1 302.708 3.479 20 5 DGBDMO O=[N+]([O-])c1ccc(Cl)c(CN[C@@H]2CCC[N@H+]3CCCC[C@H]23)c1 ZINC000848575492 631701218 /nfs/dbraw/zinc/70/12/18/631701218.db2.gz RILYNIAUIDYFJR-HZPDHXFCSA-N 1 1 323.824 3.355 20 5 DGBDMO O=[N+]([O-])c1ccc(Cl)c(C[NH2+][C@@H]2CCCN3CCCC[C@H]23)c1 ZINC000848575492 631701224 /nfs/dbraw/zinc/70/12/24/631701224.db2.gz RILYNIAUIDYFJR-HZPDHXFCSA-N 1 1 323.824 3.355 20 5 DGBDMO CC1(C)OC[C@H](CC[N@@H+](Cc2ccccc2[N+](=O)[O-])C2CC2)O1 ZINC000851861890 632510058 /nfs/dbraw/zinc/51/00/58/632510058.db2.gz TWEMDXSPDZKBFN-HNNXBMFYSA-N 1 1 320.389 3.101 20 5 DGBDMO C[N@H+]1CC[C@@]2(C1)CCCN(Cc1cc([N+](=O)[O-])ccc1Cl)C2 ZINC000852109034 632556540 /nfs/dbraw/zinc/55/65/40/632556540.db2.gz STVQJFDADXJHDZ-MRXNPFEDSA-N 1 1 323.824 3.166 20 5 DGBDMO CO[C@@H]1CC[C@H]([N@H+]2CCC[C@@H](c3ccc([N+](=O)[O-])cc3)C2)C1 ZINC000852135545 632561168 /nfs/dbraw/zinc/56/11/68/632561168.db2.gz PQDYURJSAFAYBU-HYVNUMGLSA-N 1 1 304.390 3.342 20 5 DGBDMO CO[C@@H]1CC[C@@H]([N@H+]2CCC[C@@H](c3ccc([N+](=O)[O-])cc3)C2)C1 ZINC000852135543 632561441 /nfs/dbraw/zinc/56/14/41/632561441.db2.gz PQDYURJSAFAYBU-DJIMGWMZSA-N 1 1 304.390 3.342 20 5 DGBDMO C[C@@H]1CCC[N@@H+](Cc2cc(Cl)ccc2[N+](=O)[O-])[C@@H]1CCO ZINC000852455986 632605832 /nfs/dbraw/zinc/60/58/32/632605832.db2.gz HMTASBUPIVHJDC-BXUZGUMPSA-N 1 1 312.797 3.231 20 5 DGBDMO O=[N+]([O-])c1ccc(Cl)cc1C[N@@H+]1CCCCC[C@@H]1CCO ZINC000792928461 660994660 /nfs/dbraw/zinc/99/46/60/660994660.db2.gz UBACBDQQGNUOTG-CQSZACIVSA-N 1 1 312.797 3.375 20 5 DGBDMO O=[N+]([O-])c1ccc(C[N@H+]2CCC[C@H]2[C@H]2CCCO2)cc1Cl ZINC000793610315 661049897 /nfs/dbraw/zinc/04/98/97/661049897.db2.gz SXONUOHTZQAZDL-LSDHHAIUSA-N 1 1 310.781 3.392 20 5 DGBDMO O=[N+]([O-])c1ccc2c(c1)[C@H]([NH2+]Cc1cccnc1F)CCC2 ZINC000794826144 661107463 /nfs/dbraw/zinc/10/74/63/661107463.db2.gz AHSUPBZWIHPLGP-OAHLLOKOSA-N 1 1 301.321 3.296 20 5 DGBDMO Cc1csc(C[C@@H]2CC[N@@H+](Cc3ccccc3[N+](=O)[O-])C2)n1 ZINC000933125898 655683492 /nfs/dbraw/zinc/68/34/92/655683492.db2.gz LGCLJSOVVNMYAD-ZDUSSCGKSA-N 1 1 317.414 3.424 20 5 DGBDMO C[C@@H](CN1CCCCC1)[NH2+]Cc1cc(Cl)ccc1[N+](=O)[O-] ZINC000093632817 655704933 /nfs/dbraw/zinc/70/49/33/655704933.db2.gz MGKQIVIWEIMXLO-LBPRGKRZSA-N 1 1 311.813 3.212 20 5 DGBDMO CCc1[nH+]c(C)cn1Cc1cccc([N+](=O)[O-])c1Br ZINC000715114972 661208684 /nfs/dbraw/zinc/20/86/84/661208684.db2.gz ISTWNZKBLUESNK-UHFFFAOYSA-N 1 1 324.178 3.473 20 5 DGBDMO C[C@H](CN1CCCCC1)[NH2+]Cc1cc(Cl)ccc1[N+](=O)[O-] ZINC000093632818 657118488 /nfs/dbraw/zinc/11/84/88/657118488.db2.gz MGKQIVIWEIMXLO-GFCCVEGCSA-N 1 1 311.813 3.212 20 5 DGBDMO O=[N+]([O-])c1ccnn1C[N@@H+]1CCC[C@@H](c2ccccc2)CC1 ZINC000171045758 659256111 /nfs/dbraw/zinc/25/61/11/659256111.db2.gz OSXIGOBOLHSWKK-OAHLLOKOSA-N 1 1 300.362 3.019 20 5 DGBDMO O=[N+]([O-])c1ccnn1C[N@H+]1CCC[C@@H](c2ccccc2)CC1 ZINC000171045758 659256115 /nfs/dbraw/zinc/25/61/15/659256115.db2.gz OSXIGOBOLHSWKK-OAHLLOKOSA-N 1 1 300.362 3.019 20 5 DGBDMO CN(Cc1cc([N+](=O)[O-])ccc1Cl)C[C@@H]1CCC[N@@H+](C)C1 ZINC000172584066 659345599 /nfs/dbraw/zinc/34/55/99/659345599.db2.gz YXGYTIIUNNHXTH-GFCCVEGCSA-N 1 1 311.813 3.022 20 5 DGBDMO Cc1cccc([C@H]2CCC[N@@H+]2Cn2cc([N+](=O)[O-])cn2)c1C ZINC000172912573 659363351 /nfs/dbraw/zinc/36/33/51/659363351.db2.gz ONSWKMXJQLHCTL-MRXNPFEDSA-N 1 1 300.362 3.203 20 5 DGBDMO Cc1cccc([C@H]2CCC[N@H+]2Cn2cc([N+](=O)[O-])cn2)c1C ZINC000172912573 659363354 /nfs/dbraw/zinc/36/33/54/659363354.db2.gz ONSWKMXJQLHCTL-MRXNPFEDSA-N 1 1 300.362 3.203 20 5 DGBDMO CC(C)[N@@H+](CC(=O)Nc1ccc(Cl)c([N+](=O)[O-])c1)C1CC1 ZINC000063492942 659390380 /nfs/dbraw/zinc/39/03/80/659390380.db2.gz LRUYVXLXBHGBBE-UHFFFAOYSA-N 1 1 311.769 3.060 20 5 DGBDMO CCc1onc(C)c1C[N@@H+](C)CCc1ccccc1[N+](=O)[O-] ZINC000930440509 661398594 /nfs/dbraw/zinc/39/85/94/661398594.db2.gz OAWQDHXCEUTTFK-UHFFFAOYSA-N 1 1 303.362 3.128 20 5 DGBDMO C[C@H](c1cccc([N+](=O)[O-])c1)[N@H+]1CCC[C@H](c2ccn(C)n2)C1 ZINC000932140073 661541647 /nfs/dbraw/zinc/54/16/47/661541647.db2.gz VABMSCUUHFIUEI-HIFRSBDPSA-N 1 1 314.389 3.269 20 5 DGBDMO O=[N+]([O-])c1ccc2oc(C[NH+]3CCC(F)(C4CC4)CC3)nc2c1 ZINC000932630087 661587591 /nfs/dbraw/zinc/58/75/91/661587591.db2.gz CGPDLSIMHDLUSQ-UHFFFAOYSA-N 1 1 319.336 3.450 20 5 DGBDMO COc1cc(C[NH2+][C@H](C)c2cncs2)c([N+](=O)[O-])cc1F ZINC000934196412 661685990 /nfs/dbraw/zinc/68/59/90/661685990.db2.gz ZRLUHOFNONKUMA-MRVPVSSYSA-N 1 1 311.338 3.050 20 5 DGBDMO O=[N+]([O-])c1ccc(C[N@@H+]2CC[C@H](Cc3nccs3)C2)c(F)c1 ZINC000934331740 661698214 /nfs/dbraw/zinc/69/82/14/661698214.db2.gz DPFJEISMSAWUQB-LLVKDONJSA-N 1 1 321.377 3.255 20 5 DGBDMO O=[N+]([O-])c1ccc(C[N@H+]2CC[C@H](Cc3nccs3)C2)c(F)c1 