smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name CC(C)(C)[C@@H]1CCCC[C@H]1[NH2+]C[C@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000072605815 191200159 /nfs/dbraw/zinc/20/01/59/191200159.db2.gz ZRKPVRRHROONNE-RRFJBIMHSA-N 1 0 324.425 2.347 50 5 DEBARO CCOC(=O)N(CC[NH+](CC)CC)c1ncc([N+](=O)[O-])s1 ZINC000096027484 355698140 /nfs/dbraw/zinc/69/81/40/355698140.db2.gz YFJZHVJWHFDWFN-UHFFFAOYSA-N 1 0 316.383 2.356 50 5 DEBARO C[C@@H]([NH2+]C[C@H](c1cnn(C)c1)N(C)C)c1ccc([N+](=O)[O-])cc1 ZINC000095422657 296132683 /nfs/dbraw/zinc/13/26/83/296132683.db2.gz RBLBMKCWTJCNJZ-MLGOLLRUSA-N 1 0 317.393 2.282 50 5 DEBARO O=[N+]([O-])c1ccc(N2CC[NH2+]CC2)cc1NCc1ccco1 ZINC000004333956 401726156 /nfs/dbraw/zinc/72/61/56/401726156.db2.gz KDQLWCWVKPPGQU-UHFFFAOYSA-N 1 0 302.334 2.210 50 5 DEBARO C[C@@H](CCS(C)(=O)=O)[NH2+][C@@H](C)c1ccc([N+](=O)[O-])cc1 ZINC000095969383 402038292 /nfs/dbraw/zinc/03/82/92/402038292.db2.gz MRVXSYYPFRAPTO-QWRGUYRKSA-N 1 0 300.380 2.069 50 5 DEBARO C[C@H]([NH2+]C(CO)CO)c1ccc(-c2ccccc2[N+](=O)[O-])s1 ZINC000095968591 402038505 /nfs/dbraw/zinc/03/85/05/402038505.db2.gz VHCHYVYHEODKLI-JTQLQIEISA-N 1 0 322.386 2.327 50 5 DEBARO Cc1ccsc1C[NH2+][C@H](CO)[C@@H](O)c1ccc([N+](=O)[O-])cc1 ZINC000085324904 539399826 /nfs/dbraw/zinc/39/98/26/539399826.db2.gz SMZOQDVOXGNVTI-HIFRSBDPSA-N 1 0 322.386 2.149 50 5 DEBARO Cc1[nH]nc(C(=O)Nc2ccc(C)cc2C[NH+](C)C)c1[N+](=O)[O-] ZINC000072840676 191237151 /nfs/dbraw/zinc/23/71/51/191237151.db2.gz NAXJXNKUFAUXNC-UHFFFAOYSA-N 1 0 317.349 2.249 50 5 DEBARO C[C@@H](NC(=O)N(C)C[C@@H]1CC[N@H+](C)C1)c1cccc([N+](=O)[O-])c1 ZINC000078757796 355277833 /nfs/dbraw/zinc/27/78/33/355277833.db2.gz REFQDNMXDGDGLV-CHWSQXEVSA-N 1 0 320.393 2.249 50 5 DEBARO COc1ccc(C(=O)NCC[NH+]2CCCCCC2)cc1[N+](=O)[O-] ZINC000040074567 183031266 /nfs/dbraw/zinc/03/12/66/183031266.db2.gz NFEFESBEQBFROH-UHFFFAOYSA-N 1 0 321.377 2.209 50 5 DEBARO CC[N+]1(C[C@H](O)CO[C@@H]2C[C@H](C)CC(C)(C)C2)CCOCC1 ZINC000005447317 401729764 /nfs/dbraw/zinc/72/97/64/401729764.db2.gz LDHSDHWSXOQHLI-YESZJQIVSA-N 1 0 314.490 2.446 50 5 DEBARO CC[C@@](CO)(C(=O)O[C@H]1C[N+]2(C)CCC1CC2)c1ccccc1 ZINC000000355493 401695306 /nfs/dbraw/zinc/69/53/06/401695306.db2.gz FQSXHTCAEAKDPA-QVWCLXPZSA-N 1 0 318.437 2.109 50 5 DEBARO C[C@@H]1CC[C@@H]2[C@H](C[N+](C)(C)C)C(=O)O[C@@]23[C@@H]2O[C@]2(C)CC[C@@H]13 ZINC000229592057 402344079 /nfs/dbraw/zinc/34/40/79/402344079.db2.gz SNGWWISTWVXYJT-JWRZGSRUSA-N 1 0 308.442 2.218 50 5 DEBARO C[C@@H](c1cccc([N+](=O)[O-])c1)[N@@H+]1CCC[C@@H](C(=O)N(C)C)C1 ZINC000229718443 402344971 /nfs/dbraw/zinc/34/49/71/402344971.db2.gz LERLPENLESAIQV-GXTWGEPZSA-N 1 0 305.378 2.456 50 5 DEBARO O=[N+]([O-])c1cccnc1NC1CC[NH+](C2CCOCC2)CC1 ZINC000585092896 405865670 /nfs/dbraw/zinc/86/56/70/405865670.db2.gz SVVMFQZHKMSZHT-UHFFFAOYSA-N 1 0 306.366 2.045 50 5 DEBARO Cc1c([C@H](C)NC[C@H]2C[N@@H+]3CCC[C@H]3CO2)cccc1[N+](=O)[O-] ZINC000252512124 424888361 /nfs/dbraw/zinc/88/83/61/424888361.db2.gz MYEUNCHBJXROHE-KKUMJFAQSA-N 1 0 319.405 2.417 50 5 DEBARO CCOc1ccc(C(=O)Cn2ccc(=[NH2+])cc2)cc1[N+](=O)[O-] ZINC000022018585 623334724 /nfs/dbraw/zinc/33/47/24/623334724.db2.gz OGBVEACJDSJBPS-UHFFFAOYSA-N 1 0 301.302 2.157 50 5 DEBARO COC(=O)[C@]1(C)[C@H](c2ccc(C)cc2)[C@H]([N+](=O)[O-])[C@H]2CCCN21 ZINC000643919609 778935547 /nfs/dbraw/zinc/93/55/47/778935547.db2.gz KCZDAYGAROCAGL-ANQUJSFKSA-N 1 0 318.373 2.134 50 5 DEBARO CNC(=O)c1ccc(N[C@@H](C)C(C)(C)C[NH+](C)C)c([N+](=O)[O-])c1 ZINC000072296159 191111748 /nfs/dbraw/zinc/11/17/48/191111748.db2.gz QPNZBAXPITVGSH-NSHDSACASA-N 1 0 322.409 2.343 50 5 DEBARO CN(CC[C@H]1CCCC[N@@H+]1C)C(=O)Cc1ccc([N+](=O)[O-])cc1 ZINC000072297696 191113348 /nfs/dbraw/zinc/11/33/48/191113348.db2.gz MFMYLNUMXVQCMT-OAHLLOKOSA-N 1 0 319.405 2.470 50 5 DEBARO CC[C@@H](C[NH+]1CCCC1)Nc1ccc(C(=O)NC)cc1[N+](=O)[O-] ZINC000072289214 354900026 /nfs/dbraw/zinc/90/00/26/354900026.db2.gz WGSVCHBOXQBCCQ-ZDUSSCGKSA-N 1 0 320.393 2.241 50 5 DEBARO C[C@H](c1cccc([N+](=O)[O-])c1)[N@@H+]1CCC[C@H](C(=O)N(C)C)C1 ZINC000058264586 184096146 /nfs/dbraw/zinc/09/61/46/184096146.db2.gz LERLPENLESAIQV-OCCSQVGLSA-N 1 0 305.378 2.456 50 5 DEBARO [NH2+]=C1Nc2nc3ccccc3n2[C@H](c2ccc([N+](=O)[O-])cc2)N1 ZINC000003177248 401722331 /nfs/dbraw/zinc/72/23/31/401722331.db2.gz ZYYGXYFZUAHEGK-CYBMUJFWSA-N 1 0 308.301 2.041 50 5 DEBARO O=[N+]([O-])c1ccccc1C[NH2+][C@@H]1CCN(c2ncccc2F)C1 ZINC000097036885 402101401 /nfs/dbraw/zinc/10/14/01/402101401.db2.gz KTFQAFQIIPRULK-CYBMUJFWSA-N 1 0 316.336 2.497 50 5 DEBARO Cc1ncc([N+](=O)[O-])cc1C(=O)NC[C@H]1[N@H+](C)CCCC1(C)C ZINC000225731704 402322986 /nfs/dbraw/zinc/32/29/86/402322986.db2.gz ADQBPXMNKMBBGJ-CQSZACIVSA-N 1 0 320.393 2.148 50 5 DEBARO Cc1ncc([N+](=O)[O-])cc1C(=O)NC[C@@H]1[N@H+](C)CCCC1(C)C ZINC000225731673 402323125 /nfs/dbraw/zinc/32/31/25/402323125.db2.gz ADQBPXMNKMBBGJ-AWEZNQCLSA-N 1 0 320.393 2.148 50 5 DEBARO CC[NH+](CC)CCCOc1ccc(C(=O)OC)cc1[N+](=O)[O-] ZINC000170605548 402507213 /nfs/dbraw/zinc/50/72/13/402507213.db2.gz VFKITHBERAWIIM-UHFFFAOYSA-N 1 0 310.350 2.492 50 5 DEBARO C[C@@H](CC[NH+]1CCN(C)CC1)Nc1cccc(F)c1[N+](=O)[O-] ZINC000274488891 403060638 /nfs/dbraw/zinc/06/06/38/403060638.db2.gz PPMCMHXABPNCHM-LBPRGKRZSA-N 1 0 310.373 2.172 50 5 DEBARO CC1(C)CC(=O)[C@H]([C@@H](O)c2ccc([N+](=O)[O-])cc2)C(C)(C)[NH2+]1 ZINC000004785681 278185851 /nfs/dbraw/zinc/18/58/51/278185851.db2.gz JILSLUDMEKLBRA-KGLIPLIRSA-N 1 0 306.362 2.364 50 5 DEBARO Cc1cc(C)n(-c2cc(N3CC[NH+](C)CC3)ccc2[N+](=O)[O-])n1 ZINC000004117348 280429232 /nfs/dbraw/zinc/42/92/32/280429232.db2.gz NHOSMDUPJTUDCU-UHFFFAOYSA-N 1 0 315.377 2.149 50 5 DEBARO C[N@@H+]1C[C@@]2(C)CN(c3ncc([N+](=O)[O-])cc3Cl)C[C@@]2(C)C1 ZINC000863948884 686599616 /nfs/dbraw/zinc/59/96/16/686599616.db2.gz SDBPRYOXTGHKMA-OKILXGFUSA-N 1 0 310.785 2.421 50 5 DEBARO Cc1cc(C(=O)N[C@@H]2C[N@H+](C(C)C)C[C@@H]2C)cc([N+](=O)[O-])c1 ZINC000155719879 186106308 /nfs/dbraw/zinc/10/63/08/186106308.db2.gz ZNGCZULONJUESG-SWLSCSKDSA-N 1 0 305.378 2.362 50 5 DEBARO CC[N@@H+]1CC[C@@H](CNC(=O)Nc2cccc([N+](=O)[O-])c2C)C1 ZINC000046955895 354299179 /nfs/dbraw/zinc/29/91/79/354299179.db2.gz RIECFBYSPWOSRW-LBPRGKRZSA-N 1 0 306.366 2.367 50 5 DEBARO O=C(CC1C[C@H]2CC[C@@H](C1)[NH2+]2)NCc1cccc([N+](=O)[O-])c1 ZINC000237887628 202379399 /nfs/dbraw/zinc/37/93/99/202379399.db2.gz GQVZONTYCREWLF-AGUYFDCRSA-N 1 0 303.362 2.132 50 5 DEBARO CC1(C)CC[C@H]1[NH2+]CCS(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC000284429074 218023250 /nfs/dbraw/zinc/02/32/50/218023250.db2.gz RGLKPFIVFFZHMC-CYBMUJFWSA-N 1 0 312.391 2.147 50 5 DEBARO O=C(NCC[NH2+]Cc1ccccc1[N+](=O)[O-])c1ccccc1F ZINC000078394141 401849950 /nfs/dbraw/zinc/84/99/50/401849950.db2.gz QZZOAIQAECLYOG-UHFFFAOYSA-N 1 0 317.320 2.254 50 5 DEBARO O=C(/C=C\c1cccc([N+](=O)[O-])c1)N[C@@H]1CC[N@@H+]2CCCC[C@H]12 ZINC000047226792 401980434 /nfs/dbraw/zinc/98/04/34/401980434.db2.gz YXAKSGRPDJHZLU-ZJBFNYKTSA-N 1 0 315.373 2.351 50 5 DEBARO C[C@H](CCS(C)(=O)=O)[NH2+][C@H](C)c1ccc([N+](=O)[O-])cc1 ZINC000095969386 402038482 /nfs/dbraw/zinc/03/84/82/402038482.db2.gz MRVXSYYPFRAPTO-GHMZBOCLSA-N 1 0 300.380 2.069 50 5 DEBARO CN(C(=O)/C=C\c1ccc(F)cc1[N+](=O)[O-])C1CC[NH+](C)CC1 ZINC000097299781 402121706 /nfs/dbraw/zinc/12/17/06/402121706.db2.gz GIYLMNSCTSWTBF-XQRVVYSFSA-N 1 0 321.352 2.300 50 5 DEBARO C[N@H+](CCNC(=O)Cc1ccc([N+](=O)[O-])cc1)C1CCCC1 ZINC000069584279 402232894 /nfs/dbraw/zinc/23/28/94/402232894.db2.gz PXRIPMIGNGTVBH-UHFFFAOYSA-N 1 0 305.378 2.128 50 5 DEBARO CC[N@@H+]1C[C@H](C)N(CCOc2ccc([N+](=O)[O-])cc2)C[C@@H]1C ZINC000346203169 535779766 /nfs/dbraw/zinc/77/97/66/535779766.db2.gz YTHOIIPGBNTNIS-KBPBESRZSA-N 1 0 307.394 2.388 50 5 DEBARO Cc1cc(C(=O)NCC[NH+]2CCC(C)CC2)ccc1[N+](=O)[O-] ZINC000040108871 183037145 /nfs/dbraw/zinc/03/71/45/183037145.db2.gz JJGRIAJKCHDEEH-UHFFFAOYSA-N 1 0 305.378 2.365 50 5 DEBARO O=C(c1ccc([N+](=O)[O-])cc1F)N1CCC[C@H]([NH+]2CCCC2)C1 ZINC000071886443 401692362 /nfs/dbraw/zinc/69/23/62/401692362.db2.gz HJOHQUADUDEMQK-ZDUSSCGKSA-N 1 0 321.352 2.434 50 5 DEBARO O=[N+]([O-])c1cccc(OCC[N@H+](C[C@H]2CCOC2)C2CC2)c1 ZINC000046091781 401965739 /nfs/dbraw/zinc/96/57/39/401965739.db2.gz BCSSLNFMHHFSPG-CYBMUJFWSA-N 1 0 306.362 2.475 50 5 DEBARO C[C@H]([NH2+]C[C@H](C)N1CCOC[C@@H]1C)c1ccc([N+](=O)[O-])cc1 ZINC000095967934 402038634 /nfs/dbraw/zinc/03/86/34/402038634.db2.gz BWIDYRLXNOAYNM-IHRRRGAJSA-N 1 0 307.394 2.355 50 5 DEBARO O=C([C@@H]1CCC[N@@H+](Cc2ccccc2[N+](=O)[O-])C1)N1CCCC1 ZINC000054991993 402073855 /nfs/dbraw/zinc/07/38/55/402073855.db2.gz QHRRZWDMRXTWFR-OAHLLOKOSA-N 1 0 317.389 2.429 50 5 DEBARO COc1cc(N2CC[C@@H]([NH+]3CC=CC3)C2)c([N+](=O)[O-])cc1F ZINC000101626115 402151623 /nfs/dbraw/zinc/15/16/23/402151623.db2.gz VDBUDPJDPGVPIO-LLVKDONJSA-N 1 0 307.325 2.193 50 5 DEBARO CCOCC[N@@H+](Cc1ccccc1[N+](=O)[O-])C[C@H](C)C(=O)OC ZINC000065542319 276317835 /nfs/dbraw/zinc/31/78/35/276317835.db2.gz HEDSTZVXARKJMN-ZDUSSCGKSA-N 1 0 324.377 2.242 50 5 DEBARO CC[N@@H+]1C[C@H](C)N(CCOc2ccc([N+](=O)[O-])cc2)C[C@H]1C ZINC000346203172 535780564 /nfs/dbraw/zinc/78/05/64/535780564.db2.gz YTHOIIPGBNTNIS-KGLIPLIRSA-N 1 0 307.394 2.388 50 5 DEBARO C[NH+]1CCC(N(CCO)c2ccc(Cl)cc2[N+](=O)[O-])CC1 ZINC000888095840 635522485 /nfs/dbraw/zinc/52/24/85/635522485.db2.gz ZKSFEFLKCVJRGA-UHFFFAOYSA-N 1 0 313.785 2.141 50 5 DEBARO CC[N@H+](Cc1nc(-c2ccc([N+](=O)[O-])cc2)no1)CC(C)(C)O ZINC000072284587 191103725 /nfs/dbraw/zinc/10/37/25/191103725.db2.gz AYSVVAFURQQINJ-UHFFFAOYSA-N 1 0 320.349 2.238 50 5 DEBARO O=[N+]([O-])c1ccc(N2CC[N@@H+]3CCCC[C@H]3C2)c([N+](=O)[O-])c1 ZINC000036426288 354165201 /nfs/dbraw/zinc/16/52/01/354165201.db2.gz RVYFEWBATUZWFO-LBPRGKRZSA-N 1 0 306.322 2.178 50 5 DEBARO C[N+]1(Cc2nc3ccccn3c2Br)CCOCC1 ZINC000004370316 181103046 /nfs/dbraw/zinc/10/30/46/181103046.db2.gz IULBCLNNHZYPAK-UHFFFAOYSA-N 1 0 311.203 2.074 50 5 DEBARO O=C(NCC[NH+]1CCCCC1)c1cc2cccc([N+](=O)[O-])c2[nH]1 ZINC000058887395 184130654 /nfs/dbraw/zinc/13/06/54/184130654.db2.gz MURFOWSEQOPSAA-UHFFFAOYSA-N 1 0 316.361 2.292 50 5 DEBARO O=[N+]([O-])c1ccc(-c2cn(O)c3c([n+]2=O)CCCCC3)cc1 ZINC000334157064 257262156 /nfs/dbraw/zinc/26/21/56/257262156.db2.gz JWQWZKVXVJTDOU-UHFFFAOYSA-N 1 0 302.310 2.484 50 5 DEBARO O=C([C@H]1CCC[N@@H+](Cc2ccccc2[N+](=O)[O-])C1)N1CCCC1 ZINC000096411535 402079806 /nfs/dbraw/zinc/07/98/06/402079806.db2.gz QHRRZWDMRXTWFR-HNNXBMFYSA-N 1 0 317.389 2.429 50 5 DEBARO Cc1cc(N(C)CC(=O)NC2CC2)c2cc([N+](=O)[O-])ccc2[nH+]1 ZINC000097083764 402105564 /nfs/dbraw/zinc/10/55/64/402105564.db2.gz ICQQTXWMGRUJPO-UHFFFAOYSA-N 1 0 314.345 2.166 50 5 DEBARO Cc1cccc([N+](=O)[O-])c1C(=O)NCC[N@H+]1CC=C(C)CC1 ZINC000225562981 402321147 /nfs/dbraw/zinc/32/11/47/402321147.db2.gz YBCSCYPAMSLLEP-UHFFFAOYSA-N 1 0 303.362 2.285 50 5 DEBARO O=[N+]([O-])c1cn(C[C@@H]2C[N@H+](Cc3ccccc3)CCCO2)cn1 ZINC000253416118 402664866 /nfs/dbraw/zinc/66/48/66/402664866.db2.gz PYYUDLXDACLQIF-HNNXBMFYSA-N 1 0 316.361 2.082 50 5 DEBARO CC(C)(C)[C@@H]1CCCC[C@@H]1[NH2+]C[C@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000072605807 191200012 /nfs/dbraw/zinc/20/00/12/191200012.db2.gz ZRKPVRRHROONNE-ZNMIVQPWSA-N 1 0 324.425 2.347 50 5 DEBARO CC[C@]1(C(=O)N(C)Cc2ccc(OC)c([N+](=O)[O-])c2)CCC[NH2+]1 ZINC000170082389 355986196 /nfs/dbraw/zinc/98/61/96/355986196.db2.gz SFQDJBHCBMIDFM-MRXNPFEDSA-N 1 0 321.377 2.094 50 5 DEBARO Cc1c2ccccc2oc1C(=O)OCC[N+]1(C)CCOCC1 ZINC000000552520 401701012 /nfs/dbraw/zinc/70/10/12/401701012.db2.gz YRMRBGNHOCHNDP-UHFFFAOYSA-N 1 0 304.366 2.375 50 5 DEBARO C[C@H]1CCC[N@H+](CCCCNC(=O)c2ccc([N+](=O)[O-])o2)C1 ZINC000046990425 401977684 /nfs/dbraw/zinc/97/76/84/401977684.db2.gz LEJTVJUVEXCBKG-LBPRGKRZSA-N 1 0 309.366 2.430 50 5 DEBARO O=[N+]([O-])c1ccc(N[C@@H]2CC[N@H+](C[C@H]3CCCCO3)C2)nc1 ZINC000252677545 402660785 /nfs/dbraw/zinc/66/07/85/402660785.db2.gz ZBWKJWYVYWUYMR-TZMCWYRMSA-N 1 0 306.366 2.045 50 5 DEBARO C[N@+]1(Cc2cc(=O)[nH]c(=O)[nH]2)CCc2[nH]c3ccccc3c2C1 ZINC000253504326 402667257 /nfs/dbraw/zinc/66/72/57/402667257.db2.gz YWMJGBXUYGVISY-OAQYLSRUSA-O 