smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name CCN1CCN(CCC[NH2+][C@@H](C)c2cccc([N+](=O)[O-])c2)CC1 ZINC000173319041 186176211 /nfs/dbraw/zinc/17/62/11/186176211.db2.gz MQNKXWDZVBRRSJ-HNNXBMFYSA-N 1 3 320.437 2.273 20 5 DEBDHO [NH3+][C@@H]1CCO[C@H]([C@H]2CCCN(Cc3ccc([N+](=O)[O-])cc3)C2)C1 ZINC000593315374 358053141 /nfs/dbraw/zinc/05/31/41/358053141.db2.gz IZKROUMLSFMGHE-UXLLHSPISA-N 1 3 319.405 2.313 20 5 DEBDHO O=[N+]([O-])c1ccccc1OCCN1CCC([C@@H]2CC[NH2+]C2)CC1 ZINC000357078122 285164684 /nfs/dbraw/zinc/16/46/84/285164684.db2.gz BDAICAVDFRKVIN-OAHLLOKOSA-N 1 3 319.405 2.295 20 5 DEBDHO C[C@@H]([NH2+]C1CCN(CCN(C)C)CC1)c1ccc([N+](=O)[O-])cc1 ZINC000150990939 402009322 /nfs/dbraw/zinc/00/93/22/402009322.db2.gz HCDXLDVHEMFIKH-CQSZACIVSA-N 1 3 320.437 2.271 20 5 DEBDHO C[C@@H]([NH2+]C[C@@H]1CCN(C2CC2)C1)c1ccc(N)c([N+](=O)[O-])c1 ZINC000284158173 403250300 /nfs/dbraw/zinc/25/03/00/403250300.db2.gz PRUBWDDFHZOSLH-NEPJUHHUSA-N 1 3 304.394 2.312 20 5 DEBDHO CCCC[C@@H](C[NH3+])N[C@H](C)CC(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000414813863 404740005 /nfs/dbraw/zinc/74/00/05/404740005.db2.gz NADJDCRIWBKCHM-OCCSQVGLSA-N 1 3 322.409 2.419 20 5 DEBDHO COc1cc(CNCCC[C@H]2CCC[NH2+]2)c([N+](=O)[O-])cc1OC ZINC000414963870 404777026 /nfs/dbraw/zinc/77/70/26/404777026.db2.gz DGRYTLPWAQUXEC-ZDUSSCGKSA-N 1 3 323.393 2.234 20 5 DEBDHO [NH3+]CC[C@@H]1CCCCN1CCC(=O)Nc1ccccc1[N+](=O)[O-] ZINC000420324107 405319117 /nfs/dbraw/zinc/31/91/17/405319117.db2.gz ZACMYVZRYDBIHV-ZDUSSCGKSA-N 1 3 320.393 2.127 20 5 DEBDHO C[C@H](c1cccc([N+](=O)[O-])c1)N1CCC([C@@H]2OCC[C@H]2[NH3+])CC1 ZINC000420329818 405321385 /nfs/dbraw/zinc/32/13/85/405321385.db2.gz PBXISAQMICVOEH-JLZZUVOBSA-N 1 3 319.405 2.484 20 5 DEBDHO C[C@H](C[NH2+][C@H](C)CC(=O)Nc1ccc([N+](=O)[O-])cc1)CN(C)C ZINC000425945430 405332304 /nfs/dbraw/zinc/33/23/04/405332304.db2.gz QUPABLWFMCITMQ-CHWSQXEVSA-N 1 3 322.409 2.099 20 5 DEBDHO C[C@H](CN[C@H](C)CC(=O)Nc1ccc([N+](=O)[O-])cc1)C[NH+](C)C ZINC000425945430 405332308 /nfs/dbraw/zinc/33/23/08/405332308.db2.gz QUPABLWFMCITMQ-CHWSQXEVSA-N 1 3 322.409 2.099 20 5 DEBDHO CC(C)C[C@H](C[NH3+])N[C@@H](C)CC(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000423259448 405739992 /nfs/dbraw/zinc/73/99/92/405739992.db2.gz DSVFUKXTFZGGQU-GXTWGEPZSA-N 1 3 322.409 2.275 20 5 DEBDHO CCCC[C@@H](C[NH3+])N[C@@H](C)CC(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000423296486 405752677 /nfs/dbraw/zinc/75/26/77/405752677.db2.gz HALFHFIHBLLYTQ-JSGCOSHPSA-N 1 3 322.409 2.419 20 5 DEBDHO C[C@@H](C[NH2+][C@@H](C)CC(=O)Nc1ccc([N+](=O)[O-])cc1)CN(C)C ZINC000425945433 274224833 /nfs/dbraw/zinc/22/48/33/274224833.db2.gz QUPABLWFMCITMQ-STQMWFEESA-N 1 3 322.409 2.099 20 5 DEBDHO C[C@@H](CN[C@@H](C)CC(=O)Nc1ccc([N+](=O)[O-])cc1)C[NH+](C)C ZINC000425945433 274224836 /nfs/dbraw/zinc/22/48/36/274224836.db2.gz QUPABLWFMCITMQ-STQMWFEESA-N 1 3 322.409 2.099 20 5 DEBDHO CC[NH+](CC)C[C@H]1CCCC[C@@H]1NCCn1ccc([N+](=O)[O-])n1 ZINC000348398735 535592678 /nfs/dbraw/zinc/59/26/78/535592678.db2.gz UAOCXVMBEHDWSV-CABCVRRESA-N 1 3 323.441 2.282 20 5 DEBDHO CCN(CC)C[C@H]1CCCC[C@@H]1[NH2+]CCn1ccc([N+](=O)[O-])n1 ZINC000348398735 535592685 /nfs/dbraw/zinc/59/26/85/535592685.db2.gz UAOCXVMBEHDWSV-CABCVRRESA-N 1 3 323.441 2.282 20 5 DEBDHO C[C@@H]1CNCC[C@H]1[NH2+]C1CCN(c2ccc([N+](=O)[O-])cc2)CC1 ZINC000841064702 650419870 /nfs/dbraw/zinc/41/98/70/650419870.db2.gz UEZGQBXKOQHNRL-CXAGYDPISA-N 1 3 318.421 2.151 20 5 DEBDHO CC(C)N1CCC([N@H+](C)C[C@@H](O)c2ccc([N+](=O)[O-])cc2)CC1 ZINC000776581146 642187665 /nfs/dbraw/zinc/18/76/65/642187665.db2.gz FGIZYWAHUCDSMO-QGZVFWFLSA-N 1 3 321.421 2.433 20 5 DEBDHO CC(C)N1CCC([N@@H+](C)C[C@@H](O)c2ccc([N+](=O)[O-])cc2)CC1 ZINC000776581146 642187667 /nfs/dbraw/zinc/18/76/67/642187667.db2.gz FGIZYWAHUCDSMO-QGZVFWFLSA-N 1 3 321.421 2.433 20 5 DEBDHO O=[N+]([O-])CC[NH2+]CC1CCN(Cc2ccccc2Cl)CC1 ZINC000905097616 643799843 /nfs/dbraw/zinc/79/98/43/643799843.db2.gz OUSLGVXSDZTBNR-UHFFFAOYSA-N 1 3 311.813 2.418 20 5 DEBDHO CC1(C)CNCC[C@H]1[NH2+]CCCOc1ccc([N+](=O)[O-])cc1 ZINC001576482551 1066620359 /nfs/dbraw/zinc/62/03/59/1066620359.db2.gz ZDZUWIYPUPBFMO-OAHLLOKOSA-N 1 3 307.394 2.341 20 5 DEBDHO COc1ccc(C[C@@H](C)N[C@@H]2CCC[C@@H]([NH3+])C2)c([N+](=O)[O-])c1 ZINC001246206486 1140873384 /nfs/dbraw/zinc/87/33/84/1140873384.db2.gz QPNDBCXVIQSYSC-MRVWCRGKSA-N 1 3 307.394 2.394 20 5 DEBDHO C[C@@H]([NH2+]C1CCN(CCN(C)C)CC1)c1cccc([N+](=O)[O-])c1 ZINC000173313291 186175570 /nfs/dbraw/zinc/17/55/70/186175570.db2.gz XQTHNXLTHRHILX-CQSZACIVSA-N 1 3 320.437 2.271 20 5 DEBDHO COc1ccc(CN2CCC[C@H]([C@@H]3CC[NH2+]C3)C2)cc1[N+](=O)[O-] ZINC000414779551 404732380 /nfs/dbraw/zinc/73/23/80/404732380.db2.gz KKNJHBDTIASNQY-CABCVRRESA-N 1 3 319.405 2.425 20 5 DEBDHO CCCC[C@H](C[NH3+])N[C@H](C)CC(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000414813865 404739967 /nfs/dbraw/zinc/73/99/67/404739967.db2.gz NADJDCRIWBKCHM-TZMCWYRMSA-N 1 3 322.409 2.419 20 5 DEBDHO O=[N+]([O-])c1ccc(OC(F)F)c(CNCC[C@H]2CC[NH2+]C2)c1 ZINC000414840497 404746029 /nfs/dbraw/zinc/74/60/29/404746029.db2.gz XEEPIFFFRYEAIY-SNVBAGLBSA-N 1 3 315.320 2.285 20 5 DEBDHO O=[N+]([O-])c1ccc2oc(CN3CC[C@H]4C[NH2+]C[C@H]4CC3)nc2c1 ZINC000420326625 405320543 /nfs/dbraw/zinc/32/05/43/405320543.db2.gz CMMDSWWOBCLEAF-TXEJJXNPSA-N 1 3 316.361 2.167 20 5 DEBDHO Cc1c(NC(=O)CCN[C@](C)(C[NH3+])C(C)C)cccc1[N+](=O)[O-] ZINC000430558600 405456475 /nfs/dbraw/zinc/45/64/75/405456475.db2.gz VXRVBDOLGQDPNA-MRXNPFEDSA-N 1 3 322.409 2.195 20 5 DEBDHO [NH3+]C[C@H]1CCN(CCc2ncc(-c3cccc([N+](=O)[O-])c3)o2)C1 ZINC000430959869 405548095 /nfs/dbraw/zinc/54/80/95/405548095.db2.gz FGELNNVXHFHFLF-GFCCVEGCSA-N 1 3 316.361 2.073 20 5 DEBDHO O=[N+]([O-])c1ccc(OCCN[C@@H]2CCC[C@H]2[C@@H]2CCC[NH2+]2)cc1 ZINC000576338136 326286542 /nfs/dbraw/zinc/28/65/42/326286542.db2.gz QZAKVNSQLXVXDS-ZACQAIPSSA-N 1 3 319.405 2.484 20 5 DEBDHO Cc1ccc(CN2CCC3(CO[C@@H](C[NH3+])C3)CC2)cc1[N+](=O)[O-] ZINC000923447982 637183299 /nfs/dbraw/zinc/18/32/99/637183299.db2.gz YYYUHTMVJFLTFD-OAHLLOKOSA-N 1 3 319.405 2.233 20 5 DEBDHO CCN1CC[C@H]([N@H+](C)C[C@H](O)c2ccc([N+](=O)[O-])cc2)C[C@H]1C ZINC000776277567 642153053 /nfs/dbraw/zinc/15/30/53/642153053.db2.gz OCZAULQMLLJGQO-COXVUDFISA-N 1 3 321.421 2.433 20 5 DEBDHO CCN1CC[C@H]([N@@H+](C)C[C@H](O)c2ccc([N+](=O)[O-])cc2)C[C@H]1C ZINC000776277567 642153056 /nfs/dbraw/zinc/15/30/56/642153056.db2.gz OCZAULQMLLJGQO-COXVUDFISA-N 1 3 321.421 2.433 20 5 DEBDHO CCN1CCN(CCC[NH2+]Cc2cccc([N+](=O)[O-])c2C)CC1 ZINC000873012741 689140684 /nfs/dbraw/zinc/14/06/84/689140684.db2.gz WUVYFPTUSFRJEE-UHFFFAOYSA-N 1 3 320.437 2.020 20 5 DEBDHO C[C@@H]1C[NH2+]CCC[C@H]1CNc1cc2c(cc1[N+](=O)[O-])CNC2 ZINC001162467608 799094761 /nfs/dbraw/zinc/09/47/61/799094761.db2.gz REXXFYSCEJXIDV-NEPJUHHUSA-N 1 3 304.394 2.246 20 5 DEBDHO [NH3+][C@@H]1CCO[C@@H]([C@@H]2CCCN(Cc3cccc([N+](=O)[O-])c3)C2)C1 ZINC000593314688 358053093 /nfs/dbraw/zinc/05/30/93/358053093.db2.gz FNYVJKWNGVIQPB-BFYDXBDKSA-N 1 3 319.405 2.313 20 5 DEBDHO Cc1c(C[NH2+]C2CCN(CC(C)(C)O)CC2)cccc1[N+](=O)[O-] ZINC000602634409 360469127 /nfs/dbraw/zinc/46/91/27/360469127.db2.gz PBZLXOVBJXMRLB-UHFFFAOYSA-N 1 3 321.421 2.228 20 5 DEBDHO CC(C)c1ccc(CNCCCN2CC[NH2+]CC2)cc1[N+](=O)[O-] ZINC000414778445 404732185 /nfs/dbraw/zinc/73/21/85/404732185.db2.gz IDMHXOHURXDLRD-UHFFFAOYSA-N 1 3 320.437 2.103 20 5 DEBDHO CC(C)C[C@@H](C[NH3+])N[C@@H](C)CC(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000414835200 404744991 /nfs/dbraw/zinc/74/49/91/404744991.db2.gz HKAUTIZGWDFUJL-JSGCOSHPSA-N 1 3 322.409 2.275 20 5 DEBDHO COc1cc(CN[C@H](C)CCCC[NH3+])c([N+](=O)[O-])cc1OC ZINC000415008662 404787314 /nfs/dbraw/zinc/78/73/14/404787314.db2.gz DFGANFYPWMVFIX-LLVKDONJSA-N 1 3 311.382 2.219 20 5 DEBDHO CC(C)[C@@H]([NH3+])CCN(C)CCC(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000430600490 405464748 /nfs/dbraw/zinc/46/47/48/405464748.db2.gz SAVXZIKDEKUNRE-HNNXBMFYSA-N 1 3 322.409 2.229 20 5 DEBDHO Cc1ccc([N+](=O)[O-])cc1NC(=O)CN(C)C1CCC([NH3+])CC1 ZINC000843353848 650955667 /nfs/dbraw/zinc/95/56/67/650955667.db2.gz MUQVSAVMTOELHQ-UHFFFAOYSA-N 1 3 320.393 2.043 20 5 DEBDHO Cc1ccc2c(ccnc2NC(=N)NCCCC[NH3+])c1[N+](=O)[O-] ZINC001167878570 778742638 /nfs/dbraw/zinc/74/26/38/778742638.db2.gz UHQVYOPONPMREX-UHFFFAOYSA-N 1 3 316.365 2.127 20 5 DEBDHO C[C@@H]([NH2+]C1C[C@H]2CC[C@@H](C1)N2C)c1ccc(N)c([N+](=O)[O-])c1 ZINC000296648765 533343010 /nfs/dbraw/zinc/34/30/10/533343010.db2.gz YQOZNGFLQTXMHH-NDNKKMJESA-N 1 3 304.394 2.453 20 5 DEBDHO CCC(N)(CC)C[NH2+][C@H](C)CC(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000414815308 404741203 /nfs/dbraw/zinc/74/12/03/404741203.db2.gz XDECVYOWZCKMIU-GFCCVEGCSA-N 1 3 322.409 2.419 20 5 DEBDHO COc1cc(CNCCC[C@@H]2CCC[NH2+]2)c([N+](=O)[O-])cc1OC ZINC000414963869 404777374 /nfs/dbraw/zinc/77/73/74/404777374.db2.gz DGRYTLPWAQUXEC-CYBMUJFWSA-N 1 3 323.393 2.234 20 5 DEBDHO CCC([NH3+])(CC)CN[C@H]1CCCC[C@H]1n1ccc([N+](=O)[O-])n1 ZINC000423288853 405750145 /nfs/dbraw/zinc/75/01/45/405750145.db2.gz VKRQGYKFHUKPKO-QWHCGFSZSA-N 1 3 309.414 2.382 20 5 DEBDHO C[C@@H]1C[C@H]([NH2+][C@H]2CCCC[C@@H]2n2ccc([N+](=O)[O-])n2)CCN1 ZINC000423371202 405780854 /nfs/dbraw/zinc/78/08/54/405780854.db2.gz FDAJAYFEGKJNAM-MQYQWHSLSA-N 1 3 307.398 2.005 20 5 DEBDHO C[C@@H]1C[C@H](N[C@H]2CCCC[C@@H]2n2ccc([N+](=O)[O-])n2)CC[NH2+]1 ZINC000423371202 405780857 /nfs/dbraw/zinc/78/08/57/405780857.db2.gz FDAJAYFEGKJNAM-MQYQWHSLSA-N 1 3 307.398 2.005 20 5 DEBDHO CCN1CCN([C@@H](C)C[NH2+][C@H](C)c2cccc([N+](=O)[O-])c2)CC1 ZINC000173321674 267473086 /nfs/dbraw/zinc/47/30/86/267473086.db2.gz TXQHAYRZGDXSGL-LSDHHAIUSA-N 1 3 320.437 2.271 20 5 DEBDHO C[C@H](CCN[C@@H](C)CC(=O)Nc1ccc([N+](=O)[O-])cc1)[NH+](C)C ZINC000895292294 637895873 /nfs/dbraw/zinc/89/58/73/637895873.db2.gz AXVXLDLNFHDVFB-QWHCGFSZSA-N 1 3 322.409 2.242 20 5 DEBDHO C[C@H](CC[NH2+][C@@H](C)CC(=O)Nc1ccc([N+](=O)[O-])cc1)N(C)C ZINC000895292294 637895880 /nfs/dbraw/zinc/89/58/80/637895880.db2.gz AXVXLDLNFHDVFB-QWHCGFSZSA-N 1 3 322.409 2.242 20 5 DEBDHO C[C@H](CC[NH2+]C1CCN(c2ccc([N+](=O)[O-])cc2)CC1)N(C)C ZINC000895296809 637901118 /nfs/dbraw/zinc/90/11/18/637901118.db2.gz QQYBLSHSPVAAMA-CQSZACIVSA-N 1 3 320.437 2.493 20 5 DEBDHO C[C@H](NCc1ccc(C[NH3+])cc1)c1ccc(N)c([N+](=O)[O-])c1 ZINC000843343621 650953335 /nfs/dbraw/zinc/95/33/35/650953335.db2.gz BDDGBSXFONNTED-NSHDSACASA-N 1 3 300.362 2.487 20 5 DEBDHO Cc1cc([N+](=O)[O-])ccc1NC(=O)CN(C)C1CCC([NH3+])CC1 ZINC000843353986 650955738 /nfs/dbraw/zinc/95/57/38/650955738.db2.gz PAKWRPMDCYZYIU-UHFFFAOYSA-N 1 3 320.393 2.043 20 5 DEBDHO CN1CCC[C@@]2(CC[N@H+](C[C@@H](O)c3ccc([N+](=O)[O-])cc3)C2)C1 ZINC000815142940 646978323 /nfs/dbraw/zinc/97/83/23/646978323.db2.gz ADHKNKUZVZDULA-IAGOWNOFSA-N 1 3 319.405 2.046 20 5 DEBDHO CN1CCC[C@@]2(CC[N@@H+](C[C@@H](O)c3ccc([N+](=O)[O-])cc3)C2)C1 ZINC000815142940 646978327 /nfs/dbraw/zinc/97/83/27/646978327.db2.gz ADHKNKUZVZDULA-IAGOWNOFSA-N 1 3 319.405 2.046 20 5 DEBDHO CN1CCC[C@]2(CC[N@H+](C[C@H](O)c3ccc([N+](=O)[O-])cc3)C2)C1 ZINC000815142941 646978601 /nfs/dbraw/zinc/97/86/01/646978601.db2.gz ADHKNKUZVZDULA-IRXDYDNUSA-N 1 3 319.405 2.046 20 5 DEBDHO CN1CCC[C@]2(CC[N@@H+](C[C@H](O)c3ccc([N+](=O)[O-])cc3)C2)C1 ZINC000815142941 646978606 /nfs/dbraw/zinc/97/86/06/646978606.db2.gz ADHKNKUZVZDULA-IRXDYDNUSA-N 1 3 319.405 2.046 20 5 DEBDHO CC(C)N1CCC[C@@H](C[NH2+]C2CC(n3cc([N+](=O)[O-])cn3)C2)C1 ZINC000877019758 689999342 /nfs/dbraw/zinc/99/93/42/689999342.db2.gz DJWMDKOBGRIASA-NFOMZHRRSA-N 1 3 321.425 2.205 20 5 DEBDHO C[NH+]1CCC2(CN([C@H]3Cc4ccc([N+](=O)[O-])cc4C3)C2)CC1 ZINC001254606891 1143279034 /nfs/dbraw/zinc/27/90/34/1143279034.db2.gz JEFVXYNWDHNKTM-INIZCTEOSA-N 1 3 301.390 2.090 20 5 DEBDHO C[NH+](C)CCOCCN[C@H]1CC(C)(C)c2ccc([N+](=O)[O-])cc21 ZINC000433083635 282108760 /nfs/dbraw/zinc/10/87/60/282108760.db2.gz PYLYCNXSUZOPLA-INIZCTEOSA-N 1 3 321.421 2.485 20 5 DEBDHO CC[C@H]([NH2+]CC1(O)CCN(C)CC1)c1cccc([N+](=O)[O-])c1 ZINC000268970518 207132498 /nfs/dbraw/zinc/13/24/98/207132498.db2.gz HZZURWPKXASKAE-HNNXBMFYSA-N 1 3 307.394 2.092 20 5 DEBDHO Cc1ccc([N+](=O)[O-])cc1NC(=O)CCN(C)CC(C)(C)C[NH3+] ZINC000430593635 405463671 /nfs/dbraw/zinc/46/36/71/405463671.db2.gz TVRNPMCLUFAGLD-UHFFFAOYSA-N 1 3 322.409 2.149 20 5 DEBDHO Cc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@@H+](C)CC(C)(C)CN ZINC000430593635 405463672 /nfs/dbraw/zinc/46/36/72/405463672.db2.gz TVRNPMCLUFAGLD-UHFFFAOYSA-N 1 3 322.409 2.149 20 5 DEBDHO Cc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@H+](C)CC(C)(C)CN ZINC000430593635 405463674 /nfs/dbraw/zinc/46/36/74/405463674.db2.gz TVRNPMCLUFAGLD-UHFFFAOYSA-N 1 3 322.409 2.149 20 5 DEBDHO C[NH+](C)CCOCCN[C@@H]1CC(C)(C)c2ccc([N+](=O)[O-])cc21 ZINC000433083636 276762843 /nfs/dbraw/zinc/76/28/43/276762843.db2.gz PYLYCNXSUZOPLA-MRXNPFEDSA-N 1 3 321.421 2.485 20 5 DEBDHO CC(C)N(Cc1ccc([N+](=O)[O-])cc1)C[C@@H]1CC2(C[NH2+]C2)CO1 ZINC000923309350 637109510 /nfs/dbraw/zinc/10/95/10/637109510.db2.gz KCYKGZIDUHQJPS-INIZCTEOSA-N 1 3 319.405 2.184 20 5 DEBDHO C[C@H](C[NH2+]C1CC(n2cc([N+](=O)[O-])cn2)C1)CN1CCCCC1 ZINC000876949492 689980923 /nfs/dbraw/zinc/98/09/23/689980923.db2.gz WYNGPKFTAVVQLB-WLYUNCDWSA-N 1 3 321.425 2.206 20 5 DEBDHO [NH3+]CCCN(C[C@H](O)c1ccc([N+](=O)[O-])cc1)CC1CCCC1 ZINC001580297247 1075897247 /nfs/dbraw/zinc/89/72/47/1075897247.db2.gz MZMHRSCEBPAXJY-KRWDZBQOSA-N 1 3 321.421 2.469 20 5 DEBDHO COc1ccc(C[C@H](C)NC[C@@H]2C[NH2+]C[C@H](C)C2)c([N+](=O)[O-])c1 ZINC001246100282 1140860854 /nfs/dbraw/zinc/86/08/54/1140860854.db2.gz ODBZHFXDLNQVAQ-RDBSUJKOSA-N 1 3 321.421 2.370 20 5 DEBDHO COc1ccc(C[C@H](C)NC[C@@H]2C[NH2+]C[C@@H](C)C2)c([N+](=O)[O-])c1 