ZINC000934331740 661698215 /nfs/dbraw/zinc/69/82/15/661698215.db2.gz DPFJEISMSAWUQB-LLVKDONJSA-N 1 1 321.377 3.255 20 5 DGBDMO O=[N+]([O-])c1ccc(C[N@H+]2CCCC[C@H]([C@@H]3CCOC3)C2)c(F)c1 ZINC000934838960 661739923 /nfs/dbraw/zinc/73/99/23/661739923.db2.gz RLWDPDWZCNWKNA-DZGCQCFKSA-N 1 1 322.380 3.373 20 5 DGBDMO O=[N+]([O-])c1ccc(Cl)c(C[N@H+](CCO)C2CCCCC2)c1 ZINC000042503416 661840652 /nfs/dbraw/zinc/84/06/52/661840652.db2.gz MYRRUHYEMSCQNX-UHFFFAOYSA-N 1 1 312.797 3.375 20 5 DGBDMO CCC[N@@H+](Cn1cc([N+](=O)[O-])cn1)[C@H]1CCc2ccccc2C1 ZINC000194018115 662154986 /nfs/dbraw/zinc/15/49/86/662154986.db2.gz ANAKEIMRVYOFJC-INIZCTEOSA-N 1 1 314.389 3.018 20 5 DGBDMO C[C@@H]([NH2+]Cc1csc([N+](=O)[O-])c1)c1cccc([N+](=O)[O-])c1 ZINC000037775624 662253580 /nfs/dbraw/zinc/25/35/80/662253580.db2.gz NPPWHQTZRMXXNI-SECBINFHSA-N 1 1 307.331 3.415 20 5 DGBDMO O=[N+]([O-])c1cccc([C@@H](O)C[N@H+]2CCC[C@H]2C2CCCC2)c1 ZINC000246361452 662255340 /nfs/dbraw/zinc/25/53/40/662255340.db2.gz XMFSMHUWUIJPEL-IRXDYDNUSA-N 1 1 304.390 3.283 20 5 DGBDMO CC(C)c1ccc(CN[C@H]2C[N@@H+](C3CC3)C[C@@H]2C)cc1[N+](=O)[O-] ZINC001620850906 1192455294 /nfs/dbraw/zinc/45/52/94/1192455294.db2.gz ROMKXBFTTMWCIE-GUYCJALGSA-N 1 1 317.433 3.291 20 5 DGBDMO CC(C)c1ccc(CN[C@H]2C[N@H+](C3CC3)C[C@@H]2C)cc1[N+](=O)[O-] ZINC001620850906 1192455295 /nfs/dbraw/zinc/45/52/95/1192455295.db2.gz ROMKXBFTTMWCIE-GUYCJALGSA-N 1 1 317.433 3.291 20 5 DGBDMO COc1ccccc1C1([NH2+]Cc2cccnc2[N+](=O)[O-])CCC1 ZINC001332364023 1178427835 /nfs/dbraw/zinc/42/78/35/1178427835.db2.gz CYMUGAWOXBLPPW-UHFFFAOYSA-N 1 1 313.357 3.167 20 5 DGBDMO O=[N+]([O-])c1cnc(N2CCC(c3[nH]cc[nH+]3)CC2)c2ccccc21 ZINC001333351010 1178592515 /nfs/dbraw/zinc/59/25/15/1178592515.db2.gz LWFAGARMXFXXJJ-UHFFFAOYSA-N 1 1 323.356 3.250 20 5 DGBDMO O=[N+]([O-])c1cnc(N[C@H]2CC[N@H+]3CCCC[C@H]23)c2ccccc21 ZINC001333347625 1178592748 /nfs/dbraw/zinc/59/27/48/1178592748.db2.gz ZQSNOTOLTWUPLM-LSDHHAIUSA-N 1 1 312.373 3.182 20 5 DGBDMO O=[N+]([O-])c1ccc2[nH]c(C[N@H+]3CC[C@@H]4CCCC[C@H]4C3)nc2c1 ZINC001343794344 1179332628 /nfs/dbraw/zinc/33/26/28/1179332628.db2.gz FXRVJKVPDLIGGZ-STQMWFEESA-N 1 1 314.389 3.483 20 5 DGBDMO C[C@@H]1C[C@H](Nc2ncc([N+](=O)[O-])c3ccccc32)C[N@H+]1C1CC1 ZINC001349995497 1179994309 /nfs/dbraw/zinc/99/43/09/1179994309.db2.gz