1 0 311.365 2.072 50 5 biogenic DEBARO CC1(C)CC(=O)[C@H]([C@@H](O)c2cccc([N+](=O)[O-])c2)C(C)(C)[NH2+]1 ZINC000004785600 181151668 /nfs/dbraw/zinc/15/16/68/181151668.db2.gz RAWHSNLAWGRMQI-KGLIPLIRSA-N 1 0 306.362 2.364 50 5 DEBARO O=[N+]([O-])c1cnn(C[C@@H](O)C[N@@H+]2CCC[C@@H]2c2ccsc2)c1 ZINC000096435727 402086161 /nfs/dbraw/zinc/08/61/61/402086161.db2.gz AVZYDHOLDVPDTN-UONOGXRCSA-N 1 0 322.390 2.051 50 5 DEBARO O=[N+]([O-])c1ccnn1C[C@@H]1C[N@H+](Cc2ccccc2)CCCO1 ZINC000284194787 403252889 /nfs/dbraw/zinc/25/28/89/403252889.db2.gz KULZBYNPTKHXGI-HNNXBMFYSA-N 1 0 316.361 2.082 50 5 DEBARO CS[C@H]1CN(c2ncc(Cl)cc2[N+](=O)[O-])C[C@@H]1[NH+](C)C ZINC000089314153 278168615 /nfs/dbraw/zinc/16/86/15/278168615.db2.gz VKKQEKNUJYYBPO-QWRGUYRKSA-N 1 0 316.814 2.125 50 5 DEBARO CC1(C)CC(=O)[C@@H]([C@H](O)c2ccc([N+](=O)[O-])cc2)C(C)(C)[NH2+]1 ZINC000004785680 278185972 /nfs/dbraw/zinc/18/59/72/278185972.db2.gz JILSLUDMEKLBRA-UONOGXRCSA-N 1 0 306.362 2.364 50 5 DEBARO C[C@@H]1CN(c2ccc([N+](=O)[O-])c(N3CCCCC3)c2)CC[NH2+]1 ZINC000004662890 278803431 /nfs/dbraw/zinc/80/34/31/278803431.db2.gz AAKIMHLJHRBNET-CYBMUJFWSA-N 1 0 304.394 2.383 50 5 DEBARO Cc1cc(C(=O)N[C@H]2C[N@H+](C(C)C)C[C@@H]2C)cc([N+](=O)[O-])c1 ZINC000155719986 186106157 /nfs/dbraw/zinc/10/61/57/186106157.db2.gz ZNGCZULONJUESG-WFASDCNBSA-N 1 0 305.378 2.362 50 5 DEBARO COc1ccc(NC(=O)NCC(C)(C)C[NH+](C)C)c([N+](=O)[O-])c1 ZINC000032895428 182674738 /nfs/dbraw/zinc/67/47/38/182674738.db2.gz LHSSQCCBJZMYGC-UHFFFAOYSA-N 1 0 324.381 2.313 50 5 DEBARO O=[N+]([O-])c1ccc(N[C@H]2CC[N@H+](CCc3ccccn3)C2)nc1 ZINC000096443413 402088377 /nfs/dbraw/zinc/08/83/77/402088377.db2.gz BSTMIUYPNMBMNI-AWEZNQCLSA-N 1 0 313.361 2.114 50 5 DEBARO C[C@H]1CCN(CCS(=O)(=O)c2ccc([N+](=O)[O-])cc2)[C@H]1C ZINC000108467858 402254353 /nfs/dbraw/zinc/25/43/53/402254353.db2.gz DEUWMUIZJBGQFJ-RYUDHWBXSA-N 1 0 312.391 2.099 50 5 DEBARO C[C@H]1OCC[C@]12C[N@H+](CCc1ccc([N+](=O)[O-])cc1)CCO2 ZINC000280641891 403022451 /nfs/dbraw/zinc/02/24/51/403022451.db2.gz ZNUGASLXMUNUFI-CJNGLKHVSA-N 1 0 306.362 2.017 50 5 DEBARO O=C(c1ccc([N+](=O)[O-])cc1)N1CCC[C@@H]1C[NH+]1CCCC1 ZINC000084387826 280190737 /nfs/dbraw/zinc/19/07/37/280190737.db2.gz VQQIRHBFTRNUBF-OAHLLOKOSA-N 1 0 303.362 2.295 50 5 DEBARO C[C@@H]([NH2+]CC1CCS(=O)(=O)CC1)c1ccc([N+](=O)[O-])cc1 ZINC000090883039 539418331 /nfs/dbraw/zinc/41/83/31/539418331.db2.gz HWURWBLDWDXOGZ-LLVKDONJSA-N 1 0 312.391 2.070 50 5 DEBARO O=C(c1ccc([N+](=O)[O-])cc1)N1CC[NH+](C2CCCC2)CC1 ZINC000004700645 181138881 /nfs/dbraw/zinc/13/88/81/181138881.db2.gz AEARGWCUWINPBN-UHFFFAOYSA-N 1 0 303.362 2.295 50 5 DEBARO COc1cc(C(=O)N[C@H]2CC[C@H]([NH+](C)C)C2)cc([N+](=O)[O-])c1C ZINC000195579919 201419419 /nfs/dbraw/zinc/41/94/19/201419419.db2.gz NABSZIMXRUKSLC-STQMWFEESA-N 1 0 321.377 2.124 50 5 DEBARO C[C@H](Sc1ccc([N+](=O)[O-])cc1)C(=O)NC1CC[NH+](C)CC1 ZINC000023110406 182347522 /nfs/dbraw/zinc/34/75/22/182347522.db2.gz VSHIWVLRKDMBTQ-NSHDSACASA-N 1 0 323.418 2.286 50 5 DEBARO CCC[N@H+](C[C@@H](O)COc1cccc([N+](=O)[O-])c1)CC1CC1 ZINC000006881724 401733379 /nfs/dbraw/zinc/73/33/79/401733379.db2.gz KZOHYFARCSAXTH-OAHLLOKOSA-N 1 0 308.378 2.457 50 5 DEBARO O=[N+]([O-])c1cccc(C[NH2+]CCc2nnc3n2CCCCC3)c1 ZINC000067698250 402168487 /nfs/dbraw/zinc/16/84/87/402168487.db2.gz AJDGXZPYFKKIBC-UHFFFAOYSA-N 1 0 315.377 2.245 50 5 DEBARO C[N@@+]1(Cc2cc(=O)[nH]c(=O)[nH]2)CCc2[nH]c3ccccc3c2C1 ZINC000253504319 402667297 /nfs/dbraw/zinc/66/72/97/402667297.db2.gz YWMJGBXUYGVISY-NRFANRHFSA-O 1 0 311.365 2.072 50 5 biogenic DEBARO CN(CCc1ccccn1)Cc1cc2c(cc1[N+](=O)[O-])OCO2 ZINC000023115074 625086472 /nfs/dbraw/zinc/08/64/72/625086472.db2.gz GTTBMSVQMJSIOH-UHFFFAOYSA-N 1 0 315.329 2.393 50 5 DEBARO CCC(=O)O[C@@H](COCc1ccccc1)C[N+]1(C)CCOCC1 ZINC000004566232 181125580 /nfs/dbraw/zinc/12/55/80/181125580.db2.gz NNHYXMNPGRJAPT-QGZVFWFLSA-N 1 0 322.425 2.002 50 5 DEBARO COC(=O)c1cc([N+](=O)[O-])ccc1NCC(C)(C)C[NH+](C)C ZINC000012522115 181770002 /nfs/dbraw/zinc/77/00/02/181770002.db2.gz PUZPWBICMSMDBC-UHFFFAOYSA-N 1 0 309.366 2.381 50 5 DEBARO Nc1cc(N2CC[NH+](Cc3ccccc3)CC2)ccc1[N+](=O)[O-] ZINC000063110796 402111730 /nfs/dbraw/zinc/11/17/30/402111730.db2.gz SAXABBUALRQIHH-UHFFFAOYSA-N 1 0 312.373 2.499 50 5 DEBARO CS[C@@H]1CCC[C@@H]1[N@H+](C)Cc1ccc(C(N)=O)cc1[N+](=O)[O-] ZINC000107146003 402226481 /nfs/dbraw/zinc/22/64/81/402226481.db2.gz WPKPBRVICVSWIX-GXTWGEPZSA-N 1 0 323.418 2.410 50 5 DEBARO Cc1cc(C(=O)N[C@@H]2CC[N@@H+]3CCCC[C@@H]23)ccc1[N+](=O)[O-] ZINC000229724681 402344977 /nfs/dbraw/zinc/34/49/77/402344977.db2.gz RPCQENURCKNZOD-HIFRSBDPSA-N 1 0 303.362 2.260 50 5 DEBARO Cn1cc([C@H](CNc2cc(F)ccc2[N+](=O)[O-])[NH+](C)C)cn1 ZINC000302825110 403730999 /nfs/dbraw/zinc/73/09/99/403730999.db2.gz YFTRRPNLUZMZBS-AWEZNQCLSA-N 1 0 307.329 2.182 50 5 DEBARO O=C(c1ccc([N+](=O)[O-])cc1)N1CCC[C@H]1C[NH+]1CCCC1 ZINC000084387828 280190773 /nfs/dbraw/zinc/19/07/73/280190773.db2.gz VQQIRHBFTRNUBF-HNNXBMFYSA-N 1 0 303.362 2.295 50 5 DEBARO C[C@H](CCS(C)(=O)=O)[NH2+][C@@H](C)c1ccc([N+](=O)[O-])cc1 ZINC000095969384 298462533 /nfs/dbraw/zinc/46/25/33/298462533.db2.gz MRVXSYYPFRAPTO-MNOVXSKESA-N 1 0 300.380 2.069 50 5 DEBARO C[C@@H]1CC[C@H]2[C@H](C[N+](C)(C)C)C(=O)O[C@@]23[C@@H]2O[C@]2(C)CC[C@@H]13 ZINC000004073605 181069907 /nfs/dbraw/zinc/06/99/07/181069907.db2.gz SNGWWISTWVXYJT-WZYFWWDKSA-N 1 0 308.442 2.218 50 5 biogenic DEBARO COc1cccc(N2C[C@@H]([NH+](C)C)[C@@H](SC)C2)c1[N+](=O)[O-] ZINC000274699157 211845934 /nfs/dbraw/zinc/84/59/34/211845934.db2.gz PDNNHVULRJRRHG-YPMHNXCESA-N 1 0 311.407 2.085 50 5 DEBARO CCCCOC[C@@H](O)C[N+]1(Cc2ccccc2)CCOCC1 ZINC000017270613 182081084 /nfs/dbraw/zinc/08/10/84/182081084.db2.gz OAEQMBZAPBHBGH-SFHVURJKSA-N 1 0 308.442 2.211 50 5 DEBARO O=C(c1ccc([N+](=O)[O-])cc1)N1CCC[C@H]([NH+]2CCCC2)C1 ZINC000035835532 284667027 /nfs/dbraw/zinc/66/70/27/284667027.db2.gz HTFHJRLPHRWFJR-HNNXBMFYSA-N 1 0 303.362 2.295 50 5 DEBARO CC[NH+]1CCC(N2CCN(c3ccc([N+](=O)[O-])cc3)CC2)CC1 ZINC000004007872 401725592 /nfs/dbraw/zinc/72/55/92/401725592.db2.gz SAXFKNGVUPAISH-UHFFFAOYSA-N 1 0 318.421 2.201 50 5 DEBARO CC(C)[N@@H+]1CCCN(C(=O)CCc2cccc([N+](=O)[O-])c2)CC1 ZINC000084597496 401907200 /nfs/dbraw/zinc/90/72/00/401907200.db2.gz COBHUVFREXEKJR-UHFFFAOYSA-N 1 0 319.405 2.470 50 5 DEBARO CCOc1ccc([C@H](C)[NH2+][C@H]2CCC(=O)N(C)C2)cc1[N+](=O)[O-] ZINC000095982172 402041865 /nfs/dbraw/zinc/04/18/65/402041865.db2.gz FUKPZKRVBGTFFG-AAEUAGOBSA-N 1 0 321.377 2.265 50 5 DEBARO Cc1c(F)cc(C(=O)N[C@H]2CC[N@@H+](C3CC3)C2)cc1[N+](=O)[O-] ZINC000067863264 402176327 /nfs/dbraw/zinc/17/63/27/402176327.db2.gz QPTPQLFKXZMJIB-NSHDSACASA-N 1 0 307.325 2.009 50 5 DEBARO C[NH+](C)C[C@@H]1CCCCN1C(=O)Cc1ccc([N+](=O)[O-])cc1 ZINC000069529622 402229110 /nfs/dbraw/zinc/22/91/10/402229110.db2.gz HVOPPPVRWWSDMX-HNNXBMFYSA-N 1 0 305.378 2.080 50 5 DEBARO C[NH+]1C[C@]2(C)CN(c3ncc([N+](=O)[O-])cc3Cl)C[C@@]2(C)C1 ZINC000863948885 686600139 /nfs/dbraw/zinc/60/01/39/686600139.db2.gz SDBPRYOXTGHKMA-ZIAGYGMSSA-N 1 0 310.785 2.421 50 5 DEBARO C[C@@H]1C[N@@H+](C2CCOCC2)CCN1c1ccc(F)cc1[N+](=O)[O-] ZINC000278773530 214390709 /nfs/dbraw/zinc/39/07/09/214390709.db2.gz LETWRYNEDDWGOE-GFCCVEGCSA-N 1 0 323.368 2.423 50 5 DEBARO Cc1cc(N2CCC[C@H](C[N@@H+]3CC[C@H](O)C3)C2)ccc1[N+](=O)[O-] ZINC000585132816 357336081 /nfs/dbraw/zinc/33/60/81/357336081.db2.gz XFTNYKVZIQMDPQ-ZBFHGGJFSA-N 1 0 319.405 2.186 50 5 DEBARO CC[N@@H+]1CCC[C@@H](CNC(=O)Nc2cccc([N+](=O)[O-])c2)C1 ZINC000058162674 184082808 /nfs/dbraw/zinc/08/28/08/184082808.db2.gz SAAKCPIOWCPBTK-LBPRGKRZSA-N 1 0 306.366 2.448 50 5 DEBARO O=C(C[NH2+]Cc1ccc(F)cc1)Nc1ccccc1[N+](=O)[O-] ZINC000052537584 402043986 /nfs/dbraw/zinc/04/39/86/402043986.db2.gz PZGXMBASLWHTCY-UHFFFAOYSA-N 1 0 303.293 2.462 50 5 DEBARO CCOC(=O)c1ccnc(N[C@H]2CCC[C@@H]2[NH+](C)C)c1[N+](=O)[O-] ZINC000170603352 402506339 /nfs/dbraw/zinc/50/63/39/402506339.db2.gz NEHGYBXVFVISBL-RYUDHWBXSA-N 1 0 322.365 2.061 50 5 DEBARO C[N+]1(C)[C@@H]2CC[C@H]1C[C@H](OC(=O)[C@@H](CO)c1ccccc1)C2 ZINC000252462041 225247373 /nfs/dbraw/zinc/24/73/73/225247373.db2.gz PIPAJLPNWZMYQA-YVSFHVDLSA-N 1 0 304.410 2.076 50 5 biogenic,in-man DEBARO O=[N+]([O-])c1ccccc1OCC[N@H+](C[C@H]1CCOC1)C1CC1 ZINC000048368926 183652673 /nfs/dbraw/zinc/65/26/73/183652673.db2.gz NTWLTWKACWOUQN-CYBMUJFWSA-N 1 0 306.362 2.475 50 5 DEBARO CCOCC[N@@H+](Cc1ccccc1[N+](=O)[O-])C[C@@H](C)C(=O)OC ZINC000065542316 286081780 /nfs/dbraw/zinc/08/17/80/286081780.db2.gz HEDSTZVXARKJMN-CYBMUJFWSA-N 1 0 324.377 2.242 50 5 DEBARO O=C(/C=C\c1ccccc1[N+](=O)[O-])NCCCCn1ccnc1 ZINC000098010007 402133806 /nfs/dbraw/zinc/13/38/06/402133806.db2.gz UDLAHZUIGDAGCY-FPLPWBNLSA-N 1 0 314.345 2.401 50 5 DEBARO Nc1sc2cccc[n+]2c1C(=O)c1cccc([N+](=O)[O-])c1 ZINC000005354452 181233740 /nfs/dbraw/zinc/23/37/40/181233740.db2.gz WHOANGKFNPQCKN-UHFFFAOYSA-O 1 0 300.319 2.208 50 5 DEBARO C[C@H]1CN(c2ccc([N+](=O)[O-])c(N3CCCCC3)c2)CC[NH2+]1 ZINC000004662894 401726872 /nfs/dbraw/zinc/72/68/72/401726872.db2.gz AAKIMHLJHRBNET-ZDUSSCGKSA-N 1 0 304.394 2.383 50 5 DEBARO Cc1c(C[N@@H+]2CC[C@@H](CN3CCOCC3)C2)cccc1[N+](=O)[O-] ZINC000096424607 402083523 /nfs/dbraw/zinc/08/35/23/402083523.db2.gz WUGDHHXPXUSOFV-HNNXBMFYSA-N 1 0 319.405 2.057 50 5 DEBARO C[N@@H+]1CCCC[C@@H]1CN1CCN(c2ccc([N+](=O)[O-])cc2)CC1 ZINC000069561938 402231266 /nfs/dbraw/zinc/23/12/66/402231266.db2.gz GMBBBTCSSZKYAN-QGZVFWFLSA-N 1 0 318.421 2.201 50 5 DEBARO C[C@H](C[NH2+][C@@H](C)c1ccc([N+](=O)[O-])cc1)N1CCOC[C@@H]1C ZINC000221896628 402304972 /nfs/dbraw/zinc/30/49/72/402304972.db2.gz BWIDYRLXNOAYNM-RDBSUJKOSA-N 1 0 307.394 2.355 50 5 DEBARO Cc1c([C@@H](C)[NH2+]CCc2nnc3n2CCC3)cccc1[N+](=O)[O-] ZINC000095419911 185360191 /nfs/dbraw/zinc/36/01/91/185360191.db2.gz PCWYWCLMYDHVSP-GFCCVEGCSA-N 1 0 315.377 2.334 50 5 DEBARO Cc1cc(N2CCC[C@H](C[N@@H+]3CC[C@@H](O)C3)C2)ccc1[N+](=O)[O-] ZINC000585132813 357336192 /nfs/dbraw/zinc/33/61/92/357336192.db2.gz XFTNYKVZIQMDPQ-GDBMZVCRSA-N 1 0 319.405 2.186 50 5 DEBARO CN(C)S(=O)(=O)c1cccc(C[N+](C)(C)C2CCCC2)c1 ZINC000024156430 182375693 /nfs/dbraw/zinc/37/56/93/182375693.db2.gz PXWJEIHBSQSTCX-UHFFFAOYSA-N 1 0 311.471 2.456 50 5 DEBARO Cc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@H+]1C[C@H](C)OC[C@@H]1C ZINC000058246566 184094413 /nfs/dbraw/zinc/09/44/13/184094413.db2.gz FXDUUTLHAWCCMH-STQMWFEESA-N 1 0 321.377 2.341 50 5 DEBARO CC[N@@H+]1C[C@@H](C)N(CCOc2ccc([N+](=O)[O-])cc2)C[C@H]1C ZINC000346203175 146037450 /nfs/dbraw/zinc/03/74/50/146037450.db2.gz YTHOIIPGBNTNIS-ZIAGYGMSSA-N 1 0 307.394 2.388 50 5 DEBARO O=[N+]([O-])c1ccccc1OCC[N@H+](C[C@@H]1CCOC1)C1CC1 ZINC000048368924 401999465 /nfs/dbraw/zinc/99/94/65/401999465.db2.gz NTWLTWKACWOUQN-ZDUSSCGKSA-N 1 0 306.362 2.475 50 5 DEBARO CN(Cc1ccccc1[N+](=O)[O-])C(=O)[C@H]1CCCCC[C@@H]1[NH3+] ZINC000096461354 402092092 /nfs/dbraw/zinc/09/20/92/402092092.db2.gz XFUNPXPJAGYWHA-KBPBESRZSA-N 1 0 305.378 2.461 50 5 DEBARO Cc1cc(C(=O)N[C@H]2CC[N@@H+]3CCCC[C@@H]23)ccc1[N+](=O)[O-] ZINC000229724685 402344931 /nfs/dbraw/zinc/34/49/31/402344931.db2.gz RPCQENURCKNZOD-ZFWWWQNUSA-N 1 0 303.362 2.260 50 5 DEBARO O=[N+]([O-])c1cn(C[C@H]2C[N@H+](Cc3ccccc3)CCCO2)cn1 ZINC000253416119 402664859 /nfs/dbraw/zinc/66/48/59/402664859.db2.gz PYYUDLXDACLQIF-OAHLLOKOSA-N 1 0 316.361 2.082 50 5 DEBARO C[C@H]1OCC[C@@]12C[N@H+](CCc1ccc([N+](=O)[O-])cc1)CCO2 ZINC000280641897 403022296 /nfs/dbraw/zinc/02/22/96/403022296.db2.gz ZNUGASLXMUNUFI-CZUORRHYSA-N 1 0 306.362 2.017 50 5 DEBARO [NH3+]C1(CNc2ncc([N+](=O)[O-])cc2Br)CCC1 ZINC000236198527 274943000 /nfs/dbraw/zinc/94/30/00/274943000.db2.gz QTDNFHMIWJTLHI-UHFFFAOYSA-N 1 0 301.144 2.046 50 5 DEBARO COC(=O)[C@]1(C)[C@H](c2ccc(C)cc2)[C@H]([N+](=O)[O-])[C@@H]2CCCN21 ZINC000643919610 778935398 /nfs/dbraw/zinc/93/53/98/778935398.db2.gz KCZDAYGAROCAGL-HWMZRRJGSA-N 1 0 318.373 2.134 50 5 DEBARO C[NH+](C)CCNC(=O)Nc1ccc([N+](=O)[O-])c(C(F)(F)F)c1 ZINC000160086469 197384366 /nfs/dbraw/zinc/38/43/66/197384366.db2.gz YMMWIFDTMYXKNC-UHFFFAOYSA-N 1 0 320.271 2.297 50 5 DEBARO