ZINC001246100279 1140861077 /nfs/dbraw/zinc/86/10/77/1140861077.db2.gz ODBZHFXDLNQVAQ-IHRRRGAJSA-N 1 3 321.421 2.370 20 5 DEBDHO C[C@H]1C[NH2+]C[C@@H](N[C@@H]2CCc3ccc([N+](=O)[O-])cc3CC2)C1 ZINC001246496957 1140926352 /nfs/dbraw/zinc/92/63/52/1140926352.db2.gz NKCSMIYLXWVZIE-WQVCFCJDSA-N 1 3 303.406 2.430 20 5 DEBDHO C[C@H](C[C@H](C)[NH3+])NCc1cn(C)nc1-c1ccc([N+](=O)[O-])cc1 ZINC000592438274 357877218 /nfs/dbraw/zinc/87/72/18/357877218.db2.gz IFEJRBAZMANVCB-NWDGAFQWSA-N 1 3 317.393 2.211 20 5 DEBDHO [NH3+]C1(CN[C@H]2CCCC[C@@H]2n2ccc([N+](=O)[O-])n2)CCCC1 ZINC000596648240 358732053 /nfs/dbraw/zinc/73/20/53/358732053.db2.gz MXZWERZSNWKPSR-STQMWFEESA-N 1 3 307.398 2.136 20 5 DEBDHO [NH3+]CC[C@H]1CCCCN1CCC(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000420306230 405312924 /nfs/dbraw/zinc/31/29/24/405312924.db2.gz ACDLYBRXPCDUAB-CQSZACIVSA-N 1 3 320.393 2.127 20 5 DEBDHO C[C@H](C[NH2+][C@@H](C)CC(=O)Nc1ccc([N+](=O)[O-])cc1)CN(C)C ZINC000425945431 405332261 /nfs/dbraw/zinc/33/22/61/405332261.db2.gz QUPABLWFMCITMQ-OLZOCXBDSA-N 1 3 322.409 2.099 20 5 DEBDHO C[C@H](CN[C@@H](C)CC(=O)Nc1ccc([N+](=O)[O-])cc1)C[NH+](C)C ZINC000425945431 405332264 /nfs/dbraw/zinc/33/22/64/405332264.db2.gz QUPABLWFMCITMQ-OLZOCXBDSA-N 1 3 322.409 2.099 20 5 DEBDHO Cc1c(NC(=O)CCN[C@@](C)(C[NH3+])C(C)C)cccc1[N+](=O)[O-] ZINC000430558599 405456792 /nfs/dbraw/zinc/45/67/92/405456792.db2.gz VXRVBDOLGQDPNA-INIZCTEOSA-N 1 3 322.409 2.195 20 5 DEBDHO O=[N+]([O-])c1ccccc1/C=C\C[NH2+]C[C@@H]1CNCCC1(F)F ZINC000903954288 643528793 /nfs/dbraw/zinc/52/87/93/643528793.db2.gz CMIQGNCVLPQGCC-HSBHDXMMSA-N 1 3 311.332 2.442 20 5 DEBDHO Cc1c(C[NH2+]CCN2CCN(C)C(C)(C)C2)cccc1[N+](=O)[O-] ZINC000873121298 689162187 /nfs/dbraw/zinc/16/21/87/689162187.db2.gz FATCDMGVIQHCKB-UHFFFAOYSA-N 1 3 320.437 2.019 20 5 DEBDHO COc1ccc([N+](=O)[O-])c(C[C@@H](C)[NH2+][C@@H]2CCC[C@@H]2N)c1F ZINC001173182575 793622541 /nfs/dbraw/zinc/62/25/41/793622541.db2.gz HJTOYFYMYUBTNP-ADEWGFFLSA-N 1 3 311.357 2.143 20 5 DEBDHO C[N@@H+]1CCC[C@H](CCNc2cc3c(cc2[N+](=O)[O-])CNC3)C1 ZINC001165277990 799694536 /nfs/dbraw/zinc/69/45/36/799694536.db2.gz CFUDZRZONPDAHA-GFCCVEGCSA-N 1 3 304.394 2.342 20 5 DEBDHO C[N@H+]1CCC[C@H](CCNc2cc3c(cc2[N+](=O)[O-])CNC3)C1 ZINC001165277990 799694540 /nfs/dbraw/zinc/69/45/40/799694540.db2.gz CFUDZRZONPDAHA-GFCCVEGCSA-N 1 3 304.394 2.342 20 5 DEBDHO COc1ccc(C[C@H](C)NC[C@H]2C[NH2+]CC[C@H]2C)c([N+](=O)[O-])c1 ZINC001246121905 1140863198 /nfs/dbraw/zinc/86/31/98/1140863198.db2.gz VHLPYHJJPCHWET-VNHYZAJKSA-N 1 3 321.421 2.370 20 5 DEBDHO C[N@H+](CCCN1CCCC1)[C@@H]1Cc2ccc([N+](=O)[O-])cc2C1 ZINC001254600907 1143274921 /nfs/dbraw/zinc/27/49/21/1143274921.db2.gz SEMFCQIEIVCTAI-QGZVFWFLSA-N 1 3 303.406 2.480 20 5 DEBDHO C[N@@H+](CCCN1CCCC1)[C@@H]1Cc2ccc([N+](=O)[O-])cc2C1 ZINC001254600907 1143274938 /nfs/dbraw/zinc/27/49/38/1143274938.db2.gz SEMFCQIEIVCTAI-QGZVFWFLSA-N 1 3 303.406 2.480 20 5 DEBDHO COc1ccc([N+](=O)[O-])cc1CN[C@@H]1CC[C@@H]2C[NH2+]C[C@@H]2C1 ZINC000592469631 357882880 /nfs/dbraw/zinc/88/28/80/357882880.db2.gz XKZBNISXYMIOAJ-MBNYWOFBSA-N 1 3 305.378 2.081 20 5 DEBDHO Cc1ccc(C[NH2+]CCN2CCN(C)C(C)(C)C2)cc1[N+](=O)[O-] ZINC000282464386 217015760 /nfs/dbraw/zinc/01/57/60/217015760.db2.gz UFDJHXXUXXFAPW-UHFFFAOYSA-N 1 3 320.437 2.019 20 5 DEBDHO CC(C)C[C@H](C[NH3+])NC(=O)C(C)(C)c1ccc([N+](=O)[O-])cc1 ZINC000565652020 292175113 /nfs/dbraw/zinc/17/51/13/292175113.db2.gz CMPKOTRYCDABRO-CYBMUJFWSA-N 1 3 307.394 2.362 20 5 DEBDHO C[NH+](C)CCOCCN[C@@H]1CCCc2ccc([N+](=O)[O-])cc21 ZINC000447603859 405418373 /nfs/dbraw/zinc/41/83/73/405418373.db2.gz ZAAFAFWLUWQTOY-MRXNPFEDSA-N 1 3 307.394 2.140 20 5 DEBDHO COc1cc(C[NH2+]C2CCC([NH+](C)C)CC2)c([N+](=O)[O-])cc1[O-] ZINC000421373314 405478845 /nfs/dbraw/zinc/47/88/45/405478845.db2.gz NMMFLAOPTIRNIB-UHFFFAOYSA-N 1 3 323.393 2.271 20 5 DEBDHO CCCC[C@@H](C[NH3+])N[C@H](C)CC(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000423296487 405752344 /nfs/dbraw/zinc/75/23/44/405752344.db2.gz HALFHFIHBLLYTQ-OCCSQVGLSA-N 1 3 322.409 2.419 20 5 DEBDHO O=[N+]([O-])c1cccc([C@@H](O)CN2CCC([C@@H]3CCC[NH2+]3)CC2)c1 ZINC000923364789 637138396 /nfs/dbraw/zinc/13/83/96/637138396.db2.gz OJXWWFLLJDBJLW-IRXDYDNUSA-N 1 3 319.405 2.092 20 5 DEBDHO COc1ccc(C[C@H](C)[N@H+](C)CCCN(C)C)c([N+](=O)[O-])c1 ZINC001170329329 786911459 /nfs/dbraw/zinc/91/14/59/786911459.db2.gz ONOPJQBKPGDTIG-ZDUSSCGKSA-N 1 3 309.410 2.418 20 5 DEBDHO COc1ccc(C[C@H](C)[N@@H+](C)CCCN(C)C)c([N+](=O)[O-])c1 ZINC001170329329 786911463 /nfs/dbraw/zinc/91/14/63/786911463.db2.gz ONOPJQBKPGDTIG-ZDUSSCGKSA-N 1 3 309.410 2.418 20 5 DEBDHO C[N@H+](C[C@H](O)c1ccc([N+](=O)[O-])cc1)C1(CN)CCCCC1 ZINC001578446554 1067103940 /nfs/dbraw/zinc/10/39/40/1067103940.db2.gz ZZKCWQVGDFMUDU-HNNXBMFYSA-N 1 3 307.394 2.222 20 5 DEBDHO C[N@@H+](C[C@H](O)c1ccc([N+](=O)[O-])cc1)C1(CN)CCCCC1 ZINC001578446554 1067103945 /nfs/dbraw/zinc/10/39/45/1067103945.db2.gz ZZKCWQVGDFMUDU-HNNXBMFYSA-N 1 3 307.394 2.222 20 5 DEBDHO [NH3+][C@@H]1CCO[C@H]([C@H]2CCCN(Cc3ccccc3[N+](=O)[O-])C2)C1 ZINC000593314264 358052552 /nfs/dbraw/zinc/05/25/52/358052552.db2.gz BLWYLHQEZTZTAC-UXLLHSPISA-N 1 3 319.405 2.313 20 5 DEBDHO [NH3+][C@@H]1CCO[C@@H]([C@@H]2CCCN(Cc3ccc([N+](=O)[O-])cc3)C2)C1 ZINC000593315370 358053405 /nfs/dbraw/zinc/05/34/05/358053405.db2.gz IZKROUMLSFMGHE-BFYDXBDKSA-N 1 3 319.405 2.313 20 5 DEBDHO [NH3+]C1(CN[C@@H]2CCCC[C@H]2n2ccc([N+](=O)[O-])n2)CCCC1 ZINC000596648237 358732310 /nfs/dbraw/zinc/73/23/10/358732310.db2.gz MXZWERZSNWKPSR-CHWSQXEVSA-N 1 3 307.398 2.136 20 5 DEBDHO CCN1CC[C@H]([NH2+]Cc2ccc(OC)c([N+](=O)[O-])c2)[C@H](C)C1 ZINC000266059676 205064926 /nfs/dbraw/zinc/06/49/26/205064926.db2.gz AMAPRNRDNLXPFH-OCCSQVGLSA-N 1 3 307.394 2.423 20 5 DEBDHO C[C@H]([NH2+]CCCCN1CCN(C)CC1)c1cccc([N+](=O)[O-])c1 ZINC000531941014 284631703 /nfs/dbraw/zinc/63/17/03/284631703.db2.gz BSKSIDDQBVEGOY-HNNXBMFYSA-N 1 3 320.437 2.273 20 5 DEBDHO CCC[C@H]([NH2+]CC1(O)CCN(C)CC1)c1cccc([N+](=O)[O-])c1 ZINC000268987496 207145613 /nfs/dbraw/zinc/14/56/13/207145613.db2.gz LTIVYVCCDNMOIN-INIZCTEOSA-N 1 3 321.421 2.482 20 5 DEBDHO O=[N+]([O-])c1ccn([C@@H]2CCCC[C@H]2[NH2+]CCCNC2CC2)n1 ZINC000423547373 285168514 /nfs/dbraw/zinc/16/85/14/285168514.db2.gz GBAKSJUHRGEIQT-ZIAGYGMSSA-N 1 3 307.398 2.007 20 5 DEBDHO O=[N+]([O-])c1ccn([C@@H]2CCCC[C@H]2NCCC[NH2+]C2CC2)n1 ZINC000423547373 285168516 /nfs/dbraw/zinc/16/85/16/285168516.db2.gz GBAKSJUHRGEIQT-ZIAGYGMSSA-N 1 3 307.398 2.007 20 5 DEBDHO COc1ccc([N+](=O)[O-])cc1CN1CCC2(C1)CC[NH2+]CC2 ZINC000358499386 147145839 /nfs/dbraw/zinc/14/58/39/147145839.db2.gz NVEVWKJIKBVSPN-UHFFFAOYSA-N 1 3 305.378 2.179 20 5 DEBDHO C[NH+](C)CCC1CCN(C[C@H](O)c2cccc([N+](=O)[O-])c2)CC1 ZINC000269645892 403153323 /nfs/dbraw/zinc/15/33/23/403153323.db2.gz KXYQLLTXMFQMRC-KRWDZBQOSA-N 1 3 321.421 2.292 20 5 DEBDHO C[C@@H]1C[C@H](CN2CCN(c3ccccc3[N+](=O)[O-])CC2)CC[NH2+]1 ZINC000414678434 404706970 /nfs/dbraw/zinc/70/69/70/404706970.db2.gz XWSNPHNFPXXUAD-HUUCEWRRSA-N 1 3 318.421 2.105 20 5 DEBDHO COc1cc(CNC[C@@H]2CCC[C@H]([NH3+])C2)c([N+](=O)[O-])cc1OC ZINC000415000755 404785739 /nfs/dbraw/zinc/78/57/39/404785739.db2.gz UCJOPVXEZUWNKR-YPMHNXCESA-N 1 3 323.393 2.219 20 5 DEBDHO COc1ccc([N+](=O)[O-])cc1CN1CCC[C@H]([C@@H]2CC[NH2+]C2)C1 ZINC000420344230 405327288 /nfs/dbraw/zinc/32/72/88/405327288.db2.gz SEVIPROSHNBCKB-KGLIPLIRSA-N 1 3 319.405 2.425 20 5 DEBDHO O=[N+]([O-])c1ccc(OCCN2CCC([C@H]3CCC[NH2+]3)CC2)cc1 ZINC000420346147 405328079 /nfs/dbraw/zinc/32/80/79/405328079.db2.gz XNLZBQJEWWTFQQ-QGZVFWFLSA-N 1 3 319.405 2.438 20 5 DEBDHO C[C@@H](c1cccc([N+](=O)[O-])c1)N1CCC2(CO[C@H](C[NH3+])C2)CC1 ZINC000923455009 637185555 /nfs/dbraw/zinc/18/55/55/637185555.db2.gz RUTBZHCPDGNULH-BBRMVZONSA-N 1 3 319.405 2.486 20 5 DEBDHO CN(C)CC1(C[NH2+]C[C@@H](O)c2cccc([N+](=O)[O-])c2)CCCC1 ZINC000819226945 647612108 /nfs/dbraw/zinc/61/21/08/647612108.db2.gz MAXLDMATIUAWEL-MRXNPFEDSA-N 1 3 321.421 2.340 20 5 DEBDHO CN(C)CC1(C[NH2+]C[C@H](O)c2cccc([N+](=O)[O-])c2)CCCC1 ZINC000819226944 647612417 /nfs/dbraw/zinc/61/24/17/647612417.db2.gz MAXLDMATIUAWEL-INIZCTEOSA-N 1 3 321.421 2.340 20 5 DEBDHO COc1ccc(C[C@@H](C)N[C@H]2CCC[C@H]([NH3+])C2)c([N+](=O)[O-])c1 ZINC001170318633 786906386 /nfs/dbraw/zinc/90/63/86/786906386.db2.gz QPNDBCXVIQSYSC-XBFCOCLRSA-N 1 3 307.394 2.394 20 5 DEBDHO C[N@@H+]1CCC[C@@H](CCNc2cc3c(cc2[N+](=O)[O-])CNC3)C1 ZINC001165277992 799694432 /nfs/dbraw/zinc/69/44/32/799694432.db2.gz CFUDZRZONPDAHA-LBPRGKRZSA-N 1 3 304.394 2.342 20 5 DEBDHO C[N@H+]1CCC[C@@H](CCNc2cc3c(cc2[N+](=O)[O-])CNC3)C1 ZINC001165277992 799694435 /nfs/dbraw/zinc/69/44/35/799694435.db2.gz CFUDZRZONPDAHA-LBPRGKRZSA-N 1 3 304.394 2.342 20 5 DEBDHO C[C@H]1C[NH2+]C[C@@H](N[C@H]2CCc3ccc([N+](=O)[O-])cc3CC2)C1 ZINC001246496955 1140926458 /nfs/dbraw/zinc/92/64/58/1140926458.db2.gz NKCSMIYLXWVZIE-KCXAZCMYSA-N 1 3 303.406 2.430 20 5 DEBDHO C[C@H]1C[N@@H+](C2CCN(c3ccc([N+](=O)[O-])cc3)CC2)C[C@H]1CN ZINC001246544786 1140949869 /nfs/dbraw/zinc/94/98/69/1140949869.db2.gz YWVMXIPJGJXRCS-UONOGXRCSA-N 1 3 318.421 2.090 20 5 DEBDHO C[C@H]1C[N@H+](C2CCN(c3ccc([N+](=O)[O-])cc3)CC2)C[C@H]1CN ZINC001246544786 1140949886 /nfs/dbraw/zinc/94/98/86/1140949886.db2.gz YWVMXIPJGJXRCS-UONOGXRCSA-N 1 3 318.421 2.090 20 5 DEBDHO CCOc1ccc([N+](=O)[O-])cc1CN[C@@H]1CC12CC[NH2+]CC2 ZINC000591281851 357699285 /nfs/dbraw/zinc/69/92/85/357699285.db2.gz OYBUNLQMUSVWKA-OAHLLOKOSA-N 1 3 305.378 2.225 20 5 DEBDHO C[C@H]1CCCN(CCOc2cccc([N+](=O)[O-])c2)[C@H]1CC[NH3+] ZINC000593730828 358132656 /nfs/dbraw/zinc/13/26/56/358132656.db2.gz HZWHYUBPRODLLZ-BBRMVZONSA-N 1 3 307.394 2.423 20 5 DEBDHO Cc1c([C@@H](C)[NH2+]CC2(O)CCN(C)CC2)cccc1[N+](=O)[O-] ZINC000268974723 207137231 /nfs/dbraw/zinc/13/72/31/207137231.db2.gz IYWOPSQCNNGKCC-CYBMUJFWSA-N 1 3 307.394 2.011 20 5 DEBDHO C[NH+]1CCC(N2CC[C@H](Nc3ccc([N+](=O)[O-])cc3)C2)CC1 ZINC000362637798 133242651 /nfs/dbraw/zinc/24/26/51/133242651.db2.gz RITCZZVJHNBJRW-AWEZNQCLSA-N 1 3 304.394 2.175 20 5 DEBDHO [NH3+]CC[C@@H]1CCCCN1CCC(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000420306228 405313094 /nfs/dbraw/zinc/31/30/94/405313094.db2.gz ACDLYBRXPCDUAB-AWEZNQCLSA-N 1 3 320.393 2.127 20 5 DEBDHO C[C@@H](c1ccccc1[N+](=O)[O-])N1CCC([C@@H]2OCC[C@H]2[NH3+])CC1 ZINC000420336925 405324416 /nfs/dbraw/zinc/32/44/16/405324416.db2.gz QPBHICQYNOLVQS-MJEQTWJJSA-N 1 3 319.405 2.484 20 5 DEBDHO C[C@H](CC(=O)Nc1ccc([N+](=O)[O-])cc1)N[C@H]1CC[NH2+][C@H](C)C1 ZINC000423384518 405785730 /nfs/dbraw/zinc/78/57/30/405785730.db2.gz QIUYUFYIMCERQU-BZPMIXESSA-N 1 3 320.393 2.042 20 5 DEBDHO C[C@H](CC(=O)Nc1ccc([N+](=O)[O-])cc1)[NH2+][C@H]1CCN[C@H](C)C1 ZINC000423384518 405785732 /nfs/dbraw/zinc/78/57/32/405785732.db2.gz QIUYUFYIMCERQU-BZPMIXESSA-N 1 3 320.393 2.042 20 5 DEBDHO CCN(C)C[C@@H](O)C[N@@H+]1CCC[C@@H](c2ccc([N+](=O)[O-])cc2)C1 ZINC000570940166 406458395 /nfs/dbraw/zinc/45/83/95/406458395.db2.gz QHQOATCMWYMZSR-NVXWUHKLSA-N 1 3 321.421 2.087 20 5 DEBDHO CCN(C)C[C@@H](O)C[N@H+]1CCC[C@@H](c2ccc([N+](=O)[O-])cc2)C1 ZINC000570940166 406458401 /nfs/dbraw/zinc/45/84/01/406458401.db2.gz QHQOATCMWYMZSR-NVXWUHKLSA-N 1 3 321.421 2.087 20 5 DEBDHO C[C@]1(C[NH2+][C@@H]2CCCC[C@H]2n2ccc([N+](=O)[O-])n2)CCCNC1 ZINC000423344741 280158334 /nfs/dbraw/zinc/15/83/34/280158334.db2.gz ONCBBLVSPWZIHZ-FMKPAKJESA-N 1 3 321.425 2.254 20 5 DEBDHO C[C@]1(CN[C@@H]2CCCC[C@H]2n2ccc([N+](=O)[O-])n2)CCC[NH2+]C1 ZINC000423344741 280158335 /nfs/dbraw/zinc/15/83/35/280158335.db2.gz ONCBBLVSPWZIHZ-FMKPAKJESA-N 1 3 321.425 2.254 20 5 DEBDHO CC(COC(=O)c1ccc(C[NH+]2CCCCC2)cc1)[N+](=O)[O-] ZINC000813105375 646729811 /nfs/dbraw/zinc/72/98/11/646729811.db2.gz YERJSFVPQIFDCM-ZDUSSCGKSA-N 1 3 306.362 2.495 20 5 DEBDHO CCCCN1CCC([NH2+]C[C@H](O)c2cccc([N+](=O)[O-])c2)CC1 ZINC000819043037 647571068 /nfs/dbraw/zinc/57/10/68/647571068.db2.gz OXQQTLOHLOOJTP-KRWDZBQOSA-N 1 3 321.421 2.482 20 5 DEBDHO CC(C)(C[NH2+]C1CC(n2cc([N+](=O)[O-])cn2)C1)CN1CCCC1 ZINC000877474156 690124234 /nfs/dbraw/zinc/12/42/34/690124234.db2.gz RTBZJQVDKIMOBJ-UHFFFAOYSA-N 1 3 321.425 2.206 20 5 DEBDHO CC[NH+]1CCC(CN[C@](C)(CO)c2cccc([N+](=O)[O-])c2)CC1 ZINC001665450986 1081030036 /nfs/dbraw/zinc/03/00/36/1081030036.db2.gz YQASHOOKICWNEP-QGZVFWFLSA-N 1 3 321.421 2.124 20 5 DEBDHO C[C@H]([NH2+]C1CCN(CCN(C)C)CC1)c1cccc([N+](=O)[O-])c1 ZINC000173313277 186175657 /nfs/dbraw/zinc/17/56/57/186175657.db2.gz XQTHNXLTHRHILX-AWEZNQCLSA-N 1 3 320.437 2.271 20 5 DEBDHO O=[N+]([O-])c1ccn([C@@H]2CCCC[C@@H]2N[C@@H]2CCC[NH2+]CC2)n1 ZINC000591578376 357737707 /nfs/dbraw/zinc/73/77/07/357737707.db2.gz XMEMTOCBKRFLQY-HZSPNIEDSA-N 1 3 307.398 2.007 20 5 DEBDHO O=[N+]([O-])c1ccn([C@@H]2CCCC[C@@H]2[NH2+][C@@H]2CCCNCC2)n1 ZINC000591578376 357737709 /nfs/dbraw/zinc/73/77/09/357737709.db2.gz XMEMTOCBKRFLQY-HZSPNIEDSA-N 1 3 307.398 2.007 20 5 DEBDHO CC[NH+](CC)CC1CCN(CCn2c(C)ncc2[N+](=O)[O-])CC1 ZINC000602763817 360541657 /nfs/dbraw/zinc/54/16/57/360541657.db2.gz DTFRQLAIUUXNRU-UHFFFAOYSA-N 1 3 323.441 2.154 20 5 DEBDHO C[C@H]([NH2+]C[C@H]1CCN(C2CC2)C1)c1ccc(N)c([N+](=O)[O-])c1 ZINC000284158175 403250320 /nfs/dbraw/zinc/25/03/20/403250320.db2.gz PRUBWDDFHZOSLH-NWDGAFQWSA-N 1 3 304.394 2.312 20 5 DEBDHO COC[C@]1(C[NH2+][C@@H](C)CCc2ccccc2[N+](=O)[O-])CCCN1 ZINC000414952878 404774418 /nfs/dbraw/zinc/77/44/18/404774418.db2.gz ITQGRMKZHDNHNV-WMLDXEAASA-N 1 3 321.421 2.274 20 5 DEBDHO CN1CC=C(C[NH2+][C@H]2CCCC[C@H]2n2ccc([N+](=O)[O-])n2)CC1 ZINC000447572508 405418243 /nfs/dbraw/zinc/41/82/43/405418243.db2.gz CHKFWIZNOLHTGA-LSDHHAIUSA-N 1 3 319.409 2.127 20 5 DEBDHO O=[N+]([O-])c1ccccc1OCCN1CCC2(CC[NH2+]C2)CC1 ZINC000431038719 405565769 /nfs/dbraw/zinc/56/57/69/405565769.db2.gz