QIVRIUXQNOYGCT-NEPJUHHUSA-N 1 1 312.373 3.180 20 5 DGBDMO CCCC[N@@H+](C)C[C@@H](C)Nc1c(F)cc([N+](=O)[O-])cc1F ZINC001458402837 1182521083 /nfs/dbraw/zinc/52/10/83/1182521083.db2.gz BSUKYLWIPCIOGC-SNVBAGLBSA-N 1 1 301.337 3.405 20 5 DGBDMO C[C@@H]1CCC[C@@H](C[N@H+]2CC[C@H](Nc3ccc([N+](=O)[O-])cn3)C2)C1 ZINC001459702353 1182606775 /nfs/dbraw/zinc/60/67/75/1182606775.db2.gz VUSCIECIHIHNAP-KFWWJZLASA-N 1 1 318.421 3.302 20 5 DGBDMO C[N@H+]1CCN(Cc2c(F)cccc2[N+](=O)[O-])CC12CCCCC2 ZINC001460128377 1182653888 /nfs/dbraw/zinc/65/38/88/1182653888.db2.gz JLOLSQCOUXNNCY-UHFFFAOYSA-N 1 1 321.396 3.184 20 5 DGBDMO CC(C)[C@H]1CN(Cc2ccc(Cl)c([N+](=O)[O-])c2)CC[N@H+]1C ZINC001460661010 1182705182 /nfs/dbraw/zinc/70/51/82/1182705182.db2.gz YWSGIWJZMJDMQC-OAHLLOKOSA-N 1 1 311.813 3.020 20 5 DGBDMO CCC[C@H]1CCC[N@@H+](Cc2ccc(O)c(OC)c2[N+](=O)[O-])C1 ZINC001461914808 1182874228 /nfs/dbraw/zinc/87/42/28/1182874228.db2.gz QXWFTLMEMKMWSX-LBPRGKRZSA-N 1 1 308.378 3.321 20 5 DGBDMO COc1c(O)ccc(C[N@@H+](C)[C@@H]2CCC(C)(C)C2)c1[N+](=O)[O-] ZINC001462181263 1182919511 /nfs/dbraw/zinc/91/95/11/1182919511.db2.gz UHSPGXDMPSDWRT-GFCCVEGCSA-N 1 1 308.378 3.320 20 5 DGBDMO CC(C)[N@@H+](C)CCCNc1ncc([N+](=O)[O-])c2ccccc21 ZINC001472654198 1183661859 /nfs/dbraw/zinc/66/18/59/1183661859.db2.gz OUWYZXITKQDINO-UHFFFAOYSA-N 1 1 302.378 3.285 20 5 DGBDMO CCC[N@@H+](CCc1ccc([N+](=O)[O-])cc1)[C@H](CC)C(=O)OCC ZINC001473382096 1183749900 /nfs/dbraw/zinc/74/99/00/1183749900.db2.gz SXJNAZXQMIIRIV-MRXNPFEDSA-N 1 1 322.405 3.191 20 5 DGBDMO COc1ccc(C[NH2+]Cc2cc(C)ccc2F)cc1[N+](=O)[O-] ZINC001473987245 1183844609 /nfs/dbraw/zinc/84/46/09/1183844609.db2.gz JULCUVPGFVGDCX-UHFFFAOYSA-N 1 1 304.321 3.341 20 5 DGBDMO Cc1nc2ccccc2nc1C[NH2+]Cc1cccc([N+](=O)[O-])c1C ZINC001474442461 1183923496 /nfs/dbraw/zinc/92/34/96/1183923496.db2.gz WXJBQBQKXHWGDE-UHFFFAOYSA-N 1 1 322.368 3.445 20 5 DGBDMO CCCC[N@@H+](C)C[C@H](C)Nc1ccc([N+](=O)[O-])c(OC(C)C)n1 ZINC001612445822 1193452088 /nfs/dbraw/zinc/45/20/88/1193452088.db2.gz GRDWYEUEFHVDBU-ZDUSSCGKSA-N 1 1 324.425 3.309 20 5 DGBDMO C[C@@H](Cc1ccsc1)[N@@H+](C)C[C@H](O)c1ccc([N+](=O)[O-])cc1 ZINC001615783032 1193528019 /nfs/dbraw/zinc/52/80/19/1193528019.db2.gz QHRKBAINDWQMGL-LRDDRELGSA-N 1 1 320.414 3.253 20 5 DGBDMO Cc1ccc(N2CC([N@@H+](C)Cc3ccccc3)C2)c([N+](=O)[O-])c1 