O=[N+]([O-])c1ccc(N2CCC[C@H](C[NH+]3CCOCC3)C2)cc1 ZINC000076063041 401779659 /nfs/dbraw/zinc/77/96/59/401779659.db2.gz DKYYUDQKLWKWNG-CQSZACIVSA-N 1 0 305.378 2.143 50 5 DEBARO O=[N+]([O-])c1cc(CN2CCN(c3cc[nH+]cc3)CC2)cs1 ZINC000089884966 401970439 /nfs/dbraw/zinc/97/04/39/401970439.db2.gz MMRJGOQEBMRHNZ-UHFFFAOYSA-N 1 0 304.375 2.374 50 5 DEBARO Cc1cc(NC(=O)NCC2CC[NH+](C)CC2)ccc1[N+](=O)[O-] ZINC000097163066 402113443 /nfs/dbraw/zinc/11/34/43/402113443.db2.gz GBCHTSUOEWXZRH-UHFFFAOYSA-N 1 0 306.366 2.367 50 5 DEBARO O=[N+]([O-])c1ccccc1OC[C@H](O)C[N@@H+]1CCC2(CCC2)C1 ZINC000096009764 280376040 /nfs/dbraw/zinc/37/60/40/280376040.db2.gz LYRFGSZCOHWPKU-CYBMUJFWSA-N 1 0 306.362 2.211 50 5 DEBARO O=C(/C=C/c1cccc([N+](=O)[O-])c1)NC[C@H]1CC[N@@H+](C2CC2)C1 ZINC000071888994 401692677 /nfs/dbraw/zinc/69/26/77/401692677.db2.gz VYZSBLMRESQRAZ-BTKRWWFXSA-N 1 0 315.373 2.209 50 5 DEBARO Cc1cc(N2CCC([N@H+](C)CCCO)CC2)ccc1[N+](=O)[O-] ZINC000084101508 401902447 /nfs/dbraw/zinc/90/24/47/401902447.db2.gz IXUQCPNVFPMHKQ-UHFFFAOYSA-N 1 0 307.394 2.186 50 5 DEBARO CCOc1ccc([C@@H](C)[NH2+][C@H]2CCC(=O)N(C)C2)cc1[N+](=O)[O-] ZINC000095982171 402041933 /nfs/dbraw/zinc/04/19/33/402041933.db2.gz FUKPZKRVBGTFFG-YPMHNXCESA-N 1 0 321.377 2.265 50 5 DEBARO C[NH+](C)C[C@H]1CCN(C(=O)c2c(Cl)cccc2[N+](=O)[O-])C1 ZINC000097080682 402104598 /nfs/dbraw/zinc/10/45/98/402104598.db2.gz VDDIABZALDXEHU-SNVBAGLBSA-N 1 0 311.769 2.272 50 5 DEBARO Cc1cc(NC(=O)N2CC[C@@H]([NH+]3CC=CC3)C2)ccc1[N+](=O)[O-] ZINC000102022543 402161201 /nfs/dbraw/zinc/16/12/01/402161201.db2.gz XYJSDOXPNUCXNL-CQSZACIVSA-N 1 0 316.361 2.381 50 5 DEBARO O=[N+]([O-])c1ccccc1N1CCC([NH2+]C2CCOCC2)CC1 ZINC000952994210 792856889 /nfs/dbraw/zinc/85/68/89/792856889.db2.gz NIYGGYFGTYOLPO-UHFFFAOYSA-N 1 0 305.378 2.332 50 5 DEBARO C[NH+](C)C[C@H]1CCCCN1C(=O)Cc1ccc([N+](=O)[O-])cc1 ZINC000069529624 282133084 /nfs/dbraw/zinc/13/30/84/282133084.db2.gz HVOPPPVRWWSDMX-OAHLLOKOSA-N 1 0 305.378 2.080 50 5 DEBARO Cc1c([C@H](C)[NH2+]CCc2nnc3n2CCC3)cccc1[N+](=O)[O-] ZINC000095419912 185360221 /nfs/dbraw/zinc/36/02/21/185360221.db2.gz PCWYWCLMYDHVSP-LBPRGKRZSA-N 1 0 315.377 2.334 50 5 DEBARO CC[N+]1(C[C@H](O)CO[C@H]2C[C@H](C)CC(C)(C)C2)CCOCC1 ZINC000003171262 180988449 /nfs/dbraw/zinc/98/84/49/180988449.db2.gz LDHSDHWSXOQHLI-ULQDDVLXSA-N 1 0 314.490 2.446 50 5 DEBARO CCC[N@H+](C[C@H](O)COc1cccc([N+](=O)[O-])c1)CC1CC1 ZINC000006881723 181401163 /nfs/dbraw/zinc/40/11/63/181401163.db2.gz KZOHYFARCSAXTH-HNNXBMFYSA-N 1 0 308.378 2.457 50 5 DEBARO CC(=O)N1CC[C@H](C[N@@H+](C)Cc2ccc(C)c([N+](=O)[O-])c2)C1 ZINC000092100735 193158171 /nfs/dbraw/zinc/15/81/71/193158171.db2.gz BYZRGWRCXWSMEP-OAHLLOKOSA-N 1 0 305.378 2.203 50 5 DEBARO O=[N+]([O-])c1ccc(N2CC[NH+](CCc3cccs3)CC2)nc1 ZINC000057141358 402092828 /nfs/dbraw/zinc/09/28/28/402092828.db2.gz FGXQLXQKOVSOPJ-UHFFFAOYSA-N 1 0 318.402 2.416 50 5 DEBARO O=[N+]([O-])c1cnn(C[C@H](O)C[N@@H+]2CCC[C@@H]2c2cccs2)c1 ZINC000107062604 402225865 /nfs/dbraw/zinc/22/58/65/402225865.db2.gz POSWYWGDPOXOEB-CHWSQXEVSA-N 1 0 322.390 2.051 50 5 DEBARO CC(C)[N@@H+]1CC[C@H](NC(=O)/C=C/c2ccccc2[N+](=O)[O-])C1 ZINC000069596341 402233811 /nfs/dbraw/zinc/23/38/11/402233811.db2.gz JUPVXMVXLDRUFZ-NPQIQWPPSA-N 1 0 303.362 2.207 50 5 DEBARO C[NH+]1CCN(Cc2ccc([N+](=O)[O-])cc2C(F)(F)F)CC1 ZINC000071256234 402271596 /nfs/dbraw/zinc/27/15/96/402271596.db2.gz LIHFIIDGPWSVCX-UHFFFAOYSA-N 1 0 303.284 2.361 50 5 DEBARO C[C@@H]1CC[C@@H]2[C@@H](C[N+](C)(C)C)C(=O)O[C@@]23[C@@H]2O[C@]2(C)CC[C@@H]13 ZINC000229592050 402343878 /nfs/dbraw/zinc/34/38/78/402343878.db2.gz SNGWWISTWVXYJT-ZTAPHHKNSA-N 1 0 308.442 2.218 50 5 DEBARO Cc1cc([N+](=O)[O-])c(C)cc1NC(=O)NC1CC[NH+](C)CC1 ZINC000191403434 402667506 /nfs/dbraw/zinc/66/75/06/402667506.db2.gz CQGAVUOKFXZKFR-UHFFFAOYSA-N 1 0 306.366 2.427 50 5 DEBARO Cc1nc(NCC2([NH+]3CCCC3)CCOCC2)ccc1[N+](=O)[O-] ZINC000095414916 185358490 /nfs/dbraw/zinc/35/84/90/185358490.db2.gz MQQIPUFNLFDJBX-UHFFFAOYSA-N 1 0 320.393 2.355 50 5 DEBARO C[C@@H]([NH2+]CCn1cc([N+](=O)[O-])ccc1=O)c1ccc(F)c(F)c1 ZINC000097032986 185399565 /nfs/dbraw/zinc/39/95/65/185399565.db2.gz KABUUTDHAUXMTJ-SNVBAGLBSA-N 1 0 323.299 2.386 50 5 DEBARO C[C@@H](c1cccc([N+](=O)[O-])c1)[N@@H+]1CCC[C@H](C(=O)N(C)C)C1 ZINC000058264585 184096191 /nfs/dbraw/zinc/09/61/91/184096191.db2.gz LERLPENLESAIQV-JSGCOSHPSA-N 1 0 305.378 2.456 50 5 DEBARO C[NH+](C)CCCN1C(=O)CS[C@H]1c1ccc([N+](=O)[O-])cc1 ZINC000000292840 401693414 /nfs/dbraw/zinc/69/34/14/401693414.db2.gz CDJOLKQJMZJKNP-AWEZNQCLSA-N 1 0 309.391 2.121 50 5 DEBARO NC(=O)C[C@H]1CCCC[N@@H+]1Cc1ccc([N+](=O)[O-])cc1Cl ZINC000097082823 402104770 /nfs/dbraw/zinc/10/47/70/402104770.db2.gz VZVUIUNKPAYWIS-LLVKDONJSA-N 1 0 311.769 2.478 50 5 DEBARO COc1cc(N2CC[C@H]([NH+]3CC=CC3)C2)c([N+](=O)[O-])cc1F ZINC000101626111 402151612 /nfs/dbraw/zinc/15/16/12/402151612.db2.gz VDBUDPJDPGVPIO-NSHDSACASA-N 1 0 307.325 2.193 50 5 DEBARO O=[N+]([O-])c1ccc(CN2CCC([N@@H+]3CCCOCC3)CC2)cc1 ZINC000585133440 790330256 /nfs/dbraw/zinc/33/02/56/790330256.db2.gz IBQNHHPTDAZELL-UHFFFAOYSA-N 1 0 319.405 2.282 50 5 DEBARO CC[NH+](CC)[C@H]1CCN(C(=O)NCc2cccc([N+](=O)[O-])c2)C1 ZINC000076086447 355124464 /nfs/dbraw/zinc/12/44/64/355124464.db2.gz PEUNLRGHCCAQBQ-HNNXBMFYSA-N 1 0 320.393 2.221 50 5 DEBARO CC(C)(C)[C@@H]1CCCC[C@H]1[NH2+]C[C@@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000195531724 201399557 /nfs/dbraw/zinc/39/95/57/201399557.db2.gz ZRKPVRRHROONNE-RBSFLKMASA-N 1 0 324.425 2.347 50 5 DEBARO O=C(c1ccc([N+](=O)[O-])cc1)N1CCC[C@@H]([NH+]2CCCC2)C1 ZINC000035835535 284667042 /nfs/dbraw/zinc/66/70/42/284667042.db2.gz HTFHJRLPHRWFJR-OAHLLOKOSA-N 1 0 303.362 2.295 50 5 DEBARO CC[N@@H+]1CCC[C@H](CNc2nc3sccn3c2[N+](=O)[O-])C1 ZINC000058077981 184073489 /nfs/dbraw/zinc/07/34/89/184073489.db2.gz CUARBDFQFSGBCT-SNVBAGLBSA-N 1 0 309.395 2.448 50 5 DEBARO C[NH+]1CCC2(CCCN2C(=O)Cc2ccccc2[N+](=O)[O-])CC1 ZINC000095454230 402032971 /nfs/dbraw/zinc/03/29/71/402032971.db2.gz VBFYSWFPIVAXOT-UHFFFAOYSA-N 1 0 317.389 2.224 50 5 DEBARO C[NH+](C)C[C@@H]1CCN(C(=O)c2c(Cl)cccc2[N+](=O)[O-])C1 ZINC000097080681 402104518 /nfs/dbraw/zinc/10/45/18/402104518.db2.gz VDDIABZALDXEHU-JTQLQIEISA-N 1 0 311.769 2.272 50 5 DEBARO COc1ccc(NC(=O)N2CCC([NH+](C)C)CC2)cc1[N+](=O)[O-] ZINC000170593927 402506007 /nfs/dbraw/zinc/50/60/07/402506007.db2.gz XCSUCQZDPWWBBQ-UHFFFAOYSA-N 1 0 322.365 2.161 50 5 DEBARO COC(=O)c1ccc([N+](=O)[O-])c(N2CC[C@H]3CC[C@@H](C2)[N@@H+]3C)c1 ZINC000221779931 274004774 /nfs/dbraw/zinc/00/47/74/274004774.db2.gz KWUSCKMSKFCIFU-OLZOCXBDSA-N 1 0 319.361 2.054 50 5 DEBARO C[N@@H+]1CCCC[C@@H]1CN1CCN(c2ccccc2[N+](=O)[O-])CC1 ZINC000069563069 277045316 /nfs/dbraw/zinc/04/53/16/277045316.db2.gz UMJXSIGWEOSLPW-OAHLLOKOSA-N 1 0 318.421 2.201 50 5 DEBARO C[C@@]12CC[C@@H](C1)C(C)(C)[N@H+](C[C@@H](O)Cn1cc([N+](=O)[O-])cn1)C2 ZINC000585116048 789702335 /nfs/dbraw/zinc/70/23/35/789702335.db2.gz FMAGWHZLYOGSHH-JGGQBBKZSA-N 1 0 322.409 2.053 50 5 DEBARO O=C(Cc1ccc([N+](=O)[O-])cc1)N1CCC[C@H]([NH+]2CCCC2)C1 ZINC000069897519 190835956 /nfs/dbraw/zinc/83/59/56/190835956.db2.gz ZDGNJPXRKQXHLI-INIZCTEOSA-N 1 0 317.389 2.224 50 5 DEBARO CC(C)[C@@H]1C[N@H+](Cc2ccc(C(N)=O)cc2[N+](=O)[O-])CCS1 ZINC000072836483 191236414 /nfs/dbraw/zinc/23/64/14/191236414.db2.gz NOOREMLMNQGZPY-AWEZNQCLSA-N 1 0 323.418 2.267 50 5 DEBARO CC[NH+](CC)CCCNC(=O)c1ccc(OC)c([N+](=O)[O-])c1 ZINC000002911779 180970009 /nfs/dbraw/zinc/97/00/09/180970009.db2.gz CGELBKRUWLJWAL-UHFFFAOYSA-N 1 0 309.366 2.065 50 5 biogenic DEBARO CC[N@@H+]1CC[C@H](CNC(=O)Nc2cccc([N+](=O)[O-])c2C)C1 ZINC000046955893 354299078 /nfs/dbraw/zinc/29/90/78/354299078.db2.gz RIECFBYSPWOSRW-GFCCVEGCSA-N 1 0 306.366 2.367 50 5 DEBARO C[C@@H](NC(=O)Nc1cccc([N+](=O)[O-])c1)C1CC[NH+](C)CC1 ZINC000072285579 354900136 /nfs/dbraw/zinc/90/01/36/354900136.db2.gz KIEGMUZZCLPWFL-LLVKDONJSA-N 1 0 306.366 2.447 50 5 DEBARO O=[N+]([O-])c1cccc([C@H](O)C[NH2+]Cc2ccc3c(c2)OCO3)c1 ZINC000020421547 182215981 /nfs/dbraw/zinc/21/59/81/182215981.db2.gz CWYOKCMZZUYCEO-CQSZACIVSA-N 1 0 316.313 2.147 50 5 DEBARO CC[N@@H+]1CCC[C@H](CNC(=O)Nc2cccc([N+](=O)[O-])c2)C1 ZINC000058162673 184082847 /nfs/dbraw/zinc/08/28/47/184082847.db2.gz SAAKCPIOWCPBTK-GFCCVEGCSA-N 1 0 306.366 2.448 50 5 DEBARO Cc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@H+]1C[C@@H](C)OC[C@@H]1C ZINC000058246567 184094531 /nfs/dbraw/zinc/09/45/31/184094531.db2.gz FXDUUTLHAWCCMH-QWHCGFSZSA-N 1 0 321.377 2.341 50 5 DEBARO CS[C@H]1CC[C@@H]([N@H+](C)Cc2ccc(C(N)=O)cc2[N+](=O)[O-])C1 ZINC000072794240 191229179 /nfs/dbraw/zinc/22/91/79/191229179.db2.gz WGRLHAQCJIAQFE-OLZOCXBDSA-N 1 0 323.418 2.410 50 5 DEBARO CC[NH+](CC)CCCNC(=O)/C=C/c1cccc([N+](=O)[O-])c1 ZINC000004141200 181078428 /nfs/dbraw/zinc/07/84/28/181078428.db2.gz ZYAUFHYTYRUAIR-MDZDMXLPSA-N 1 0 305.378 2.456 50 5 DEBARO CC1(C)CC(=O)[C@H]([C@H](O)c2cccc([N+](=O)[O-])c2)C(C)(C)[NH2+]1 ZINC000004785598 181151831 /nfs/dbraw/zinc/15/18/31/181151831.db2.gz RAWHSNLAWGRMQI-ZIAGYGMSSA-N 1 0 306.362 2.364 50 5 DEBARO COc1cccc2nc3cccc(C(=O)NCC[NH+](C)C)c3nc21 ZINC000005957851 181300598 /nfs/dbraw/zinc/30/05/98/181300598.db2.gz CMOMBJSTLVSUTD-UHFFFAOYSA-N 1 0 324.384 2.083 50 5 DEBARO O=[N+]([O-])c1cccc([C@@H](O)C[NH2+]Cc2ccc3c(c2)OCO3)c1 ZINC000020421545 182215750 /nfs/dbraw/zinc/21/57/50/182215750.db2.gz CWYOKCMZZUYCEO-AWEZNQCLSA-N 1 0 316.313 2.147 50 5 DEBARO CCC(CC)[C@H](CNc1ccc(C(N)=O)cc1[N+](=O)[O-])[NH+](C)C ZINC000024205098 182376658 /nfs/dbraw/zinc/37/66/58/182376658.db2.gz YLFWFGIHOPCANO-HNNXBMFYSA-N 1 0 322.409 2.472 50 5 DEBARO [NH2+]=C1Nc2nc3ccccc3n2[C@H](c2ccccc2[N+](=O)[O-])N1 ZINC000003170617 401722402 /nfs/dbraw/zinc/72/24/02/401722402.db2.gz ZHOOKLKZVVOBLY-CYBMUJFWSA-N 1 0 308.301 2.041 50 5 DEBARO C[NH+](C)CCCN1C(=O)CS[C@@H]1c1cccc([N+](=O)[O-])c1 ZINC000000031846 401687364 /nfs/dbraw/zinc/68/73/64/401687364.db2.gz JTGAQOPTLOQKIV-CQSZACIVSA-N 1 0 309.391 2.121 50 5 DEBARO C[C@H]([NH2+]C[C@H](C)N1CCOC[C@H]1C)c1ccc([N+](=O)[O-])cc1 ZINC000095967933 402038408 /nfs/dbraw/zinc/03/84/08/402038408.db2.gz BWIDYRLXNOAYNM-MJBXVCDLSA-N 1 0 307.394 2.355 50 5 DEBARO O=C(/C=C/c1cccc([N+](=O)[O-])c1)N[C@@H]1CC[N@@H+]2CCCC[C@@H]12 ZINC000229724510 402344884 /nfs/dbraw/zinc/34/48/84/402344884.db2.gz YXAKSGRPDJHZLU-KJMJWJSPSA-N 1 0 315.373 2.351 50 5 DEBARO CCN(CC)C(=O)[C@@H]1CCC[N@H+](Cc2ccc([N+](=O)[O-])o2)C1 ZINC000000292230 353989716 /nfs/dbraw/zinc/98/97/16/353989716.db2.gz GBIAKXKXELRQKI-GFCCVEGCSA-N 1 0 309.366 2.268 50 5 DEBARO COc1cc(C(=O)N[C@@H]2CC[C@H]([NH+](C)C)C2)cc([N+](=O)[O-])c1C ZINC000195579917 201418595 /nfs/dbraw/zinc/41/85/95/201418595.db2.gz NABSZIMXRUKSLC-OLZOCXBDSA-N 1 0 321.377 2.124 50 5 DEBARO O=[N+]([O-])c1ccccc1N1CC[NH+](CCc2ccncc2)CC1 ZINC000009379178 285163158 /nfs/dbraw/zinc/16/31/58/285163158.db2.gz DGBOCOGDXVQHDN-UHFFFAOYSA-N 1 0 312.373 2.355 50 5 DEBARO C[C@@H](CNc1ccc(Cl)cc1[N+](=O)[O-])N1CC[NH+](C)CC1 ZINC000075610582 401763945 /nfs/dbraw/zinc/76/39/45/401763945.db2.gz RZTQFKFLQOFHDW-NSHDSACASA-N 1 0 312.801 2.296 50 5 DEBARO Cc1cc(NCC[NH+](C)C)nc(-c2cccc([N+](=O)[O-])c2)n1 ZINC000095352980 402026648 /nfs/dbraw/zinc/02/66/48/402026648.db2.gz CEBCWRFLKPQGGL-UHFFFAOYSA-N 1 0 301.350 2.334 50 5 DEBARO COc1ccc([N+](=O)[O-])cc1NC(=O)C[NH2+]Cc1ccccc1 ZINC000052537723 402043774 /nfs/dbraw/zinc/04/37/74/402043774.db2.gz NXMNZWNYGIRXGK-UHFFFAOYSA-N 1 0 315.329 2.332 50 5 DEBARO O=[N+]([O-])c1cnn(C[C@H](O)C[N@@H+]2CCC[C@H]2c2ccsc2)c1 ZINC000247290908 402562557 /nfs/dbraw/zinc/56/25/57/402562557.db2.gz AVZYDHOLDVPDTN-KGLIPLIRSA-N 1 0 322.390 2.051 50 5 DEBARO O=[N+]([O-])c1ccc(C[NH+]2CCC(Cn3ccnn3)CC2)cc1F ZINC000253420824 402665461 /nfs/dbraw/zinc/66/54/61/402665461.db2.gz MIUHLPIDSWDCBS-UHFFFAOYSA-N 1 0 319.340 2.238 50 5 DEBARO C[C@H](CC[NH+]1CCN(C)CC1)Nc1cccc(F)c1[N+](=O)[O-] ZINC000274488887 403060577 /nfs/dbraw/zinc/06/05/77/403060577.db2.gz PPMCMHXABPNCHM-GFCCVEGCSA-N 1 0 310.373 2.172 50 5 DEBARO C[C@@H]1CC[C@@H]2[C@@H](C[N+](C)(C)C)C(=O)O[C@@]23[C@@H]2O[C@]2(C)CC[C@H]13 