DOHCZIJJKZOVLM-UHFFFAOYSA-N 1 3 305.378 2.049 20 5 DEBDHO O=[N+]([O-])c1ccc(OCCN[C@@H]2CCC[C@H]2[C@H]2CCC[NH2+]2)cc1 ZINC000576338134 326286730 /nfs/dbraw/zinc/28/67/30/326286730.db2.gz QZAKVNSQLXVXDS-BRWVUGGUSA-N 1 3 319.405 2.484 20 5 DEBDHO O=[N+]([O-])c1cccc([C@H](O)CN2CCC([C@@H]3CCC[NH2+]3)CC2)c1 ZINC000923364787 637138309 /nfs/dbraw/zinc/13/83/09/637138309.db2.gz OJXWWFLLJDBJLW-DLBZAZTESA-N 1 3 319.405 2.092 20 5 DEBDHO C[C@H]([NH3+])[C@@H]1COCC[C@H]1NC[C@@H](C)c1ccccc1[N+](=O)[O-] ZINC000902429043 643035244 /nfs/dbraw/zinc/03/52/44/643035244.db2.gz JMSFSNQUUFCSOQ-PAPYEOQZSA-N 1 3 307.394 2.040 20 5 DEBDHO CC(C)(C[NH3+])C1CCN(C[C@H](O)c2cccc([N+](=O)[O-])c2)CC1 ZINC000903791161 643456327 /nfs/dbraw/zinc/45/63/27/643456327.db2.gz PKHBRXIAKWLSIE-INIZCTEOSA-N 1 3 321.421 2.325 20 5 DEBDHO C[C@H](C[NH2+]C1CCN(c2ccc([N+](=O)[O-])cc2)CC1)CN(C)C ZINC000813877457 646818602 /nfs/dbraw/zinc/81/86/02/646818602.db2.gz WKWZMTXNCPHUKF-CQSZACIVSA-N 1 3 320.437 2.351 20 5 DEBDHO CN(C)[C@@H]1CCC[C@@H]([NH2+]C[C@H](O)c2ccc([N+](=O)[O-])cc2)C1 ZINC000819133354 647590059 /nfs/dbraw/zinc/59/00/59/647590059.db2.gz OOQRZMUFKVDIBZ-BMFZPTHFSA-N 1 3 307.394 2.091 20 5 DEBDHO O=[N+]([O-])CCN1CCC2(CC[N@H+](Cc3ccccc3)C2)CC1 ZINC000930134707 694097383 /nfs/dbraw/zinc/09/73/83/694097383.db2.gz SUBCSJJUPCDXMZ-UHFFFAOYSA-N 1 3 303.406 2.251 20 5 DEBDHO O=[N+]([O-])CCN1CCC2(CC[N@@H+](Cc3ccccc3)C2)CC1 ZINC000930134707 694097384 /nfs/dbraw/zinc/09/73/84/694097384.db2.gz SUBCSJJUPCDXMZ-UHFFFAOYSA-N 1 3 303.406 2.251 20 5 DEBDHO C[C@@H]1CCCN(CCOc2ccc([N+](=O)[O-])cc2)[C@H]1CC[NH3+] ZINC000593733993 358132507 /nfs/dbraw/zinc/13/25/07/358132507.db2.gz QOKJWHZYAUOPSI-CJNGLKHVSA-N 1 3 307.394 2.423 20 5 DEBDHO CCN1CCN([C@H](C)C[NH2+][C@@H](C)c2cccc([N+](=O)[O-])c2)CC1 ZINC000173321661 402692241 /nfs/dbraw/zinc/69/22/41/402692241.db2.gz TXQHAYRZGDXSGL-CABCVRRESA-N 1 3 320.437 2.271 20 5 DEBDHO C/C(=C\c1cccc([N+](=O)[O-])c1)C[NH2+]C[C@@H](O)CN1CCCC1 ZINC000344790328 404369755 /nfs/dbraw/zinc/36/97/55/404369755.db2.gz IKWPBWBYYPXOOK-RKCSUWQLSA-N 1 3 319.405 2.044 20 5 DEBDHO C[C@H](CC(=O)Nc1cccc([N+](=O)[O-])c1)NCCC[NH2+]C1CC1 ZINC000415067246 404799811 /nfs/dbraw/zinc/79/98/11/404799811.db2.gz KGQLRXNFFCJKKQ-GFCCVEGCSA-N 1 3 320.393 2.044 20 5 DEBDHO C[C@H](CC(=O)Nc1cccc([N+](=O)[O-])c1)[NH2+]CCCNC1CC1 ZINC000415067246 404799814 /nfs/dbraw/zinc/79/98/14/404799814.db2.gz KGQLRXNFFCJKKQ-GFCCVEGCSA-N 1 3 320.393 2.044 20 5 DEBDHO CCCC[C@H](C[NH3+])N[C@@H](C)CC(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000423296485 405751318 /nfs/dbraw/zinc/75/13/18/405751318.db2.gz HALFHFIHBLLYTQ-GXTWGEPZSA-N 1 3 322.409 2.419 20 5 DEBDHO CCN(C)C[C@H](O)C[N@@H+]1CCC[C@@H](c2ccc([N+](=O)[O-])cc2)C1 ZINC000570940170 406460386 /nfs/dbraw/zinc/46/03/86/406460386.db2.gz QHQOATCMWYMZSR-WBVHZDCISA-N 1 3 321.421 2.087 20 5 DEBDHO CCN(C)C[C@H](O)C[N@H+]1CCC[C@@H](c2ccc([N+](=O)[O-])cc2)C1 ZINC000570940170 406460389 /nfs/dbraw/zinc/46/03/89/406460389.db2.gz QHQOATCMWYMZSR-WBVHZDCISA-N 1 3 321.421 2.087 20 5 DEBDHO C[C@@H]1C[C@@H](CN2CCN(c3ccccc3[N+](=O)[O-])CC2)CC[NH2+]1 ZINC000414678432 274385640 /nfs/dbraw/zinc/38/56/40/274385640.db2.gz XWSNPHNFPXXUAD-CABCVRRESA-N 1 3 318.421 2.105 20 5 DEBDHO C[C@H]1C[C@@H]([NH2+]C2CCN(c3ccc([N+](=O)[O-])cc3)CC2)CCN1 ZINC000841062202 650418611 /nfs/dbraw/zinc/41/86/11/650418611.db2.gz SWXYYCFWRWRRLG-ZFWWWQNUSA-N 1 3 318.421 2.294 20 5 DEBDHO C[NH+]1CCC(CN2CCN(c3ccc([N+](=O)[O-])cc3)CC2)CC1 ZINC000788469548 643613425 /nfs/dbraw/zinc/61/34/25/643613425.db2.gz LPJNPNNJBIBSAB-UHFFFAOYSA-N 1 3 318.421 2.059 20 5 DEBDHO CCN1CCC[C@@H]1CNC(=[NH2+])NCc1cccc([N+](=O)[O-])c1C ZINC000849092692 651600760 /nfs/dbraw/zinc/60/07/60/651600760.db2.gz AAXFIDFORBKLGX-CQSZACIVSA-N 1 3 319.409 2.001 20 5 DEBDHO CCN1C[C@@H]2C[NH+]([C@@H](C)Cc3ccc([N+](=O)[O-])cc3)C[C@H]2C1 ZINC001173238399 793656895 /nfs/dbraw/zinc/65/68/95/793656895.db2.gz RFHYBMOTIPLDDW-NUEKZKHPSA-N 1 3 303.406 2.409 20 5 DEBDHO CCN(CCOc1ccccc1[N+](=O)[O-])[C@H]1CCC[NH2+]CC1 ZINC000435615166 404995429 /nfs/dbraw/zinc/99/54/29/404995429.db2.gz GVBQOGNOEQVWBE-AWEZNQCLSA-N 1 3 307.394 2.438 20 5 DEBDHO O=[N+]([O-])c1cccc(OCCN2CCC3(CC[NH2+]C3)CC2)c1 ZINC000431032095 405565259 /nfs/dbraw/zinc/56/52/59/405565259.db2.gz ABQBTUJINPMPNF-UHFFFAOYSA-N 1 3 305.378 2.049 20 5 DEBDHO CC[NH+](CC)C[C@@H]1CCCC[C@H]1NCCn1ccc([N+](=O)[O-])n1 ZINC000348398738 535581167 /nfs/dbraw/zinc/58/11/67/535581167.db2.gz UAOCXVMBEHDWSV-LSDHHAIUSA-N 1 3 323.441 2.282 20 5 DEBDHO CCN(CC)C[C@@H]1CCCC[C@H]1[NH2+]CCn1ccc([N+](=O)[O-])n1 ZINC000348398738 535581172 /nfs/dbraw/zinc/58/11/72/535581172.db2.gz UAOCXVMBEHDWSV-LSDHHAIUSA-N 1 3 323.441 2.282 20 5 DEBDHO [NH3+]CCCN(C[C@H](O)c1cccc([N+](=O)[O-])c1)CC1CCCC1 ZINC000923351847 637133720 /nfs/dbraw/zinc/13/37/20/637133720.db2.gz CEZLULOLZXQECX-KRWDZBQOSA-N 1 3 321.421 2.469 20 5 DEBDHO CCCN1CCC([N@H+](C)C[C@@H](O)c2ccc([N+](=O)[O-])cc2)CC1 ZINC000776592464 642190517 /nfs/dbraw/zinc/19/05/17/642190517.db2.gz ORSXWOWPGZFTST-QGZVFWFLSA-N 1 3 321.421 2.434 20 5 DEBDHO CCCN1CCC([N@@H+](C)C[C@@H](O)c2ccc([N+](=O)[O-])cc2)CC1 ZINC000776592464 642190518 /nfs/dbraw/zinc/19/05/18/642190518.db2.gz ORSXWOWPGZFTST-QGZVFWFLSA-N 1 3 321.421 2.434 20 5 DEBDHO CCN(CC)CC[C@H](C)[NH2+]C1CC(n2cc([N+](=O)[O-])cn2)C1 ZINC001659132151 1080231174 /nfs/dbraw/zinc/23/11/74/1080231174.db2.gz YTTYQSRNDOYOOS-HSBZDZAISA-N 1 3 309.414 2.205 20 5 DEBDHO C[C@H](CC(=O)Nc1cccc([N+](=O)[O-])c1)N[C@H]1CCC[C@H]([NH3+])C1 ZINC000414921770 404767548 /nfs/dbraw/zinc/76/75/48/404767548.db2.gz FVBSAWUPDFDGMC-AGIUHOORSA-N 1 3 320.393 2.171 20 5 DEBDHO C[C@H](CC(=O)Nc1cccc([N+](=O)[O-])c1)[NH2+][C@H]1CCC[C@H](N)C1 ZINC000414921770 404767552 /nfs/dbraw/zinc/76/75/52/404767552.db2.gz FVBSAWUPDFDGMC-AGIUHOORSA-N 1 3 320.393 2.171 20 5 DEBDHO C[C@@H](CCC[NH3+])NCc1cc([N+](=O)[O-])ccc1OC(F)F ZINC000415026558 404790041 /nfs/dbraw/zinc/79/00/41/404790041.db2.gz UOVDDWQSIGAXJG-VIFPVBQESA-N 1 3 303.309 2.413 20 5 DEBDHO [NH3+][C@H]1CCCO[C@@H]1C1CCN(Cc2ccc([N+](=O)[O-])cc2)CC1 ZINC000415130124 404814771 /nfs/dbraw/zinc/81/47/71/404814771.db2.gz QLMYSJDMSRITDK-DLBZAZTESA-N 1 3 319.405 2.313 20 5 DEBDHO C[C@H](NCCN1CCC([NH+](C)C)CC1)c1ccc([N+](=O)[O-])cc1 ZINC000160258403 278258791 /nfs/dbraw/zinc/25/87/91/278258791.db2.gz AMYUVKAWZALAKZ-AWEZNQCLSA-N 1 3 320.437 2.271 20 5 DEBDHO O=[N+]([O-])c1ccc(OCCN[C@@H]2CCC[C@@H]2[C@@H]2CCC[NH2+]2)cc1 ZINC000576338133 326286440 /nfs/dbraw/zinc/28/64/40/326286440.db2.gz QZAKVNSQLXVXDS-BBWFWOEESA-N 1 3 319.405 2.484 20 5 DEBDHO COc1c([O-])ccc(C[NH2+]CC2(C)CC[NH+](C)CC2)c1[N+](=O)[O-] ZINC000893470708 633809325 /nfs/dbraw/zinc/80/93/25/633809325.db2.gz KAQHNYDAVYDTEJ-UHFFFAOYSA-N 1 3 323.393 2.131 20 5 DEBDHO COc1ccc(OCCN2CCC[C@@H](CC[NH3+])C2)c([N+](=O)[O-])c1 ZINC000443060365 238102474 /nfs/dbraw/zinc/10/24/74/238102474.db2.gz OXMITGCIJIYLHE-ZDUSSCGKSA-N 1 3 323.393 2.043 20 5 DEBDHO C[C@H](CC(=O)Nc1cccc([N+](=O)[O-])c1)N[C@@H]1CCC[C@@H]([NH3+])C1 ZINC000414921772 404767269 /nfs/dbraw/zinc/76/72/69/404767269.db2.gz FVBSAWUPDFDGMC-JHJVBQTASA-N 1 3 320.393 2.171 20 5 DEBDHO C[C@H](CC(=O)Nc1cccc([N+](=O)[O-])c1)[NH2+][C@@H]1CCC[C@@H](N)C1 ZINC000414921772 404767271 /nfs/dbraw/zinc/76/72/71/404767271.db2.gz FVBSAWUPDFDGMC-JHJVBQTASA-N 1 3 320.393 2.171 20 5 DEBDHO CC(C)[NH2+]CCCN[C@H]1CCCC[C@@H]1n1ccc([N+](=O)[O-])n1 ZINC000568499460 292345017 /nfs/dbraw/zinc/34/50/17/292345017.db2.gz CQJRRWILHIUULL-KBPBESRZSA-N 1 3 309.414 2.253 20 5 DEBDHO C[C@@H](c1cccc([N+](=O)[O-])c1)N1CCC([C@@H]2OCC[C@H]2[NH3+])CC1 ZINC000420329820 405322219 /nfs/dbraw/zinc/32/22/19/405322219.db2.gz PBXISAQMICVOEH-VUCTXSBTSA-N 1 3 319.405 2.484 20 5 DEBDHO C[C@@H]1C[C@H]([NH2+][C@@H]2CCCC[C@@H]2n2ccc([N+](=O)[O-])n2)CCN1 ZINC000423371203 405779726 /nfs/dbraw/zinc/77/97/26/405779726.db2.gz FDAJAYFEGKJNAM-SYQHCUMBSA-N 1 3 307.398 2.005 20 5 DEBDHO C[C@@H]1C[C@H](N[C@@H]2CCCC[C@@H]2n2ccc([N+](=O)[O-])n2)CC[NH2+]1 ZINC000423371203 405779735 /nfs/dbraw/zinc/77/97/35/405779735.db2.gz FDAJAYFEGKJNAM-SYQHCUMBSA-N 1 3 307.398 2.005 20 5 DEBDHO COc1ccc(CNCC[C@H]2CCC[N@H+](C)C2)cc1[N+](=O)[O-] ZINC000459734870 406024673 /nfs/dbraw/zinc/02/46/73/406024673.db2.gz OSJCAYLHNBANSL-CYBMUJFWSA-N 1 3 307.394 2.425 20 5 DEBDHO COc1ccc(CNCC[C@H]2CCC[N@@H+](C)C2)cc1[N+](=O)[O-] ZINC000459734870 406024676 /nfs/dbraw/zinc/02/46/76/406024676.db2.gz OSJCAYLHNBANSL-CYBMUJFWSA-N 1 3 307.394 2.425 20 5 DEBDHO C[C@H](C[NH2+][C@@H]1CCCC[C@H]1n1ccc([N+](=O)[O-])n1)CN(C)C ZINC000425943684 279349080 /nfs/dbraw/zinc/34/90/80/279349080.db2.gz JOVMFHOBMSAFNG-MGPQQGTHSA-N 1 3 309.414 2.062 20 5 DEBDHO C[C@H]1CC[NH2+]C[C@@H]1NC1CCN(c2ccc([N+](=O)[O-])cc2)CC1 ZINC000841058034 650416956 /nfs/dbraw/zinc/41/69/56/650416956.db2.gz FRRVVNKJNNIRDF-GUYCJALGSA-N 1 3 318.421 2.151 20 5 DEBDHO O=[N+]([O-])c1ccn([C@@H]2CCCC[C@H]2[NH2+]C[C@@H]2CCCCCN2)n1 ZINC000902482398 643056778 /nfs/dbraw/zinc/05/67/78/643056778.db2.gz KQQMTQQRUGIXSP-RRFJBIMHSA-N 1 3 321.425 2.397 20 5 DEBDHO C[C@H](C[NH2+][C@@H](C)c1c(F)cccc1[N+](=O)[O-])N1CCN(C)CC1 ZINC000872034955 688917030 /nfs/dbraw/zinc/91/70/30/688917030.db2.gz SKBDJBHPIIXEOT-OLZOCXBDSA-N 1 3 324.400 2.020 20 5 DEBDHO COc1ccc(C[C@H](C)NC[C@H]2C[NH2+]CC[C@@H]2C)c([N+](=O)[O-])c1 ZINC001246121904 1140862974 /nfs/dbraw/zinc/86/29/74/1140862974.db2.gz VHLPYHJJPCHWET-KCQAQPDRSA-N 1 3 321.421 2.370 20 5 DEBDHO C[C@H]([NH3+])C[C@H](C)NCc1cn(C)nc1-c1ccc([N+](=O)[O-])cc1 ZINC000592438281 357877379 /nfs/dbraw/zinc/87/73/79/357877379.db2.gz IFEJRBAZMANVCB-RYUDHWBXSA-N 1 3 317.393 2.211 20 5 DEBDHO [NH3+][C@@H]1CCO[C@@H]([C@H]2CCCN(Cc3ccc([N+](=O)[O-])cc3)C2)C1 ZINC000593315376 358053237 /nfs/dbraw/zinc/05/32/37/358053237.db2.gz IZKROUMLSFMGHE-ZMSDIMECSA-N 1 3 319.405 2.313 20 5 DEBDHO COc1ccc(OCCN2CCC[C@H](CC[NH3+])C2)c([N+](=O)[O-])c1 ZINC000443060364 238100850 /nfs/dbraw/zinc/10/08/50/238100850.db2.gz OXMITGCIJIYLHE-CYBMUJFWSA-N 1 3 323.393 2.043 20 5 DEBDHO C[C@@H]1C[C@@H](CN2CCN(c3cccc([N+](=O)[O-])c3)CC2)CC[NH2+]1 ZINC000414696503 404710105 /nfs/dbraw/zinc/71/01/05/404710105.db2.gz GCPQYBDLXJJKKY-CABCVRRESA-N 1 3 318.421 2.105 20 5 DEBDHO [NH3+]C[C@@H]1CC[C@@H](NCc2cc([N+](=O)[O-])ccc2OC(F)F)C1 ZINC000415029598 404790846 /nfs/dbraw/zinc/79/08/46/404790846.db2.gz DZCQOYPEXREPRH-MWLCHTKSSA-N 1 3 315.320 2.413 20 5 DEBDHO COc1ccc([N+](=O)[O-])cc1CN1CCC[C@@H]([C@@H]2CC[NH2+]C2)C1 ZINC000420344232 405327206 /nfs/dbraw/zinc/32/72/06/405327206.db2.gz SEVIPROSHNBCKB-ZIAGYGMSSA-N 1 3 319.405 2.425 20 5 DEBDHO CC[NH2+]CC1CCN(CCOc2ccccc2[N+](=O)[O-])CC1 ZINC000430566835 405459084 /nfs/dbraw/zinc/45/90/84/405459084.db2.gz DHUJCSPEOROYAZ-UHFFFAOYSA-N 1 3 307.394 2.295 20 5 DEBDHO Cc1ccc([N+](=O)[O-])cc1NC(=O)CCN[C@](C)(C[NH3+])C(C)C ZINC000430574904 405460537 /nfs/dbraw/zinc/46/05/37/405460537.db2.gz URDBQGZLWMMSKR-MRXNPFEDSA-N 1 3 322.409 2.195 20 5 DEBDHO O=[N+]([O-])c1ccn([C@@H]2CCCC[C@@H]2[NH2+]CCCNC2CC2)n1 ZINC000423547371 405851314 /nfs/dbraw/zinc/85/13/14/405851314.db2.gz GBAKSJUHRGEIQT-UONOGXRCSA-N 1 3 307.398 2.007 20 5 DEBDHO O=[N+]([O-])c1ccn([C@@H]2CCCC[C@@H]2NCCC[NH2+]C2CC2)n1 ZINC000423547371 405851323 /nfs/dbraw/zinc/85/13/23/405851323.db2.gz GBAKSJUHRGEIQT-UONOGXRCSA-N 1 3 307.398 2.007 20 5 DEBDHO O=[N+]([O-])c1ccc(OCCN[C@@H]2CCC[C@@H]2[C@H]2CCC[NH2+]2)cc1 ZINC000576338135 326286474 /nfs/dbraw/zinc/28/64/74/326286474.db2.gz QZAKVNSQLXVXDS-GVDBMIGSSA-N 1 3 319.405 2.484 20 5 DEBDHO COc1ccc(C[C@H](C)N[C@@H]2CCC[C@@H]([NH3+])C2)c([N+](=O)[O-])c1 ZINC001246206485 1140873492 /nfs/dbraw/zinc/87/34/92/1140873492.db2.gz QPNDBCXVIQSYSC-IACUBPJLSA-N 1 3 307.394 2.394 20 5 DEBDHO O=[N+]([O-])c1ccc2c(c1)CC[C@H]([NH2+][C@H](C1CC1)C1CNC1)CC2 ZINC001246513361 1140931753 /nfs/dbraw/zinc/93/17/53/1140931753.db2.gz DJQCFEYHWVIBBI-SJLPKXTDSA-N 1 3 315.417 2.430 20 5 DEBDHO C[C@H](Cc1ccccc1[N+](=O)[O-])N1C[C@@H]2C[N@@H+](C)CC[C@@H]2C1 ZINC001254559971 1143248597 /nfs/dbraw/zinc/24/85/97/1143248597.db2.gz DFXGWQYXEMTBJU-BMFZPTHFSA-N 1 3 303.406 2.409 20 5 DEBDHO C[C@H](Cc1ccccc1[N+](=O)[O-])N1C[C@@H]2C[N@H+](C)CC[C@@H]2C1 ZINC001254559971 1143248610 /nfs/dbraw/zinc/24/86/10/1143248610.db2.gz DFXGWQYXEMTBJU-BMFZPTHFSA-N 1 3 303.406 2.409 20 5 DEBDHO CCN(CCOc1ccc([N+](=O)[O-])cc1)[C@H]1CCC[NH2+]CC1 ZINC000435629478 404998804 /nfs/dbraw/zinc/99/88/04/404998804.db2.gz XQHRHKZFNAFNGI-AWEZNQCLSA-N 1 3 307.394 2.438 20 5 DEBDHO CC(C)c1ccc(CNCCOCC[NH+](C)C)cc1[N+](=O)[O-] ZINC000354197060 405091598 /nfs/dbraw/zinc/09/15/98/405091598.db2.gz YJXCBXDIKBQPKB-UHFFFAOYSA-N 1 3 309.410 2.386 20 5 DEBDHO COc1ccc(C[NH2+][C@@H]2C[C@H](C)N(C)C[C@H]2C)cc1[N+](=O)[O-] ZINC000358027389 536898779 /nfs/dbraw/zinc/89/87/79/536898779.db2.gz RBIADXIJEULZCW-MBNYWOFBSA-N 1 3 307.394 2.422 20 5 DEBDHO O=[N+]([O-])c1cnn(C2CC(NC3CC([NH+]4CCCCC4)C3)C2)c1 ZINC000877492495 690129824 /nfs/dbraw/zinc/12/98/24/690129824.db2.gz XPJVQTJCRFHITQ-UHFFFAOYSA-N 1 3 319.409 2.101 20 5 DEBDHO CCC[N@H+](CC)C[C@@H](C)NC1CC(n2cc([N+](=O)[O-])cn2)C1 ZINC000877543032 690146419 /nfs/dbraw/zinc/14/64/19/690146419.db2.gz VMIJNRKRZMALPY-IYXRBSQSSA-N 1 3 309.414 2.205 20 5 DEBDHO CCC[N@@H+](CC)C[C@@H](C)NC1CC(n2cc([N+](=O)[O-])cn2)C1 ZINC000877543032 690146422 /nfs/dbraw/zinc/14/64/22/690146422.db2.gz VMIJNRKRZMALPY-IYXRBSQSSA-N 1 3 309.414 2.205 20 5 DEBDHO CCN(CC)CC[C@@H](C)[NH2+]C1CC(n2cc([N+](=O)[O-])cn2)C1 ZINC001659132152 1080231445 /nfs/dbraw/zinc/23/14/45/1080231445.db2.gz YTTYQSRNDOYOOS-IYXRBSQSSA-N 1 3 309.414 2.205 20 5 DEBDHO CCN1CCN([C@@H](C)C[NH2+][C@@H](C)c2ccc([N+](=O)[O-])cc2)CC1 ZINC000155711037 186105886 /nfs/dbraw/zinc/10/58/86/186105886.db2.gz KYDHJKQJIDQERI-GJZGRUSLSA-N 1 3 320.437 