ZINC001559188358 1189179235 /nfs/dbraw/zinc/17/92/35/1189179235.db2.gz YNAXZBMNLMNAQO-UHFFFAOYSA-N 1 1 311.385 3.224 20 5 DGBDMO CC1(C)CC[N@@H+](CCNc2nc3ccc([N+](=O)[O-])cc3s2)C1 ZINC001559300112 1189194756 /nfs/dbraw/zinc/19/47/56/1189194756.db2.gz BVTUUEOFLTZDJO-UHFFFAOYSA-N 1 1 320.418 3.348 20 5 DGBDMO C[C@@H]1C[N@@H+](CCOc2cccc([N+](=O)[O-])c2)[C@H]2CCCC[C@@H]12 ZINC001559673440 1189229660 /nfs/dbraw/zinc/22/96/60/1189229660.db2.gz KCUFRZSSUMESNA-COXVUDFISA-N 1 1 304.390 3.484 20 5 DGBDMO O=[N+]([O-])c1ccc(F)cc1C[N@@H+]1CCCC[C@@H]1[C@@H]1CCCO1 ZINC001560223503 1189293561 /nfs/dbraw/zinc/29/35/61/1189293561.db2.gz ANMFXVKVXBIIRC-CVEARBPZSA-N 1 1 308.353 3.267 20 5 DGBDMO O=[N+]([O-])c1ccc(F)cc1C[N@H+]1CCCC[C@@H]1[C@@H]1CCCO1 ZINC001560223503 1189293564 /nfs/dbraw/zinc/29/35/64/1189293564.db2.gz ANMFXVKVXBIIRC-CVEARBPZSA-N 1 1 308.353 3.267 20 5 DGBDMO O=[N+]([O-])c1ccc(F)cc1C[N@@H+]1CCCC[C@H]1[C@@H]1CCCO1 ZINC001560223504 1189293803 /nfs/dbraw/zinc/29/38/03/1189293803.db2.gz ANMFXVKVXBIIRC-HOTGVXAUSA-N 1 1 308.353 3.267 20 5 DGBDMO O=[N+]([O-])c1ccc(F)cc1C[N@H+]1CCCC[C@H]1[C@@H]1CCCO1 ZINC001560223504 1189293805 /nfs/dbraw/zinc/29/38/05/1189293805.db2.gz ANMFXVKVXBIIRC-HOTGVXAUSA-N 1 1 308.353 3.267 20 5 DGBDMO O=[N+]([O-])c1cc(C[N@@H+]2CCCC[C@@]23CCOC3)ccc1Cl ZINC001560233140 1189295894 /nfs/dbraw/zinc/29/58/94/1189295894.db2.gz SCLGSQJZLCDRAG-HNNXBMFYSA-N 1 1 310.781 3.393 20 5 DGBDMO O=[N+]([O-])c1cc(C[N@H+]2CCCC[C@@]23CCOC3)ccc1Cl ZINC001560233140 1189295896 /nfs/dbraw/zinc/29/58/96/1189295896.db2.gz SCLGSQJZLCDRAG-HNNXBMFYSA-N 1 1 310.781 3.393 20 5 DGBDMO CC(C)(C)[C@H]1CSCC[N@H+]1CCOc1cccc([N+](=O)[O-])c1 ZINC001620533992 1193777195 /nfs/dbraw/zinc/77/71/95/1193777195.db2.gz DUJZSEJMTNFSAV-OAHLLOKOSA-N 1 1 324.446 3.437 20 5 DGBDMO O=[N+]([O-])c1cc(Cl)ccc1C[N@@H+]1CC[C@@H](c2ncccn2)C1 ZINC001620618919 1193784087 /nfs/dbraw/zinc/78/40/87/1193784087.db2.gz QKXYUQKXJSXUFI-GFCCVEGCSA-N 1 1 318.764 3.028 20 5 DGBDMO O=[N+]([O-])c1cc(Cl)ccc1C[N@H+]1CC[C@@H](c2ncccn2)C1 ZINC001620618919 1193784094 /nfs/dbraw/zinc/78/40/94/1193784094.db2.gz QKXYUQKXJSXUFI-GFCCVEGCSA-N 1 1 318.764 3.028 20 5 DGBDMO CCC[C@H]1CCC[N@H+]1CCC(=O)Nc1cc([N+](=O)[O-])ccc1C ZINC001620643983 1193786151 /nfs/dbraw/zinc/78/61/51/1193786151.db2.gz VFGCUCKFELAGGY-AWEZNQCLSA-N 1 1 