ZINC000017251603 337352570 /nfs/dbraw/zinc/35/25/70/337352570.db2.gz SNGWWISTWVXYJT-LYFSJVCHSA-N 1 0 308.442 2.218 50 5 DEBARO Cc1ccc(C[NH2+]CC[S@@](=O)C(F)(F)F)cc1[N+](=O)[O-] ZINC000585117157 789704515 /nfs/dbraw/zinc/70/45/15/789704515.db2.gz SKLJVMCJCUBMRR-HXUWFJFHSA-N 1 0 310.297 2.261 50 5 DEBARO O=[N+]([O-])c1cnn(C[C@H](O)C[N@@H+]2CCC[C@@H]2c2ccsc2)c1 ZINC000110635409 194345124 /nfs/dbraw/zinc/34/51/24/194345124.db2.gz AVZYDHOLDVPDTN-ZIAGYGMSSA-N 1 0 322.390 2.051 50 5 DEBARO CC(C)C[N@@H+]1CC[C@]2(O)Oc3ccc([N+](=O)[O-])cc3C=C2C1 ZINC000004863273 401727542 /nfs/dbraw/zinc/72/75/42/401727542.db2.gz PAFPXGOUKLXZBO-INIZCTEOSA-N 1 0 304.346 2.421 50 5 DEBARO C[C@@H]1C[C@H](OC[C@H](O)C[N+]2(C)CCOCC2)CC(C)(C)C1 ZINC000005447216 401729488 /nfs/dbraw/zinc/72/94/88/401729488.db2.gz FDQUJFFWDKRYJR-OAGGEKHMSA-N 1 0 300.463 2.056 50 5 DEBARO N[C@H](c1ccc([N+](=O)[O-])cc1)[C@H]([NH3+])c1ccc([N+](=O)[O-])cc1 ZINC000095532365 402034088 /nfs/dbraw/zinc/03/40/88/402034088.db2.gz XXBNXRXPIYAHOW-ZIAGYGMSSA-N 1 0 302.290 2.203 50 5 DEBARO Cc1nn(C)c(NCC[N@@H+]2CCc3ccccc3C2)c1[N+](=O)[O-] ZINC000097474150 402125464 /nfs/dbraw/zinc/12/54/64/402125464.db2.gz ZTAAVQGABJIYOT-UHFFFAOYSA-N 1 0 315.377 2.107 50 5 DEBARO CCC[NH+]1CCN(c2ncnc3cccc([N+](=O)[O-])c32)CC1 ZINC000337911868 404307411 /nfs/dbraw/zinc/30/74/11/404307411.db2.gz JWNNMMZMPKXKJJ-UHFFFAOYSA-N 1 0 301.350 2.070 50 5 DEBARO O=[N+]([O-])c1c(N2CC[NH+](C3CCCC3)CC2)nc2ccccn21 ZINC000012544679 275032561 /nfs/dbraw/zinc/03/25/61/275032561.db2.gz YVLDIYUCIKEAQY-UHFFFAOYSA-N 1 0 315.377 2.307 50 5 DEBARO C[NH+](C)CCCN1C(=O)CS[C@H]1c1cccc([N+](=O)[O-])c1 ZINC000000031847 180672054 /nfs/dbraw/zinc/67/20/54/180672054.db2.gz JTGAQOPTLOQKIV-AWEZNQCLSA-N 1 0 309.391 2.121 50 5 DEBARO C[C@H]1COC2(CC[NH+](CCc3ccc([N+](=O)[O-])cc3)CC2)O1 ZINC000096414908 402081356 /nfs/dbraw/zinc/08/13/56/402081356.db2.gz LGUAFJNEGXOFFH-ZDUSSCGKSA-N 1 0 306.362 2.365 50 5 DEBARO O=C(/C=C\c1cccc([N+](=O)[O-])c1)N[C@@H]1CC[N@@H+]2CCCC[C@@H]12 ZINC000229724504 402344676 /nfs/dbraw/zinc/34/46/76/402344676.db2.gz YXAKSGRPDJHZLU-KTYGHDLGSA-N 1 0 315.373 2.351 50 5 DEBARO COC[C@@]1(C(=O)OC)CCCCN1Cc1ccc([N+](=O)[O-])cc1 ZINC000585133067 405875213 /nfs/dbraw/zinc/87/52/13/405875213.db2.gz QJWHEYXYTBBXFL-MRXNPFEDSA-N 1 0 322.361 2.139 50 5 DEBARO O=[N+]([O-])c1cc(Br)ccc1OC1CC[NH2+]CC1 ZINC000042775688 275032959 /nfs/dbraw/zinc/03/29/59/275032959.db2.gz ZFKQXKZWTKYQEG-UHFFFAOYSA-N 1 0 301.140 2.488 50 5 DEBARO O=[N+]([O-])c1cc(F)c(N2CCCCC2)cc1N1CC[NH2+]CC1 ZINC000004872282 275033713 /nfs/dbraw/zinc/03/37/13/275033713.db2.gz PFWUHPVXZXYOCO-UHFFFAOYSA-N 1 0 308.357 2.134 50 5 DEBARO CCOc1cccc(N2CC[C@@H]([NH+]3CC=CC3)C2)c1[N+](=O)[O-] ZINC000102223681 279972733 /nfs/dbraw/zinc/97/27/33/279972733.db2.gz IJDJGKWIYCSNNY-CYBMUJFWSA-N 1 0 303.362 2.444 50 5 DEBARO COC(=O)[C@]1(C)[C@H](c2ccc(C)cc2)[C@@H]([N+](=O)[O-])[C@@H]2CCCN21 ZINC000643919611 778935211 /nfs/dbraw/zinc/93/52/11/778935211.db2.gz KCZDAYGAROCAGL-IVSAIRAKSA-N 1 0 318.373 2.134 50 5 DEBARO CN1CC[NH+](CC2CCN(c3sccc3[N+](=O)[O-])CC2)CC1 ZINC000097033904 185399890 /nfs/dbraw/zinc/39/98/90/185399890.db2.gz KWCVPVVPPVSMRK-UHFFFAOYSA-N 1 0 324.450 2.120 50 5 DEBARO O=[N+]([O-])c1cc(Br)ccc1OC[C@H]1CC[NH2+]C1 ZINC000042771394 183307013 /nfs/dbraw/zinc/30/70/13/183307013.db2.gz KQIGLTKSTLEZIW-QMMMGPOBSA-N 1 0 301.140 2.346 50 5 DEBARO CC[N@@H+]1CCC[C@H]1CNC(=O)Nc1ccc(OC)cc1[N+](=O)[O-] ZINC000032895432 401885652 /nfs/dbraw/zinc/88/56/52/401885652.db2.gz JPKKOMQEHWUDCY-NSHDSACASA-N 1 0 322.365 2.209 50 5 DEBARO Cc1c([C@H](C)NC[C@H]2C[N@@H+]3CCC[C@@H]3CO2)cccc1[N+](=O)[O-] ZINC000095967708 402038639 /nfs/dbraw/zinc/03/86/39/402038639.db2.gz MYEUNCHBJXROHE-ZNMIVQPWSA-N 1 0 319.405 2.417 50 5 DEBARO CN(Cc1ccccc1[N+](=O)[O-])C(=O)[C@@H]1CCCCC[C@H]1[NH3+] ZINC000096461355 402092077 /nfs/dbraw/zinc/09/20/77/402092077.db2.gz XFUNPXPJAGYWHA-ZIAGYGMSSA-N 1 0 305.378 2.461 50 5 DEBARO CC[N@@+]1(C)[C@@H]2CC[C@H]1C[C@@H](OC(=O)[C@H](CO)c1ccccc1)C2 ZINC000252460687 529445669 /nfs/dbraw/zinc/44/56/69/529445669.db2.gz HKFMCZVBOTVKDM-QTVCLEQKSA-N 1 0 318.437 2.466 50 5 biogenic DEBARO C[NH+](C)C(C)(C)CNC(=O)N1CCc2c(cccc2[N+](=O)[O-])C1 ZINC000095441570 185366451 /nfs/dbraw/zinc/36/64/51/185366451.db2.gz HXERNKDLJFAURL-UHFFFAOYSA-N 1 0 320.393 2.003 50 5 DEBARO NC(=O)c1cc([N+](=O)[O-])ccc1N[C@@H]1CC[N@@H+](C2CCCC2)C1 ZINC000084351053 539395201 /nfs/dbraw/zinc/39/52/01/539395201.db2.gz IRHZSPCFSXPYBE-LLVKDONJSA-N 1 0 318.377 2.123 50 5 DEBARO CC1(C)CC(=O)[C@@H]([C@@H](O)c2cccc([N+](=O)[O-])c2)C(C)(C)[NH2+]1 ZINC000004785601 181151796 /nfs/dbraw/zinc/15/17/96/181151796.db2.gz RAWHSNLAWGRMQI-KBPBESRZSA-N 1 0 306.362 2.364 50 5 DEBARO C[C@H](C1CC1)[N@H+](C)CC(=O)N1CCc2cc([N+](=O)[O-])ccc21 ZINC000078723325 401863840 /nfs/dbraw/zinc/86/38/40/401863840.db2.gz AITKGEDEWDUMQC-LLVKDONJSA-N 1 0 303.362 2.214 50 5 DEBARO CC1(C)C[C@H](O)[C@H]([C@H](O)c2cccc([N+](=O)[O-])c2)C(C)(C)[NH2+]1 ZINC000004154623 181079042 /nfs/dbraw/zinc/07/90/42/181079042.db2.gz QELWLAXNVYAKPA-BFHYXJOUSA-N 1 0 308.378 2.156 50 5 DEBARO CS[C@@H]1CC[C@H]([N@H+](C)Cc2ccc(C(N)=O)cc2[N+](=O)[O-])C1 ZINC000110646111 194346075 /nfs/dbraw/zinc/34/60/75/194346075.db2.gz WGRLHAQCJIAQFE-QWHCGFSZSA-N 1 0 323.418 2.410 50 5 DEBARO O=C(c1ccc([N+](=O)[O-])cc1F)N1CCC[C@@H]([NH+]2CCCC2)C1 ZINC000071886444 401692258 /nfs/dbraw/zinc/69/22/58/401692258.db2.gz HJOHQUADUDEMQK-CYBMUJFWSA-N 1 0 321.352 2.434 50 5 DEBARO CC[NH+](CC)CCCNC(=O)/C=C/c1ccc([N+](=O)[O-])cc1 ZINC000002829447 401719072 /nfs/dbraw/zinc/71/90/72/401719072.db2.gz IGRXEEOVDCTDNH-DHZHZOJOSA-N 1 0 305.378 2.456 50 5 DEBARO Cc1nn(C)c(NC[C@H](c2cccc(F)c2)[NH+](C)C)c1[N+](=O)[O-] ZINC000075134701 401751026 /nfs/dbraw/zinc/75/10/26/401751026.db2.gz VWDMTIXYKMLZGF-CYBMUJFWSA-N 1 0 321.356 2.491 50 5 DEBARO CC[NH+]1CCC(NC(=O)/C=C\c2ccc(F)cc2[N+](=O)[O-])CC1 ZINC000097299833 402121758 /nfs/dbraw/zinc/12/17/58/402121758.db2.gz JOYWGJROCDONEN-XQRVVYSFSA-N 1 0 321.352 2.348 50 5 DEBARO Cc1ccn(CC[N@@H+](C)Cc2ccc(F)cc2)c(=O)c1[N+](=O)[O-] ZINC000097377178 402123457 /nfs/dbraw/zinc/12/34/57/402123457.db2.gz LWJIVOKZGRNXKJ-UHFFFAOYSA-N 1 0 319.336 2.336 50 5 DEBARO C[N+](C)(C)CCOC(=O)[C@](O)(c1ccccc1)C1CCCC1 ZINC000001899888 180900742 /nfs/dbraw/zinc/90/07/42/180900742.db2.gz DWQGGBPHBPPMCI-SFHVURJKSA-N 1 0 306.426 2.314 50 5 DEBARO [NH2+]=C1Nc2nc3ccccc3n2[C@H](c2cccc([N+](=O)[O-])c2)N1 ZINC000003177738 180988990 /nfs/dbraw/zinc/98/89/90/180988990.db2.gz MKPGPLNWEGNLML-CYBMUJFWSA-N 1 0 308.301 2.041 50 5 DEBARO CC[NH+](CC)CCNc1c2ccccc2n(C)c(=O)c1[N+](=O)[O-] ZINC000004264089 181089374 /nfs/dbraw/zinc/08/93/74/181089374.db2.gz HWEDCWUOCZMPEN-UHFFFAOYSA-N 1 0 318.377 2.200 50 5 DEBARO [NH2+]=C1Nc2nc3ccccc3n2[C@@H](c2ccccc2[N+](=O)[O-])N1 ZINC000003170615 401722565 /nfs/dbraw/zinc/72/25/65/401722565.db2.gz ZHOOKLKZVVOBLY-ZDUSSCGKSA-N 1 0 308.301 2.041 50 5 DEBARO O=C(/C=C\c1cccc([N+](=O)[O-])c1)NC[C@H]1CC[N@@H+](C2CC2)C1 ZINC000104102003 402197715 /nfs/dbraw/zinc/19/77/15/402197715.db2.gz VYZSBLMRESQRAZ-HJHHMULASA-N 1 0 315.373 2.209 50 5 DEBARO O=[N+]([O-])c1nn(CCC[NH+]2CCCCC2)cc1Br ZINC000195576206 402273769 /nfs/dbraw/zinc/27/37/69/402273769.db2.gz MQEMLQQKLAWEML-UHFFFAOYSA-N 1 0 317.187 2.430 50 5 DEBARO O=C(CC[N@@H+]1CCO[C@@H]2CCC[C@H]21)Nc1cccc([N+](=O)[O-])c1 ZINC000230132483 402348163 /nfs/dbraw/zinc/34/81/63/402348163.db2.gz ZCQHQSSGEPUYTB-HUUCEWRRSA-N 1 0 319.361 2.177 50 5 DEBARO C[C@@H]([NH2+][C@@H](C)CCS(C)(=O)=O)c1ccc([N+](=O)[O-])cc1 ZINC000095969385 278362950 /nfs/dbraw/zinc/36/29/50/278362950.db2.gz MRVXSYYPFRAPTO-WDEREUQCSA-N 1 0 300.380 2.069 50 5 DEBARO Cc1ccsc1C[NH2+][C@H](CO)[C@H](O)c1ccc([N+](=O)[O-])cc1 ZINC000085324900 539400227 /nfs/dbraw/zinc/40/02/27/539400227.db2.gz SMZOQDVOXGNVTI-UKRRQHHQSA-N 1 0 322.386 2.149 50 5 DEBARO NC(=[NH2+])SCC(=O)Nc1c(Cl)cc([N+](=O)[O-])cc1Cl ZINC000004015669 181063253 /nfs/dbraw/zinc/06/32/53/181063253.db2.gz NEAKMSFJUMOZGS-UHFFFAOYSA-N 1 0 323.161 2.467 50 5 DEBARO O=C(NCCNc1cc[nH+]cc1)Nc1cccc([N+](=O)[O-])c1 ZINC000040555351 183101670 /nfs/dbraw/zinc/10/16/70/183101670.db2.gz XLIJOSFRMWFTDT-UHFFFAOYSA-N 1 0 301.306 2.223 50 5 DEBARO O=[N+]([O-])c1ccc(N2CC[NH2+]CC2)cc1NCc1ccccn1 ZINC000004740888 401727733 /nfs/dbraw/zinc/72/77/33/401727733.db2.gz AQSMHOXTZHARHK-UHFFFAOYSA-N 1 0 313.361 2.012 50 5 DEBARO C[NH+](C)CCC1CCN(C(=O)Cc2ccc([N+](=O)[O-])cc2)CC1 ZINC000071904021 401695153 /nfs/dbraw/zinc/69/51/53/401695153.db2.gz DFCQHMOZSFIPLU-UHFFFAOYSA-N 1 0 319.405 2.328 50 5 DEBARO C[C@@H](CNC(=O)Cc1ccccc1[N+](=O)[O-])[N@@H+]1CCC[C@@H](C)C1 ZINC000046952221 401975954 /nfs/dbraw/zinc/97/59/54/401975954.db2.gz MNYRYKZVTXVSJD-KGLIPLIRSA-N 1 0 319.405 2.374 50 5 DEBARO C[NH+](C)CCSc1ncc(Br)cc1[N+](=O)[O-] ZINC000089314373 401942345 /nfs/dbraw/zinc/94/23/45/401942345.db2.gz OKILRBXGBFLTSP-UHFFFAOYSA-N 1 0 306.185 2.406 50 5 DEBARO Cc1cnc(N(CC[NH+](C)C)Cc2ccco2)c([N+](=O)[O-])c1 ZINC000096469366 402092955 /nfs/dbraw/zinc/09/29/55/402092955.db2.gz LWSXMLRMYNLFJM-UHFFFAOYSA-N 1 0 304.350 2.459 50 5 DEBARO CS[C@@H]1CCC[C@H]1[N@H+](C)Cc1ccc(C(N)=O)cc1[N+](=O)[O-] ZINC000107146006 402226320 /nfs/dbraw/zinc/22/63/20/402226320.db2.gz WPKPBRVICVSWIX-TZMCWYRMSA-N 1 0 323.418 2.410 50 5 DEBARO C[C@H](C[NH2+][C@@H](C)c1ccc([N+](=O)[O-])cc1)N1CCOC[C@H]1C ZINC000252510809 424888200 /nfs/dbraw/zinc/88/82/00/424888200.db2.gz BWIDYRLXNOAYNM-MCIONIFRSA-N 1 0 307.394 2.355 50 5 DEBARO CC(=O)c1ccc(NC[C@H](O)C[NH+]2CCCCC2)c([N+](=O)[O-])c1 ZINC000052131338 332703507 /nfs/dbraw/zinc/70/35/07/332703507.db2.gz WZBJAJBUJGJFJT-AWEZNQCLSA-N 1 0 321.377 2.056 50 5 DEBARO O=[N+]([O-])c1ccc(N[C@H]2CC[N@H+](C[C@@H]3CCCCO3)C2)nc1 ZINC000078950148 185134213 /nfs/dbraw/zinc/13/42/13/185134213.db2.gz ZBWKJWYVYWUYMR-JSGCOSHPSA-N 1 0 306.366 2.045 50 5 DEBARO O=[N+]([O-])c1ccccc1OC[C@H](O)C[N@@H+]1C[C@@H]2CCC[C@@H]2C1 ZINC000097371904 285165082 /nfs/dbraw/zinc/16/50/82/285165082.db2.gz MITCFIKAIDGRPS-HZSPNIEDSA-N 1 0 306.362 2.066 50 5 DEBARO C[N+]1(C)CC[C@H](OC(=O)[C@](O)(c2ccccc2)C2CCCC2)C1 ZINC000000000346 401687365 /nfs/dbraw/zinc/68/73/65/401687365.db2.gz ANGKOCUUWGHLCE-HKUYNNGSSA-N 1 0 318.437 2.456 50 5 fda DEBARO C[C@@H](CNC(=O)Cc1ccccc1[N+](=O)[O-])[N@@H+]1CCC[C@H](C)C1 ZINC000046952223 401975654 /nfs/dbraw/zinc/97/56/54/401975654.db2.gz MNYRYKZVTXVSJD-KBPBESRZSA-N 1 0 319.405 2.374 50 5 DEBARO CCOc1ccc([C@H](C)[NH2+][C@@H]2CCC(=O)N(C)C2)cc1[N+](=O)[O-] ZINC000095982170 402042264 /nfs/dbraw/zinc/04/22/64/402042264.db2.gz FUKPZKRVBGTFFG-WCQYABFASA-N 1 0 321.377 2.265 50 5 DEBARO Cc1cc(N2CCC[C@H](C[NH+]3CCOCC3)C2)ccc1[N+](=O)[O-] ZINC000096429477 402084775 /nfs/dbraw/zinc/08/47/75/402084775.db2.gz JGBNXFJUNKOBQZ-OAHLLOKOSA-N 1 0 319.405 2.452 50 5 DEBARO O=[N+]([O-])c1ccnn1C[C@H]1C[N@H+](Cc2ccccc2)CCCO1 ZINC000284194790 403252759 /nfs/dbraw/zinc/25/27/59/403252759.db2.gz KULZBYNPTKHXGI-OAHLLOKOSA-N 1 0 316.361 2.082 50 5 DEBARO COC(=O)[C@]1(C)[C@H](c2ccc(C)cc2)[C@@H]([N+](=O)[O-])[C@H]2CCCN21 ZINC000643919608 778935264 /nfs/dbraw/zinc/93/52/64/778935264.db2.gz KCZDAYGAROCAGL-AIANPOQGSA-N 1 0 318.373 2.134 50 5 DEBARO CC1(C)C[C@H](O)[C@H]([C@@H](O)c2cccc([N+](=O)[O-])c2)C(C)(C)[NH2+]1 ZINC000013143607 181833209 /nfs/dbraw/zinc/83/32/09/181833209.db2.gz QELWLAXNVYAKPA-MJBXVCDLSA-N 1 0 308.378 2.156 50 5 DEBARO CS[C@@H]1CC[C@@H]([N@H+](C)Cc2ccc(C(N)=O)cc2[N+](=O)[O-])C1 ZINC000110646116 194345339 /nfs/dbraw/zinc/34/53/39/194345339.db2.gz WGRLHAQCJIAQFE-CHWSQXEVSA-N 1 0 323.418 2.410 50 5 DEBARO [NH2+]=C1Nc2nc3ccccc3n2[C@@H](c2ccc([N+](=O)[O-])cc2)N1 ZINC000003177247 401722533 /nfs/dbraw/zinc/72/25/33/401722533.db2.gz ZYYGXYFZUAHEGK-ZDUSSCGKSA-N 1 0 308.301 2.041 50 5 DEBARO CC1CCN(c2cc(N3CC[NH2+]CC3)c([N+](=O)[O-])cc2F)CC1 ZINC000004543778 401726879 /nfs/dbraw/zinc/72/68/79/401726879.db2.gz PXXSWCOIXGBRCJ-UHFFFAOYSA-N 1 0 322.384 2.380 50 5 DEBARO O=[N+]([O-])c1cccc(OCC[N@H+](C[C@@H]2CCOC2)C2CC2)c1 ZINC000046091780 401965398 /nfs/dbraw/zinc/96/53/98/401965398.db2.gz BCSSLNFMHHFSPG-ZDUSSCGKSA-N 