2.271 20 5 DEBDHO C[C@@H](NCCn1ccc([N+](=O)[O-])n1)[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC000185682916 356209337 /nfs/dbraw/zinc/20/93/37/356209337.db2.gz QBSCOGIHPYJTNP-KGLIPLIRSA-N 1 3 321.425 2.034 20 5 DEBDHO C[C@@H](NCCn1ccc([N+](=O)[O-])n1)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC000185682916 356209340 /nfs/dbraw/zinc/20/93/40/356209340.db2.gz QBSCOGIHPYJTNP-KGLIPLIRSA-N 1 3 321.425 2.034 20 5 DEBDHO C[C@@H]([NH2+]CCn1ccc([N+](=O)[O-])n1)[C@H]1CCCN(C2CCC2)C1 ZINC000185682916 356209342 /nfs/dbraw/zinc/20/93/42/356209342.db2.gz QBSCOGIHPYJTNP-KGLIPLIRSA-N 1 3 321.425 2.034 20 5 DEBDHO O=[N+]([O-])c1cccc(OCCN2CCC([C@@H]3CC[NH2+]C3)CC2)c1 ZINC000357092841 147040702 /nfs/dbraw/zinc/04/07/02/147040702.db2.gz XRRVYOXHSGRBMV-OAHLLOKOSA-N 1 3 319.405 2.295 20 5 DEBDHO Cc1ccc(CNCC2(O)CC[NH+](C(C)C)CC2)cc1[N+](=O)[O-] ZINC000268418504 403081485 /nfs/dbraw/zinc/08/14/85/403081485.db2.gz KMSMTKNEEWJYGX-UHFFFAOYSA-N 1 3 321.421 2.228 20 5 DEBDHO C[C@H](CC(=O)Nc1cccc([N+](=O)[O-])c1)NCC[C@H]1CCC[NH2+]1 ZINC000414907797 404763823 /nfs/dbraw/zinc/76/38/23/404763823.db2.gz RCMLUJKKSUYAKW-CHWSQXEVSA-N 1 3 320.393 2.044 20 5 DEBDHO CC(C)[NH2+]CCCN[C@@H]1CCCC[C@H]1n1ccc([N+](=O)[O-])n1 ZINC000568499463 292344895 /nfs/dbraw/zinc/34/48/95/292344895.db2.gz CQJRRWILHIUULL-ZIAGYGMSSA-N 1 3 309.414 2.253 20 5 DEBDHO COc1ccc([N+](=O)[O-])cc1CN1CCC[C@@H]([C@H]2CC[NH2+]C2)C1 ZINC000420344231 405326951 /nfs/dbraw/zinc/32/69/51/405326951.db2.gz SEVIPROSHNBCKB-UONOGXRCSA-N 1 3 319.405 2.425 20 5 DEBDHO C[C@H](C[NH2+][C@H]1CCCC[C@H]1n1ccc([N+](=O)[O-])n1)CN(C)C ZINC000425943682 405332044 /nfs/dbraw/zinc/33/20/44/405332044.db2.gz JOVMFHOBMSAFNG-HZSPNIEDSA-N 1 3 309.414 2.062 20 5 DEBDHO Cc1cc([N+](=O)[O-])ccc1NC(=O)CCN(C)CC(C)(C)C[NH3+] ZINC000430559237 405457205 /nfs/dbraw/zinc/45/72/05/405457205.db2.gz CCVMPWKWBXNAAE-UHFFFAOYSA-N 1 3 322.409 2.149 20 5 DEBDHO Cc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@@H+](C)CC(C)(C)CN ZINC000430559237 405457207 /nfs/dbraw/zinc/45/72/07/405457207.db2.gz CCVMPWKWBXNAAE-UHFFFAOYSA-N 1 3 322.409 2.149 20 5 DEBDHO Cc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@H+](C)CC(C)(C)CN ZINC000430559237 405457210 /nfs/dbraw/zinc/45/72/10/405457210.db2.gz CCVMPWKWBXNAAE-UHFFFAOYSA-N 1 3 322.409 2.149 20 5 DEBDHO COc1ccc(C[NH2+][C@@H]2C[C@H](C)N(C)C[C@@H]2C)cc1[N+](=O)[O-] ZINC000358027393 536898949 /nfs/dbraw/zinc/89/89/49/536898949.db2.gz RBIADXIJEULZCW-SGMGOOAPSA-N 1 3 307.394 2.422 20 5 DEBDHO Cc1ccc([N+](=O)[O-])cc1[C@H](C)N1CCC(O)(C[NH+](C)C)CC1 ZINC000931482809 694408808 /nfs/dbraw/zinc/40/88/08/694408808.db2.gz OVPRNRNHGWDCRP-AWEZNQCLSA-N 1 3 321.421 2.353 20 5 DEBDHO COc1ccc(C[C@@H](C)[N@H+](C)CCCN(C)C)c([N+](=O)[O-])c1 ZINC001170329328 786910579 /nfs/dbraw/zinc/91/05/79/786910579.db2.gz ONOPJQBKPGDTIG-CYBMUJFWSA-N 1 3 309.410 2.418 20 5 DEBDHO COc1ccc(C[C@@H](C)[N@@H+](C)CCCN(C)C)c([N+](=O)[O-])c1 ZINC001170329328 786910582 /nfs/dbraw/zinc/91/05/82/786910582.db2.gz ONOPJQBKPGDTIG-CYBMUJFWSA-N 1 3 309.410 2.418 20 5 DEBDHO O=[N+]([O-])c1cc2c(cc1NC[C@]1(F)CCCC[NH2+]C1)CNC2 ZINC001162583601 799124181 /nfs/dbraw/zinc/12/41/81/799124181.db2.gz PWUGULBQKIEAAY-HNNXBMFYSA-N 1 3 308.357 2.092 20 5 DEBDHO O=[N+]([O-])c1cc2c(cc1NCc1ccc3c(c1)CC[NH2+]C3)CNC2 ZINC001162810393 799182254 /nfs/dbraw/zinc/18/22/54/799182254.db2.gz SHMPAQRWLAGDBX-UHFFFAOYSA-N 1 3 324.384 2.456 20 5 DEBDHO C[NH2+]CCC1CCN(CCOc2ccccc2[N+](=O)[O-])CC1 ZINC000261971292 145248614 /nfs/dbraw/zinc/24/86/14/145248614.db2.gz DEEMLGNTDJRJPP-UHFFFAOYSA-N 1 3 307.394 2.295 20 5 DEBDHO C[C@@H]([NH2+]CCCCN1CCN(C)CC1)c1ccc([N+](=O)[O-])cc1 ZINC000154420828 402212117 /nfs/dbraw/zinc/21/21/17/402212117.db2.gz HDDDWENCMYFAAN-OAHLLOKOSA-N 1 3 320.437 2.273 20 5 DEBDHO C[C@@H](CC(=O)Nc1cccc([N+](=O)[O-])c1)NCC[C@H]1CCC[NH2+]1 ZINC000414907799 404763759 /nfs/dbraw/zinc/76/37/59/404763759.db2.gz RCMLUJKKSUYAKW-QWHCGFSZSA-N 1 3 320.393 2.044 20 5 DEBDHO C[C@H](CC(=O)Nc1ccc([N+](=O)[O-])cc1)NCCC[NH2+]C1CC1 ZINC000423527406 405843673 /nfs/dbraw/zinc/84/36/73/405843673.db2.gz MJIONSSMYFIJGR-GFCCVEGCSA-N 1 3 320.393 2.044 20 5 DEBDHO C[C@H](CC(=O)Nc1ccc([N+](=O)[O-])cc1)[NH2+]CCCNC1CC1 ZINC000423527406 405843681 /nfs/dbraw/zinc/84/36/81/405843681.db2.gz MJIONSSMYFIJGR-GFCCVEGCSA-N 1 3 320.393 2.044 20 5 DEBDHO CCN(C)C[C@H](O)C[N@@H+]1CCC[C@H](c2ccc([N+](=O)[O-])cc2)C1 ZINC000570940168 406459827 /nfs/dbraw/zinc/45/98/27/406459827.db2.gz QHQOATCMWYMZSR-RDJZCZTQSA-N 1 3 321.421 2.087 20 5 DEBDHO CCN(C)C[C@H](O)C[N@H+]1CCC[C@H](c2ccc([N+](=O)[O-])cc2)C1 ZINC000570940168 406459832 /nfs/dbraw/zinc/45/98/32/406459832.db2.gz QHQOATCMWYMZSR-RDJZCZTQSA-N 1 3 321.421 2.087 20 5 DEBDHO [NH3+]CCCN(C[C@@H](O)c1cccc([N+](=O)[O-])c1)CC1CCCC1 ZINC000923351848 637134062 /nfs/dbraw/zinc/13/40/62/637134062.db2.gz CEZLULOLZXQECX-QGZVFWFLSA-N 1 3 321.421 2.469 20 5 DEBDHO CCN1CC[C@H]([N@H+](C)C[C@@H](O)c2ccc([N+](=O)[O-])cc2)C[C@H]1C ZINC000776277572 642152665 /nfs/dbraw/zinc/15/26/65/642152665.db2.gz OCZAULQMLLJGQO-XOKHGSTOSA-N 1 3 321.421 2.433 20 5 DEBDHO CCN1CC[C@H]([N@@H+](C)C[C@@H](O)c2ccc([N+](=O)[O-])cc2)C[C@H]1C ZINC000776277572 642152667 /nfs/dbraw/zinc/15/26/67/642152667.db2.gz OCZAULQMLLJGQO-XOKHGSTOSA-N 1 3 321.421 2.433 20 5 DEBDHO O=[N+]([O-])c1ccc(N2CCN(CC[C@H]3CCC[NH2+]C3)CC2)cc1 ZINC000842471163 650747801 /nfs/dbraw/zinc/74/78/01/650747801.db2.gz GYVBOROZHKCJOA-OAHLLOKOSA-N 1 3 318.421 2.107 20 5 DEBDHO C[C@H]([NH2+]C[C@H](O)c1cccc([N+](=O)[O-])c1)C(C)(C)CN(C)C ZINC000819101562 647583862 /nfs/dbraw/zinc/58/38/62/647583862.db2.gz BDATZWFAHLTXTL-WFASDCNBSA-N 1 3 309.410 2.194 20 5 DEBDHO C[C@@H](C[NH2+]C1CC(n2cc([N+](=O)[O-])cn2)C1)CN1CCCCC1 ZINC000876949491 689981002 /nfs/dbraw/zinc/98/10/02/689981002.db2.gz WYNGPKFTAVVQLB-NFOMZHRRSA-N 1 3 321.425 2.206 20 5 DEBDHO CC(C)CN(Cc1cn(C)nc1[N+](=O)[O-])CC1CC[NH+](C)CC1 ZINC000877767813 690220032 /nfs/dbraw/zinc/22/00/32/690220032.db2.gz WGYRDSINUZVTSC-UHFFFAOYSA-N 1 3 323.441 2.128 20 5 DEBDHO O=[N+]([O-])c1ccn([C@H]2CCCC[C@H]2[NH2+]CCCNC2CC2)n1 ZINC000423547370 285169633 /nfs/dbraw/zinc/16/96/33/285169633.db2.gz GBAKSJUHRGEIQT-KGLIPLIRSA-N 1 3 307.398 2.007 20 5 DEBDHO O=[N+]([O-])c1ccn([C@H]2CCCC[C@H]2NCCC[NH2+]C2CC2)n1 ZINC000423547370 285169637 /nfs/dbraw/zinc/16/96/37/285169637.db2.gz GBAKSJUHRGEIQT-KGLIPLIRSA-N 1 3 307.398 2.007 20 5 DEBDHO C[C@@H]([NH2+]CCN1CCN(C)C(C)(C)C1)c1ccc([N+](=O)[O-])cc1 ZINC000282154437 403127758 /nfs/dbraw/zinc/12/77/58/403127758.db2.gz CYTFKDMBKCEBSL-CQSZACIVSA-N 1 3 320.437 2.271 20 5 DEBDHO O=[N+]([O-])c1ccccc1OCCN1CCC[C@H]([C@H]2CC[NH2+]C2)C1 ZINC000420321033 405318731 /nfs/dbraw/zinc/31/87/31/405318731.db2.gz CDSBSIPYVHJSRP-GJZGRUSLSA-N 1 3 319.405 2.295 20 5 DEBDHO O=[N+]([O-])c1ccn([C@H]2CCCC[C@H]2[NH2+]CCCN2CCCC2)n1 ZINC000447519445 405416899 /nfs/dbraw/zinc/41/68/99/405416899.db2.gz YNALITKOGDJPDG-CABCVRRESA-N 1 3 321.425 2.351 20 5 DEBDHO O=[N+]([O-])c1ccn([C@H]2CCCC[C@H]2NCCC[NH+]2CCCC2)n1 ZINC000447519445 405416901 /nfs/dbraw/zinc/41/69/01/405416901.db2.gz YNALITKOGDJPDG-CABCVRRESA-N 1 3 321.425 2.351 20 5 DEBDHO C[C@H](c1cccc([N+](=O)[O-])c1)N1CCC2(CO[C@@H](C[NH3+])C2)CC1 ZINC000923455013 637186542 /nfs/dbraw/zinc/18/65/42/637186542.db2.gz RUTBZHCPDGNULH-CZUORRHYSA-N 1 3 319.405 2.486 20 5 DEBDHO C[C@@H](NCc1ccc(C[NH3+])cc1)c1ccc(N)c([N+](=O)[O-])c1 ZINC000843343619 650953578 /nfs/dbraw/zinc/95/35/78/650953578.db2.gz BDDGBSXFONNTED-LLVKDONJSA-N 1 3 300.362 2.487 20 5 DEBDHO C[C@H]([NH2+]C[C@@H](O)c1cccc([N+](=O)[O-])c1)C(C)(C)CN(C)C ZINC000819101561 647584075 /nfs/dbraw/zinc/58/40/75/647584075.db2.gz BDATZWFAHLTXTL-SWLSCSKDSA-N 1 3 309.410 2.194 20 5 DEBDHO CCC[N@H+](CC)C[C@H](C)NC1CC(n2cc([N+](=O)[O-])cn2)C1 ZINC000877543031 690146505 /nfs/dbraw/zinc/14/65/05/690146505.db2.gz VMIJNRKRZMALPY-HSBZDZAISA-N 1 3 309.414 2.205 20 5 DEBDHO CCC[N@@H+](CC)C[C@H](C)NC1CC(n2cc([N+](=O)[O-])cn2)C1 ZINC000877543031 690146509 /nfs/dbraw/zinc/14/65/09/690146509.db2.gz VMIJNRKRZMALPY-HSBZDZAISA-N 1 3 309.414 2.205 20 5 DEBDHO COc1ccc(C[C@@H](C)NC[C@H]2CCC[NH2+]C2)c([N+](=O)[O-])c1 ZINC001246198288 1140872094 /nfs/dbraw/zinc/87/20/94/1140872094.db2.gz ORCXGUHUKCQHPW-OLZOCXBDSA-N 1 3 307.394 2.124 20 5 DEBDHO CN(CCN(C)C1CC[NH+](C)CC1)Cc1ccc([N+](=O)[O-])cc1 ZINC000177374002 402395409 /nfs/dbraw/zinc/39/54/09/402395409.db2.gz COARJETTZWYEPK-UHFFFAOYSA-N 1 3 320.437 2.053 20 5 DEBDHO C[NH+](C)CCC1CCN(C[C@@H](O)c2cccc([N+](=O)[O-])c2)CC1 ZINC000269645896 403153375 /nfs/dbraw/zinc/15/33/75/403153375.db2.gz KXYQLLTXMFQMRC-QGZVFWFLSA-N 1 3 321.421 2.292 20 5 DEBDHO C/C(=C\c1cccc([N+](=O)[O-])c1)C[NH2+]CC1(O)CCN(C)CC1 ZINC000344790526 404369900 /nfs/dbraw/zinc/36/99/00/404369900.db2.gz JIKVIHZQDYBXJV-GXDHUFHOSA-N 1 3 319.405 2.044 20 5 DEBDHO CCCC[C@@H](C[NH3+])N[C@@H](C)CC(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000414813859 404740073 /nfs/dbraw/zinc/74/00/73/404740073.db2.gz NADJDCRIWBKCHM-JSGCOSHPSA-N 1 3 322.409 2.419 20 5 DEBDHO O=[N+]([O-])c1ccn([C@@H]2CCCC[C@@H]2[NH2+]CCCN2CCCC2)n1 ZINC000447519448 405416600 /nfs/dbraw/zinc/41/66/00/405416600.db2.gz YNALITKOGDJPDG-LSDHHAIUSA-N 1 3 321.425 2.351 20 5 DEBDHO O=[N+]([O-])c1ccn([C@@H]2CCCC[C@@H]2NCCC[NH+]2CCCC2)n1 ZINC000447519448 405416602 /nfs/dbraw/zinc/41/66/02/405416602.db2.gz YNALITKOGDJPDG-LSDHHAIUSA-N 1 3 321.425 2.351 20 5 DEBDHO CC[NH2+]CC1CCN(CCOc2ccc([N+](=O)[O-])cc2)CC1 ZINC000430567313 528290049 /nfs/dbraw/zinc/29/00/49/528290049.db2.gz UTLHVZHPNBVKBD-UHFFFAOYSA-N 1 3 307.394 2.295 20 5 DEBDHO CC(C)(C[NH3+])C1CCN(C[C@@H](O)c2cccc([N+](=O)[O-])c2)CC1 ZINC000903791162 643456422 /nfs/dbraw/zinc/45/64/22/643456422.db2.gz PKHBRXIAKWLSIE-MRXNPFEDSA-N 1 3 321.421 2.325 20 5 DEBDHO CCN1C[C@@H]2C[N@H+]([C@@H](C)Cc3ccc([N+](=O)[O-])cc3)C[C@@H]2C1 ZINC001173238397 793656977 /nfs/dbraw/zinc/65/69/77/793656977.db2.gz RFHYBMOTIPLDDW-CWRNSKLLSA-N 1 3 303.406 2.409 20 5 DEBDHO CCN1C[C@@H]2C[N@@H+]([C@@H](C)Cc3ccc([N+](=O)[O-])cc3)C[C@@H]2C1 ZINC001173238397 793656978 /nfs/dbraw/zinc/65/69/78/793656978.db2.gz RFHYBMOTIPLDDW-CWRNSKLLSA-N 1 3 303.406 2.409 20 5 DEBDHO CC1([NH3+])CCN(C2CCN(c3ccc([N+](=O)[O-])cc3)CC2)CC1 ZINC001254469225 1143128890 /nfs/dbraw/zinc/12/88/90/1143128890.db2.gz IFZAHMLACNUZOS-UHFFFAOYSA-N 1 3 318.421 2.377 20 5 DEBDHO Cc1ncc([N+](=O)[O-])n1CCN1CCC(CCC[NH+](C)C)CC1 ZINC000602795839 360559243 /nfs/dbraw/zinc/55/92/43/360559243.db2.gz APFRNQFYXGSKMW-UHFFFAOYSA-N 1 3 323.441 2.154 20 5 DEBDHO Cc1ncc([N+](=O)[O-])n1CCN1CCC(C[N@@H+](C)C(C)C)CC1 ZINC000602773571 360546679 /nfs/dbraw/zinc/54/66/79/360546679.db2.gz RWYQODGFKWLCIL-UHFFFAOYSA-N 1 3 323.441 2.152 20 5 DEBDHO Cc1ncc([N+](=O)[O-])n1CCN1CCC(C[N@H+](C)C(C)C)CC1 ZINC000602773571 360546684 /nfs/dbraw/zinc/54/66/84/360546684.db2.gz RWYQODGFKWLCIL-UHFFFAOYSA-N 1 3 323.441 2.152 20 5 DEBDHO O=[N+]([O-])c1ccc(CCN2CCC([C@H]3CC[NH2+]C3)CC2)cc1 ZINC000357088618 147039369 /nfs/dbraw/zinc/03/93/69/147039369.db2.gz SYPGIPLYHNYILY-INIZCTEOSA-N 1 3 303.406 2.459 20 5 DEBDHO C[C@H](c1ccccc1[N+](=O)[O-])N1CCC([C@@H]2OCC[C@H]2[NH3+])CC1 ZINC000420336926 405324367 /nfs/dbraw/zinc/32/43/67/405324367.db2.gz QPBHICQYNOLVQS-VMGRFDJRSA-N 1 3 319.405 2.484 20 5 DEBDHO COc1ccc([N+](=O)[O-])cc1CN1CCC[C@H]([C@H]2CC[NH2+]C2)C1 ZINC000420344229 405327032 /nfs/dbraw/zinc/32/70/32/405327032.db2.gz SEVIPROSHNBCKB-KBPBESRZSA-N 1 3 319.405 2.425 20 5 DEBDHO C[C@@H](CC[NH2+]C1CCN(c2ccc([N+](=O)[O-])cc2)CC1)N(C)C ZINC000895296808 637900936 /nfs/dbraw/zinc/90/09/36/637900936.db2.gz QQYBLSHSPVAAMA-AWEZNQCLSA-N 1 3 320.437 2.493 20 5 DEBDHO CN1CC2(C1)CC[NH+]([C@H]1Cc3ccc([N+](=O)[O-])cc3C1)CC2 ZINC001254609257 1143280173 /nfs/dbraw/zinc/28/01/73/1143280173.db2.gz UQRQIQMKHLEYCM-INIZCTEOSA-N 1 3 301.390 2.090 20 5 DEBDHO CCN1CCN(CCC[NH2+][C@H](C)c2cccc([N+](=O)[O-])c2)CC1 ZINC000173319057 186176188 /nfs/dbraw/zinc/17/61/88/186176188.db2.gz MQNKXWDZVBRRSJ-OAHLLOKOSA-N 1 3 320.437 2.273 20 5 DEBDHO [NH3+]C1(CN[C@@H]2CCCC[C@@H]2n2ccc([N+](=O)[O-])n2)CCCC1 ZINC000596648238 358732198 /nfs/dbraw/zinc/73/21/98/358732198.db2.gz MXZWERZSNWKPSR-OLZOCXBDSA-N 1 3 307.398 2.136 20 5 DEBDHO O=[N+]([O-])c1ccccc1N1CCN(CCC2CC[NH2+]CC2)CC1 ZINC000359193354 285163573 /nfs/dbraw/zinc/16/35/73/285163573.db2.gz QUWHNVIESMFART-UHFFFAOYSA-N 1 3 318.421 2.107 20 5 DEBDHO O=[N+]([O-])c1ccc(OCCN2CCC([C@H]3CC[NH2+]C3)CC2)cc1 ZINC000357094483 147041161 /nfs/dbraw/zinc/04/11/61/147041161.db2.gz YGSSISNBSBOLGR-HNNXBMFYSA-N 1 3 319.405 2.295 20 5 DEBDHO COc1ccc(CN2CCC[C@@H]([C@H]3CC[NH2+]C3)C2)cc1[N+](=O)[O-] ZINC000414779559 404732473 /nfs/dbraw/zinc/73/24/73/404732473.db2.gz KKNJHBDTIASNQY-LSDHHAIUSA-N 1 3 319.405 2.425 20 5 DEBDHO COc1ccc(CN2CCC3(CC[NH2+]C3)CC2)cc1[N+](=O)[O-] ZINC000430951824 405543991 /nfs/dbraw/zinc/54/39/91/405543991.db2.gz WLQKUOVIEHWTFO-UHFFFAOYSA-N 1 3 305.378 2.179 20 5 DEBDHO O=[N+]([O-])c1ccn([C@@H]2CCCC[C@@H]2[NH2+]C[C@H]2CCCCCN2)n1 ZINC000902482396 643057304 /nfs/dbraw/zinc/05/73/04/643057304.db2.gz KQQMTQQRUGIXSP-QLFBSQMISA-N 1 3 321.425 2.397 20 5 DEBDHO CN(C)[C@@H]1CCC[C@H]([NH2+]C[C@H](O)c2ccc([N+](=O)[O-])cc2)C1 ZINC000819133356 647589659 /nfs/dbraw/zinc/58/96/59/647589659.db2.gz OOQRZMUFKVDIBZ-IMJJTQAJSA-N 1 3 307.394 2.091 20 5 DEBDHO CCN1CCC[C@H]1CNC(=[NH2+])NCc1cccc([N+](=O)[O-])c1C ZINC000849092691 651600664 /nfs/dbraw/zinc/60/06/64/651600664.db2.gz AAXFIDFORBKLGX-AWEZNQCLSA-N 1 3 319.409 2.001 20 5 DEBDHO COc1ccc(C[C@H](C)NC[C@@H]2CCC[NH2+]C2)c([N+](=O)[O-])c1 ZINC001246198289 1140872375 /nfs/dbraw/zinc/87/23/75/1140872375.db2.gz ORCXGUHUKCQHPW-QWHCGFSZSA-N 1 3 307.394 2.124 20 5 DEBDHO C[C@@H](NCCn1cc([N+](=O)[O-])cn1)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000185695755 