319.405 3.496 20 5 DGBDMO CC(C)(C)[N@H+]1CC[C@H]1CNc1nc2ccc([N+](=O)[O-])cc2s1 ZINC001640149718 1194798893 /nfs/dbraw/zinc/79/88/93/1194798893.db2.gz OZGQBLBUHQERQZ-NSHDSACASA-N 1 1 320.418 3.489 20 5 DGBDMO CC[N@@H+]1[C@H](C)CN(c2ccc3cnccc3c2[N+](=O)[O-])C[C@@H]1C ZINC001640329604 1194806749 /nfs/dbraw/zinc/80/67/49/1194806749.db2.gz HOTJGUCQBQNVKP-BETUJISGSA-N 1 1 314.389 3.062 20 5 DGBDMO CC[N@H+]1CCC[C@@H](CNc2nc3c(cc2[N+](=O)[O-])CCCC3)C1 ZINC001642154350 1194890802 /nfs/dbraw/zinc/89/08/02/1194890802.db2.gz WPEIGNSPKSYCMS-ZDUSSCGKSA-N 1 1 318.421 3.012 20 5 DGBDMO C[C@H]1CN(c2ccccc2[N+](=O)[O-])CC[N@H+]1Cc1ccccc1 ZINC001642792852 1194940141 /nfs/dbraw/zinc/94/01/41/1194940141.db2.gz BAHCQHOKNRRVMV-HNNXBMFYSA-N 1 1 311.385 3.306 20 5 DGBDMO COCC[N@@H+](CCOc1cccc([N+](=O)[O-])c1)[C@H]1CC[C@@H](C)C1 ZINC001642938076 1194955388 /nfs/dbraw/zinc/95/53/88/1194955388.db2.gz JQMXIGPSKMEOAF-CABCVRRESA-N 1 1 322.405 3.111 20 5 DGBDMO CCC[N@@H+](C)CC(C)(C)Nc1ccc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC001642974153 1194958168 /nfs/dbraw/zinc/95/81/68/1194958168.db2.gz MVVKBLYHCUOCPV-UHFFFAOYSA-N 1 1 310.354 3.035 20 5 DGBDMO CC[N@@H+]1[C@H](C)CN([C@@H](C)c2cc([N+](=O)[O-])ccc2C)C[C@@H]1C ZINC001643636944 1195041809 /nfs/dbraw/zinc/04/18/09/1195041809.db2.gz FAELTTOWLRBITQ-ZNMIVQPWSA-N 1 1 305.422 3.379 20 5 DGBDMO O=[N+]([O-])c1ccc(OCC[N@H+]2CCC[C@H](C3CCC3)C2)cc1 ZINC001643881969 1195059990 /nfs/dbraw/zinc/05/99/90/1195059990.db2.gz AWZZWDRFYGVKPI-HNNXBMFYSA-N 1 1 304.390 3.486 20 5 DGBDMO CCCCO[C@@H]1C[C@@H]([N@H+](C)Cc2cccnc2[N+](=O)[O-])C1(C)C ZINC001644890582 1195140524 /nfs/dbraw/zinc/14/05/24/1195140524.db2.gz JLBQEORXQREVRF-HUUCEWRRSA-N 1 1 321.421 3.405 20 5 DGBDMO CCCCO[C@@H]1C[C@@H]([N@@H+](C)Cc2cccnc2[N+](=O)[O-])C1(C)C ZINC001644890582 1195140528 /nfs/dbraw/zinc/14/05/28/1195140528.db2.gz JLBQEORXQREVRF-HUUCEWRRSA-N 1 1 321.421 3.405 20 5 DGBDMO CCCC[N@@H+](CCn1cc([N+](=O)[O-])cn1)[C@H]1CCC[C@H](C)C1 ZINC001645913458 1195207006 /nfs/dbraw/zinc/20/70/06/1195207006.db2.gz WNHJJWOENIYKJD-GJZGRUSLSA-N 1 1 308.426 3.472 20 5 DGBDMO Cc1n[nH]cc1C[NH2+]Cc1ccc(-c2ccccc2[N+](=O)[O-])o1 ZINC001648778151 1195330076 /nfs/dbraw/zinc/33/00/76/1195330076.db2.gz QIMWBZYMLYDEJU-UHFFFAOYSA-N 1 1 312.329 3.176 20 5 DGBDMO