1 0 306.362 2.475 50 5 DEBARO COC(=O)c1ccc([N+](=O)[O-])c(N2CC[C@@H]([NH+]3CCCC3)C2)c1 ZINC000097082457 402105148 /nfs/dbraw/zinc/10/51/48/402105148.db2.gz BSCLJVYLPKHWOA-CYBMUJFWSA-N 1 0 319.361 2.056 50 5 DEBARO C[N+]1(C)[C@@H]2CC[C@H]1C[C@H](OC(=O)[C@H](CO)c1ccccc1)C2 ZINC000100387202 402140797 /nfs/dbraw/zinc/14/07/97/402140797.db2.gz PIPAJLPNWZMYQA-YYIAUSFCSA-N 1 0 304.410 2.076 50 5 biogenic,in-man DEBARO O=[N+]([O-])c1cnn(C[C@H](O)C[N@@H+]2CCC[C@H]2c2cccs2)c1 ZINC000241644161 225215883 /nfs/dbraw/zinc/21/58/83/225215883.db2.gz POSWYWGDPOXOEB-OLZOCXBDSA-N 1 0 322.390 2.051 50 5 DEBARO COc1cccc(N2C[C@@H](SC)[C@H]([NH+](C)C)C2)c1[N+](=O)[O-] ZINC000274699155 278017145 /nfs/dbraw/zinc/01/71/45/278017145.db2.gz PDNNHVULRJRRHG-DGCLKSJQSA-N 1 0 311.407 2.085 50 5 DEBARO O=C(CC[N@@H+]1CCO[C@H]2CCC[C@@H]21)Nc1cccc([N+](=O)[O-])c1 ZINC000095397366 185353256 /nfs/dbraw/zinc/35/32/56/185353256.db2.gz ZCQHQSSGEPUYTB-GJZGRUSLSA-N 1 0 319.361 2.177 50 5 DEBARO O=C(CC[N@@H+]1CCO[C@@H]2CCC[C@@H]21)Nc1cccc([N+](=O)[O-])c1 ZINC000095397367 185353309 /nfs/dbraw/zinc/35/33/09/185353309.db2.gz ZCQHQSSGEPUYTB-LSDHHAIUSA-N 1 0 319.361 2.177 50 5 DEBARO Cc1ccsc1C[NH2+][C@@H](CO)[C@@H](O)c1ccc([N+](=O)[O-])cc1 ZINC000085324902 539399701 /nfs/dbraw/zinc/39/97/01/539399701.db2.gz SMZOQDVOXGNVTI-ZFWWWQNUSA-N 1 0 322.386 2.149 50 5 DEBARO CCC(=O)O[C@H](COCc1ccccc1)C[N+]1(C)CCOCC1 ZINC000004566231 181125562 /nfs/dbraw/zinc/12/55/62/181125562.db2.gz NNHYXMNPGRJAPT-KRWDZBQOSA-N 1 0 322.425 2.002 50 5 DEBARO CCCOC(=O)N(CCC[NH+](C)C)c1ncc([N+](=O)[O-])s1 ZINC000096027536 355698392 /nfs/dbraw/zinc/69/83/92/355698392.db2.gz PIFRBWFTLFPEEP-UHFFFAOYSA-N 1 0 316.383 2.356 50 5 DEBARO C[N@H+](CCCNC(=O)c1ccc([N+](=O)[O-])o1)Cc1ccccc1 ZINC000041981197 183227341 /nfs/dbraw/zinc/22/73/41/183227341.db2.gz NAQFBOMJWGEIRC-UHFFFAOYSA-N 1 0 317.345 2.440 50 5 DEBARO CCC(=O)C[C@@H]1c2c(cc3c(c2OC)OCO3)CC[N+]1(C)C ZINC000000487969 401699779 /nfs/dbraw/zinc/69/97/79/401699779.db2.gz IYLGHADHMXBYGO-CYBMUJFWSA-N 1 0 306.382 2.467 50 5 biogenic DEBARO CC(=O)n1cc([C@@H](C[N+](=O)[O-])SCC[NH3+])c2ccccc21 ZINC000001871948 401711208 /nfs/dbraw/zinc/71/12/08/401711208.db2.gz MDKWQOMHWROFIK-CQSZACIVSA-N 1 0 307.375 2.311 50 5 DEBARO Fc1cc(Br)ccc1C[N+]12CCN(CC1)CC2 ZINC000006657344 282959704 /nfs/dbraw/zinc/95/97/04/282959704.db2.gz OXNBFVSDBYQTBT-UHFFFAOYSA-N 1 0 300.195 2.234 50 5 DEBARO Cc1ccc([N+](=O)[O-])c(OCCCC[NH+]2CCN(C)CC2)c1 ZINC000004842547 181162067 /nfs/dbraw/zinc/16/20/67/181162067.db2.gz YGMQPYFWKQDOAH-UHFFFAOYSA-N 1 0 307.394 2.310 50 5 DEBARO CC1(C)CC[C@@H]1[NH2+]CCS(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC000284429077 218023195 /nfs/dbraw/zinc/02/31/95/218023195.db2.gz RGLKPFIVFFZHMC-ZDUSSCGKSA-N 1 0 312.391 2.147 50 5 DEBARO C[NH+](C)CCCN1C(=O)CS[C@@H]1c1ccc([N+](=O)[O-])cc1 ZINC000000292839 401693449 /nfs/dbraw/zinc/69/34/49/401693449.db2.gz CDJOLKQJMZJKNP-CQSZACIVSA-N 1 0 309.391 2.121 50 5 DEBARO C[C@H]([NH2+]C[C@@H](c1cnn(C)c1)N(C)C)c1ccc([N+](=O)[O-])cc1 ZINC000095422654 402032603 /nfs/dbraw/zinc/03/26/03/402032603.db2.gz RBLBMKCWTJCNJZ-LRDDRELGSA-N 1 0 317.393 2.282 50 5 DEBARO CC1CC[NH+](C[C@@H](O)COc2ccc(F)cc2[N+](=O)[O-])CC1 ZINC000095439057 402033116 /nfs/dbraw/zinc/03/31/16/402033116.db2.gz YIWORTVHLCTDKS-CYBMUJFWSA-N 1 0 312.341 2.206 50 5 DEBARO C[N@H+](CCC(=O)Nc1cccc([N+](=O)[O-])c1)C[C@H]1CCCCO1 ZINC000095957545 402036809 /nfs/dbraw/zinc/03/68/09/402036809.db2.gz QCTPWHZLVYZDHN-OAHLLOKOSA-N 1 0 321.377 2.424 50 5 DEBARO O=[N+]([O-])c1ccc(NC2CC[NH+](Cc3ccccn3)CC2)nc1 ZINC000052407562 402041831 /nfs/dbraw/zinc/04/18/31/402041831.db2.gz XMQQFRBRWBKJHV-UHFFFAOYSA-N 1 0 313.361 2.461 50 5 DEBARO CCOc1ccc([C@@H](C)[NH2+][C@@H]2CCC(=O)N(C)C2)cc1[N+](=O)[O-] ZINC000095982169 402041860 /nfs/dbraw/zinc/04/18/60/402041860.db2.gz FUKPZKRVBGTFFG-DGCLKSJQSA-N 1 0 321.377 2.265 50 5 DEBARO COC(=O)c1cc(N2CC[N@@H+]3CCCC[C@@H]3C2)ccc1[N+](=O)[O-] ZINC000096405625 402078509 /nfs/dbraw/zinc/07/85/09/402078509.db2.gz AYFJUUBVOJQFJR-CYBMUJFWSA-N 1 0 319.361 2.056 50 5 DEBARO COc1cccc(C(=O)N[C@@H](C)C(C)(C)C[NH+](C)C)c1[N+](=O)[O-] ZINC000192621461 402741132 /nfs/dbraw/zinc/74/11/32/402741132.db2.gz IRLXUMOJFKDCHA-NSHDSACASA-N 1 0 323.393 2.310 50 5 DEBARO Cc1c([C@H](C)NC[C@@H]2C[N@@H+]3CCC[C@H]3CO2)cccc1[N+](=O)[O-] ZINC000252512125 424888315 /nfs/dbraw/zinc/88/83/15/424888315.db2.gz MYEUNCHBJXROHE-SOUVJXGZSA-N 1 0 319.405 2.417 50 5 DEBARO COC(=O)c1cc(N2CC[N@@H+]3CCCC[C@H]3C2)ccc1[N+](=O)[O-] ZINC000247808039 533851909 /nfs/dbraw/zinc/85/19/09/533851909.db2.gz AYFJUUBVOJQFJR-ZDUSSCGKSA-N 1 0 319.361 2.056 50 5 DEBARO CC1(C)CC(=O)[C@@H]([C@H](O)c2cccc([N+](=O)[O-])c2)C(C)(C)[NH2+]1 ZINC000004785599 181152004 /nfs/dbraw/zinc/15/20/04/181152004.db2.gz RAWHSNLAWGRMQI-UONOGXRCSA-N 1 0 306.362 2.364 50 5 DEBARO C[C@H](NC(=O)N(C)C[C@@H]1CC[N@H+](C)C1)c1cccc([N+](=O)[O-])c1 ZINC000078757791 355277390 /nfs/dbraw/zinc/27/73/90/355277390.db2.gz REFQDNMXDGDGLV-QWHCGFSZSA-N 1 0 320.393 2.249 50 5 DEBARO CC(=O)N1CC[C@@H](C[N@@H+](C)Cc2ccc(C)c([N+](=O)[O-])c2)C1 ZINC000092100734 193158293 /nfs/dbraw/zinc/15/82/93/193158293.db2.gz BYZRGWRCXWSMEP-HNNXBMFYSA-N 1 0 305.378 2.203 50 5 DEBARO O=[N+]([O-])c1ccccc1OC[C@@H](O)C[N@@H+]1CCC2(CCC2)C1 ZINC000096009765 285164203 /nfs/dbraw/zinc/16/42/03/285164203.db2.gz LYRFGSZCOHWPKU-ZDUSSCGKSA-N 1 0 306.362 2.211 50 5 DEBARO Cc1cc(OCCCC[NH+]2CCN(C)CC2)ccc1[N+](=O)[O-] ZINC000003000636 401720968 /nfs/dbraw/zinc/72/09/68/401720968.db2.gz CFVMLSFMCBVJIX-UHFFFAOYSA-N 1 0 307.394 2.310 50 5 DEBARO COC(=O)c1ccc([N+](=O)[O-])c(NCC2CC[NH+](C)CC2)c1 ZINC000097082450 402104984 /nfs/dbraw/zinc/10/49/84/402104984.db2.gz MOJCCVSQDJBKAW-UHFFFAOYSA-N 1 0 307.350 2.135 50 5 DEBARO O=[N+]([O-])c1cccc(-c2cnc(CC[NH+]3CCC(O)CC3)o2)c1 ZINC000069527472 402228983 /nfs/dbraw/zinc/22/89/83/402228983.db2.gz CYGZIIOVIFGHFE-UHFFFAOYSA-N 1 0 317.345 2.249 50 5 DEBARO COc1ccc([N+](=O)[O-])c(C(=O)NCCC[NH+]2CCCCC2)c1 ZINC000069535351 402230032 /nfs/dbraw/zinc/23/00/32/402230032.db2.gz ZTZGBIRNTKQHSR-UHFFFAOYSA-N 1 0 321.377 2.209 50 5 DEBARO COc1cccc(N2C[C@@H](SC)[C@@H]([NH+](C)C)C2)c1[N+](=O)[O-] ZINC000274699156 403079361 /nfs/dbraw/zinc/07/93/61/403079361.db2.gz PDNNHVULRJRRHG-WCQYABFASA-N 1 0 311.407 2.085 50 5 DEBARO COC[C@]1(C(=O)OC)CCCCN1Cc1ccc([N+](=O)[O-])cc1 ZINC000585133066 405874984 /nfs/dbraw/zinc/87/49/84/405874984.db2.gz QJWHEYXYTBBXFL-INIZCTEOSA-N 1 0 322.361 2.139 50 5 DEBARO Cc1ncc([N+](=O)[O-])cc1C(=O)N1CC[NH+](CCC(C)C)CC1 ZINC000048793188 424835597 /nfs/dbraw/zinc/83/55/97/424835597.db2.gz WOOZJIAXZPXABV-UHFFFAOYSA-N 1 0 320.393 2.102 50 5 DEBARO CCn1c(CC[NH3+])nnc1Sc1ccc([N+](=O)[O-])c(C)c1 ZINC000092665052 185332655 /nfs/dbraw/zinc/33/26/55/185332655.db2.gz VIAXPCVJKNGLOI-UHFFFAOYSA-N 1 0 307.379 2.167 50 5 DEBARO CC[NH+](CC)CCNc1c2ccccc2oc(=O)c1[N+](=O)[O-] ZINC000003896372 401724962 /nfs/dbraw/zinc/72/49/62/401724962.db2.gz RRABXLZGCDIZFJ-UHFFFAOYSA-N 1 0 305.334 2.455 50 5 DEBARO C[C@@H]1C[C@H](OC[C@@H](O)C[N+]2(C)CCOCC2)CC(C)(C)C1 ZINC000013306595 401798589 /nfs/dbraw/zinc/79/85/89/401798589.db2.gz FDQUJFFWDKRYJR-PMPSAXMXSA-N 1 0 300.463 2.056 50 5 DEBARO C[C@@H]([NH2+]C[C@@H](c1cnn(C)c1)N(C)C)c1ccc([N+](=O)[O-])cc1 ZINC000095422655 402032520 /nfs/dbraw/zinc/03/25/20/402032520.db2.gz RBLBMKCWTJCNJZ-WBMJQRKESA-N 1 0 317.393 2.282 50 5 DEBARO C[C@@H]([NH2+]C(CO)CO)c1ccc(-c2ccccc2[N+](=O)[O-])s1 ZINC000095968592 402038392 /nfs/dbraw/zinc/03/83/92/402038392.db2.gz VHCHYVYHEODKLI-SNVBAGLBSA-N 1 0 322.386 2.327 50 5 DEBARO Cc1ccc(NCCCC[NH+]2CCN(C)CC2)c([N+](=O)[O-])c1 ZINC000095973713 402039669 /nfs/dbraw/zinc/03/96/69/402039669.db2.gz WLWLKGAQTHRVIC-UHFFFAOYSA-N 1 0 306.410 2.343 50 5 DEBARO Cc1cc(C(=O)N[C@@H]2C[N@H+](C(C)C)C[C@H]2C)cc([N+](=O)[O-])c1 ZINC000247527155 524134195 /nfs/dbraw/zinc/13/41/95/524134195.db2.gz ZNGCZULONJUESG-IUODEOHRSA-N 1 0 305.378 2.362 50 5 DEBARO O=[N+]([O-])c1ccc(N[C@@H]2CC[N@H+](C[C@@H]3CCCCO3)C2)nc1 ZINC000078950145 185134262 /nfs/dbraw/zinc/13/42/62/185134262.db2.gz ZBWKJWYVYWUYMR-OCCSQVGLSA-N 1 0 306.366 2.045 50 5 DEBARO CC[N@@+]1(C)[C@@H]2CC[C@H]1C[C@H](OC(=O)[C@@H](CO)c1ccccc1)C2 ZINC000252460686 529445535 /nfs/dbraw/zinc/44/55/35/529445535.db2.gz HKFMCZVBOTVKDM-MUPNANLLSA-N 1 0 318.437 2.466 50 5 biogenic DEBARO COc1cc([N+](=O)[O-])ccc1NC(=O)N[C@@H](C)CC[NH+](C)C ZINC000095945712 193454296 /nfs/dbraw/zinc/45/42/96/193454296.db2.gz IBDQCPDUGSPWQI-JTQLQIEISA-N 1 0 310.354 2.065 50 5 DEBARO CN(Cc1ccccc1[N+](=O)[O-])C(=O)[C@H]1CCCCC[C@H]1[NH3+] ZINC000096461356 193657378 /nfs/dbraw/zinc/65/73/78/193657378.db2.gz XFUNPXPJAGYWHA-UONOGXRCSA-N 1 0 305.378 2.461 50 5 DEBARO CCC(=O)C[C@H]1c2c(cc3c(c2OC)OCO3)CC[N+]1(C)C ZINC000000487968 401699487 /nfs/dbraw/zinc/69/94/87/401699487.db2.gz IYLGHADHMXBYGO-ZDUSSCGKSA-N 1 0 306.382 2.467 50 5 biogenic DEBARO C[N+]1(C)CC[C@@H](OC(=O)[C@@](O)(c2ccccc2)C2CCCC2)C1 ZINC000000968301 401703297 /nfs/dbraw/zinc/70/32/97/401703297.db2.gz ANGKOCUUWGHLCE-IEBWSBKVSA-N 1 0 318.437 2.456 50 5 fda DEBARO Cc1cc(C(=O)NC2CC[NH+](C3CC3)CC2)ccc1[N+](=O)[O-] ZINC000014528297 401812049 /nfs/dbraw/zinc/81/20/49/401812049.db2.gz NIKDQVHEGDYUAZ-UHFFFAOYSA-N 1 0 303.362 2.260 50 5 DEBARO O=C(NC1CC[NH+](CCc2ccc([N+](=O)[O-])cc2)CC1)C1CC1 ZINC000048367098 401999113 /nfs/dbraw/zinc/99/91/13/401999113.db2.gz YJVIFGBKLZGFQX-UHFFFAOYSA-N 1 0 317.389 2.128 50 5 DEBARO COC(=O)c1ccc([N+](=O)[O-])c(N2CC[C@H]([NH+]3CCCC3)C2)c1 ZINC000097082456 402105166 /nfs/dbraw/zinc/10/51/66/402105166.db2.gz BSCLJVYLPKHWOA-ZDUSSCGKSA-N 1 0 319.361 2.056 50 5 DEBARO N[C@@H](c1ccc([N+](=O)[O-])cc1)[C@@H]([NH3+])c1ccc([N+](=O)[O-])cc1 ZINC000029786517 401859392 /nfs/dbraw/zinc/85/93/92/401859392.db2.gz XXBNXRXPIYAHOW-KBPBESRZSA-N 1 0 302.290 2.203 50 5 DEBARO Cn1cnnc1C1CC[NH+](Cc2ccc([N+](=O)[O-])cc2)CC1 ZINC000095351536 402026319 /nfs/dbraw/zinc/02/63/19/402026319.db2.gz FYUIKYFPZZSQKZ-UHFFFAOYSA-N 1 0 301.350 2.103 50 5 DEBARO C[N@H+](CCC(=O)Nc1cccc([N+](=O)[O-])c1)C[C@@H]1CCCCO1 ZINC000095957544 402036476 /nfs/dbraw/zinc/03/64/76/402036476.db2.gz QCTPWHZLVYZDHN-HNNXBMFYSA-N 1 0 321.377 2.424 50 5 DEBARO CC(=O)NCCCNc1cc(C)[nH+]c2ccc([N+](=O)[O-])cc12 ZINC000097083780 402105255 /nfs/dbraw/zinc/10/52/55/402105255.db2.gz RWIJXDSIIWOLJQ-UHFFFAOYSA-N 1 0 302.334 2.390 50 5 DEBARO O=C(c1ccccc1[N+](=O)[O-])N1CCC[C@@H]([NH+]2CCCC2)C1 ZINC000069872449 402248386 /nfs/dbraw/zinc/24/83/86/402248386.db2.gz OMHZFRSATWMOHF-CYBMUJFWSA-N 1 0 303.362 2.295 50 5 DEBARO CC(C)(C)[C@@H]1CCCC[C@@H]1[NH2+]C[C@@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000195531723 402850612 /nfs/dbraw/zinc/85/06/12/402850612.db2.gz ZRKPVRRHROONNE-KFWWJZLASA-N 1 0 324.425 2.347 50 5 DEBARO C[NH+]1CCN(c2ccc([N+](=O)[O-])c(N3CCCCC3)c2)CC1 ZINC000003894074 277113050 /nfs/dbraw/zinc/11/30/50/277113050.db2.gz RKFTZIAMCCNALR-UHFFFAOYSA-N 1 0 304.394 2.337 50 5 DEBARO O=[N+]([O-])c1ccc(OC2CC[NH+](CCn3cccn3)CC2)cc1 ZINC000174247407 198310195 /nfs/dbraw/zinc/31/01/95/198310195.db2.gz CLRFMYPLJLAMKC-UHFFFAOYSA-N 1 0 316.361 2.335 50 5 DEBARO O=C([C@H]1CCC[N@@H+](Cc2cccc([N+](=O)[O-])c2)C1)N1CCCC1 ZINC000004746222 181147105 /nfs/dbraw/zinc/14/71/05/181147105.db2.gz GQBUOBMECVJKKK-HNNXBMFYSA-N 1 0 317.389 2.429 50 5 DEBARO C[C@H](CNC(=O)Cc1ccccc1[N+](=O)[O-])[N@@H+]1CCC[C@H](C)C1 ZINC000106078667 194184347 /nfs/dbraw/zinc/18/43/47/194184347.db2.gz MNYRYKZVTXVSJD-UONOGXRCSA-N 1 0 319.405 2.374 50 5 DEBARO O=[N+]([O-])c1cnn(C[C@@H](O)C[N@@H+]2CCC[C@@H]2c2cccs2)c1 ZINC000076082255 401781469 /nfs/dbraw/zinc/78/14/69/401781469.db2.gz POSWYWGDPOXOEB-QWHCGFSZSA-N 1 0 322.390 2.051 50 5 DEBARO COCC[NH+](CCOC)Cc1ccc(Cl)c([N+](=O)[O-])c1 ZINC000096111316 402060433 /nfs/dbraw/zinc/06/04/33/402060433.db2.gz OYCQYFVPLAZFKN-UHFFFAOYSA-N 1 0 302.758 2.343 50 5 DEBARO Cc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@H+]1C[C@H](C)OC[C@H]1C ZINC000240444279 402442154 /nfs/dbraw/zinc/44/21/54/402442154.db2.gz FXDUUTLHAWCCMH-OLZOCXBDSA-N 1 0 321.377 2.341 50 5 DEBARO