356210512 /nfs/dbraw/zinc/21/05/12/356210512.db2.gz UDRKYFOSIHYLMI-ZIAGYGMSSA-N 1 3 321.425 2.034 20 5 DEBDHO C[C@@H](NCCn1cc([N+](=O)[O-])cn1)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC000185695755 356210514 /nfs/dbraw/zinc/21/05/14/356210514.db2.gz UDRKYFOSIHYLMI-ZIAGYGMSSA-N 1 3 321.425 2.034 20 5 DEBDHO C[C@@H]([NH2+]CCn1cc([N+](=O)[O-])cn1)[C@@H]1CCCN(C2CCC2)C1 ZINC000185695755 356210516 /nfs/dbraw/zinc/21/05/16/356210516.db2.gz UDRKYFOSIHYLMI-ZIAGYGMSSA-N 1 3 321.425 2.034 20 5 DEBDHO C[C@H]1CCCN(CCOc2cccc([N+](=O)[O-])c2)[C@@H]1CC[NH3+] ZINC000593730831 358132810 /nfs/dbraw/zinc/13/28/10/358132810.db2.gz HZWHYUBPRODLLZ-XJKSGUPXSA-N 1 3 307.394 2.423 20 5 DEBDHO C[C@H](CC(=O)Nc1ccc([N+](=O)[O-])cc1)[NH2+]CC1(N)CCCC1 ZINC000596648227 358732135 /nfs/dbraw/zinc/73/21/35/358732135.db2.gz MNSBLXNWMIQBCN-GFCCVEGCSA-N 1 3 320.393 2.173 20 5 DEBDHO COc1cc(C[NH2+]CC[C@H]2CCC[NH2+]CC2)c([N+](=O)[O-])cc1[O-] ZINC001579152807 1067244398 /nfs/dbraw/zinc/24/43/98/1067244398.db2.gz IQECRFIBHJRIOP-LBPRGKRZSA-N 1 3 323.393 2.178 20 5 DEBDHO CCCN1C[C@@H]2C[N@H+]([C@@H]3Cc4ccc([N+](=O)[O-])cc4C3)C[C@@H]2C1 ZINC001254610521 1143282715 /nfs/dbraw/zinc/28/27/15/1143282715.db2.gz KLFCFTGZIHRVPP-SOLBZPMBSA-N 1 3 315.417 2.336 20 5 DEBDHO CCCN1C[C@@H]2C[N@@H+]([C@@H]3Cc4ccc([N+](=O)[O-])cc4C3)C[C@@H]2C1 ZINC001254610521 1143282731 /nfs/dbraw/zinc/28/27/31/1143282731.db2.gz KLFCFTGZIHRVPP-SOLBZPMBSA-N 1 3 315.417 2.336 20 5 DEBDHO CCC[N@H+]1C[C@H]2CN([C@@H]3Cc4ccc([N+](=O)[O-])cc4C3)C[C@H]2C1 ZINC001254610521 1143282750 /nfs/dbraw/zinc/28/27/50/1143282750.db2.gz KLFCFTGZIHRVPP-SOLBZPMBSA-N 1 3 315.417 2.336 20 5 DEBDHO CCC[N@@H+]1C[C@H]2CN([C@@H]3Cc4ccc([N+](=O)[O-])cc4C3)C[C@H]2C1 ZINC001254610521 1143282771 /nfs/dbraw/zinc/28/27/71/1143282771.db2.gz KLFCFTGZIHRVPP-SOLBZPMBSA-N 1 3 315.417 2.336 20 5 DEBDHO COc1cc(CN[C@@H](C)CCCC[NH3+])c([N+](=O)[O-])cc1OC ZINC000415008663 404787260 /nfs/dbraw/zinc/78/72/60/404787260.db2.gz DFGANFYPWMVFIX-NSHDSACASA-N 1 3 311.382 2.219 20 5 DEBDHO C[C@H](NCCn1ccc([N+](=O)[O-])n1)[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC000185682899 333211798 /nfs/dbraw/zinc/21/17/98/333211798.db2.gz QBSCOGIHPYJTNP-KBPBESRZSA-N 1 3 321.425 2.034 20 5 DEBDHO C[C@H](NCCn1ccc([N+](=O)[O-])n1)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC000185682899 333211800 /nfs/dbraw/zinc/21/18/00/333211800.db2.gz QBSCOGIHPYJTNP-KBPBESRZSA-N 1 3 321.425 2.034 20 5 DEBDHO C[C@H]([NH2+]CCn1ccc([N+](=O)[O-])n1)[C@H]1CCCN(C2CCC2)C1 ZINC000185682899 333211801 /nfs/dbraw/zinc/21/18/01/333211801.db2.gz QBSCOGIHPYJTNP-KBPBESRZSA-N 1 3 321.425 2.034 20 5 DEBDHO C[C@H](NCCN1CCC([NH+](C)C)CC1)c1cccc([N+](=O)[O-])c1 ZINC000160149699 525348862 /nfs/dbraw/zinc/34/88/62/525348862.db2.gz HMXLTAYVCQOCRC-AWEZNQCLSA-N 1 3 320.437 2.271 20 5 DEBDHO O=[N+]([O-])c1cccc([C@H](O)CN2CCC([C@H]3CCC[NH2+]3)CC2)c1 ZINC000923364788 637138019 /nfs/dbraw/zinc/13/80/19/637138019.db2.gz OJXWWFLLJDBJLW-IAGOWNOFSA-N 1 3 319.405 2.092 20 5 DEBDHO [NH3+]CCCCCCN1CCN(c2ccc([N+](=O)[O-])cc2)CC1 ZINC000846218512 651315774 /nfs/dbraw/zinc/31/57/74/651315774.db2.gz WAWJABFLNZAHBQ-UHFFFAOYSA-N 1 3 306.410 2.236 20 5 DEBDHO Cc1ccc(C[NH2+]C2CCN(CC(C)(C)O)CC2)cc1[N+](=O)[O-] ZINC000877729881 690207022 /nfs/dbraw/zinc/20/70/22/690207022.db2.gz DTWQCCCYNHRFOT-UHFFFAOYSA-N 1 3 321.421 2.228 20 5 DEBDHO CCC1([NH3+])CCN([C@@H]2CCCC[C@@H]2n2ccc([N+](=O)[O-])n2)CC1 ZINC000925757141 693336446 /nfs/dbraw/zinc/33/64/46/693336446.db2.gz CZGVJFUHZGQPRE-KGLIPLIRSA-N 1 3 321.425 2.478 20 5 DEBDHO CC[N+](C)(C)Cc1ccccc1NCCCN1CCN(C)CC1 ZINC001161708907 783292705 /nfs/dbraw/zinc/29/27/05/783292705.db2.gz XCQRFGIAWHRBMI-UHFFFAOYSA-N 1 3 319.517 2.332 20 5 DEBDHO C[C@H](CN)C[N@H+](C)C1CCN(c2ccc([N+](=O)[O-])cc2)CC1 ZINC001254470156 1143130083 /nfs/dbraw/zinc/13/00/83/1143130083.db2.gz QBNSTSBVXZLHGI-CYBMUJFWSA-N 1 3 306.410 2.090 20 5 DEBDHO C[C@H](CN)C[N@@H+](C)C1CCN(c2ccc([N+](=O)[O-])cc2)CC1 ZINC001254470156 1143130087 /nfs/dbraw/zinc/13/00/87/1143130087.db2.gz QBNSTSBVXZLHGI-CYBMUJFWSA-N 1 3 306.410 2.090 20 5 DEBDHO C[C@H](NCCn1cc([N+](=O)[O-])cn1)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000185695739 356210411 /nfs/dbraw/zinc/21/04/11/356210411.db2.gz UDRKYFOSIHYLMI-UONOGXRCSA-N 1 3 321.425 2.034 20 5 DEBDHO C[C@H](NCCn1cc([N+](=O)[O-])cn1)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC000185695739 356210412 /nfs/dbraw/zinc/21/04/12/356210412.db2.gz UDRKYFOSIHYLMI-UONOGXRCSA-N 1 3 321.425 2.034 20 5 DEBDHO C[C@H]([NH2+]CCn1cc([N+](=O)[O-])cn1)[C@@H]1CCCN(C2CCC2)C1 ZINC000185695739 356210413 /nfs/dbraw/zinc/21/04/13/356210413.db2.gz UDRKYFOSIHYLMI-UONOGXRCSA-N 1 3 321.425 2.034 20 5 DEBDHO C[C@H](CC(=O)Nc1ccc([N+](=O)[O-])cc1)N[C@@H]1CCC[NH2+]CC1 ZINC000591578335 357738481 /nfs/dbraw/zinc/73/84/81/357738481.db2.gz RIFSCICYUJPBKR-CHWSQXEVSA-N 1 3 320.393 2.044 20 5 DEBDHO CCN(CCOc1ccccc1[N+](=O)[O-])[C@@H]1CCC[NH2+]CC1 ZINC000435615168 404995629 /nfs/dbraw/zinc/99/56/29/404995629.db2.gz GVBQOGNOEQVWBE-CQSZACIVSA-N 1 3 307.394 2.438 20 5 DEBDHO O=[N+]([O-])c1ccccc1OCCN1CCC[C@H]([C@@H]2CC[NH2+]C2)C1 ZINC000420321032 405318441 /nfs/dbraw/zinc/31/84/41/405318441.db2.gz CDSBSIPYVHJSRP-CABCVRRESA-N 1 3 319.405 2.295 20 5 DEBDHO C[C@H](C[NH2+][C@H]1CCCC[C@@H]1n1ccc([N+](=O)[O-])n1)CN(C)C ZINC000425943685 278210701 /nfs/dbraw/zinc/21/07/01/278210701.db2.gz JOVMFHOBMSAFNG-RDBSUJKOSA-N 1 3 309.414 2.062 20 5 DEBDHO [NH3+][C@@H]1CCCO[C@@H]1C1CCN(Cc2ccc([N+](=O)[O-])cc2)CC1 ZINC000415130125 295302696 /nfs/dbraw/zinc/30/26/96/295302696.db2.gz QLMYSJDMSRITDK-IAGOWNOFSA-N 1 3 319.405 2.313 20 5 DEBDHO C[C@@H](CC(=O)Nc1ccc([N+](=O)[O-])cc1)NCC[C@H](C)[NH+](C)C ZINC000895292297 637896541 /nfs/dbraw/zinc/89/65/41/637896541.db2.gz AXVXLDLNFHDVFB-STQMWFEESA-N 1 3 322.409 2.242 20 5 DEBDHO C[C@@H](CC(=O)Nc1ccc([N+](=O)[O-])cc1)[NH2+]CC[C@H](C)N(C)C ZINC000895292297 637896546 /nfs/dbraw/zinc/89/65/46/637896546.db2.gz AXVXLDLNFHDVFB-STQMWFEESA-N 1 3 322.409 2.242 20 5 DEBDHO Cn1cc(CNCCC(C)(C)[NH3+])c(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000903939150 643508024 /nfs/dbraw/zinc/50/80/24/643508024.db2.gz RPBVCASJHQIASS-UHFFFAOYSA-N 1 3 317.393 2.212 20 5 DEBDHO C[NH+]1CCC(CN2CCN(c3cccc([N+](=O)[O-])c3)CC2)CC1 ZINC000788475737 643614503 /nfs/dbraw/zinc/61/45/03/643614503.db2.gz VPAXGLTVAWFSIZ-UHFFFAOYSA-N 1 3 318.421 2.059 20 5 DEBDHO CCCCN1CCC([NH2+]C[C@H](O)c2ccc([N+](=O)[O-])cc2)CC1 ZINC000819043997 647570813 /nfs/dbraw/zinc/57/08/13/647570813.db2.gz XDHDPIQTEYQGRI-KRWDZBQOSA-N 1 3 321.421 2.482 20 5 DEBDHO C[NH2+]CCC1CCN(CCOc2cccc([N+](=O)[O-])c2)CC1 ZINC000262009387 145253174 /nfs/dbraw/zinc/25/31/74/145253174.db2.gz SRKJHUWLSCMKNC-UHFFFAOYSA-N 1 3 307.394 2.295 20 5 DEBDHO CCN1CCN(CCC[NH2+][C@H](C)c2ccc([N+](=O)[O-])cc2)CC1 ZINC000154311009 402205502 /nfs/dbraw/zinc/20/55/02/402205502.db2.gz QYKIJTOQRMAMDE-OAHLLOKOSA-N 1 3 320.437 2.273 20 5 DEBDHO CCN(CCOc1cccc([N+](=O)[O-])c1)[C@@H]1CCC[NH2+]CC1 ZINC000435631045 404998718 /nfs/dbraw/zinc/99/87/18/404998718.db2.gz ZNLNGNASHWTCAU-CQSZACIVSA-N 1 3 307.394 2.438 20 5 DEBDHO O=[N+]([O-])c1cccc(N2CCN(CC[C@H]3CCC[NH2+]C3)CC2)c1 ZINC000420308114 405313540 /nfs/dbraw/zinc/31/35/40/405313540.db2.gz CLFYEDOJCFTYMB-OAHLLOKOSA-N 1 3 318.421 2.107 20 5 DEBDHO Cc1cc([N+](=O)[O-])ccc1NC(=O)CCN[C@@](C)(C[NH3+])C(C)C ZINC000430588344 405462461 /nfs/dbraw/zinc/46/24/61/405462461.db2.gz DJCKRADBSXSRQW-INIZCTEOSA-N 1 3 322.409 2.195 20 5 DEBDHO C[C@@H]1C[C@H]([NH2+][C@@H]2CCCC[C@H]2n2ccc([N+](=O)[O-])n2)CCN1 ZINC000423371200 405779570 /nfs/dbraw/zinc/77/95/70/405779570.db2.gz FDAJAYFEGKJNAM-AAVRWANBSA-N 1 3 307.398 2.005 20 5 DEBDHO C[C@@H]1C[C@H](N[C@@H]2CCCC[C@H]2n2ccc([N+](=O)[O-])n2)CC[NH2+]1 ZINC000423371200 405779575 /nfs/dbraw/zinc/77/95/75/405779575.db2.gz FDAJAYFEGKJNAM-AAVRWANBSA-N 1 3 307.398 2.005 20 5 DEBDHO C[C@H]1C[C@H]([NH2+]C2CCN(c3ccc([N+](=O)[O-])cc3)CC2)CCN1 ZINC000841062199 650418831 /nfs/dbraw/zinc/41/88/31/650418831.db2.gz SWXYYCFWRWRRLG-DZGCQCFKSA-N 1 3 318.421 2.294 20 5 DEBDHO O=[N+]([O-])c1ccc(N2CCC([NH2+][C@@H]3C[C@H]4CC[C@@H]3N4)CC2)cc1 ZINC000902475331 643042372 /nfs/dbraw/zinc/04/23/72/643042372.db2.gz IKJAIUNICIDOBZ-XOKHGSTOSA-N 1 3 316.405 2.046 20 5 DEBDHO O=[N+]([O-])c1ncccc1CN1CCC[C@H]([C@H]2CCC[NH2+]C2)C1 ZINC000886838270 692207099 /nfs/dbraw/zinc/20/70/99/692207099.db2.gz URCUXYYNYNRZAV-KBPBESRZSA-N 1 3 304.394 2.201 20 5 DEBDHO O=[N+]([O-])c1ncccc1CN1CCC[C@@H]([C@@H]2CCC[NH2+]C2)C1 ZINC000886838273 692207123 /nfs/dbraw/zinc/20/71/23/692207123.db2.gz URCUXYYNYNRZAV-ZIAGYGMSSA-N 1 3 304.394 2.201 20 5 DEBDHO [NH3+]CCCN(C[C@@H](O)c1ccc([N+](=O)[O-])cc1)CC1CCCC1 ZINC001580297248 1075897159 /nfs/dbraw/zinc/89/71/59/1075897159.db2.gz MZMHRSCEBPAXJY-QGZVFWFLSA-N 1 3 321.421 2.469 20 5 DEBDHO COc1ccc(C[C@@H](C)NC[C@@H]2CCC[NH2+]C2)c([N+](=O)[O-])c1 ZINC001246198287 1140872205 /nfs/dbraw/zinc/87/22/05/1140872205.db2.gz ORCXGUHUKCQHPW-CHWSQXEVSA-N 1 3 307.394 2.124 20 5 DEBDHO [NH3+][C@H]1CCCN(C2CCN(c3ccc([N+](=O)[O-])cc3)CC2)CC1 ZINC001246540544 1140943782 /nfs/dbraw/zinc/94/37/82/1140943782.db2.gz GYQSKTYIUJTTPF-AWEZNQCLSA-N 1 3 318.421 2.377 20 5 DEBDHO C[NH+]1CCC2(CN([C@@H]3Cc4ccc([N+](=O)[O-])cc4C3)C2)CC1 ZINC001254606892 1143278218 /nfs/dbraw/zinc/27/82/18/1143278218.db2.gz JEFVXYNWDHNKTM-MRXNPFEDSA-N 1 3 301.390 2.090 20 5 DEBDHO C[C@@H](CC(=O)Nc1cccc([N+](=O)[O-])c1)N[C@H]1CCC[NH2+]CC1 ZINC000591278466 357699453 /nfs/dbraw/zinc/69/94/53/357699453.db2.gz DOZRZROTXSQCAI-STQMWFEESA-N 1 3 320.393 2.044 20 5 DEBDHO C[C@@H](CC(=O)Nc1ccc([N+](=O)[O-])cc1)N[C@H]1CCC[NH2+]CC1 ZINC000591578338 357737718 /nfs/dbraw/zinc/73/77/18/357737718.db2.gz RIFSCICYUJPBKR-STQMWFEESA-N 1 3 320.393 2.044 20 5 DEBDHO C[C@@H](CC(=O)Nc1cccc([N+](=O)[O-])c1)[NH2+]CC1(N)CCCC1 ZINC000594738637 358330565 /nfs/dbraw/zinc/33/05/65/358330565.db2.gz JAKPGHHLKYLEPY-LBPRGKRZSA-N 1 3 320.393 2.173 20 5 DEBDHO O=[N+]([O-])c1ccccc1OCCN1CCC([C@H]2CC[NH2+]C2)CC1 ZINC000357078120 285164250 /nfs/dbraw/zinc/16/42/50/285164250.db2.gz BDAICAVDFRKVIN-HNNXBMFYSA-N 1 3 319.405 2.295 20 5 DEBDHO O=[N+]([O-])c1ccc(CCN2CCC([C@@H]3CC[NH2+]C3)CC2)cc1 ZINC000357088620 147038995 /nfs/dbraw/zinc/03/89/95/147038995.db2.gz SYPGIPLYHNYILY-MRXNPFEDSA-N 1 3 303.406 2.459 20 5 DEBDHO C[C@H](c1ccccc1[N+](=O)[O-])N(C)CCCN(C)CC[NH+](C)C ZINC000344059337 403882802 /nfs/dbraw/zinc/88/28/02/403882802.db2.gz LPXOXYJPMUTLLS-OAHLLOKOSA-N 1 3 322.453 2.471 20 5 DEBDHO CCCC[N@H+](C)CC1CCN(CCn2cc([N+](=O)[O-])cn2)CC1 ZINC000350166935 404338693 /nfs/dbraw/zinc/33/86/93/404338693.db2.gz VNQRJDIPQAAIMQ-UHFFFAOYSA-N 1 3 323.441 2.235 20 5 DEBDHO CCCC[N@@H+](C)CC1CCN(CCn2cc([N+](=O)[O-])cn2)CC1 ZINC000350166935 404338698 /nfs/dbraw/zinc/33/86/98/404338698.db2.gz VNQRJDIPQAAIMQ-UHFFFAOYSA-N 1 3 323.441 2.235 20 5 DEBDHO C[C@H](CC(=O)Nc1cccc([N+](=O)[O-])c1)N[C@@H]1CC[NH2+][C@H](C)C1 ZINC000414956249 404775572 /nfs/dbraw/zinc/77/55/72/404775572.db2.gz VBYAHBJUGGXLME-YRGRVCCFSA-N 1 3 320.393 2.042 20 5 DEBDHO C[C@H](CC(=O)Nc1cccc([N+](=O)[O-])c1)[NH2+][C@@H]1CCN[C@H](C)C1 ZINC000414956249 404775574 /nfs/dbraw/zinc/77/55/74/404775574.db2.gz VBYAHBJUGGXLME-YRGRVCCFSA-N 1 3 320.393 2.042 20 5 DEBDHO C[C@@H](CC(=O)Nc1ccc([N+](=O)[O-])cc1)NCCC[NH2+]C1CC1 ZINC000423527407 405843696 /nfs/dbraw/zinc/84/36/96/405843696.db2.gz MJIONSSMYFIJGR-LBPRGKRZSA-N 1 3 320.393 2.044 20 5 DEBDHO C[C@@H](CC(=O)Nc1ccc([N+](=O)[O-])cc1)[NH2+]CCCNC1CC1 ZINC000423527407 405843699 /nfs/dbraw/zinc/84/36/99/405843699.db2.gz MJIONSSMYFIJGR-LBPRGKRZSA-N 1 3 320.393 2.044 20 5 DEBDHO C[C@H]1C[C@H](CN2CCN(c3ccccc3[N+](=O)[O-])CC2)CC[NH2+]1 ZINC000414678435 274620417 /nfs/dbraw/zinc/62/04/17/274620417.db2.gz XWSNPHNFPXXUAD-LSDHHAIUSA-N 1 3 318.421 2.105 20 5 DEBDHO COc1ccc(C[NH2+][C@@H]2C[C@@H](C)N(C)C[C@H]2C)cc1[N+](=O)[O-] ZINC000358027394 536898923 /nfs/dbraw/zinc/89/89/23/536898923.db2.gz RBIADXIJEULZCW-YRGRVCCFSA-N 1 3 307.394 2.422 20 5 DEBDHO COc1ccc(C[C@H](C)N[C@@H]2CCC[C@H]([NH3+])C2)c([N+](=O)[O-])c1 ZINC001170299133 786893791 /nfs/dbraw/zinc/89/37/91/786893791.db2.gz QPNDBCXVIQSYSC-FPMFFAJLSA-N 1 3 307.394 2.394 20 5 DEBDHO CN1CC2(C1)CC[NH+]([C@@H]1Cc3ccc([N+](=O)[O-])cc3C1)CC2 ZINC001254609258 1143279553 /nfs/dbraw/zinc/27/95/53/1143279553.db2.gz UQRQIQMKHLEYCM-MRXNPFEDSA-N 1 3 301.390 2.090 20 5 DEBDHO CN1CCC[C@@]2(CC[N@H+](CCOc3cccc([N+](=O)[O-])c3)C2)C1 ZINC000293045218 530059443 /nfs/dbraw/zinc/05/94/43/530059443.db2.gz STBZFHZIWKLQGI-QGZVFWFLSA-N 1 3 319.405 2.391 20 5 DEBDHO CN1CCC[C@@]2(CC[N@@H+](CCOc3cccc([N+](=O)[O-])c3)C2)C1 ZINC000293045218 530059444 /nfs/dbraw/zinc/05/94/44/530059444.db2.gz STBZFHZIWKLQGI-QGZVFWFLSA-N 1 3 319.405 2.391 20 5 DEBDHO C[C@H](CC(=O)Nc1cccc([N+](=O)[O-])c1)[NH2+]CC1(N)CCCC1 ZINC000594738636 358330236 /nfs/dbraw/zinc/33/02/36/358330236.db2.gz JAKPGHHLKYLEPY-GFCCVEGCSA-N 1 3 320.393 2.173 20 5 DEBDHO Cc1c(CN(C)CCC[N@@H+](C)CCN(C)C)cccc1[N+](=O)[O-] ZINC000288795660 403770678 /nfs/dbraw/zinc/77/06/78/403770678.db2.gz CPULKYZMVVHIBB-UHFFFAOYSA-N 1 3 322.453 2.219 20 5 DEBDHO Cc1c(CN(C)CCC[N@H+](C)CCN(C)C)cccc1[N+](=O)[O-] ZINC000288795660 403770683 /nfs/dbraw/zinc/77/06/83/403770683.db2.gz CPULKYZMVVHIBB-UHFFFAOYSA-N 1 3 322.453 2.219 20 5 DEBDHO CCCC[C@H](C[NH3+])N[C@@H](C)CC(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000414813856 404740102 /nfs/dbraw/zinc/74/01/02/404740102.db2.gz NADJDCRIWBKCHM-GXTWGEPZSA-N 1 3 322.409 2.419 20 5 DEBDHO CCC(N)(CC)C[NH2+][C@@H](C)CC(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000414815310 404740953 /nfs/dbraw/zinc/74/09/53/404740953.db2.gz XDECVYOWZCKMIU-LBPRGKRZSA-N 1 3 322.409 2.419 20 5 DEBDHO