Cc1c(CNC[C@H]2CC[N@@H+]2C2CCCCC2)cccc1[N+](=O)[O-] ZINC001651335989 1195445360 /nfs/dbraw/zinc/44/53/60/1195445360.db2.gz WRVSLELJMPXVFO-QGZVFWFLSA-N 1 1 317.433 3.400 20 5 DGBDMO Cc1c(CNC[C@H]2CC[N@H+]2C2CCCCC2)cccc1[N+](=O)[O-] ZINC001651335989 1195445367 /nfs/dbraw/zinc/44/53/67/1195445367.db2.gz WRVSLELJMPXVFO-QGZVFWFLSA-N 1 1 317.433 3.400 20 5 DGBDMO C[C@H](CNc1c(F)cc([N+](=O)[O-])cc1F)[N@H+]1CCC[C@@H](C)C1 ZINC001651373619 1195450971 /nfs/dbraw/zinc/45/09/71/1195450971.db2.gz JKUVEPBRVJNWCX-GHMZBOCLSA-N 1 1 313.348 3.405 20 5 DGBDMO C[C@H]1[C@H](Nc2cc(C(F)(F)F)ccc2[N+](=O)[O-])CC[N@H+]1C ZINC001651434767 1195460571 /nfs/dbraw/zinc/46/05/71/1195460571.db2.gz CPXDTYPHQIGOHH-WCBMZHEXSA-N 1 1 303.284 3.118 20 5 DGBDMO CC1(C)CC[N@@H+](CCNc2ncc([N+](=O)[O-])c3ccccc32)C1 ZINC001652315684 1195580723 /nfs/dbraw/zinc/58/07/23/1195580723.db2.gz OVEGVUKZSKRPED-UHFFFAOYSA-N 1 1 314.389 3.287 20 5 DGBDMO C[C@H]1CCC[C@@H]([N@@H+](C)CCC(=O)Nc2ccc([N+](=O)[O-])cc2)C1 ZINC001652364616 1195588062 /nfs/dbraw/zinc/58/80/62/1195588062.db2.gz SKHQVWVQGPNAHW-XJKSGUPXSA-N 1 1 319.405 3.434 20 5 DGBDMO C[C@H](C[NH+]1CC(Oc2ccc([N+](=O)[O-])cc2)C1)c1ccccc1 ZINC001652628579 1195629043 /nfs/dbraw/zinc/62/90/43/1195629043.db2.gz TUQHEINYVMNSHN-CQSZACIVSA-N 1 1 312.369 3.462 20 5 DGBDMO C[C@@H]([NH2+]CC(=O)c1ccccc1F)c1cccc([N+](=O)[O-])c1 ZINC001653056588 1195684956 /nfs/dbraw/zinc/68/49/56/1195684956.db2.gz RGGRSQHUUANHQA-LLVKDONJSA-N 1 1 302.305 3.267 20 5 DGBDMO CC(C)[C@H]1CCCC[N@H+]1CCC(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC001653381278 1195716141 /nfs/dbraw/zinc/71/61/41/1195716141.db2.gz DNXWMFGKZRVVQK-MRXNPFEDSA-N 1 1 319.405 3.434 20 5 DGBDMO CO[C@]1(C)C[C@H]([N@@H+](C)Cc2ccc(F)cc2[N+](=O)[O-])C1(C)C ZINC001653448876 1195724778 /nfs/dbraw/zinc/72/47/78/1195724778.db2.gz FZOGXZJKECLUTO-GOEBONIOSA-N 1 1 310.369 3.369 20 5 DGBDMO CC(C)C[C@]1(C)CCC[N@H+]1CC(=O)Nc1ccccc1[N+](=O)[O-] ZINC001653672936 1195742555 /nfs/dbraw/zinc/74/25/55/1195742555.db2.gz PWWQNTWQIWAEGI-KRWDZBQOSA-N 1 1 319.405 3.434 20 5 DGBDMO CCCC[N@@H+](CCn1ccc([N+](=O)[O-])n1)[C@@H]1CCC[C@H](C)C1 ZINC001653736472 1195747361 /nfs/dbraw/zinc/74/73/61/1195747361.db2.gz ULQUCCNXZLYFBB-LSDHHAIUSA-N 1 1 308.426 3.472 20 5 DGBDMO CC(C)[C@@H](O)CC[N@H+]1CCC[C@@H](c2ccc([N+](=O)[O-])cc2)C1 ZINC001654498744 1195809998 /nfs/dbraw/zinc/80/99/98/1195809998.db2.gz HXFVNCFJSQZICD-WBVHZDCISA-N 1 1 306.406 3.181 20 5 DGBDMO O=[N+]([O-])c1ccc(OCCC[N@H+]2CC[C@@H]3CSC[C@H]3C2)cc1 ZINC001654541784 1195815567 /nfs/dbraw/zinc/81/55/67/1195815567.db2.gz YAYXHOALESPSDE-ZIAGYGMSSA-N 1 1 322.430 3.049 20 5 DGBDMO CCC(CC)[N@@H+](CC)CCC(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC001654608534 1195823105 /nfs/dbraw/zinc/82/31/05/1195823105.db2.gz KJBHNHHEMWOSOK-UHFFFAOYSA-N 1 1 307.394 3.434 20 5 DGBDMO Cc1c(C[NH2+][C@H](C)CN2C[C@@H](C)C[C@H](C)C2)cccc1[N+](=O)[O-] ZINC001655404295 1195912762 /nfs/dbraw/zinc/91/27/62/1195912762.db2.gz UXNYBEAGGWBIPM-SOUVJXGZSA-N 1 1 319.449 3.359 20 5 DGBDMO CC[C@@H]1CC[N@@H+](CCC(=O)Nc2cccc([N+](=O)[O-])c2C)[C@@H]1C ZINC001658341373 1196243896 /nfs/dbraw/zinc/24/38/96/1196243896.db2.gz RLBBGMYMJXPVQY-ZIAGYGMSSA-N 1 1 319.405 3.352 20 5 DGBDMO O=[N+]([O-])c1cccc(Br)c1C[NH2+]C/C=C/Cl ZINC001658716953 1196292415 /nfs/dbraw/zinc/29/24/15/1196292415.db2.gz BLHZPLPFSUGLLU-GORDUTHDSA-N 1 1 305.559 3.199 20 5 DGBDMO COc1ccc(OCC[N@H+]2CC[C@H](C3CCC3)C2)c([N+](=O)[O-])c1 ZINC001658997404 1196329747 /nfs/dbraw/zinc/32/97/47/1196329747.db2.gz FLZUGUIRZGRBTB-AWEZNQCLSA-N 1 1 320.389 3.104 20 5 DGBDMO CC(C)(C)[N@H+]1CC[C@H](NCc2ccc(Cl)cc2[N+](=O)[O-])C1 ZINC001660263774 1196463383 /nfs/dbraw/zinc/46/33/83/1196463383.db2.gz WSNVPHUYKFDVDA-ZDUSSCGKSA-N 1 1 311.813 3.211 20 5 DGBDMO Cn1c[nH+]c2c1ccc1c2CCCN1Cc1ccccc1[N+](=O)[O-] ZINC001660625129 1196505494 /nfs/dbraw/zinc/50/54/94/1196505494.db2.gz BEFAQJOTULAQMJ-UHFFFAOYSA-N 1 1 322.368 3.434 20 5 DGBDMO CCCn1cncc1C[NH2+]C(C)(C)c1ccccc1[N+](=O)[O-] ZINC001662536908 1196728635 /nfs/dbraw/zinc/72/86/35/1196728635.db2.gz WBVQCCFIMWDNCR-UHFFFAOYSA-N 1 1 302.378 3.226 20 5 DGBDMO CO[C@](C)(C[N@@H+](C)Cc1cc([N+](=O)[O-])ccc1Cl)C1CC1 ZINC001663641160 1196920004 /nfs/dbraw/zinc/92/00/04/1196920004.db2.gz JBPMAINJJGKXQJ-OAHLLOKOSA-N 1 1 312.797 3.495 20 5 DGBDMO CC(C)(C)[N@H+]1CC[C@@H]1CNCc1ccc(Cl)cc1[N+](=O)[O-] ZINC001665217818 1197110742 /nfs/dbraw/zinc/11/07/42/1197110742.db2.gz LTHXKLCXHADLMP-CYBMUJFWSA-N 1 1 311.813 3.211 20 5 DGBDMO CC(C)(C)[N@@H+]1CC[C@@H]1CNCc1ccc(Cl)cc1[N+](=O)[O-] ZINC001665217818 1197110738 /nfs/dbraw/zinc/11/07/38/1197110738.db2.gz LTHXKLCXHADLMP-CYBMUJFWSA-N 1 1 311.813 3.211 20 5 DGBDMO