O=[N+]([O-])c1cnccc1NCC1([NH+]2CCCCC2)CCOCC1 ZINC000072290787 354900238 /nfs/dbraw/zinc/90/02/38/354900238.db2.gz FQNLWWNVGLVXRV-UHFFFAOYSA-N 1 0 320.393 2.437 50 5 DEBARO O=C(/C=C/c1cccc([N+](=O)[O-])c1)NC[C@@H]1CC[N@@H+](C2CC2)C1 ZINC000071888993 401692909 /nfs/dbraw/zinc/69/29/09/401692909.db2.gz VYZSBLMRESQRAZ-GBXSZLQWSA-N 1 0 315.373 2.209 50 5 DEBARO CC[C@@](CO)(C(=O)O[C@@H]1C[N+]2(C)CCC1CC2)c1ccccc1 ZINC000000355496 401695239 /nfs/dbraw/zinc/69/52/39/401695239.db2.gz FQSXHTCAEAKDPA-ADYZQAKGSA-N 1 0 318.437 2.109 50 5 DEBARO CC(C)[N@@H+]1CC[C@H](NC(=O)/C=C\c2ccccc2[N+](=O)[O-])C1 ZINC000097312364 402121614 /nfs/dbraw/zinc/12/16/14/402121614.db2.gz JUPVXMVXLDRUFZ-DANTVBBOSA-N 1 0 303.362 2.207 50 5 DEBARO Cc1cc(N[C@@H]2CCS(=O)(=O)C2)c2cc([N+](=O)[O-])ccc2[nH+]1 ZINC000097083754 402105620 /nfs/dbraw/zinc/10/56/20/402105620.db2.gz OOVFIVAQLANRCB-SNVBAGLBSA-N 1 0 321.358 2.050 50 5 DEBARO CC[NH+]1CCC(NC(=O)/C=C/c2ccc(F)cc2[N+](=O)[O-])CC1 ZINC000069814418 402245471 /nfs/dbraw/zinc/24/54/71/402245471.db2.gz JOYWGJROCDONEN-GQCTYLIASA-N 1 0 321.352 2.348 50 5 DEBARO O=[N+]([O-])c1ccc2c(c1NCCCC[NH+]1CCOCC1)CCN2 ZINC000170601990 402506625 /nfs/dbraw/zinc/50/66/25/402506625.db2.gz OLXVKHXMIQKAQS-UHFFFAOYSA-N 1 0 320.393 2.087 50 5 DEBARO Cn1cc([C@@H](CNc2cc(F)ccc2[N+](=O)[O-])[NH+](C)C)cn1 ZINC000302825111 230843580 /nfs/dbraw/zinc/84/35/80/230843580.db2.gz YFTRRPNLUZMZBS-CQSZACIVSA-N 1 0 307.329 2.182 50 5 DEBARO CC[N+](CC)(CC)C[C@@H](O)Cn1c(=O)sc2ccccc21 ZINC000000405488 180777874 /nfs/dbraw/zinc/77/78/74/180777874.db2.gz PYYYWBHWIQXCOR-ZDUSSCGKSA-N 1 0 309.455 2.300 50 5 DEBARO Cc1nn(C)c(NC[C@@H](c2cccc(F)c2)[NH+](C)C)c1[N+](=O)[O-] ZINC000075134698 191428652 /nfs/dbraw/zinc/42/86/52/191428652.db2.gz VWDMTIXYKMLZGF-ZDUSSCGKSA-N 1 0 321.356 2.491 50 5 DEBARO Cn1cnc([N+](=O)[O-])c1N1CC[NH+](CC2CCCCC2)CC1 ZINC000031792506 182624195 /nfs/dbraw/zinc/62/41/95/182624195.db2.gz OMCHAAYWNDOXEB-UHFFFAOYSA-N 1 0 307.398 2.031 50 5 DEBARO C[N@@H+]1CCCC[C@H]1CN1CCN(c2ccc([N+](=O)[O-])cc2)CC1 ZINC000069561939 184525965 /nfs/dbraw/zinc/52/59/65/184525965.db2.gz GMBBBTCSSZKYAN-KRWDZBQOSA-N 1 0 318.421 2.201 50 5 DEBARO CC[C@](CO)(C(=O)O[C@@H]1C[N+]2(C)CCC1CC2)c1ccccc1 ZINC000000355495 401694998 /nfs/dbraw/zinc/69/49/98/401694998.db2.gz FQSXHTCAEAKDPA-NZVUXIEPSA-N 1 0 318.437 2.109 50 5 DEBARO C[N+]1(C)CC[C@H](OC(=O)[C@@](O)(c2ccccc2)C2CCCC2)C1 ZINC000000896958 401703638 /nfs/dbraw/zinc/70/36/38/401703638.db2.gz ANGKOCUUWGHLCE-PKOBYXMFSA-N 1 0 318.437 2.456 50 5 fda DEBARO C[C@H](CNc1ccc(Cl)cc1[N+](=O)[O-])N1CC[NH+](C)CC1 ZINC000075610584 401764371 /nfs/dbraw/zinc/76/43/71/401764371.db2.gz RZTQFKFLQOFHDW-LLVKDONJSA-N 1 0 312.801 2.296 50 5 DEBARO CCCCn1cc[n+](Cc2nc3cccc([N+](=O)[O-])c3[nH]2)c1 ZINC000013003160 401795432 /nfs/dbraw/zinc/79/54/32/401795432.db2.gz QMEAQMXECKXKFS-UHFFFAOYSA-N 1 0 300.342 2.409 50 5 DEBARO CCc1nc2c(s1)[C@H]([NH2+]CCn1cc([N+](=O)[O-])cn1)CCC2 ZINC000090539988 539417627 /nfs/dbraw/zinc/41/76/27/539417627.db2.gz LQVAHYJGHHISAE-LLVKDONJSA-N 1 0 321.406 2.477 50 5 DEBARO CC[C@@]1(C(=O)N(C)Cc2ccc(OC)c([N+](=O)[O-])c2)CCC[NH2+]1 ZINC000170082392 355986099 /nfs/dbraw/zinc/98/60/99/355986099.db2.gz SFQDJBHCBMIDFM-INIZCTEOSA-N 1 0 321.377 2.094 50 5 DEBARO COc1ccc([N+](=O)[O-])cc1NC(=O)CC[NH+]1CCCCC1 ZINC000000176389 401689008 /nfs/dbraw/zinc/68/90/08/401689008.db2.gz OXTQLPABKSYWCK-UHFFFAOYSA-N 1 0 307.350 2.418 50 5 DEBARO COc1cc(NC(=O)C[NH2+]CCC(C)C)c(C)cc1[N+](=O)[O-] ZINC000008038492 401747749 /nfs/dbraw/zinc/74/77/49/401747749.db2.gz VAVIEHGRJXDTFX-UHFFFAOYSA-N 1 0 309.366 2.486 50 5 DEBARO CC(=O)n1cc([C@H](C[N+](=O)[O-])SCC[NH3+])c2ccccc21 ZINC000001871950 401711151 /nfs/dbraw/zinc/71/11/51/401711151.db2.gz MDKWQOMHWROFIK-AWEZNQCLSA-N 1 0 307.375 2.311 50 5 DEBARO CC(C)(C)c1ccc(OC[C@@H](O)C[N+]2(C)CCOCC2)cc1 ZINC000008843571 401757049 /nfs/dbraw/zinc/75/70/49/401757049.db2.gz MCMVQNMJXIAYJG-INIZCTEOSA-N 1 0 308.442 2.201 50 5 DEBARO O=[N+]([O-])c1cnn(C[C@@H](O)C[N@@H+]2CCC[C@H]2c2cccs2)c1 ZINC000076082251 401781206 /nfs/dbraw/zinc/78/12/06/401781206.db2.gz POSWYWGDPOXOEB-STQMWFEESA-N 1 0 322.390 2.051 50 5 DEBARO CN(C(=O)/C=C/c1ccc(F)cc1[N+](=O)[O-])C1CC[NH+](C)CC1 ZINC000069780041 402244113 /nfs/dbraw/zinc/24/41/13/402244113.db2.gz GIYLMNSCTSWTBF-GQCTYLIASA-N 1 0 321.352 2.300 50 5 DEBARO CNc1ccc(C[NH2+]C2CCC3(CC2)OCCO3)cc1[N+](=O)[O-] ZINC000071792531 402277363 /nfs/dbraw/zinc/27/73/63/402277363.db2.gz UVESMRLNVKSCNO-UHFFFAOYSA-N 1 0 321.377 2.412 50 5 DEBARO CS[C@@H]1CN(c2ncc(Cl)cc2[N+](=O)[O-])C[C@H]1[NH+](C)C ZINC000252517938 402657837 /nfs/dbraw/zinc/65/78/37/402657837.db2.gz VKKQEKNUJYYBPO-GHMZBOCLSA-N 1 0 316.814 2.125 50 5 DEBARO CCOc1cccc(N2CC[C@H]([NH+]3CC=CC3)C2)c1[N+](=O)[O-] ZINC000102223676 279973153 /nfs/dbraw/zinc/97/31/53/279973153.db2.gz IJDJGKWIYCSNNY-ZDUSSCGKSA-N 1 0 303.362 2.444 50 5 DEBARO C[NH+]1C[C@@]2(C)CN(c3ncc([N+](=O)[O-])cc3Cl)C[C@]2(C)C1 ZINC000863948883 686599557 /nfs/dbraw/zinc/59/95/57/686599557.db2.gz SDBPRYOXTGHKMA-KBPBESRZSA-N 1 0 310.785 2.421 50 5 DEBARO O=[N+]([O-])c1cc(F)ccc1N1CCC([NH2+]C2CCOCC2)CC1 ZINC000952994805 792856997 /nfs/dbraw/zinc/85/69/97/792856997.db2.gz UYDRSQREMQLQSD-UHFFFAOYSA-N 1 0 323.368 2.471 50 5 DEBARO CN1C=C(C(=O)NCCC[N+]2(C)CCCCC2)C=C/C1=C/N=O ZINC000038183024 354167461 /nfs/dbraw/zinc/16/74/61/354167461.db2.gz NRTGDCNSYRINDV-SSZFMOIBSA-O 1 0 319.429 2.117 50 5 DEBARO O=[N+]([O-])c1cc(Br)ccc1O[C@@H]1CCC[NH2+]C1 ZINC000042775680 183307704 /nfs/dbraw/zinc/30/77/04/183307704.db2.gz UAXRCDGDTWMWDV-SECBINFHSA-N 1 0 301.140 2.488 50 5 DEBARO O=[N+]([O-])c1ccccc1OC[C@@H](O)C[N@@H+]1C[C@@H]2CCC[C@@H]2C1 ZINC000097371906 285164572 /nfs/dbraw/zinc/16/45/72/285164572.db2.gz MITCFIKAIDGRPS-MJBXVCDLSA-N 1 0 306.362 2.066 50 5 DEBARO CC1(C)C[C@@H](O)[C@@H]([C@H](O)c2cccc([N+](=O)[O-])c2)C(C)(C)[NH2+]1 ZINC000000980120 401703432 /nfs/dbraw/zinc/70/34/32/401703432.db2.gz QELWLAXNVYAKPA-HZSPNIEDSA-N 1 0 308.378 2.156 50 5 DEBARO O=C(CC[NH2+]Cc1ccccc1[N+](=O)[O-])N1CCCCCC1 ZINC000078394202 401850039 /nfs/dbraw/zinc/85/00/39/401850039.db2.gz JVMNMCGNMWTRSJ-UHFFFAOYSA-N 1 0 305.378 2.477 50 5 DEBARO NC(=O)C[C@@H]1CCCC[N@@H+]1Cc1ccc([N+](=O)[O-])cc1Cl ZINC000097082824 402104892 /nfs/dbraw/zinc/10/48/92/402104892.db2.gz VZVUIUNKPAYWIS-NSHDSACASA-N 1 0 311.769 2.478 50 5 DEBARO Cc1nn(C)c(NCCc2cccc(C[NH+](C)C)c2)c1[N+](=O)[O-] ZINC000070040620 402256152 /nfs/dbraw/zinc/25/61/52/402256152.db2.gz SKPIGPOQBCOSGU-UHFFFAOYSA-N 1 0 317.393 2.353 50 5 DEBARO C[N+]1(C)CC[C@@H](OC(=O)[C@](O)(c2ccccc2)C2CCCC2)C1 ZINC000000896968 280177671 /nfs/dbraw/zinc/17/76/71/280177671.db2.gz ANGKOCUUWGHLCE-MJGOQNOKSA-N 1 0 318.437 2.456 50 5 fda DEBARO Cc1cc(N(CC[NH+](C)C)Cc2ccccn2)ncc1[N+](=O)[O-] ZINC000095429759 185362489 /nfs/dbraw/zinc/36/24/89/185362489.db2.gz ZSKJUYJUBUPTDN-UHFFFAOYSA-N 1 0 315.377 2.261 50 5 DEBARO Fc1ccc2scc(C[N+]34CN5CN(CN(C5)C3)C4)c2c1 ZINC000019323804 283012227 /nfs/dbraw/zinc/01/22/27/283012227.db2.gz NRFOGJQKQZJIPW-UHFFFAOYSA-N 1 0 305.402 2.049 50 5 DEBARO CC(C)[NH+](CCNc1ccc(C(N)=O)cc1[N+](=O)[O-])C(C)C ZINC000006822707 181395750 /nfs/dbraw/zinc/39/57/50/181395750.db2.gz ZEBRVIZIWSUEHB-UHFFFAOYSA-N 1 0 308.382 2.224 50 5 DEBARO C[C@H](CNC(=O)Cc1ccccc1[N+](=O)[O-])[N@@H+]1CCC[C@@H](C)C1 ZINC000106078666 194183945 /nfs/dbraw/zinc/18/39/45/194183945.db2.gz MNYRYKZVTXVSJD-ZIAGYGMSSA-N 1 0 319.405 2.374 50 5 DEBARO O=[N+]([O-])c1ccccc1OC[C@H](O)C[NH+]1C[C@H]2CCC[C@@H]2C1 ZINC000097371907 285165085 /nfs/dbraw/zinc/16/50/85/285165085.db2.gz MITCFIKAIDGRPS-MGPQQGTHSA-N 1 0 306.362 2.066 50 5 DEBARO CC[N+]1(C[C@H](O)CO[C@@H]2C[C@@H](C)CC(C)(C)C2)CCOCC1 ZINC000013307047 401798735 /nfs/dbraw/zinc/79/87/35/401798735.db2.gz LDHSDHWSXOQHLI-IXDOHACOSA-N 1 0 314.490 2.446 50 5 DEBARO C[C@@H]1CC[C@H]2[C@@H](C[N+](C)(C)C)C(=O)O[C@@]23[C@@H]2O[C@]2(C)CC[C@@H]13 ZINC000012865831 401792872 /nfs/dbraw/zinc/79/28/72/401792872.db2.gz SNGWWISTWVXYJT-REMDBXRQSA-N 1 0 308.442 2.218 50 5 biogenic DEBARO Cn1cnc([N+](=O)[O-])c1N[C@@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000029588963 401857730 /nfs/dbraw/zinc/85/77/30/401857730.db2.gz CUDONHKZCXOGIT-CQSZACIVSA-N 1 0 315.377 2.405 50 5 DEBARO Cc1cc(NC(=O)N2CC[C@H]([NH+]3CC=CC3)C2)ccc1[N+](=O)[O-] ZINC000102022540 402161438 /nfs/dbraw/zinc/16/14/38/402161438.db2.gz XYJSDOXPNUCXNL-AWEZNQCLSA-N 1 0 316.361 2.381 50 5 DEBARO CC1(C)CC(=O)[C@H]([C@H](O)c2ccc([N+](=O)[O-])cc2)C(C)(C)[NH2+]1 ZINC000004785679 278185840 /nfs/dbraw/zinc/18/58/40/278185840.db2.gz JILSLUDMEKLBRA-ZIAGYGMSSA-N 1 0 306.362 2.364 50 5 DEBARO CC[NH+]1CCC(CCNC(=O)c2cccc([N+](=O)[O-])c2)CC1 ZINC000072297555 191113307 /nfs/dbraw/zinc/11/33/07/191113307.db2.gz SRDBQPLUCISFGG-UHFFFAOYSA-N 1 0 305.378 2.447 50 5 DEBARO COc1ccc(NC(=O)NCC(C)(C)[NH+](C)C)c([N+](=O)[O-])c1 ZINC000040497851 183081915 /nfs/dbraw/zinc/08/19/15/183081915.db2.gz DGCSGSIYMXIGBA-UHFFFAOYSA-N 1 0 310.354 2.065 50 5 DEBARO C[C@H](c1cccc([N+](=O)[O-])c1)[N@@H+]1CCC[C@@H](C(=O)N(C)C)C1 ZINC000106163602 194190309 /nfs/dbraw/zinc/19/03/09/194190309.db2.gz LERLPENLESAIQV-TZMCWYRMSA-N 1 0 305.378 2.456 50 5 DEBARO CC(C)(C)[N@@H+]1CCCN(C(=O)Cc2ccccc2[N+](=O)[O-])CC1 ZINC000063726265 184286616 /nfs/dbraw/zinc/28/66/16/184286616.db2.gz CXNRHHIMLWYJBT-UHFFFAOYSA-N 1 0 319.405 2.470 50 5 DEBARO Cn1cnc([N+](=O)[O-])c1N[C@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000029588964 401857299 /nfs/dbraw/zinc/85/72/99/401857299.db2.gz CUDONHKZCXOGIT-AWEZNQCLSA-N 1 0 315.377 2.405 50 5 DEBARO C[C@@H]1CCC[N@H+](CCCCNC(=O)c2ccc([N+](=O)[O-])o2)C1 ZINC000046990424 401977544 /nfs/dbraw/zinc/97/75/44/401977544.db2.gz LEJTVJUVEXCBKG-GFCCVEGCSA-N 1 0 309.366 2.430 50 5 DEBARO C[C@H]([NH2+]CC1(N(C)C)CCOCC1)c1ccc([N+](=O)[O-])cc1 ZINC000095968019 402038384 /nfs/dbraw/zinc/03/83/84/402038384.db2.gz TUXYRYWGASJYIK-ZDUSSCGKSA-N 1 0 307.394 2.356 50 5 DEBARO CC1(C)C[C@@H](O)[C@H]([C@H](O)c2cccc([N+](=O)[O-])c2)C(C)(C)[NH2+]1 ZINC000004154624 181079081 /nfs/dbraw/zinc/07/90/81/181079081.db2.gz QELWLAXNVYAKPA-MGPQQGTHSA-N 1 0 308.378 2.156 50 5 DEBARO COC(=O)CCCCCCCC[C@H](O)C[N+]1(C)CCOCC1 ZINC000005253982 181222320 /nfs/dbraw/zinc/22/23/20/181222320.db2.gz UZVSSGIULGHDLK-INIZCTEOSA-N 1 0 316.462 2.118 50 5 DEBARO CC1(C)C[C@H](O)[C@@H]([C@@H](O)c2cccc([N+](=O)[O-])c2)C(C)(C)[NH2+]1 ZINC000013143604 181833543 /nfs/dbraw/zinc/83/35/43/181833543.db2.gz QELWLAXNVYAKPA-IHRRRGAJSA-N 1 0 308.378 2.156 50 5 DEBARO CC(C)C[N@@H+]1CC[C@@]2(O)Oc3ccc([N+](=O)[O-])cc3C=C2C1 ZINC000004863272 401727489 /nfs/dbraw/zinc/72/74/89/401727489.db2.gz PAFPXGOUKLXZBO-MRXNPFEDSA-N 1 0 304.346 2.421 50 5 DEBARO C[N+]12CCC(CC1)[C@H](OCCCNC(=O)c1ccccc1)C2 ZINC000002329215 401713415 /nfs/dbraw/zinc/71/34/15/401713415.db2.gz RFCKZYJQEZHYST-RYZJOYRSSA-O 1 0 303.426 2.062 50 5 DEBARO C[C@@H]1CC[C@@H]2[C@H](C[N+](C)(C)C)C(=O)O[C@@]23[C@@H]2O[C@]2(C)CC[C@H]13 ZINC000009411203 401762191 /nfs/dbraw/zinc/76/21/91/401762191.db2.gz SNGWWISTWVXYJT-YDXRFITGSA-N 1 0 308.442 2.218 50 5 DEBARO O=[N+]([O-])c1cccnc1NC1CC[NH+](Cc2ccncc2)CC1 ZINC000052447780 402042215 /nfs/dbraw/zinc/04/22/15/402042215.db2.gz RRYLTNLJKPRHKS-UHFFFAOYSA-N 1 0 313.361 2.461 50 5 DEBARO C[C@@H]1COC2(CC[NH+](CCc3ccc([N+](=O)[O-])cc3)CC2)O1 ZINC000096414907 402081139 /nfs/dbraw/zinc/08/11/39/402081139.db2.gz LGUAFJNEGXOFFH-CYBMUJFWSA-N 1 0 306.362 2.365 50 5 DEBARO COc1cc(C(=O)N[C@H]2CC[C@@H]([NH+](C)C)C2)cc([N+](=O)[O-])c1C ZINC000195579915 402273798 /nfs/dbraw/zinc/27/37/98/402273798.db2.gz NABSZIMXRUKSLC-QWHCGFSZSA-N 1 0 321.377 2.124 50 5 DEBARO CC(C)[N@@H+]1CC[C@@H](NC(=O)/C=C\c2ccccc2[N+](=O)[O-])C1 ZINC000229560076 402344064 /nfs/dbraw/zinc/34/40/64/402344064.db2.gz JUPVXMVXLDRUFZ-WBTMPAOCSA-N 1 0 303.362 2.207 50 5 DEBARO O=[N+]([O-])c1ccccc1OC[C@H](O)C[NH+]1C[C@@H]2CCC[C@H]2C1 ZINC000248457516 402591726 /nfs/dbraw/zinc/59/17/26/402591726.db2.gz MITCFIKAIDGRPS-MELADBBJSA-N 1 0 306.362 2.066 50 5 DEBARO O=[N+]([O-])c1ccc(N2CC[NH2+]CC2)cc1N1CCCCCC1 ZINC000004740955 275036655 /nfs/dbraw/zinc/03/66/55/275036655.db2.gz SXABAOBUANMHHV-UHFFFAOYSA-N 1 0 304.394 2.385 50 5 DEBARO CN(CC[C@@H]1CCCC[N@@H+]1C)C(=O)Cc1ccc([N+](=O)[O-])cc1 ZINC000072297697 191112918 /nfs/dbraw/zinc/11/29/18/191112918.db2.gz MFMYLNUMXVQCMT-HNNXBMFYSA-N 1 0 319.405 2.470 50 5 DEBARO COCc1cc([N+](=O)[O-])ccc1N1CC[NH+](CC2CC2)CC1 ZINC000078876160 191938589 /nfs/dbraw/zinc/93/85/89/191938589.db2.gz KRBMAJRHNMYJNX-UHFFFAOYSA-N 1 0 305.378 2.273 50 5 DEBARO CCCCOC[C@H](O)C[N+]1(Cc2ccccc2)CCOCC1 ZINC000017270618 182081133 /nfs/dbraw/zinc/08/11/33/182081133.db2.gz OAEQMBZAPBHBGH-GOSISDBHSA-N 1 0 308.442 2.211 50 5 DEBARO COC(=O)c1ccc([N+](=O)[O-])c(NC[C@@H]2CCC[N@H+](C)C2)c1 ZINC000096007374 402046264 /nfs/dbraw/zinc/04/62/64/402046264.db2.gz LLSQLTNLGFHIGN-NSHDSACASA-N 1 0 307.350 2.135 50 5 DEBARO CN(Cc1ccccc1[N+](=O)[O-])C(=O)[C@@H]1CCCCC[C@@H]1[NH3+] ZINC000096461353 402092174 /nfs/dbraw/zinc/09/21/74/402092174.db2.gz XFUNPXPJAGYWHA-KGLIPLIRSA-N 1 0 305.378 2.461 50 5 DEBARO O=C(/C=C\c1cccc([N+](=O)[O-])c1)NCCCCn1ccnc1 ZINC000098010008 402133660 /nfs/dbraw/zinc/13/36/60/402133660.db2.gz CFMSJMFOBTVYQA-SREVYHEPSA-N 1 0 314.345 2.401 50 5 DEBARO O=C(c1ccccc1[N+](=O)[O-])N1CCC[C@H]([NH+]2CCCC2)C1 ZINC000069872446 402248572 /nfs/dbraw/zinc/24/85/72/402248572.db2.gz OMHZFRSATWMOHF-ZDUSSCGKSA-N 1 0 303.362 2.295 50 5 DEBARO Cc1ccnc(NC2CC[NH+](C3CCOCC3)CC2)c1[N+](=O)[O-] ZINC000585092837 405865837 /nfs/dbraw/zinc/86/58/37/405865837.db2.gz PVXCTGGKHYBEAG-UHFFFAOYSA-N 1 0 320.393 2.354 50 5 DEBARO COc1cc(CN(C)C2CC[NH+](C)CC2)c([N+](=O)[O-])cc1OC ZINC000022591615 182327548 /nfs/dbraw/zinc/32/75/48/182327548.db2.gz VRTTUTPPHDBJFL-UHFFFAOYSA-N 1 0 323.393 2.138 50 5 DEBARO [NH2+]=C1Nc2nc3ccccc3n2[C@@H](c2cccc([N+](=O)[O-])c2)N1 ZINC000003177735 401722666 /nfs/dbraw/zinc/72/26/66/401722666.db2.gz MKPGPLNWEGNLML-ZDUSSCGKSA-N 1 0 308.301 2.041 50 5 DEBARO CC(C)COc1ccc(C(=O)OCC[N+]2(C)CCOCC2)cc1 ZINC000000215739 401691373 /nfs/dbraw/zinc/69/13/73/401691373.db2.gz PSCPZCBKZAAYDQ-UHFFFAOYSA-N 1 0 322.425 2.355 50 5 DEBARO CC[N+](CC)(CC)C[C@H](O)Cn1c(=O)sc2ccccc21 ZINC000000405487 401696659 /nfs/dbraw/zinc/69/66/59/401696659.db2.gz PYYYWBHWIQXCOR-CYBMUJFWSA-N 1 0 309.455 2.300 50 5 DEBARO O=[N+]([O-])c1ccc(N[C@@H]2CC[N@H+](CCc3ccccn3)C2)nc1 ZINC000096443414 402088121 /nfs/dbraw/zinc/08/81/21/402088121.db2.gz BSTMIUYPNMBMNI-CQSZACIVSA-N 1 0 313.361 2.114 50 5 DEBARO O=C(Cc1ccc([N+](=O)[O-])cc1)N1CCC[C@@H]([NH+]2CCCC2)C1 ZINC000069897521 402249473 /nfs/dbraw/zinc/24/94/73/402249473.db2.gz ZDGNJPXRKQXHLI-MRXNPFEDSA-N 1 0 317.389 2.224 50 5 DEBARO CCN(CC)C(=O)[C@H]1CCC[N@H+](Cc2ccc([N+](=O)[O-])o2)C1 ZINC000004977642 353993698 /nfs/dbraw/zinc/99/36/98/353993698.db2.gz GBIAKXKXELRQKI-LBPRGKRZSA-N 1 0 309.366 2.268 50 5 DEBARO CC[NH+](CC)CCNc1c([N+](=O)[O-])ccc(OC)c1[N+](=O)[O-] ZINC000004709092 181140349 /nfs/dbraw/zinc/14/03/49/181140349.db2.gz MKYSLJDNGQDUPH-UHFFFAOYSA-N 1 0 312.326 2.265 50 5 DEBARO Cc1c(C[N@@H+]2CC[C@H](CN3CCOCC3)C2)cccc1[N+](=O)[O-] ZINC000096424606 402083578 /nfs/dbraw/zinc/08/35/78/402083578.db2.gz WUGDHHXPXUSOFV-OAHLLOKOSA-N 1 0 319.405 2.057 50 5 DEBARO O=[N+]([O-])c1ccc(N2CCC[C@@H](C[NH+]3CCOCC3)C2)cc1 ZINC000076063045 275036297 /nfs/dbraw/zinc/03/62/97/275036297.db2.gz DKYYUDQKLWKWNG-AWEZNQCLSA-N 1 0 305.378 2.143 50 5 DEBARO CCOC(=O)CC1(C[N+](=O)[O-])CC[NH+](Cc2ccccc2)CC1 ZINC000034093023 354161011 /nfs/dbraw/zinc/16/10/11/354161011.db2.gz HQJUZODKTPHDAG-UHFFFAOYSA-N 1 0 320.389 2.499 50 5 DEBARO CN1C=C(C(=O)NCCC[N+]2(C)CCCCC2)C=C/C1=C\N=O ZINC000136030472 355867303 /nfs/dbraw/zinc/86/73/03/355867303.db2.gz NRTGDCNSYRINDV-DTQAZKPQSA-O 1 0 319.429 2.117 50 5 DEBARO Cc1c(F)cc(C(=O)N[C@@H]2CC[N@@H+](C3CC3)C2)cc1[N+](=O)[O-] ZINC000063114405 184271517 /nfs/dbraw/zinc/27/15/17/184271517.db2.gz QPTPQLFKXZMJIB-LLVKDONJSA-N 1 0 307.325 2.009 50 5 DEBARO CN(CC[N@H+](C)C1CC1)C(=O)c1cccc([N+](=O)[O-])c1Cl ZINC000521394397 257241561 /nfs/dbraw/zinc/24/15/61/257241561.db2.gz YHNJFYJDLNXEBX-UHFFFAOYSA-N 1 0 311.769 2.414 50 5 DEBARO C[N@@H+]1CCCC[C@H]1CN1CCN(c2ccccc2[N+](=O)[O-])CC1 ZINC000069563072 402231083 /nfs/dbraw/zinc/23/10/83/402231083.db2.gz UMJXSIGWEOSLPW-HNNXBMFYSA-N 1 0 318.421 2.201 50 5 DEBARO C[N@H+](CCn1ccc(=O)c([N+](=O)[O-])c1)Cc1ccc(F)cc1 ZINC000170595453 402505839 /nfs/dbraw/zinc/50/58/39/402505839.db2.gz FSXRBGGYXUIEJR-UHFFFAOYSA-N 1 0 305.309 2.028 50 5 DEBARO O=[N+]([O-])c1cnc(NC[C@H]2CCC[NH2+]C2)c(Br)c1 ZINC000093434278 193250448 /nfs/dbraw/zinc/25/04/48/193250448.db2.gz IEWUDKFLEULYHB-QMMMGPOBSA-N 1 0 315.171 2.164 50 5 DEBARO O=[N+]([O-])c1cc(Br)ccc1O[C@H]1CCC[NH2+]C1 ZINC000042775684 183307981 /nfs/dbraw/zinc/30/79/81/183307981.db2.gz UAXRCDGDTWMWDV-VIFPVBQESA-N 1 0 301.140 2.488 50 5 DEBARO CC[N@@H+]1C[C@@H](C)N(CCOc2ccc([N+](=O)[O-])cc2)C[C@@H]1C ZINC000346203173 146037513 /nfs/dbraw/zinc/03/75/13/146037513.db2.gz YTHOIIPGBNTNIS-UONOGXRCSA-N 1 0 307.394 2.388 50 5 DEBARO COC(=O)c1ccc([N+](=O)[O-])c(NC[C@H]2CCC[N@H+](C)C2)c1 ZINC000096007373 402046502 /nfs/dbraw/zinc/04/65/02/402046502.db2.gz LLSQLTNLGFHIGN-LLVKDONJSA-N 1 0 307.350 2.135 50 5 DEBARO CC(C)[N@@H+]1CC[C@@H](NC(=O)/C=C/c2ccccc2[N+](=O)[O-])C1 ZINC000069596343 402233964 /nfs/dbraw/zinc/23/39/64/402233964.db2.gz JUPVXMVXLDRUFZ-HSBSLETESA-N 1 0 303.362 2.207 50 5 DEBARO C[C@@H]1OCC[C@@]12C[N@H+](CCc1ccc([N+](=O)[O-])cc1)CCO2 ZINC000280641902 403022368 /nfs/dbraw/zinc/02/23/68/403022368.db2.gz ZNUGASLXMUNUFI-XJKSGUPXSA-N 1 0 306.362 2.017 50 5 DEBARO O=c1oc2ccccc2c(NCC[NH+]2CCCC2)c1[N+](=O)[O-] ZINC000004866389 275044421 /nfs/dbraw/zinc/04/44/21/275044421.db2.gz VQWQYFKQPDSZCQ-UHFFFAOYSA-N 1 0 303.318 2.209 50 5 DEBARO CC[N@@+]1(C)[C@@H]2CC[C@H]1C[C@H](OC(=O)[C@H](CO)c1ccccc1)C2 ZINC000252460685 529445507 /nfs/dbraw/zinc/44/55/07/529445507.db2.gz HKFMCZVBOTVKDM-LYYGHALDSA-N 1 0 318.437 2.466 50 5 biogenic DEBARO Cc1cc(N)nc(SCC(=O)Nc2ccc([N+](=O)[O-])cc2)n1 ZINC000022089241 182308142 /nfs/dbraw/zinc/30/81/42/182308142.db2.gz NODANNWOFJYIGV-UHFFFAOYSA-N 1 0 319.346 2.006 50 5 DEBARO Cc1cc(C(=O)N[C@@H]2CC[N@@H+]3CCCC[C@H]23)ccc1[N+](=O)[O-] ZINC000047226758 401980110 /nfs/dbraw/zinc/98/01/10/401980110.db2.gz RPCQENURCKNZOD-UKRRQHHQSA-N 1 0 303.362 2.260 50 5 DEBARO C[C@H]([NH2+]CCCn1cccn1)c1cc2c(cc1[N+](=O)[O-])OCO2 ZINC000095419822 402032659 /nfs/dbraw/zinc/03/26/59/402032659.db2.gz VQZCZVRVGDEKKT-NSHDSACASA-N 1 0 318.333 2.261 50 5 DEBARO C[N@H+](CCn1cccc([N+](=O)[O-])c1=O)Cc1ccc(F)cc1 ZINC000097377151 402123635 /nfs/dbraw/zinc/12/36/35/402123635.db2.gz MDSAPKMZLCIEGI-UHFFFAOYSA-N 1 0 305.309 2.028 50 5 DEBARO O=C(/C=C\c1cccc([N+](=O)[O-])c1)NC[C@@H]1CC[N@@H+](C2CC2)C1 ZINC000104101999 402197780 /nfs/dbraw/zinc/19/77/80/402197780.db2.gz VYZSBLMRESQRAZ-ZBKLQPJUSA-N 1 0 315.373 2.209 50 5 DEBARO CC[C@@H](C)[N@H+](C)CCNC(=O)N1CCc2cc([N+](=O)[O-])ccc21 ZINC000225384155 424885566 /nfs/dbraw/zinc/88/55/66/424885566.db2.gz PEXDYOCYQZOEFL-GFCCVEGCSA-N 1 0 320.393 2.397 50 5 DEBARO CC[N@@+]1(C)[C@@H]2CC[C@H]1C[C@@H](OC(=O)[C@@H](CO)c1ccccc1)C2 ZINC000252460684 529445464 /nfs/dbraw/zinc/44/54/64/529445464.db2.gz HKFMCZVBOTVKDM-ILRSOXBSSA-N 1 0 318.437 2.466 50 5 biogenic DEBARO C[C@@H]([NH2+]CCCn1cccn1)c1cc2c(cc1[N+](=O)[O-])OCO2 ZINC000095419823 185360170 /nfs/dbraw/zinc/36/01/70/185360170.db2.gz VQZCZVRVGDEKKT-LLVKDONJSA-N 1 0 318.333 2.261 50 5 DEBARO CCn1c2ccccc2c(NCCC[NH+](C)C)c([N+](=O)[O-])c1=O ZINC000004833692 181159351 /nfs/dbraw/zinc/15/93/51/181159351.db2.gz XNVPTRMAAKVIDD-UHFFFAOYSA-N 1 0 318.377 2.293 50 5 DEBARO Cc1cc(C(=O)N[C@H]2CC[N@@H+]3CCCC[C@H]23)ccc1[N+](=O)[O-] ZINC000047226759 183584423 /nfs/dbraw/zinc/58/44/23/183584423.db2.gz RPCQENURCKNZOD-DZGCQCFKSA-N 1 0 303.362 2.260 50 5 DEBARO C[C@@H]1C[C@@H](OC[C@@H](O)C[N+]2(C)CCOCC2)CC(C)(C)C1 ZINC000013306586 401798778 /nfs/dbraw/zinc/79/87/78/401798778.db2.gz FDQUJFFWDKRYJR-OWCLPIDISA-N 1 0 300.463 2.056 50 5 DEBARO C[C@@H](C1CC1)[N@H+](C)CC(=O)N1CCc2cc([N+](=O)[O-])ccc21 ZINC000078723322 401863490 /nfs/dbraw/zinc/86/34/90/401863490.db2.gz AITKGEDEWDUMQC-NSHDSACASA-N 1 0 303.362 2.214 50 5 DEBARO Cc1[nH+]c(CNC(=O)c2cccc([N+](=O)[O-])c2)c2ccccn12 ZINC000089708982 401958550 /nfs/dbraw/zinc/95/85/50/401958550.db2.gz QHWXEJYZFZFJIM-UHFFFAOYSA-N 1 0 310.313 2.481 50 5 DEBARO CS[C@H]1CN(c2ncc(Cl)cc2[N+](=O)[O-])C[C@H]1[NH+](C)C ZINC000089314152 401942291 /nfs/dbraw/zinc/94/22/91/401942291.db2.gz VKKQEKNUJYYBPO-MNOVXSKESA-N 1 0 316.814 2.125 50 5 DEBARO Cc1cccc(N2CCC[C@@H](C[NH+]3CCOCC3)C2)c1[N+](=O)[O-] ZINC000225459143 281225905 /nfs/dbraw/zinc/22/59/05/281225905.db2.gz LQNWTRBRGMNLPD-HNNXBMFYSA-N 1 0 319.405 2.452 50 5 DEBARO O=C([C@@H]1CCC[N@@H+](Cc2cccc([N+](=O)[O-])c2)C1)N1CCCC1 ZINC000004746224 181146711 /nfs/dbraw/zinc/14/67/11/181146711.db2.gz GQBUOBMECVJKKK-OAHLLOKOSA-N 1 0 317.389 2.429 50 5 DEBARO Cc1cc(N2CCC[C@@H](C[N@@H+]3CC[C@@H](O)C3)C2)ccc1[N+](=O)[O-] ZINC000585132814 357336159 /nfs/dbraw/zinc/33/61/59/357336159.db2.gz XFTNYKVZIQMDPQ-GOEBONIOSA-N 1 0 319.405 2.186 50 5 DEBARO O=C(OCC[NH+]1CCCCC1)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1 ZINC000001314498 401705380 /nfs/dbraw/zinc/70/53/80/401705380.db2.gz FDUSFVWXBBJJQW-UHFFFAOYSA-N 1 0 323.305 2.146 50 5 DEBARO CS[C@H]1CCC[C@H]1[N@H+](C)Cc1ccc(C(N)=O)cc1[N+](=O)[O-] ZINC000072896427 401713693 /nfs/dbraw/zinc/71/36/93/401713693.db2.gz WPKPBRVICVSWIX-OCCSQVGLSA-N 1 0 323.418 2.410 50 5 DEBARO CC[N+]1(C[C@H](O)CO[C@H]2C[C@@H](C)CC(C)(C)C2)CCOCC1 ZINC000013307053 401798904 /nfs/dbraw/zinc/79/89/04/401798904.db2.gz LDHSDHWSXOQHLI-IKGGRYGDSA-N 1 0 314.490 2.446 50 5 DEBARO Cc1cnc(NCC2([NH+]3CCCC3)CCOCC2)c([N+](=O)[O-])c1 ZINC000078660003 401860852 /nfs/dbraw/zinc/86/08/52/401860852.db2.gz ZBPCVRHGHQTFRT-UHFFFAOYSA-N 1 0 320.393 2.355 50 5 DEBARO O=[N+]([O-])c1cnn(C[C@@H](O)C[N@@H+]2CCC[C@H]2c2ccsc2)c1 ZINC000096435726 402086394 /nfs/dbraw/zinc/08/63/94/402086394.db2.gz AVZYDHOLDVPDTN-KBPBESRZSA-N 1 0 322.390 2.051 50 5 DEBARO COc1cccc(C(=O)N[C@H](C)C(C)(C)C[NH+](C)C)c1[N+](=O)[O-] ZINC000192621473 402741174 /nfs/dbraw/zinc/74/11/74/402741174.db2.gz IRLXUMOJFKDCHA-LLVKDONJSA-N 1 0 323.393 2.310 50 5 DEBARO O=[N+]([O-])c1ccc(OC2CC[NH+](CCn3ccnc3)CC2)cc1 ZINC000131528576 196176990 /nfs/dbraw/zinc/17/69/90/196176990.db2.gz RTCIOUBWJJHLFT-UHFFFAOYSA-N 1 0 316.361 2.335 50 5 DEBARO C[C@@H](NC(=O)N(C)C[C@H]1CC[N@H+](C)C1)c1cccc([N+](=O)[O-])c1 ZINC000078757815 355277293 /nfs/dbraw/zinc/27/72/93/355277293.db2.gz REFQDNMXDGDGLV-OLZOCXBDSA-N 1 0 320.393 2.249 50 5 DEBARO COC(=O)CCCCCCCC[C@@H](O)C[N+]1(C)CCOCC1 ZINC000005253979 181222435 /nfs/dbraw/zinc/22/24/35/181222435.db2.gz UZVSSGIULGHDLK-MRXNPFEDSA-N 1 0 316.462 2.118 50 5 DEBARO O=C(NCC[NH2+]Cc1ccccc1[N+](=O)[O-])C1CCCCC1 ZINC000078394176 401849805 /nfs/dbraw/zinc/84/98/05/401849805.db2.gz LNFHFBYEHPVQBQ-UHFFFAOYSA-N 1 0 305.378 2.381 50 5 DEBARO CC[N@@H+]1CCC[C@@H]1CNC(=O)Nc1ccc(OC)cc1[N+](=O)[O-] ZINC000032895431 401885447 /nfs/dbraw/zinc/88/54/47/401885447.db2.gz JPKKOMQEHWUDCY-LLVKDONJSA-N 1 0 322.365 2.209 50 5 DEBARO COc1cc([N+](=O)[O-])ccc1NC(=O)N[C@H](C)CC[NH+](C)C ZINC000095945713 402035853 /nfs/dbraw/zinc/03/58/53/402035853.db2.gz IBDQCPDUGSPWQI-SNVBAGLBSA-N 1 0 310.354 2.065 50 5 DEBARO O=[N+]([O-])c1ccc(N2CC[N@@H+]3CCCC[C@@H]3C2)c([N+](=O)[O-])c1 ZINC000032823949 275036688 /nfs/dbraw/zinc/03/66/88/275036688.db2.gz RVYFEWBATUZWFO-GFCCVEGCSA-N 1 0 306.322 2.178 50 5 DEBARO Cc1cccc(N2CCC[C@H](C[NH+]3CCOCC3)C2)c1[N+](=O)[O-] ZINC000225459113 281226736 /nfs/dbraw/zinc/22/67/36/281226736.db2.gz LQNWTRBRGMNLPD-OAHLLOKOSA-N 1 0 319.405 2.452 50 5 DEBARO COc1cccc(N2C[C@H](SC)[C@@H]([NH+](C)C)C2)c1[N+](=O)[O-] ZINC000274699153 295306995 /nfs/dbraw/zinc/30/69/95/295306995.db2.gz PDNNHVULRJRRHG-AAEUAGOBSA-N 1 0 311.407 2.085 50 5 DEBARO NC(=O)c1cc([N+](=O)[O-])ccc1N[C@H]1CC[N@@H+](C2CCCC2)C1 ZINC000084351059 539395034 /nfs/dbraw/zinc/39/50/34/539395034.db2.gz IRHZSPCFSXPYBE-NSHDSACASA-N 1 0 318.377 2.123 50 5 DEBARO C[C@H]([NH2+]CC1CCS(=O)(=O)CC1)c1ccc([N+](=O)[O-])cc1 ZINC000090883038 539418293 /nfs/dbraw/zinc/41/82/93/539418293.db2.gz HWURWBLDWDXOGZ-NSHDSACASA-N 1 0 312.391 2.070 50 5 DEBARO CC[C@H](C[NH+]1CCCC1)Nc1ccc(C(=O)NC)cc1[N+](=O)[O-] ZINC000072289215 354899757 /nfs/dbraw/zinc/89/97/57/354899757.db2.gz WGSVCHBOXQBCCQ-CYBMUJFWSA-N 1 0 320.393 2.241 50 5 DEBARO O=C(NCC[NH2+]Cc1ccccc1[N+](=O)[O-])c1cccs1 ZINC000013839448 283960218 /nfs/dbraw/zinc/96/02/18/283960218.db2.gz ORBMEHXQSSUGNI-UHFFFAOYSA-N 1 0 305.359 2.176 50 5 DEBARO O=[N+]([O-])c1cnc(NC[C@@H]2CCC[NH2+]C2)c(Br)c1 ZINC000093434277 193250771 /nfs/dbraw/zinc/25/07/71/193250771.db2.gz IEWUDKFLEULYHB-MRVPVSSYSA-N 1 0 315.171 2.164 50 5 DEBARO C[C@@H](Sc1ccc([N+](=O)[O-])cc1)C(=O)NC1CC[NH+](C)CC1 ZINC000023110404 182347741 /nfs/dbraw/zinc/34/77/41/182347741.db2.gz VSHIWVLRKDMBTQ-LLVKDONJSA-N 1 0 323.418 2.286 50 5 DEBARO O=[N+]([O-])c1ccsc1N1CCC[N@@H+](C2CCOCC2)CC1 ZINC000096492819 285170355 /nfs/dbraw/zinc/17/03/55/285170355.db2.gz JFVMPLCZNKZEBL-UHFFFAOYSA-N 1 0 311.407 2.347 50 5 DEBARO O=[N+]([O-])c1ccc(NCC2([NH+]3CCOCC3)CCCCC2)nc1 ZINC000012999961 401795227 /nfs/dbraw/zinc/79/52/27/401795227.db2.gz RYRUSBJBKWDOFC-UHFFFAOYSA-N 1 0 320.393 2.437 50 5 DEBARO O=[N+]([O-])c1cccnc1NC1CC[NH+](Cc2ccccn2)CC1 ZINC000048300489 401997517 /nfs/dbraw/zinc/99/75/17/401997517.db2.gz UHFVXIBQLUTMIN-UHFFFAOYSA-N 1 0 313.361 2.461 50 5 DEBARO CS[C@@H]1CN(c2ncc(Cl)cc2[N+](=O)[O-])C[C@@H]1[NH+](C)C ZINC000107539573 402234706 /nfs/dbraw/zinc/23/47/06/402234706.db2.gz VKKQEKNUJYYBPO-WDEREUQCSA-N 1 0 316.814 2.125 50 5 DEBARO Cc1cc(C(=O)N[C@H]2C[N@H+](C(C)C)C[C@H]2C)cc([N+](=O)[O-])c1 ZINC000247527147 524155395 /nfs/dbraw/zinc/15/53/95/524155395.db2.gz ZNGCZULONJUESG-DOMZBBRYSA-N 1 0 305.378 2.362 50 5 DEBARO C[C@@H]1C[C@@H](OC[C@H](O)C[N+]2(C)CCOCC2)CC(C)(C)C1 ZINC000005447218 190621024 /nfs/dbraw/zinc/62/10/24/190621024.db2.gz FDQUJFFWDKRYJR-BZUAXINKSA-N 1 0 300.463 2.056 50 5 DEBARO C[C@H](NC(=O)Nc1cccc([N+](=O)[O-])c1)C1CC[NH+](C)CC1 ZINC000072285578 354900144 /nfs/dbraw/zinc/90/01/44/354900144.db2.gz KIEGMUZZCLPWFL-NSHDSACASA-N 1 0 306.366 2.447 50 5 DEBARO Cc1cc(N2CCC[C@@H](C[N@@H+]3CC[C@H](O)C3)C2)ccc1[N+](=O)[O-] ZINC000585132815 357336310 /nfs/dbraw/zinc/33/63/10/357336310.db2.gz XFTNYKVZIQMDPQ-HOCLYGCPSA-N 1 0 319.405 2.186 50 5 DEBARO CCC[NH+]1CCC(NCc2cc3c(cc2[N+](=O)[O-])OCO3)CC1 ZINC000061016352 184159766 /nfs/dbraw/zinc/15/97/66/184159766.db2.gz VPEMFOHYTOMHFE-UHFFFAOYSA-N 1 0 321.377 2.288 50 5 DEBARO C[N+]12CCC(CC1)[C@@H](OCCCNC(=O)c1ccccc1)C2 ZINC000002329217 401713448 /nfs/dbraw/zinc/71/34/48/401713448.db2.gz RFCKZYJQEZHYST-CMVHYPBASA-O 1 0 303.426 2.062 50 5 DEBARO Cc1cc(N2CCC[C@@H](C[NH+]3CCOCC3)C2)ccc1[N+](=O)[O-] ZINC000096429478 402084502 /nfs/dbraw/zinc/08/45/02/402084502.db2.gz JGBNXFJUNKOBQZ-HNNXBMFYSA-N 1 0 319.405 2.452 50 5 DEBARO Cc1cc([N+](=O)[O-])cn(CC[N@@H+](C)Cc2ccc(F)cc2)c1=O ZINC000097377160 402123619 /nfs/dbraw/zinc/12/36/19/402123619.db2.gz VYCRMPNXDNUMCV-UHFFFAOYSA-N 1 0 319.336 2.336 50 5 DEBARO O=[N+]([O-])c1cc(Br)ccc1OC[C@@H]1CC[NH2+]C1 ZINC000042771390 275032876 /nfs/dbraw/zinc/03/28/76/275032876.db2.gz KQIGLTKSTLEZIW-MRVPVSSYSA-N 1 0 301.140 2.346 50 5 DEBARO CNC(=O)c1ccc(N[C@H](C)C(C)(C)C[NH+](C)C)c([N+](=O)[O-])c1 ZINC000072296160 191111505 /nfs/dbraw/zinc/11/15/05/191111505.db2.gz QPNZBAXPITVGSH-LLVKDONJSA-N 1 0 322.409 2.343 50 5 DEBARO O=[N+]([O-])c1ccc(N[C@H]2CC[N@H+](C[C@H]3CCCCO3)C2)nc1 ZINC000252677544 402660722 /nfs/dbraw/zinc/66/07/22/402660722.db2.gz ZBWKJWYVYWUYMR-GXTWGEPZSA-N 1 0 306.366 2.045 50 5 DEBARO C[C@@H]1OCC[C@]12C[N@H+](CCc1ccc([N+](=O)[O-])cc1)CCO2 ZINC000280641884 403022417 /nfs/dbraw/zinc/02/24/17/403022417.db2.gz ZNUGASLXMUNUFI-BBRMVZONSA-N 1 0 306.362 2.017 50 5 DEBARO Cc1ccsc1C[NH2+][C@@H](CO)[C@H](O)c1ccc([N+](=O)[O-])cc1 ZINC000085324897 539399778 /nfs/dbraw/zinc/39/97/78/539399778.db2.gz SMZOQDVOXGNVTI-DZGCQCFKSA-N 1 0 322.386 2.149 50 5 DEBARO CC(C)[C@H]1C[N@H+](Cc2ccc(C(N)=O)cc2[N+](=O)[O-])CCS1 ZINC000072836485 191237172 /nfs/dbraw/zinc/23/71/72/191237172.db2.gz NOOREMLMNQGZPY-CQSZACIVSA-N 1 0 323.418 2.267 50 5 DEBARO CC1CC[NH+](C[C@H](O)COc2ccc(F)cc2[N+](=O)[O-])CC1 ZINC000095439056 402033000 /nfs/dbraw/zinc/03/30/00/402033000.db2.gz YIWORTVHLCTDKS-ZDUSSCGKSA-N 1 0 312.341 2.206 50 5 DEBARO COc1cc(C(=O)N[C@@H]2CC[C@@H]([NH+](C)C)C2)cc([N+](=O)[O-])c1C ZINC000195579914 402273546 /nfs/dbraw/zinc/27/35/46/402273546.db2.gz NABSZIMXRUKSLC-CHWSQXEVSA-N 1 0 321.377 2.124 50 5 DEBARO CN(CCC[N@H+](C)Cc1ccncc1)c1ncccc1[N+](=O)[O-] ZINC000585092440 405865906 /nfs/dbraw/zinc/86/59/06/405865906.db2.gz WXHXEFVPINUVLL-UHFFFAOYSA-N 1 0 315.377 2.343 50 5 DEBARO C[C@@H]([NH2+]CC1(N(C)C)CCOCC1)c1ccc([N+](=O)[O-])cc1 ZINC000095968020 287018388 /nfs/dbraw/zinc/01/83/88/287018388.db2.gz TUXYRYWGASJYIK-CYBMUJFWSA-N 1 0 307.394 2.356 50 5 DEBARO Cc1ccc(N2CC[NH+](CC3CCOCC3)CC2)c([N+](=O)[O-])c1 ZINC000097212766 274748478 /nfs/dbraw/zinc/74/84/78/274748478.db2.gz SSPYPCXQTGFJBM-UHFFFAOYSA-N 1 0 319.405 2.452 50 5 DEBARO CC1(C)C[C@H](O)[C@@H]([C@H](O)c2cccc([N+](=O)[O-])c2)C(C)(C)[NH2+]1 ZINC000000205531 180725346 /nfs/dbraw/zinc/72/53/46/180725346.db2.gz QELWLAXNVYAKPA-MELADBBJSA-N 1 0 308.378 2.156 50 5 DEBARO O=C(Nc1nc2c(s1)C[NH2+]CC2)Nc1ccc([N+](=O)[O-])cc1 ZINC000075572477 355093844 /nfs/dbraw/zinc/09/38/44/355093844.db2.gz XBFHISMRGQZXTG-UHFFFAOYSA-N 1 0 319.346 2.341 50 5 DEBARO C[C@H](NC(=O)N(C)C[C@H]1CC[N@H+](C)C1)c1cccc([N+](=O)[O-])c1 ZINC000078757802 355277206 /nfs/dbraw/zinc/27/72/06/355277206.db2.gz REFQDNMXDGDGLV-STQMWFEESA-N 1 0 320.393 2.249 50 5 DEBARO C[N+](C)(C)CCOC(=O)[C@@](O)(c1ccccc1)C1CCCC1 ZINC000001899887 291447199 /nfs/dbraw/zinc/44/71/99/291447199.db2.gz DWQGGBPHBPPMCI-GOSISDBHSA-N 1 0 306.426 2.314 50 5 DEBARO Cc1ccc([C@@H]2NC(=[NH2+])Nc3nc4ccccc4n32)cc1[N+](=O)[O-] ZINC000007126838 401736775 /nfs/dbraw/zinc/73/67/75/401736775.db2.gz FXZWVLLCBBBOOV-CQSZACIVSA-N 1 0 322.328 2.349 50 5 DEBARO C[N+](C)(C)CCOC(=O)C(O)(c1ccccc1)c1ccccc1 ZINC000001999358 401711766 /nfs/dbraw/zinc/71/17/66/401711766.db2.gz IHRPDXFOMLCPIK-UHFFFAOYSA-N 1 0 314.405 2.172 50 5 in-man DEBARO COc1cc(NC(=O)C[NH2+]C2CCCC2)c(C)cc1[N+](=O)[O-] ZINC000008344369 401752452 /nfs/dbraw/zinc/75/24/52/401752452.db2.gz GGLGEWPNYDAFOZ-UHFFFAOYSA-N 1 0 307.350 2.383 50 5 DEBARO O=[N+]([O-])c1ccc(N2CC[NH+](CCc3ccccc3)CC2)nc1 ZINC000008745641 401756508 /nfs/dbraw/zinc/75/65/08/401756508.db2.gz MDNFZEZWBCQGTQ-UHFFFAOYSA-N 1 0 312.373 2.355 50 5 DEBARO CC(C)CC[NH+]1CCN(C(=O)c2cccc([N+](=O)[O-])c2)CC1 ZINC000048340074 401998320 /nfs/dbraw/zinc/99/83/20/401998320.db2.gz UGSXFRLPWRGWGH-UHFFFAOYSA-N 1 0 305.378 2.399 50 5 DEBARO CCNC(=O)C1CN(c2cc(C)[nH+]c3ccc([N+](=O)[O-])cc32)C1 ZINC000097083910 402105341 /nfs/dbraw/zinc/10/53/41/402105341.db2.gz BMCRZDHZXYNLLP-UHFFFAOYSA-N 1 0 314.345 2.024 50 5 DEBARO CC[NH+]1CCC(N(C)C(=O)c2ccc([N+](=O)[O-])cc2F)CC1 ZINC000071858665 402289750 /nfs/dbraw/zinc/28/97/50/402289750.db2.gz QDAGVJXDPCQVNX-UHFFFAOYSA-N 1 0 309.341 2.290 50 5 DEBARO CN1CC[NH+](CC2CCN(c3ccccc3[N+](=O)[O-])CC2)CC1 ZINC000057151556 276926537 /nfs/dbraw/zinc/92/65/37/276926537.db2.gz GYIDQDNUWSJPHE-UHFFFAOYSA-N 1 0 318.421 2.059 50 5 DEBARO Cc1ccc(C[NH2+]CC[S@](=O)C(F)(F)F)cc1[N+](=O)[O-] ZINC000585117156 789704915 /nfs/dbraw/zinc/70/49/15/789704915.db2.gz SKLJVMCJCUBMRR-FQEVSTJZSA-N 1 0 310.297 2.261 50 5 DEBARO CS[C@H]1CC[C@H]([N@H+](C)Cc2ccc(C(N)=O)cc2[N+](=O)[O-])C1 ZINC000072794242 191228368 /nfs/dbraw/zinc/22/83/68/191228368.db2.gz WGRLHAQCJIAQFE-STQMWFEESA-N 1 0 323.418 2.410 50 5 DEBARO NC(=[NH2+])SCC(=O)c1ccc(Br)c([N+](=O)[O-])c1 ZINC000004582737 181126698 /nfs/dbraw/zinc/12/66/98/181126698.db2.gz XADIPRKEXXBNNY-UHFFFAOYSA-N 1 0 318.152 2.167 50 5 DEBARO CCC(CC)[C@@H](CNc1ccc(C(N)=O)cc1[N+](=O)[O-])[NH+](C)C ZINC000024205096 182376618 /nfs/dbraw/zinc/37/66/18/182376618.db2.gz YLFWFGIHOPCANO-OAHLLOKOSA-N 1 0 322.409 2.472 50 5 DEBARO C[N+]1(C)[C@@H]2CC[C@H]1C[C@@H](OC(=O)[C@H](CO)c1ccccc1)C2 ZINC000100371018 193799270 /nfs/dbraw/zinc/79/92/70/193799270.db2.gz PIPAJLPNWZMYQA-LTIDMASMSA-N 1 0 304.410 2.076 50 5 biogenic,in-man DEBARO O=[N+]([O-])c1ccc(N2CC[NH2+]CC2)cc1NCc1cccnc1 ZINC000004117526 401725496 /nfs/dbraw/zinc/72/54/96/401725496.db2.gz UNFZPHVBNJIVHW-UHFFFAOYSA-N 1 0 313.361 2.012 50 5 DEBARO C[C@H]([NH2+]C[C@H](c1cnn(C)c1)N(C)C)c1ccc([N+](=O)[O-])cc1 ZINC000095422656 402032625 /nfs/dbraw/zinc/03/26/25/402032625.db2.gz RBLBMKCWTJCNJZ-BLLLJJGKSA-N 1 0 317.393 2.282 50 5 DEBARO Cc1c([C@H](C)NC[C@@H]2C[N@@H+]3CCC[C@@H]3CO2)cccc1[N+](=O)[O-] ZINC000095967706 402038263 /nfs/dbraw/zinc/03/82/63/402038263.db2.gz MYEUNCHBJXROHE-RRFJBIMHSA-N 1 0 319.405 2.417 50 5 DEBARO O=[N+]([O-])c1ccccc1C[NH2+][C@H]1CCN(c2ncccc2F)C1 ZINC000097036887 402101486 /nfs/dbraw/zinc/10/14/86/402101486.db2.gz KTFQAFQIIPRULK-ZDUSSCGKSA-N 1 0 316.336 2.497 50 5 DEBARO Cc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@H+]1C[C@@H](C)OC[C@H]1C ZINC000240444278 402442129 /nfs/dbraw/zinc/44/21/29/402442129.db2.gz FXDUUTLHAWCCMH-CHWSQXEVSA-N 1 0 321.377 2.341 50 5 DEBARO C[C@@]12CC[C@@H](C1)C(C)(C)[N@H+](C[C@H](O)Cn1cc([N+](=O)[O-])cn1)C2 ZINC000585116047 789702197 /nfs/dbraw/zinc/70/21/97/789702197.db2.gz FMAGWHZLYOGSHH-DUVNUKRYSA-N 1 0 322.409 2.053 50 5 DEBARO CCc1nc2c(s1)[C@@H]([NH2+]CCn1cc([N+](=O)[O-])cn1)CCC2 ZINC000090539990 539417641 /nfs/dbraw/zinc/41/76/41/539417641.db2.gz LQVAHYJGHHISAE-NSHDSACASA-N 1 0 321.406 2.477 50 5 DEBARO CC[NH+](CC)[C@@H]1CCN(C(=O)NCc2cccc([N+](=O)[O-])c2)C1 ZINC000076086443 355124436 /nfs/dbraw/zinc/12/44/36/355124436.db2.gz PEUNLRGHCCAQBQ-OAHLLOKOSA-N 1 0 320.393 2.221 50 5 DEBARO CS[C@H]1CCC[C@@H]1[N@H+](C)Cc1ccc(C(N)=O)cc1[N+](=O)[O-] ZINC000072896428 401713936 /nfs/dbraw/zinc/71/39/36/401713936.db2.gz WPKPBRVICVSWIX-JSGCOSHPSA-N 1 0 323.418 2.410 50 5 DEBARO CC(C)C(=O)N1CCC[N@H+](CCc2ccc([N+](=O)[O-])cc2)CC1 ZINC000075138831 401751570 /nfs/dbraw/zinc/75/15/70/401751570.db2.gz KVYWFKJQVGOUOL-UHFFFAOYSA-N 1 0 319.405 2.328 50 5 DEBARO O=C(/C=C/c1cccc([N+](=O)[O-])c1)N[C@@H]1CC[N@@H+]2CCCC[C@H]12 ZINC000047226793 401980522 /nfs/dbraw/zinc/98/05/22/401980522.db2.gz YXAKSGRPDJHZLU-XLBHYRNJSA-N 1 0 315.373 2.351 50 5 DEBARO C[N+]1(C)[C@@H]2CC[C@H]1C[C@@H](OC(=O)[C@@H](CO)c1ccccc1)C2 ZINC000100371013 402140912 /nfs/dbraw/zinc/14/09/12/402140912.db2.gz PIPAJLPNWZMYQA-HZMVEIRTSA-N 1 0 304.410 2.076 50 5 biogenic,in-man DEBARO O=C(CC[N@@H+]1CCO[C@H]2CCC[C@H]21)Nc1cccc([N+](=O)[O-])c1 ZINC000230132488 402347954 /nfs/dbraw/zinc/34/79/54/402347954.db2.gz ZCQHQSSGEPUYTB-CABCVRRESA-N 1 0 319.361 2.177 50 5 DEBARO CC[C@H](C)[N@H+](C)CCNC(=O)N1CCc2cc([N+](=O)[O-])ccc21 ZINC000225384127 424885563 /nfs/dbraw/zinc/88/55/63/424885563.db2.gz PEXDYOCYQZOEFL-LBPRGKRZSA-N 1 0 320.393 2.397 50 5 DEBARO C[C@H]([NH2+]CCn1cc([N+](=O)[O-])ccc1=O)c1ccc(F)c(F)c1 ZINC000097032985 185399805 /nfs/dbraw/zinc/39/98/05/185399805.db2.gz KABUUTDHAUXMTJ-JTQLQIEISA-N 1 0 323.299 2.386 50 5 DEBARO CC1(C)CC(=O)[C@@H]([C@@H](O)c2ccc([N+](=O)[O-])cc2)C(C)(C)[NH2+]1 ZINC000004785682 401727516 /nfs/dbraw/zinc/72/75/16/401727516.db2.gz JILSLUDMEKLBRA-KBPBESRZSA-N 1 0 306.362 2.364 50 5 DEBARO CC[C@](CO)(C(=O)O[C@H]1C[N+]2(C)CCC1CC2)c1ccccc1 ZINC000000355488 401695012 /nfs/dbraw/zinc/69/50/12/401695012.db2.gz FQSXHTCAEAKDPA-LBCUXPGKSA-N 1 0 318.437 2.109 50 5 DEBARO CC(C)(C)c1ccc(OC[C@H](O)C[N+]2(C)CCOCC2)cc1 ZINC000008843570 401756936 /nfs/dbraw/zinc/75/69/36/401756936.db2.gz MCMVQNMJXIAYJG-MRXNPFEDSA-N 1 0 308.442 2.201 50 5 DEBARO Cc1ccc(C(=O)NCCC2CC[NH+](C)CC2)cc1[N+](=O)[O-] ZINC000078578724 401856601 /nfs/dbraw/zinc/85/66/01/401856601.db2.gz AYIBRUJOVHUKCE-UHFFFAOYSA-N 1 0 305.378 2.365 50 5 DEBARO Cc1cc(N[C@H]2CCS(=O)(=O)C2)c2cc([N+](=O)[O-])ccc2[nH+]1 ZINC000097083755 280632904 /nfs/dbraw/zinc/63/29/04/280632904.db2.gz OOVFIVAQLANRCB-JTQLQIEISA-N 1 0 321.358 2.050 50 5 DEBARO Cc1ccc([C@H]2NC(=[NH2+])Nc3nc4ccccc4n32)cc1[N+](=O)[O-] ZINC000007126846 281006079 /nfs/dbraw/zinc/00/60/79/281006079.db2.gz FXZWVLLCBBBOOV-AWEZNQCLSA-N 1 0 322.328 2.349 50 5 DEBARO