CC(C)C[C@H](C[NH3+])N[C@H](C)CC(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000414835202 404744266 /nfs/dbraw/zinc/74/42/66/404744266.db2.gz HKAUTIZGWDFUJL-TZMCWYRMSA-N 1 3 322.409 2.275 20 5 DEBDHO C[C@H]1C[C@@H](CN2CCN(c3cccc([N+](=O)[O-])c3)CC2)CC[NH2+]1 ZINC000414696504 404710715 /nfs/dbraw/zinc/71/07/15/404710715.db2.gz GCPQYBDLXJJKKY-GJZGRUSLSA-N 1 3 318.421 2.105 20 5 DEBDHO COc1ccc([N+](=O)[O-])cc1CN1CCC2(CC[NH2+]C2)CC1 ZINC000431041811 405566780 /nfs/dbraw/zinc/56/67/80/405566780.db2.gz ZNXVUWMUMOVHLY-UHFFFAOYSA-N 1 3 305.378 2.179 20 5 DEBDHO CCC[N@H+](CCOc1ccccc1[N+](=O)[O-])C1CCNCC1 ZINC000431073636 405572221 /nfs/dbraw/zinc/57/22/21/405572221.db2.gz ZHGXEIIQQMMPRZ-UHFFFAOYSA-N 1 3 307.394 2.438 20 5 DEBDHO CCC[N@@H+](CCOc1ccccc1[N+](=O)[O-])C1CCNCC1 ZINC000431073636 405572225 /nfs/dbraw/zinc/57/22/25/405572225.db2.gz ZHGXEIIQQMMPRZ-UHFFFAOYSA-N 1 3 307.394 2.438 20 5 DEBDHO C[C@]1(C[NH2+][C@H]2CCCC[C@H]2n2ccc([N+](=O)[O-])n2)CCCNC1 ZINC000423344742 405769280 /nfs/dbraw/zinc/76/92/80/405769280.db2.gz ONCBBLVSPWZIHZ-LZWOXQAQSA-N 1 3 321.425 2.254 20 5 DEBDHO C[C@]1(CN[C@H]2CCCC[C@H]2n2ccc([N+](=O)[O-])n2)CCC[NH2+]C1 ZINC000423344742 405769285 /nfs/dbraw/zinc/76/92/85/405769285.db2.gz ONCBBLVSPWZIHZ-LZWOXQAQSA-N 1 3 321.425 2.254 20 5 DEBDHO CC[NH+](CC)C[C@H]1CCCC[C@@H]1NCCn1cc([N+](=O)[O-])cn1 ZINC000348362963 535592984 /nfs/dbraw/zinc/59/29/84/535592984.db2.gz DGVLDFKLIHKZBS-ZBFHGGJFSA-N 1 3 323.441 2.282 20 5 DEBDHO CCN(CC)C[C@H]1CCCC[C@@H]1[NH2+]CCn1cc([N+](=O)[O-])cn1 ZINC000348362963 535592987 /nfs/dbraw/zinc/59/29/87/535592987.db2.gz DGVLDFKLIHKZBS-ZBFHGGJFSA-N 1 3 323.441 2.282 20 5 DEBDHO C[C@@H]1C[C@H]([NH2+]C2CCN(c3ccc([N+](=O)[O-])cc3)CC2)CCN1 ZINC000841062201 650418786 /nfs/dbraw/zinc/41/87/86/650418786.db2.gz SWXYYCFWRWRRLG-UKRRQHHQSA-N 1 3 318.421 2.294 20 5 DEBDHO COc1cc(CN2C[C@@H](C)[C@H](CC[NH3+])C2)c([N+](=O)[O-])cc1OC ZINC000903976815 643532851 /nfs/dbraw/zinc/53/28/51/643532851.db2.gz BTGONPYNZJMQJN-VXGBXAGGSA-N 1 3 323.393 2.029 20 5 DEBDHO C[C@H]([NH2+]C[C@H](C)N1CCN(C)CC1)c1c(F)cccc1[N+](=O)[O-] ZINC000872034957 688917168 /nfs/dbraw/zinc/91/71/68/688917168.db2.gz SKBDJBHPIIXEOT-STQMWFEESA-N 1 3 324.400 2.020 20 5 DEBDHO CC[NH+]1CCC(CNCc2nc3cc([N+](=O)[O-])ccc3[nH]2)CC1 ZINC001205551172 800374921 /nfs/dbraw/zinc/37/49/21/800374921.db2.gz MPMUUPXTOTVWNB-UHFFFAOYSA-N 1 3 317.393 2.293 20 5 DEBDHO COc1ccc(OCCN2CCC([C@H](C)[NH3+])CC2)c([N+](=O)[O-])c1 ZINC000430962080 237534351 /nfs/dbraw/zinc/53/43/51/237534351.db2.gz PHDVZVIGFBWSBV-LBPRGKRZSA-N 1 3 323.393 2.041 20 5 DEBDHO C[C@H](CC(=O)Nc1ccc([N+](=O)[O-])cc1)N[C@H]1CCC[NH2+]CC1 ZINC000591578336 357737596 /nfs/dbraw/zinc/73/75/96/357737596.db2.gz RIFSCICYUJPBKR-OLZOCXBDSA-N 1 3 320.393 2.044 20 5 DEBDHO COc1c([O-])ccc(C[NH2+]C2CCC([NH+](C)C)CC2)c1[N+](=O)[O-] ZINC000894979758 637355713 /nfs/dbraw/zinc/35/57/13/637355713.db2.gz ZWGGCIYBNUFKJS-UHFFFAOYSA-N 1 3 323.393 2.271 20 5 DEBDHO C[C@@H]1CC[NH2+]C[C@@H]1NC1CCN(c2ccc([N+](=O)[O-])cc2)CC1 ZINC000841058033 650416976 /nfs/dbraw/zinc/41/69/76/650416976.db2.gz FRRVVNKJNNIRDF-DYVFJYSZSA-N 1 3 318.421 2.151 20 5 DEBDHO O=[N+]([O-])c1ccn([C@@H]2CCCC[C@H]2[NH2+]C[C@H]2CCCCCN2)n1 ZINC000902482397 643056797 /nfs/dbraw/zinc/05/67/97/643056797.db2.gz KQQMTQQRUGIXSP-RBSFLKMASA-N 1 3 321.425 2.397 20 5 DEBDHO O=[N+]([O-])c1cccc([C@H](O)C[NH2+]C2CCN(CC3CC3)CC2)c1 ZINC000818967044 647551981 /nfs/dbraw/zinc/55/19/81/647551981.db2.gz QILFTQQNIVNODA-QGZVFWFLSA-N 1 3 319.405 2.092 20 5 DEBDHO C[C@@H]([NH2+]C[C@@H](C)N1CCN(C)CC1)c1c(F)cccc1[N+](=O)[O-] ZINC000872034954 688916843 /nfs/dbraw/zinc/91/68/43/688916843.db2.gz SKBDJBHPIIXEOT-CHWSQXEVSA-N 1 3 324.400 2.020 20 5 DEBDHO Cc1c(CNCC2(O)CC[NH+](C(C)C)CC2)cccc1[N+](=O)[O-] ZINC000873078257 689155308 /nfs/dbraw/zinc/15/53/08/689155308.db2.gz KQEVVOHKQBPNRR-UHFFFAOYSA-N 1 3 321.421 2.228 20 5 DEBDHO Cc1ccc([N+](=O)[O-])cc1[C@@H](C)N1CCC(O)(C[NH+](C)C)CC1 ZINC000931482810 694408663 /nfs/dbraw/zinc/40/86/63/694408663.db2.gz OVPRNRNHGWDCRP-CQSZACIVSA-N 1 3 321.421 2.353 20 5 DEBDHO CCC1([NH3+])CCN([C@H]2CCCC[C@@H]2n2ccc([N+](=O)[O-])n2)CC1 ZINC000925757140 693336363 /nfs/dbraw/zinc/33/63/63/693336363.db2.gz CZGVJFUHZGQPRE-KBPBESRZSA-N 1 3 321.425 2.478 20 5 DEBDHO N=C(NCCCC[NH3+])Nc1ncnc2cc3ccccc3cc21 ZINC001167881209 778744768 /nfs/dbraw/zinc/74/47/68/778744768.db2.gz YDEZBJCZOBEUEQ-UHFFFAOYSA-N 1 3 308.389 2.458 20 5 DEBDHO C[C@H]1C[NH2+]CCC[C@@H]1CNc1cc2c(cc1[N+](=O)[O-])CNC2 ZINC001162467609 799095510 /nfs/dbraw/zinc/09/55/10/799095510.db2.gz REXXFYSCEJXIDV-NWDGAFQWSA-N 1 3 304.394 2.246 20 5 DEBDHO O=[N+]([O-])c1cccc(OCCN2CCC([C@H]3CC[NH2+]C3)CC2)c1 ZINC000357092839 147040415 /nfs/dbraw/zinc/04/04/15/147040415.db2.gz XRRVYOXHSGRBMV-HNNXBMFYSA-N 1 3 319.405 2.295 20 5 DEBDHO [NH3+][C@@H]1CCC[C@@H]2CN(CCOc3ccc([N+](=O)[O-])cc3)C[C@@H]21 ZINC000342094235 404362405 /nfs/dbraw/zinc/36/24/05/404362405.db2.gz FCPFXOJZLLDNOA-UHOFOFEASA-N 1 3 305.378 2.033 20 5 DEBDHO Cc1c(NC(=O)CCN(C)CC(C)(C)C[NH3+])cccc1[N+](=O)[O-] ZINC000430573423 405459295 /nfs/dbraw/zinc/45/92/95/405459295.db2.gz QYOSNFMOQQCNDN-UHFFFAOYSA-N 1 3 322.409 2.149 20 5 DEBDHO Cc1c(NC(=O)CC[N@@H+](C)CC(C)(C)CN)cccc1[N+](=O)[O-] ZINC000430573423 405459296 /nfs/dbraw/zinc/45/92/96/405459296.db2.gz QYOSNFMOQQCNDN-UHFFFAOYSA-N 1 3 322.409 2.149 20 5 DEBDHO Cc1c(NC(=O)CC[N@H+](C)CC(C)(C)CN)cccc1[N+](=O)[O-] ZINC000430573423 405459300 /nfs/dbraw/zinc/45/93/00/405459300.db2.gz QYOSNFMOQQCNDN-UHFFFAOYSA-N 1 3 322.409 2.149 20 5 DEBDHO COc1ccc(OCCN2CCC([C@@H](C)[NH3+])CC2)c([N+](=O)[O-])c1 ZINC000430962079 405547309 /nfs/dbraw/zinc/54/73/09/405547309.db2.gz PHDVZVIGFBWSBV-GFCCVEGCSA-N 1 3 323.393 2.041 20 5 DEBDHO CCCN(CCOc1cccc([N+](=O)[O-])c1)C1CC[NH2+]CC1 ZINC000431071178 405572477 /nfs/dbraw/zinc/57/24/77/405572477.db2.gz OFEYIJMTXPRSFC-UHFFFAOYSA-N 1 3 307.394 2.438 20 5 DEBDHO CCC[N@H+](CCOc1cccc([N+](=O)[O-])c1)C1CCNCC1 ZINC000431071178 405572484 /nfs/dbraw/zinc/57/24/84/405572484.db2.gz OFEYIJMTXPRSFC-UHFFFAOYSA-N 1 3 307.394 2.438 20 5 DEBDHO CCC[N@@H+](CCOc1cccc([N+](=O)[O-])c1)C1CCNCC1 ZINC000431071178 405572490 /nfs/dbraw/zinc/57/24/90/405572490.db2.gz OFEYIJMTXPRSFC-UHFFFAOYSA-N 1 3 307.394 2.438 20 5 DEBDHO CCC([NH3+])(CC)CN[C@@H]1CCCC[C@@H]1n1ccc([N+](=O)[O-])n1 ZINC000423288852 405750198 /nfs/dbraw/zinc/75/01/98/405750198.db2.gz VKRQGYKFHUKPKO-OLZOCXBDSA-N 1 3 309.414 2.382 20 5 DEBDHO C[C@@H](CC(=O)Nc1ccc([N+](=O)[O-])cc1)N[C@@H]1CC[NH2+][C@H](C)C1 ZINC000423384522 405785617 /nfs/dbraw/zinc/78/56/17/405785617.db2.gz QIUYUFYIMCERQU-MBNYWOFBSA-N 1 3 320.393 2.042 20 5 DEBDHO C[C@@H](CC(=O)Nc1ccc([N+](=O)[O-])cc1)[NH2+][C@@H]1CCN[C@H](C)C1 ZINC000423384522 405785621 /nfs/dbraw/zinc/78/56/21/405785621.db2.gz QIUYUFYIMCERQU-MBNYWOFBSA-N 1 3 320.393 2.042 20 5 DEBDHO C[C@@H](C[NH2+][C@@H](C)CC(=O)Nc1cccc([N+](=O)[O-])c1)CN(C)C ZINC000293369508 278283896 /nfs/dbraw/zinc/28/38/96/278283896.db2.gz HUZSDELDJQIHHR-STQMWFEESA-N 1 3 322.409 2.099 20 5 DEBDHO C[C@@H](CN[C@@H](C)CC(=O)Nc1cccc([N+](=O)[O-])c1)C[NH+](C)C ZINC000293369508 278283898 /nfs/dbraw/zinc/28/38/98/278283898.db2.gz HUZSDELDJQIHHR-STQMWFEESA-N 1 3 322.409 2.099 20 5 DEBDHO CC[NH+](CC)C[C@H]1CCCC[C@H]1NCCn1ccc([N+](=O)[O-])n1 ZINC000348398737 535594267 /nfs/dbraw/zinc/59/42/67/535594267.db2.gz UAOCXVMBEHDWSV-HUUCEWRRSA-N 1 3 323.441 2.282 20 5 DEBDHO CCN(CC)C[C@H]1CCCC[C@H]1[NH2+]CCn1ccc([N+](=O)[O-])n1 ZINC000348398737 535594269 /nfs/dbraw/zinc/59/42/69/535594269.db2.gz UAOCXVMBEHDWSV-HUUCEWRRSA-N 1 3 323.441 2.282 20 5 DEBDHO O=[N+]([O-])c1ccc(N2CCC([NH2+]CCCNC3CC3)CC2)cc1 ZINC000841089149 650428089 /nfs/dbraw/zinc/42/80/89/650428089.db2.gz FPEGKIYAALSXLW-UHFFFAOYSA-N 1 3 318.421 2.295 20 5 DEBDHO Cc1cccc([N+](=O)[O-])c1NC(=O)CN(C)C1CCC([NH3+])CC1 ZINC000843353645 650955862 /nfs/dbraw/zinc/95/58/62/650955862.db2.gz GGRCAOXHTBOMJN-UHFFFAOYSA-N 1 3 320.393 2.043 20 5 DEBDHO O=[N+]([O-])c1ncccc1CN1CCC[C@@H](C2CC[NH2+]CC2)C1 ZINC000886841696 692208042 /nfs/dbraw/zinc/20/80/42/692208042.db2.gz SMJWIRGCAMLYMU-CQSZACIVSA-N 1 3 304.394 2.201 20 5 DEBDHO C[C@H]1C[NH2+]CCC[C@H]1CNc1cc2c(cc1[N+](=O)[O-])CNC2 ZINC001162467610 799094940 /nfs/dbraw/zinc/09/49/40/799094940.db2.gz REXXFYSCEJXIDV-RYUDHWBXSA-N 1 3 304.394 2.246 20 5 DEBDHO C[C@H](NCCn1cc([N+](=O)[O-])cn1)[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC000185695773 356210177 /nfs/dbraw/zinc/21/01/77/356210177.db2.gz UDRKYFOSIHYLMI-KBPBESRZSA-N 1 3 321.425 2.034 20 5 DEBDHO C[C@H](NCCn1cc([N+](=O)[O-])cn1)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC000185695773 356210180 /nfs/dbraw/zinc/21/01/80/356210180.db2.gz UDRKYFOSIHYLMI-KBPBESRZSA-N 1 3 321.425 2.034 20 5 DEBDHO C[C@H]([NH2+]CCn1cc([N+](=O)[O-])cn1)[C@H]1CCCN(C2CCC2)C1 ZINC000185695773 356210184 /nfs/dbraw/zinc/21/01/84/356210184.db2.gz UDRKYFOSIHYLMI-KBPBESRZSA-N 1 3 321.425 2.034 20 5 DEBDHO COc1ccc([N+](=O)[O-])cc1CN[C@@H]1CC[C@H]2C[NH2+]C[C@@H]2C1 ZINC000592469633 357882390 /nfs/dbraw/zinc/88/23/90/357882390.db2.gz XKZBNISXYMIOAJ-SGMGOOAPSA-N 1 3 305.378 2.081 20 5 DEBDHO Cc1cc([N+](=O)[O-])ccc1CN1CCC([C@@H]2OCC[C@H]2[NH3+])CC1 ZINC000414780316 404733266 /nfs/dbraw/zinc/73/32/66/404733266.db2.gz SSDOPCFHHLXGMM-SJORKVTESA-N 1 3 319.405 2.231 20 5 DEBDHO COc1cc(CNCC[C@@H]2CCC[NH2+]C2)c([N+](=O)[O-])cc1OC ZINC000414855673 404749268 /nfs/dbraw/zinc/74/92/68/404749268.db2.gz XENGBAOHHQVZLU-LBPRGKRZSA-N 1 3 323.393 2.091 20 5 DEBDHO C[C@H]1C[C@H](CN2CCN(c3cccc([N+](=O)[O-])c3)CC2)CC[NH2+]1 ZINC000414696506 404710609 /nfs/dbraw/zinc/71/06/09/404710609.db2.gz GCPQYBDLXJJKKY-LSDHHAIUSA-N 1 3 318.421 2.105 20 5 DEBDHO CCC([NH3+])(CC)CN[C@H]1CCCC[C@@H]1n1ccc([N+](=O)[O-])n1 ZINC000423288854 405750124 /nfs/dbraw/zinc/75/01/24/405750124.db2.gz VKRQGYKFHUKPKO-STQMWFEESA-N 1 3 309.414 2.382 20 5 DEBDHO O=[N+]([O-])c1ccn([C@H]2CCCC[C@@H]2[NH2+]CCCNC2CC2)n1 ZINC000423547361 275040492 /nfs/dbraw/zinc/04/04/92/275040492.db2.gz GBAKSJUHRGEIQT-KBPBESRZSA-N 1 3 307.398 2.007 20 5 DEBDHO O=[N+]([O-])c1ccn([C@H]2CCCC[C@@H]2NCCC[NH2+]C2CC2)n1 ZINC000423547361 275040495 /nfs/dbraw/zinc/04/04/95/275040495.db2.gz GBAKSJUHRGEIQT-KBPBESRZSA-N 1 3 307.398 2.007 20 5 DEBDHO C[C@H](c1ccccc1[N+](=O)[O-])N1CCC2(CO[C@@H](C[NH3+])C2)CC1 ZINC000923449713 637188673 /nfs/dbraw/zinc/18/86/73/637188673.db2.gz QEEGWVSXQKTSBC-ZIAGYGMSSA-N 1 3 319.405 2.486 20 5 DEBDHO O=[N+]([O-])c1ccc([C@H](O)C[NH2+]C2CCN(CC3CC3)CC2)cc1 ZINC000765845582 640823928 /nfs/dbraw/zinc/82/39/28/640823928.db2.gz QUMQPLVXLDBAFZ-QGZVFWFLSA-N 1 3 319.405 2.092 20 5 DEBDHO O=[N+]([O-])c1ccc(N2CCC([NH2+][C@@H]3C[C@@H]4CC[C@H]3N4)CC2)cc1 ZINC000902465996 643049660 /nfs/dbraw/zinc/04/96/60/643049660.db2.gz IKJAIUNICIDOBZ-IAOVAPTHSA-N 1 3 316.405 2.046 20 5 DEBDHO CCCCN1CCC([NH2+]C[C@@H](O)c2cccc([N+](=O)[O-])c2)CC1 ZINC000819043040 647571037 /nfs/dbraw/zinc/57/10/37/647571037.db2.gz OXQQTLOHLOOJTP-QGZVFWFLSA-N 1 3 321.421 2.482 20 5 DEBDHO CC(C)C[C@@H](C[NH3+])NC(=O)C(C)(C)c1ccc([N+](=O)[O-])cc1 ZINC000565652021 292175174 /nfs/dbraw/zinc/17/51/74/292175174.db2.gz CMPKOTRYCDABRO-ZDUSSCGKSA-N 1 3 307.394 2.362 20 5 DEBDHO CCCC[N@H+](C)CC1CCN(CCn2ccc([N+](=O)[O-])n2)CC1 ZINC000176243313 402293973 /nfs/dbraw/zinc/29/39/73/402293973.db2.gz UTVKPJFKTBXTLQ-UHFFFAOYSA-N 1 3 323.441 2.235 20 5 DEBDHO CCCC[N@@H+](C)CC1CCN(CCn2ccc([N+](=O)[O-])n2)CC1 ZINC000176243313 402293975 /nfs/dbraw/zinc/29/39/75/402293975.db2.gz UTVKPJFKTBXTLQ-UHFFFAOYSA-N 1 3 323.441 2.235 20 5 DEBDHO CC(C)C[C@H](C[NH3+])N[C@@H](C)CC(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000414835199 404744458 /nfs/dbraw/zinc/74/44/58/404744458.db2.gz HKAUTIZGWDFUJL-GXTWGEPZSA-N 1 3 322.409 2.275 20 5 DEBDHO [NH3+]C[C@@H]1CC[C@H](NCc2cc([N+](=O)[O-])ccc2OC(F)F)C1 ZINC000415029597 404790809 /nfs/dbraw/zinc/79/08/09/404790809.db2.gz DZCQOYPEXREPRH-KOLCDFICSA-N 1 3 315.320 2.413 20 5 DEBDHO CCN(CCOc1ccc([N+](=O)[O-])cc1)[C@@H]1CCC[NH2+]CC1 ZINC000435629479 404998975 /nfs/dbraw/zinc/99/89/75/404998975.db2.gz XQHRHKZFNAFNGI-CQSZACIVSA-N 1 3 307.394 2.438 20 5 DEBDHO O=[N+]([O-])c1ccc(OCCN2CCC([C@@H]3CCC[NH2+]3)CC2)cc1 ZINC000420346145 405327933 /nfs/dbraw/zinc/32/79/33/405327933.db2.gz XNLZBQJEWWTFQQ-KRWDZBQOSA-N 1 3 319.405 2.438 20 5 DEBDHO COc1ccc(CNCC[C@@H]2CCC[N@H+](C)C2)cc1[N+](=O)[O-] ZINC000459734872 406024622 /nfs/dbraw/zinc/02/46/22/406024622.db2.gz OSJCAYLHNBANSL-ZDUSSCGKSA-N 1 3 307.394 2.425 20 5 DEBDHO COc1ccc(CNCC[C@@H]2CCC[N@@H+](C)C2)cc1[N+](=O)[O-] ZINC000459734872 406024628 /nfs/dbraw/zinc/02/46/28/406024628.db2.gz OSJCAYLHNBANSL-ZDUSSCGKSA-N 1 3 307.394 2.425 20 5 DEBDHO C[C@@H](NCCN1CCC([NH+](C)C)CC1)c1ccc([N+](=O)[O-])cc1 ZINC000160258531 278346654 /nfs/dbraw/zinc/34/66/54/278346654.db2.gz AMYUVKAWZALAKZ-CQSZACIVSA-N 1 3 320.437 2.271 20 5 DEBDHO CC[NH+](CC)C[C@H]1CCCC[C@H]1NCCn1cc([N+](=O)[O-])cn1 ZINC000348362960 535594276 /nfs/dbraw/zinc/59/42/76/535594276.db2.gz DGVLDFKLIHKZBS-GDBMZVCRSA-N 1 3 323.441 2.282 20 5 DEBDHO CCN(CC)C[C@H]1CCCC[C@H]1[NH2+]CCn1cc([N+](=O)[O-])cn1 ZINC000348362960 535594278 /nfs/dbraw/zinc/59/42/78/535594278.db2.gz DGVLDFKLIHKZBS-GDBMZVCRSA-N 1 3 323.441 2.282 20 5 DEBDHO C[C@@H]([NH3+])[C@@H]1COCC[C@H]1NC[C@@H](C)c1ccccc1[N+](=O)[O-] ZINC000902429046 643035396 /nfs/dbraw/zinc/03/53/96/643035396.db2.gz JMSFSNQUUFCSOQ-RJZRQDKASA-N 1 3 307.394 2.040 20 5 DEBDHO CC1CCN(CCC[NH2+]C2CC(n3cc([N+](=O)[O-])cn3)C2)CC1 ZINC000876897249 689967319 /nfs/dbraw/zinc/96/73/19/689967319.db2.gz AKFRGFWHGWIQRH-UHFFFAOYSA-N 1 3 321.425 2.206 20 5 DEBDHO COc1ccc(C[C@H](C)N[C@H]2CCC[C@H]([NH3+])C2)c([N+](=O)[O-])c1 ZINC001170318632 786906358 /nfs/dbraw/zinc/90/63/58/786906358.db2.gz QPNDBCXVIQSYSC-UBHSHLNASA-N 1 3 307.394 2.394 20 5 DEBDHO Cc1ccc(CNCCC[N@H+]2CCCN(C)CC2)cc1[N+](=O)[O-] ZINC000237110840 356294510 /nfs/dbraw/zinc/29/45/10/356294510.db2.gz IAFDRWJTGQAMFL-UHFFFAOYSA-N 1 3 320.437 2.020 20 5 DEBDHO Cc1ccc(CNCCC[N@@H+]2CCCN(C)CC2)cc1[N+](=O)[O-] ZINC000237110840 356294514 /nfs/dbraw/zinc/29/45/14/356294514.db2.gz IAFDRWJTGQAMFL-UHFFFAOYSA-N 1 3 320.437 2.020 20 5 DEBDHO [NH3+][C@@H]1CCC[C@@H]2CN(CCOc3cccc([N+](=O)[O-])c3)C[C@@H]21 ZINC000342106096 404371414 /nfs/dbraw/zinc/37/14/14/404371414.db2.gz OSBJGJJOULENJA-UHOFOFEASA-N 1 3 305.378 2.033 20 5 DEBDHO COc1cc(CN(C)C2CCC([NH3+])CC2)c([N+](=O)[O-])cc1OC ZINC000843055827 650879340 /nfs/dbraw/zinc/87/93/40/650879340.db2.gz PNDMMKLMYROKQP-UHFFFAOYSA-N 1 3 323.393 2.314 20 5 DEBDHO Cc1c(CN2CCC(OCC[NH+](C)C)CC2)cccc1[N+](=O)[O-] ZINC000732667088 647638966 /nfs/dbraw/zinc/63/89/66/647638966.db2.gz KLVPONJVOFGBIQ-UHFFFAOYSA-N 1 3 321.421 2.446 20 5 DEBDHO COCCN(Cc1ccc([N+](=O)[O-])cc1)CC1CC[NH+](C)CC1 ZINC000877665031 690182438 /nfs/dbraw/zinc/18/24/38/690182438.db2.gz DHDAXXAICGNQFL-UHFFFAOYSA-N 1 3 321.421 2.385 20 5 DEBDHO COc1ccc(C[C@H](C)NC[C@@H]2C[NH2+]CC[C@H]2C)c([N+](=O)[O-])c1 ZINC001246121903 1140863010 /nfs/dbraw/zinc/86/30/10/1140863010.db2.gz VHLPYHJJPCHWET-IPYPFGDCSA-N 1 3 321.421 2.370 20 5 DEBDHO Cc1ccc([C@@H](C)[NH2+]CC2(O)CCN(C)CC2)cc1[N+](=O)[O-] ZINC000268972139 207135251 /nfs/dbraw/zinc/13/52/51/207135251.db2.gz IFTQYCHQEUNABJ-CYBMUJFWSA-N 1 3 307.394 2.011 20 5 DEBDHO C[C@H]([NH2+]CCN1CCN(C)C(C)(C)C1)c1cccc([N+](=O)[O-])c1 ZINC000282290728 403140427 /nfs/dbraw/zinc/14/04/27/403140427.db2.gz LQZQHAAEPMKZEU-AWEZNQCLSA-N 1 3 320.437 2.271 20 5 DEBDHO C[C@H]([NH2+]C[C@@H]1CCN(C2CC2)C1)c1ccc(N)c([N+](=O)[O-])c1 ZINC000284158177 403250251 /nfs/dbraw/zinc/25/02/51/403250251.db2.gz PRUBWDDFHZOSLH-RYUDHWBXSA-N 1 3 304.394 2.312 20 5 DEBDHO O=[N+]([O-])c1ccccc1OCCN1CCC[C@@H]([C@H]2CC[NH2+]C2)C1 ZINC000420321035 405318878 /nfs/dbraw/zinc/31/88/78/405318878.db2.gz CDSBSIPYVHJSRP-LSDHHAIUSA-N 1 3 319.405 2.295 20 5 DEBDHO Cc1ccc([N+](=O)[O-])cc1NC(=O)CCN[C@@](C)(C[NH3+])C(C)C ZINC000430574903 405460354 /nfs/dbraw/zinc/46/03/54/405460354.db2.gz URDBQGZLWMMSKR-INIZCTEOSA-N 1 3 322.409 2.195 20 5 DEBDHO CCCC[C@H](C[NH3+])N[C@H](C)CC(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000423296488 405752522 /nfs/dbraw/zinc/75/25/22/405752522.db2.gz HALFHFIHBLLYTQ-TZMCWYRMSA-N 1 3 322.409 2.419 20 5 DEBDHO C[C@H](C[NH2+][C@@H]1CCCC[C@@H]1n1ccc([N+](=O)[O-])n1)CN(C)C ZINC000425943683 278209266 /nfs/dbraw/zinc/20/92/66/278209266.db2.gz JOVMFHOBMSAFNG-MCIONIFRSA-N 1 3 309.414 2.062 20 5 DEBDHO O=[N+]([O-])c1ccccc1/C=C/C[NH2+]C[C@@H]1CNCCC1(F)F ZINC000903954290 643529367 /nfs/dbraw/zinc/52/93/67/643529367.db2.gz CMIQGNCVLPQGCC-MASHWEEQSA-N 1 3 311.332 2.442 20 5 DEBDHO CCN1CCN([C@H](C)C[NH2+]Cc2cccc([N+](=O)[O-])c2C)CC1 ZINC000873012509 689140739 /nfs/dbraw/zinc/14/07/39/689140739.db2.gz SIHLILHFOJMCLU-CQSZACIVSA-N 1 3 320.437 2.019 20 5 DEBDHO C[C@H]1C[N@@H+]([C@@H]2CCc3ccc([N+](=O)[O-])cc3CC2)C[C@H]1CN ZINC001246542382 1140947723 /nfs/dbraw/zinc/94/77/23/1140947723.db2.gz OWWJXBBRPZWYEU-APHBMKBZSA-N 1 3 303.406 2.369 20 5 DEBDHO C[C@H]1C[N@H+]([C@@H]2CCc3ccc([N+](=O)[O-])cc3CC2)C[C@H]1CN ZINC001246542382 1140947747 /nfs/dbraw/zinc/94/77/47/1140947747.db2.gz OWWJXBBRPZWYEU-APHBMKBZSA-N 1 3 303.406 2.369 20 5 DEBDHO C[C@@H](NCCn1cc([N+](=O)[O-])cn1)[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC000185695792 356210378 /nfs/dbraw/zinc/21/03/78/356210378.db2.gz UDRKYFOSIHYLMI-KGLIPLIRSA-N 1 3 321.425 2.034 20 5 DEBDHO C[C@@H](NCCn1cc([N+](=O)[O-])cn1)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC000185695792 356210379 /nfs/dbraw/zinc/21/03/79/356210379.db2.gz UDRKYFOSIHYLMI-KGLIPLIRSA-N 1 3 321.425 2.034 20 5 DEBDHO C[C@@H]([NH2+]CCn1cc([N+](=O)[O-])cn1)[C@H]1CCCN(C2CCC2)C1 ZINC000185695792 356210381 /nfs/dbraw/zinc/21/03/81/356210381.db2.gz UDRKYFOSIHYLMI-KGLIPLIRSA-N 1 3 321.425 2.034 20 5 DEBDHO [NH3+][C@@H]1CCO[C@@H]([C@H]2CCCN(Cc3cccc([N+](=O)[O-])c3)C2)C1 ZINC000593314691 358053203 /nfs/dbraw/zinc/05/32/03/358053203.db2.gz FNYVJKWNGVIQPB-ZMSDIMECSA-N 1 3 319.405 2.313 20 5 DEBDHO CCN1CC[C@@H]([NH2+]Cc2ccc(OC)c([N+](=O)[O-])c2)[C@@H](C)C1 ZINC000266059672 205066345 /nfs/dbraw/zinc/06/63/45/205066345.db2.gz AMAPRNRDNLXPFH-GXTWGEPZSA-N 1 3 307.394 2.423 20 5 DEBDHO C/C(=C\c1cccc([N+](=O)[O-])c1)C[NH2+]C[C@H](O)CN1CCCC1 ZINC000344790329 404369655 /nfs/dbraw/zinc/36/96/55/404369655.db2.gz IKWPBWBYYPXOOK-ZGUWOUCSSA-N 1 3 319.405 2.044 20 5 DEBDHO O=[N+]([O-])c1ccc(OC(F)F)c(CNCC[C@@H]2CC[NH2+]C2)c1 ZINC000414840489 404746282 /nfs/dbraw/zinc/74/62/82/404746282.db2.gz XEEPIFFFRYEAIY-JTQLQIEISA-N 1 3 315.320 2.285 20 5 DEBDHO CCOc1ccc([N+](=O)[O-])cc1CNCC1(C)CC[NH2+]CC1 ZINC000414910226 404764601 /nfs/dbraw/zinc/76/46/01/404764601.db2.gz SOCXIIVSBBWJOI-UHFFFAOYSA-N 1 3 307.394 2.473 20 5 DEBDHO [NH3+][C@@H]1CCO[C@H](C2CCN(Cc3ccc([N+](=O)[O-])cc3)CC2)C1 ZINC000415123890 404813233 /nfs/dbraw/zinc/81/32/33/404813233.db2.gz LRLGZOBHJDKGHZ-WBVHZDCISA-N 1 3 319.405 2.313 20 5 DEBDHO C[C@@H](CC(=O)Nc1cccc([N+](=O)[O-])c1)N[C@H]1CC[NH2+][C@H](C)C1 ZINC000414956242 404775194 /nfs/dbraw/zinc/77/51/94/404775194.db2.gz VBYAHBJUGGXLME-DYEKYZERSA-N 1 3 320.393 2.042 20 5 DEBDHO C[C@@H](CC(=O)Nc1cccc([N+](=O)[O-])c1)[NH2+][C@H]1CCN[C@H](C)C1 ZINC000414956242 404775199 /nfs/dbraw/zinc/77/51/99/404775199.db2.gz VBYAHBJUGGXLME-DYEKYZERSA-N 1 3 320.393 2.042 20 5 DEBDHO CC(C)[C@H]([NH3+])CCN(C)CCC(=O)Nc1ccccc1[N+](=O)[O-] ZINC000430573938 405459902 /nfs/dbraw/zinc/45/99/02/405459902.db2.gz NGFTUCGTCWRBAM-CYBMUJFWSA-N 1 3 322.409 2.229 20 5 DEBDHO Cc1cc([N+](=O)[O-])ccc1NC(=O)CCN[C@](C)(C[NH3+])C(C)C ZINC000430588345 405462500 /nfs/dbraw/zinc/46/25/00/405462500.db2.gz DJCKRADBSXSRQW-MRXNPFEDSA-N 1 3 322.409 2.195 20 5 DEBDHO C[C@H](CC(=O)Nc1ccc([N+](=O)[O-])cc1)N[C@@H]1CC[NH2+][C@H](C)C1 ZINC000423384524 405784802 /nfs/dbraw/zinc/78/48/02/405784802.db2.gz QIUYUFYIMCERQU-YRGRVCCFSA-N 1 3 320.393 2.042 20 5 DEBDHO C[C@H](CC(=O)Nc1ccc([N+](=O)[O-])cc1)[NH2+][C@@H]1CCN[C@H](C)C1 ZINC000423384524 405784812 /nfs/dbraw/zinc/78/48/12/405784812.db2.gz QIUYUFYIMCERQU-YRGRVCCFSA-N 1 3 320.393 2.042 20 5 DEBDHO C[C@@H]1CN(Cc2nc3cc([N+](=O)[O-])ccc3o2)C[C@H]1CC[NH3+] ZINC000903496761 643372562 /nfs/dbraw/zinc/37/25/62/643372562.db2.gz BXIREOUHQYEFAX-GHMZBOCLSA-N 1 3 304.350 2.153 20 5 DEBDHO CN(Cc1cc2c(cc1[N+](=O)[O-])OCCO2)C1CCC([NH3+])CC1 ZINC000843055514 650879250 /nfs/dbraw/zinc/87/92/50/650879250.db2.gz DWIOLODVVJYUJH-UHFFFAOYSA-N 1 3 321.377 2.068 20 5 DEBDHO [NH3+][C@@H]1CCO[C@H]([C@@H]2CCCN(Cc3cccc([N+](=O)[O-])c3)C2)C1 ZINC000593314689 358053063 /nfs/dbraw/zinc/05/30/63/358053063.db2.gz FNYVJKWNGVIQPB-INMHGKMJSA-N 1 3 319.405 2.313 20 5 DEBDHO C[C@H](CC(=O)Nc1cccc([N+](=O)[O-])c1)[NH2+]C[C@H](C)CN(C)C ZINC000293369495 403454580 /nfs/dbraw/zinc/45/45/80/403454580.db2.gz HUZSDELDJQIHHR-QWHCGFSZSA-N 1 3 322.409 2.099 20 5 DEBDHO C[C@H](CC(=O)Nc1cccc([N+](=O)[O-])c1)NC[C@H](C)C[NH+](C)C ZINC000293369495 403454582 /nfs/dbraw/zinc/45/45/82/403454582.db2.gz HUZSDELDJQIHHR-QWHCGFSZSA-N 1 3 322.409 2.099 20 5 DEBDHO CC[NH2+]CC1CCN(CCOc2cccc([N+](=O)[O-])c2)CC1 ZINC000430572784 405459563 /nfs/dbraw/zinc/45/95/63/405459563.db2.gz OTVKWQOXMPRXCP-UHFFFAOYSA-N 1 3 307.394 2.295 20 5 DEBDHO C[C@H](N)[C@@H]1COCC[C@H]1[NH2+]CCCCc1ccc([N+](=O)[O-])cc1 ZINC000422921183 230277621 /nfs/dbraw/zinc/27/76/21/230277621.db2.gz NOYRIYQTVIVOOH-RRQGHBQHSA-N 1 3 321.421 2.259 20 5 DEBDHO C[NH+](C)CCOCCN[C@H]1CCCc2ccc([N+](=O)[O-])cc21 ZINC000447603858 276762993 /nfs/dbraw/zinc/76/29/93/276762993.db2.gz ZAAFAFWLUWQTOY-INIZCTEOSA-N 1 3 307.394 2.140 20 5 DEBDHO COc1cc(C[NH2+]CCCC[N@H+](C)C2CC2)c([N+](=O)[O-])cc1[O-] ZINC000453596534 536796491 /nfs/dbraw/zinc/79/64/91/536796491.db2.gz LQMKTRMLKBMFKP-UHFFFAOYSA-N 1 3 323.393 2.273 20 5 DEBDHO COc1cc(C[NH2+]CCCC[N@@H+](C)C2CC2)c([N+](=O)[O-])cc1[O-] ZINC000453596534 536796498 /nfs/dbraw/zinc/79/64/98/536796498.db2.gz LQMKTRMLKBMFKP-UHFFFAOYSA-N 1 3 323.393 2.273 20 5 DEBDHO C[C@H]([NH2+]CCN1CCN(C)C(C)(C)C1)c1ccc([N+](=O)[O-])cc1 ZINC000282154436 403127876 /nfs/dbraw/zinc/12/78/76/403127876.db2.gz CYTFKDMBKCEBSL-AWEZNQCLSA-N 1 3 320.437 2.271 20 5 DEBDHO COc1ccc(CNCC2(C)CC[NH+](C)CC2)cc1[N+](=O)[O-] ZINC000336862592 403936477 /nfs/dbraw/zinc/93/64/77/403936477.db2.gz JTXIRTCZAHEFTO-UHFFFAOYSA-N 1 3 307.394 2.425 20 5 DEBDHO NC1(C[NH2+]CCc2ncc(-c3cccc([N+](=O)[O-])c3)o2)CCC1 ZINC000342130108 404386956 /nfs/dbraw/zinc/38/69/56/404386956.db2.gz LEHNWGQYDRJOHX-UHFFFAOYSA-N 1 3 316.361 2.263 20 5 DEBDHO C[C@H](CC(=O)Nc1cccc([N+](=O)[O-])c1)N[C@@H]1CCC[C@H]([NH3+])C1 ZINC000414921771 404767399 /nfs/dbraw/zinc/76/73/99/404767399.db2.gz FVBSAWUPDFDGMC-FRRDWIJNSA-N 1 3 320.393 2.171 20 5 DEBDHO C[C@H](CC(=O)Nc1cccc([N+](=O)[O-])c1)[NH2+][C@@H]1CCC[C@H](N)C1 ZINC000414921771 404767403 /nfs/dbraw/zinc/76/74/03/404767403.db2.gz FVBSAWUPDFDGMC-FRRDWIJNSA-N 1 3 320.393 2.171 20 5 DEBDHO COc1ccc(CN[C@@H]2C[C@H]2C2CC[NH2+]CC2)cc1[N+](=O)[O-] ZINC000415002420 404785229 /nfs/dbraw/zinc/78/52/29/404785229.db2.gz DIWYZTSSKSBWJX-UONOGXRCSA-N 1 3 305.378 2.081 20 5 DEBDHO CN1CC=C(C[NH2+][C@@H]2CCCC[C@@H]2n2ccc([N+](=O)[O-])n2)CC1 ZINC000447572505 405418267 /nfs/dbraw/zinc/41/82/67/405418267.db2.gz CHKFWIZNOLHTGA-CABCVRRESA-N 1 3 319.409 2.127 20 5 DEBDHO COc1c(O)ccc(CNCC[C@H]2CCC[N@H+](C)C2)c1[N+](=O)[O-] ZINC000894860386 637269654 /nfs/dbraw/zinc/26/96/54/637269654.db2.gz BWRRRIIXYLAQGK-GFCCVEGCSA-N 1 3 323.393 2.131 20 5 DEBDHO COc1c(O)ccc(CNCC[C@H]2CCC[N@@H+](C)C2)c1[N+](=O)[O-] ZINC000894860386 637269656 /nfs/dbraw/zinc/26/96/56/637269656.db2.gz BWRRRIIXYLAQGK-GFCCVEGCSA-N 1 3 323.393 2.131 20 5 DEBDHO C[C@@H]1C[C@@H]([NH2+]C2CCN(c3ccc([N+](=O)[O-])cc3)CC2)CCN1 ZINC000841062200 650418904 /nfs/dbraw/zinc/41/89/04/650418904.db2.gz SWXYYCFWRWRRLG-HIFRSBDPSA-N 1 3 318.421 2.294 20 5 DEBDHO C[C@@H](C[NH2+]C1CCN(c2ccc([N+](=O)[O-])cc2)CC1)CN(C)C ZINC000813877456 646818899 /nfs/dbraw/zinc/81/88/99/646818899.db2.gz WKWZMTXNCPHUKF-AWEZNQCLSA-N 1 3 320.437 2.351 20 5 DEBDHO C[C@@H]([NH2+]C[C@H](O)c1cccc([N+](=O)[O-])c1)C(C)(C)CN(C)C ZINC000819101559 647583364 /nfs/dbraw/zinc/58/33/64/647583364.db2.gz BDATZWFAHLTXTL-DOMZBBRYSA-N 1 3 309.410 2.194 20 5 DEBDHO [NH3+]CCCCCCN1CCN(c2cccc([N+](=O)[O-])c2)CC1 ZINC000846220964 651315881 /nfs/dbraw/zinc/31/58/81/651315881.db2.gz FFZRLYXZVQNOEP-UHFFFAOYSA-N 1 3 306.410 2.236 20 5 DEBDHO C[C@H](CC(=O)Nc1cccc([N+](=O)[O-])c1)N[C@H]1CCC[NH2+]CC1 ZINC000591278464 357699498 /nfs/dbraw/zinc/69/94/98/357699498.db2.gz DOZRZROTXSQCAI-OLZOCXBDSA-N 1 3 320.393 2.044 20 5 DEBDHO O=[N+]([O-])c1ccn([C@@H]2CCCC[C@H]2N[C@@H]2CCC[NH2+]CC2)n1 ZINC000591578378 357738492 /nfs/dbraw/zinc/73/84/92/357738492.db2.gz XMEMTOCBKRFLQY-MGPQQGTHSA-N 1 3 307.398 2.007 20 5 DEBDHO O=[N+]([O-])c1ccn([C@@H]2CCCC[C@H]2[NH2+][C@@H]2CCCNCC2)n1 ZINC000591578378 357738494 /nfs/dbraw/zinc/73/84/94/357738494.db2.gz XMEMTOCBKRFLQY-MGPQQGTHSA-N 1 3 307.398 2.007 20 5 DEBDHO [NH3+][C@@H]1CCO[C@H]([C@H]2CCCN(Cc3cccc([N+](=O)[O-])c3)C2)C1 ZINC000593314690 358053358 /nfs/dbraw/zinc/05/33/58/358053358.db2.gz FNYVJKWNGVIQPB-UXLLHSPISA-N 1 3 319.405 2.313 20 5 DEBDHO O=[N+]([O-])c1ccccc1OCCN1CCC2(C1)CC[NH2+]CC2 ZINC000358508692 147147620 /nfs/dbraw/zinc/14/76/20/147147620.db2.gz LTNUBAWJGSSZFD-UHFFFAOYSA-N 1 3 305.378 2.049 20 5 DEBDHO Cc1cc(NC[C@H](C)C[NH+](C)C)c2cc([N+](=O)[O-])ccc2n1 ZINC000336866331 280300004 /nfs/dbraw/zinc/30/00/04/280300004.db2.gz MAZSDZLUZJYSIO-NSHDSACASA-N 1 3 302.378 2.483 20 5 DEBDHO C[C@H]1CC[NH2+]C[C@H]1NC1CCN(c2ccc([N+](=O)[O-])cc2)CC1 ZINC000841058035 650417004 /nfs/dbraw/zinc/41/70/04/650417004.db2.gz FRRVVNKJNNIRDF-SUMWQHHRSA-N 1 3 318.421 2.151 20 5 DEBDHO O=[N+]([O-])c1ccc(N2CCN(CC[C@@H]3CCC[NH2+]C3)CC2)cc1 ZINC000842471161 650747689 /nfs/dbraw/zinc/74/76/89/650747689.db2.gz GYVBOROZHKCJOA-HNNXBMFYSA-N 1 3 318.421 2.107 20 5 DEBDHO CN1[C@@H]2CC[C@H]1CC([N@H+](C)C[C@@H](O)c1ccc([N+](=O)[O-])cc1)C2 ZINC000796459965 644741401 /nfs/dbraw/zinc/74/14/01/644741401.db2.gz XCKSPWOSBZCIKI-FCLJQHQZSA-N 1 3 319.405 2.185 20 5 DEBDHO CN1[C@@H]2CC[C@H]1CC([N@@H+](C)C[C@@H](O)c1ccc([N+](=O)[O-])cc1)C2 ZINC000796459965 644741408 /nfs/dbraw/zinc/74/14/08/644741408.db2.gz XCKSPWOSBZCIKI-FCLJQHQZSA-N 1 3 319.405 2.185 20 5 DEBDHO C[C@@H]([NH2+]C[C@H](C)N1CCN(C)CC1)c1c(F)cccc1[N+](=O)[O-] ZINC000872034956 688917296 /nfs/dbraw/zinc/91/72/96/688917296.db2.gz SKBDJBHPIIXEOT-QWHCGFSZSA-N 1 3 324.400 2.020 20 5 DEBDHO COc1ccc([N+](=O)[O-])c(C[C@@H](C)NCCC[NH+](C)C)c1F ZINC001173174829 793618251 /nfs/dbraw/zinc/61/82/51/793618251.db2.gz DCIOHMNOILJHSE-LLVKDONJSA-N 1 3 313.373 2.215 20 5 DEBDHO N[C@@H](CCCC[NH3+])C(=O)Nc1cc2cccnc2c2ncccc12 ZINC001218980004 802268811 /nfs/dbraw/zinc/26/88/11/802268811.db2.gz OWXNHRIAICJAKO-AWEZNQCLSA-N 1 3 323.400 2.178 20 5 DEBDHO CCCN1C[C@@H]2C[NH+]([C@@H]3Cc4ccc([N+](=O)[O-])cc4C3)C[C@H]2C1 ZINC001254610516 1143283146 /nfs/dbraw/zinc/28/31/46/1143283146.db2.gz KLFCFTGZIHRVPP-JFIYKMOQSA-N 1 3 315.417 2.336 20 5 DEBDHO CCC[NH+]1C[C@@H]2CN([C@@H]3Cc4ccc([N+](=O)[O-])cc4C3)C[C@H]2C1 ZINC001254610516 1143283156 /nfs/dbraw/zinc/28/31/56/1143283156.db2.gz KLFCFTGZIHRVPP-JFIYKMOQSA-N 1 3 315.417 2.336 20 5 DEBDHO C[C@@H](CC(=O)Nc1cccc([N+](=O)[O-])c1)N[C@@H]1CCC[NH2+]CC1 ZINC000591278465 357699303 /nfs/dbraw/zinc/69/93/03/357699303.db2.gz DOZRZROTXSQCAI-QWHCGFSZSA-N 1 3 320.393 2.044 20 5 DEBDHO COC[C@]1(C[NH2+][C@H](C)CCc2ccccc2[N+](=O)[O-])CCCN1 ZINC000414952876 404774594 /nfs/dbraw/zinc/77/45/94/404774594.db2.gz ITQGRMKZHDNHNV-RHSMWYFYSA-N 1 3 321.421 2.274 20 5 DEBDHO O=[N+]([O-])c1cccc(N2CCN(CC[C@@H]3CCC[NH2+]C3)CC2)c1 ZINC000420308111 405313946 /nfs/dbraw/zinc/31/39/46/405313946.db2.gz CLFYEDOJCFTYMB-HNNXBMFYSA-N 1 3 318.421 2.107 20 5 DEBDHO C[C@@H](CC(=O)Nc1ccc([N+](=O)[O-])cc1)N[C@H]1CC[NH2+][C@H](C)C1 ZINC000423384520 405784601 /nfs/dbraw/zinc/78/46/01/405784601.db2.gz QIUYUFYIMCERQU-DYEKYZERSA-N 1 3 320.393 2.042 20 5 DEBDHO C[C@@H](CC(=O)Nc1ccc([N+](=O)[O-])cc1)[NH2+][C@H]1CCN[C@H](C)C1 ZINC000423384520 405784609 /nfs/dbraw/zinc/78/46/09/405784609.db2.gz QIUYUFYIMCERQU-DYEKYZERSA-N 1 3 320.393 2.042 20 5 DEBDHO O=[N+]([O-])c1cccc([C@@H](O)CN2CCC([C@H]3CCC[NH2+]3)CC2)c1 ZINC000923364790 637137814 /nfs/dbraw/zinc/13/78/14/637137814.db2.gz OJXWWFLLJDBJLW-SJORKVTESA-N 1 3 319.405 2.092 20 5 DEBDHO C[C@H](CC(=O)Nc1ccc([N+](=O)[O-])cc1)NCC[C@@H](C)[NH+](C)C ZINC000895292287 637896209 /nfs/dbraw/zinc/89/62/09/637896209.db2.gz AXVXLDLNFHDVFB-CHWSQXEVSA-N 1 3 322.409 2.242 20 5 DEBDHO C[C@H](CC(=O)Nc1ccc([N+](=O)[O-])cc1)[NH2+]CC[C@@H](C)N(C)C ZINC000895292287 637896212 /nfs/dbraw/zinc/89/62/12/637896212.db2.gz AXVXLDLNFHDVFB-CHWSQXEVSA-N 1 3 322.409 2.242 20 5 DEBDHO CN1[C@@H]2CC[C@H]1CC([N@H+](C)C[C@H](O)c1ccc([N+](=O)[O-])cc1)C2 ZINC000796459969 644741558 /nfs/dbraw/zinc/74/15/58/644741558.db2.gz XCKSPWOSBZCIKI-WFVVYAPDSA-N 1 3 319.405 2.185 20 5 DEBDHO CN1[C@@H]2CC[C@H]1CC([N@@H+](C)C[C@H](O)c1ccc([N+](=O)[O-])cc1)C2 ZINC000796459969 644741560 /nfs/dbraw/zinc/74/15/60/644741560.db2.gz XCKSPWOSBZCIKI-WFVVYAPDSA-N 1 3 319.405 2.185 20 5 DEBDHO CC(C)C[N@H+](C)CCCNC1CC(n2cc([N+](=O)[O-])cn2)C1 ZINC000877609316 690166391 /nfs/dbraw/zinc/16/63/91/690166391.db2.gz KHVSWRQNYOBKRR-UHFFFAOYSA-N 1 3 309.414 2.062 20 5 DEBDHO CC(C)C[N@@H+](C)CCCNC1CC(n2cc([N+](=O)[O-])cn2)C1 ZINC000877609316 690166394 /nfs/dbraw/zinc/16/63/94/690166394.db2.gz KHVSWRQNYOBKRR-UHFFFAOYSA-N 1 3 309.414 2.062 20 5 DEBDHO C[C@H](CC(=O)Nc1cccc([N+](=O)[O-])c1)N[C@@H]1CCC[NH2+]CC1 ZINC000591278463 357699082 /nfs/dbraw/zinc/69/90/82/357699082.db2.gz DOZRZROTXSQCAI-CHWSQXEVSA-N 1 3 320.393 2.044 20 5 DEBDHO O=[N+]([O-])c1ccc(OCCN2CCC([C@@H]3CC[NH2+]C3)CC2)cc1 ZINC000357094484 147040713 /nfs/dbraw/zinc/04/07/13/147040713.db2.gz YGSSISNBSBOLGR-OAHLLOKOSA-N 1 3 319.405 2.295 20 5 DEBDHO COc1ccc(CN(C)CC2CC[NH+](C)CC2)cc1[N+](=O)[O-] ZINC000154734815 402228917 /nfs/dbraw/zinc/22/89/17/402228917.db2.gz GJVPWWZPGUUAMQ-UHFFFAOYSA-N 1 3 307.394 2.377 20 5 DEBDHO C[C@@H]([NH2+]C[C@H]1CCN(C2CC2)C1)c1ccc(N)c([N+](=O)[O-])c1 ZINC000284158179 403250273 /nfs/dbraw/zinc/25/02/73/403250273.db2.gz PRUBWDDFHZOSLH-VXGBXAGGSA-N 1 3 304.394 2.312 20 5 DEBDHO C[C@H](CC(=O)Nc1cccc([N+](=O)[O-])c1)N[C@H]1CCC[C@@H]([NH3+])C1 ZINC000414921773 404767072 /nfs/dbraw/zinc/76/70/72/404767072.db2.gz FVBSAWUPDFDGMC-UPJWGTAASA-N 1 3 320.393 2.171 20 5 DEBDHO C[C@H](CC(=O)Nc1cccc([N+](=O)[O-])c1)[NH2+][C@H]1CCC[C@@H](N)C1 ZINC000414921773 404767073 /nfs/dbraw/zinc/76/70/73/404767073.db2.gz FVBSAWUPDFDGMC-UPJWGTAASA-N 1 3 320.393 2.171 20 5 DEBDHO COc1cc(CNC[C@H]2CCC[C@@H]([NH3+])C2)c([N+](=O)[O-])cc1OC ZINC000415000753 404785363 /nfs/dbraw/zinc/78/53/63/404785363.db2.gz UCJOPVXEZUWNKR-WCQYABFASA-N 1 3 323.393 2.219 20 5 DEBDHO O=[N+]([O-])c1ccccc1C[C@@H]1CCC[C@H]1N[C@@H]1[C@H]2C[NH2+]C[C@H]21 ZINC000415046594 275040009 /nfs/dbraw/zinc/04/00/09/275040009.db2.gz XPJMWFBNXQBHAF-LAWJPMAJSA-N 1 3 301.390 2.113 20 5 DEBDHO C[C@H](C[NH2+][C@H](C)CC(=O)Nc1cccc([N+](=O)[O-])c1)CN(C)C ZINC000293369473 278210074 /nfs/dbraw/zinc/21/00/74/278210074.db2.gz HUZSDELDJQIHHR-CHWSQXEVSA-N 1 3 322.409 2.099 20 5 DEBDHO C[C@H](CN[C@H](C)CC(=O)Nc1cccc([N+](=O)[O-])c1)C[NH+](C)C ZINC000293369473 278210075 /nfs/dbraw/zinc/21/00/75/278210075.db2.gz HUZSDELDJQIHHR-CHWSQXEVSA-N 1 3 322.409 2.099 20 5 DEBDHO CCN1CC[C@H]([N@H+](C)C[C@@H](O)c2ccc([N+](=O)[O-])cc2)C[C@@H]1C ZINC000776277571 642153264 /nfs/dbraw/zinc/15/32/64/642153264.db2.gz OCZAULQMLLJGQO-RRQGHBQHSA-N 1 3 321.421 2.433 20 5 DEBDHO CCN1CC[C@H]([N@@H+](C)C[C@@H](O)c2ccc([N+](=O)[O-])cc2)C[C@@H]1C ZINC000776277571 642153266 /nfs/dbraw/zinc/15/32/66/642153266.db2.gz OCZAULQMLLJGQO-RRQGHBQHSA-N 1 3 321.421 2.433 20 5 DEBDHO COc1cc(C[NH2+]CC[C@@H]2CCC[NH2+]CC2)c([N+](=O)[O-])cc1[O-] ZINC001579152806 1067244466 /nfs/dbraw/zinc/24/44/66/1067244466.db2.gz IQECRFIBHJRIOP-GFCCVEGCSA-N 1 3 323.393 2.178 20 5 DEBDHO CCN1CCN([C@H](C)C[NH2+][C@@H](C)c2ccc([N+](=O)[O-])cc2)CC1 ZINC000155711175 186105437 /nfs/dbraw/zinc/10/54/37/186105437.db2.gz KYDHJKQJIDQERI-CABCVRRESA-N 1 3 320.437 2.271 20 5 DEBDHO [NH3+][C@@H]1CCO[C@@H]([C@H]2CCCN(Cc3ccccc3[N+](=O)[O-])C2)C1 ZINC000593314265 358052533 /nfs/dbraw/zinc/05/25/33/358052533.db2.gz BLWYLHQEZTZTAC-ZMSDIMECSA-N 1 3 319.405 2.313 20 5 DEBDHO Cc1cc([N+](=O)[O-])ccc1CN1CCC(OCCC[NH3+])CC1 ZINC000346659595 146119414 /nfs/dbraw/zinc/11/94/14/146119414.db2.gz UXPNMWCWJAVEFB-UHFFFAOYSA-N 1 3 307.394 2.233 20 5 DEBDHO CCN(CCOc1cccc([N+](=O)[O-])c1)[C@H]1CCC[NH2+]CC1 ZINC000435631044 404999083 /nfs/dbraw/zinc/99/90/83/404999083.db2.gz ZNLNGNASHWTCAU-AWEZNQCLSA-N 1 3 307.394 2.438 20 5 DEBDHO Cc1c(CN2CCC([C@@H]3OCC[C@H]3[NH3+])CC2)cccc1[N+](=O)[O-] ZINC000420324547 405319553 /nfs/dbraw/zinc/31/95/53/405319553.db2.gz CCONMNABTNXMQF-WBVHZDCISA-N 1 3 319.405 2.231 20 5 DEBDHO O=[N+]([O-])c1ccn([C@H]2CCCC[C@@H]2[NH2+]CCCN2CCCC2)n1 ZINC000447519446 405416849 /nfs/dbraw/zinc/41/68/49/405416849.db2.gz YNALITKOGDJPDG-GJZGRUSLSA-N 1 3 321.425 2.351 20 5 DEBDHO O=[N+]([O-])c1ccn([C@H]2CCCC[C@@H]2NCCC[NH+]2CCCC2)n1 ZINC000447519446 405416852 /nfs/dbraw/zinc/41/68/52/405416852.db2.gz YNALITKOGDJPDG-GJZGRUSLSA-N 1 3 321.425 2.351 20 5 DEBDHO C[C@@H]1C[C@H]([NH2+][C@H]2CCCC[C@H]2n2ccc([N+](=O)[O-])n2)CCN1 ZINC000423371204 278030023 /nfs/dbraw/zinc/03/00/23/278030023.db2.gz FDAJAYFEGKJNAM-YIYPIFLZSA-N 1 3 307.398 2.005 20 5 DEBDHO C[C@@H]1C[C@H](N[C@H]2CCCC[C@H]2n2ccc([N+](=O)[O-])n2)CC[NH2+]1 ZINC000423371204 278030024 /nfs/dbraw/zinc/03/00/24/278030024.db2.gz FDAJAYFEGKJNAM-YIYPIFLZSA-N 1 3 307.398 2.005 20 5 DEBDHO C[C@@H]1CNCC[C@@H]1[NH2+]C1CCN(c2ccc([N+](=O)[O-])cc2)CC1 ZINC000841064703 650419813 /nfs/dbraw/zinc/41/98/13/650419813.db2.gz UEZGQBXKOQHNRL-DYVFJYSZSA-N 1 3 318.421 2.151 20 5 DEBDHO CC1(C)C[NH2+]CC[C@@H](NCCOc2ccc([N+](=O)[O-])cc2)C1 ZINC000902359601 643018781 /nfs/dbraw/zinc/01/87/81/643018781.db2.gz DVFDHEJJNKPCQS-CYBMUJFWSA-N 1 3 307.394 2.341 20 5 DEBDHO CN1CCC[C@@]2(CC[N@H+](C[C@H](O)c3ccc([N+](=O)[O-])cc3)C2)C1 ZINC000815142939 646978780 /nfs/dbraw/zinc/97/87/80/646978780.db2.gz ADHKNKUZVZDULA-DLBZAZTESA-N 1 3 319.405 2.046 20 5 DEBDHO CN1CCC[C@@]2(CC[N@@H+](C[C@H](O)c3ccc([N+](=O)[O-])cc3)C2)C1 ZINC000815142939 646978782 /nfs/dbraw/zinc/97/87/82/646978782.db2.gz ADHKNKUZVZDULA-DLBZAZTESA-N 1 3 319.405 2.046 20 5 DEBDHO C[C@H]1CCCCN1CCC[NH2+]C1CC(n2cc([N+](=O)[O-])cn2)C1 ZINC000876897479 689967473 /nfs/dbraw/zinc/96/74/73/689967473.db2.gz UEXCFANMDHEJLX-NFOMZHRRSA-N 1 3 321.425 2.349 20 5 DEBDHO O=[N+]([O-])c1cc2c(cc1NCC13CC[NH+](CC1)CC3)CNC2 ZINC001169796368 785373266 /nfs/dbraw/zinc/37/32/66/785373266.db2.gz MPLVRUHRPBSRFK-UHFFFAOYSA-N 1 3 302.378 2.096 20 5 DEBDHO C[C@H]1C[N@@H+]([C@H]2CCc3ccc([N+](=O)[O-])cc3CC2)C[C@H]1CN ZINC001246542408 1140946801 /nfs/dbraw/zinc/94/68/01/1140946801.db2.gz OWWJXBBRPZWYEU-MAZHCROVSA-N 1 3 303.406 2.369 20 5 DEBDHO C[C@H]1C[N@H+]([C@H]2CCc3ccc([N+](=O)[O-])cc3CC2)C[C@H]1CN ZINC001246542408 1140946817 /nfs/dbraw/zinc/94/68/17/1140946817.db2.gz OWWJXBBRPZWYEU-MAZHCROVSA-N 1 3 303.406 2.369 20 5 DEBDHO O=[N+]([O-])c1ccn([C@@H]2CCCC[C@H]2N[C@H]2CCC[NH2+]CC2)n1 ZINC000591578375 357737617 /nfs/dbraw/zinc/73/76/17/357737617.db2.gz XMEMTOCBKRFLQY-BFHYXJOUSA-N 1 3 307.398 2.007 20 5 DEBDHO O=[N+]([O-])c1ccn([C@@H]2CCCC[C@H]2[NH2+][C@H]2CCCNCC2)n1 ZINC000591578375 357737620 /nfs/dbraw/zinc/73/76/20/357737620.db2.gz XMEMTOCBKRFLQY-BFHYXJOUSA-N 1 3 307.398 2.007 20 5 DEBDHO C[C@@H]([NH3+])C[C@@H](C)NCc1cn(C)nc1-c1ccc([N+](=O)[O-])cc1 ZINC000592438288 357876816 /nfs/dbraw/zinc/87/68/16/357876816.db2.gz IFEJRBAZMANVCB-VXGBXAGGSA-N 1 3 317.393 2.211 20 5 DEBDHO C[C@H]1CCCN(CCOc2ccc([N+](=O)[O-])cc2)[C@H]1CC[NH3+] ZINC000593733992 358132489 /nfs/dbraw/zinc/13/24/89/358132489.db2.gz QOKJWHZYAUOPSI-BBRMVZONSA-N 1 3 307.394 2.423 20 5 DEBDHO COc1ccc([N+](=O)[O-])cc1CN1CC[C@H]2C[NH2+]C[C@H]2CC1 ZINC000319961584 404061806 /nfs/dbraw/zinc/06/18/06/404061806.db2.gz CRPNCFVDVMUKQG-BETUJISGSA-N 1 3 305.378 2.035 20 5 DEBDHO COC[C@@]1(C[NH2+][C@@H](C)CCc2ccccc2[N+](=O)[O-])CCCN1 ZINC000414952881 404774675 /nfs/dbraw/zinc/77/46/75/404774675.db2.gz ITQGRMKZHDNHNV-YOEHRIQHSA-N 1 3 321.421 2.274 20 5 DEBDHO C[C@H](CC(=O)Nc1ccc([N+](=O)[O-])cc1)N[C@@H]1CCC[C@@H]([NH3+])C1 ZINC000423367584 405780520 /nfs/dbraw/zinc/78/05/20/405780520.db2.gz CUQPNHYRIKGQSQ-YRGRVCCFSA-N 1 3 320.393 2.171 20 5 DEBDHO C[C@H](CC(=O)Nc1ccc([N+](=O)[O-])cc1)[NH2+][C@@H]1CCC[C@@H](N)C1 ZINC000423367584 405780526 /nfs/dbraw/zinc/78/05/26/405780526.db2.gz CUQPNHYRIKGQSQ-YRGRVCCFSA-N 1 3 320.393 2.171 20 5 DEBDHO C[C@H](N)[C@@H]1COCC[C@@H]1[NH2+]CCCCc1ccc([N+](=O)[O-])cc1 ZINC000422921182 230277377 /nfs/dbraw/zinc/27/73/77/230277377.db2.gz NOYRIYQTVIVOOH-JQFCIGGWSA-N 1 3 321.421 2.259 20 5 DEBDHO O=[N+]([O-])c1ccc([C@@H](O)C[NH2+]C2CCN(CC3CC3)CC2)cc1 ZINC000765845580 640823906 /nfs/dbraw/zinc/82/39/06/640823906.db2.gz QUMQPLVXLDBAFZ-KRWDZBQOSA-N 1 3 319.405 2.092 20 5 DEBDHO O=[N+]([O-])c1ccccc1/C=C/C[NH2+]C[C@H]1CNCCC1(F)F ZINC000903954289 643529140 /nfs/dbraw/zinc/52/91/40/643529140.db2.gz CMIQGNCVLPQGCC-LQPUYASZSA-N 1 3 311.332 2.442 20 5 DEBDHO COc1ccc(C[C@@H](C)N[C@@H]2CCC[C@H]([NH3+])C2)c([N+](=O)[O-])c1 ZINC001170299134 786894864 /nfs/dbraw/zinc/89/48/64/786894864.db2.gz QPNDBCXVIQSYSC-KWCYVHTRSA-N 1 3 307.394 2.394 20 5 DEBDHO O=[N+]([O-])c1ccc2c(c1)CC[C@H]([NH2+][C@@H](C1CC1)C1CNC1)CC2 ZINC001246513359 1140931957 /nfs/dbraw/zinc/93/19/57/1140931957.db2.gz DJQCFEYHWVIBBI-AEFFLSMTSA-N 1 3 315.417 2.430 20 5 DEBDHO O=[N+]([O-])c1ccc2c(c1)CC[C@@H]([NH2+][C@@H](C1CC1)C1CNC1)CC2 ZINC001246513362 1140932608 /nfs/dbraw/zinc/93/26/08/1140932608.db2.gz DJQCFEYHWVIBBI-WMZOPIPTSA-N 1 3 315.417 2.430 20 5 DEBDHO O=[N+]([O-])c1ccc2c(c1)CC[C@@H]([NH2+][C@H](C1CC1)C1CNC1)CC2 ZINC001246513360 1140933089 /nfs/dbraw/zinc/93/30/89/1140933089.db2.gz DJQCFEYHWVIBBI-FUHWJXTLSA-N 1 3 315.417 2.430 20 5 DEBDHO C[C@@H]1CCCN(CCOc2cccc([N+](=O)[O-])c2)[C@H]1CC[NH3+] ZINC000593730829 358132223 /nfs/dbraw/zinc/13/22/23/358132223.db2.gz HZWHYUBPRODLLZ-CJNGLKHVSA-N 1 3 307.394 2.423 20 5 DEBDHO O=[N+]([O-])c1ccccc1N1CCN(CC[C@@H]2CCC[NH2+]C2)CC1 ZINC000420303548 285163624 /nfs/dbraw/zinc/16/36/24/285163624.db2.gz KQYGVIJOGWOFEF-HNNXBMFYSA-N 1 3 318.421 2.107 20 5 DEBDHO C[NH+]1CCC(N2CC[C@@H](Nc3ccc([N+](=O)[O-])cc3)C2)CC1 ZINC000362637801 133242693 /nfs/dbraw/zinc/24/26/93/133242693.db2.gz RITCZZVJHNBJRW-CQSZACIVSA-N 1 3 304.394 2.175 20 5 DEBDHO CCN1CCN([C@H](C)C[NH2+][C@H](C)c2cccc([N+](=O)[O-])c2)CC1 ZINC000173321690 402692291 /nfs/dbraw/zinc/69/22/91/402692291.db2.gz TXQHAYRZGDXSGL-HUUCEWRRSA-N 1 3 320.437 2.271 20 5 DEBDHO C/C(=C/c1cccc([N+](=O)[O-])c1)C[NH2+]C[C@@H](O)CN1CCCC1 ZINC000344790323 404368968 /nfs/dbraw/zinc/36/89/68/404368968.db2.gz IKWPBWBYYPXOOK-CRPZLVSXSA-N 1 3 319.405 2.044 20 5 DEBDHO [NH3+]CC[C@H]1CCCCN1CCC(=O)Nc1ccccc1[N+](=O)[O-] ZINC000420324106 405319605 /nfs/dbraw/zinc/31/96/05/405319605.db2.gz ZACMYVZRYDBIHV-CYBMUJFWSA-N 1 3 320.393 2.127 20 5 DEBDHO CC[NH+](CC)C[C@@H]1CCCC[C@@H]1NCCn1ccc([N+](=O)[O-])n1 ZINC000348398736 535577859 /nfs/dbraw/zinc/57/78/59/535577859.db2.gz UAOCXVMBEHDWSV-GJZGRUSLSA-N 1 3 323.441 2.282 20 5 DEBDHO CCN(CC)C[C@@H]1CCCC[C@@H]1[NH2+]CCn1ccc([N+](=O)[O-])n1 ZINC000348398736 535577865 /nfs/dbraw/zinc/57/78/65/535577865.db2.gz UAOCXVMBEHDWSV-GJZGRUSLSA-N 1 3 323.441 2.282 20 5 DEBDHO C[C@@H](c1ccccc1[N+](=O)[O-])N1CCC2(CO[C@H](C[NH3+])C2)CC1 ZINC000923449710 637188471 /nfs/dbraw/zinc/18/84/71/637188471.db2.gz QEEGWVSXQKTSBC-KBPBESRZSA-N 1 3 319.405 2.486 20 5 DEBDHO C[C@H]1CNCC[C@H]1[NH2+]C1CCN(c2ccc([N+](=O)[O-])cc2)CC1 ZINC000841064705 650420047 /nfs/dbraw/zinc/42/00/47/650420047.db2.gz UEZGQBXKOQHNRL-SUMWQHHRSA-N 1 3 318.421 2.151 20 5 DEBDHO C[C@@H]([NH2+]C[C@@H](O)c1cccc([N+](=O)[O-])c1)C(C)(C)CN(C)C ZINC000819101560 647584106 /nfs/dbraw/zinc/58/41/06/647584106.db2.gz BDATZWFAHLTXTL-IUODEOHRSA-N 1 3 309.410 2.194 20 5 DEBDHO C[C@H](CC[NH2+]C1CC(n2cc([N+](=O)[O-])cn2)C1)N1CCCCC1 ZINC000877315273 690074729 /nfs/dbraw/zinc/07/47/29/690074729.db2.gz MLYGWQRNHLBJIJ-WLYUNCDWSA-N 1 3 321.425 2.349 20 5 DEBDHO COc1ccc(C[C@H](C)NC[C@H]2C[NH2+]C[C@H](C)C2)c([N+](=O)[O-])c1 ZINC001246100278 1140860829 /nfs/dbraw/zinc/86/08/29/1140860829.db2.gz ODBZHFXDLNQVAQ-HZSPNIEDSA-N 1 3 321.421 2.370 20 5 DEBDHO C[C@@H]1CC[N@@H+](C2CCN(c3ccc([N+](=O)[O-])cc3)CC2)C[C@@H]1N ZINC001246563244 1140968534 /nfs/dbraw/zinc/96/85/34/1140968534.db2.gz BJLGNFPRTIKFFN-DYVFJYSZSA-N 1 3 318.421 2.233 20 5 DEBDHO C[C@@H]1CC[N@H+](C2CCN(c3ccc([N+](=O)[O-])cc3)CC2)C[C@@H]1N ZINC001246563244 1140968553 /nfs/dbraw/zinc/96/85/53/1140968553.db2.gz BJLGNFPRTIKFFN-DYVFJYSZSA-N 1 3 318.421 2.233 20 5 DEBDHO CCOc1ccc([N+](=O)[O-])cc1CN[C@H]1CC12CC[NH2+]CC2 ZINC000591281850 357699195 /nfs/dbraw/zinc/69/91/95/357699195.db2.gz OYBUNLQMUSVWKA-HNNXBMFYSA-N 1 3 305.378 2.225 20 5 DEBDHO C[C@H]1CCCN(CCOc2ccc([N+](=O)[O-])cc2)[C@@H]1CC[NH3+] ZINC000593733995 358132961 /nfs/dbraw/zinc/13/29/61/358132961.db2.gz QOKJWHZYAUOPSI-XJKSGUPXSA-N 1 3 307.394 2.423 20 5 DEBDHO C[NH+](C)CCOC1CCN(CCc2ccc([N+](=O)[O-])cc2)CC1 ZINC000609564298 361320022 /nfs/dbraw/zinc/32/00/22/361320022.db2.gz GSWNLGMPIYXQPX-UHFFFAOYSA-N 1 3 321.421 2.180 20 5 DEBDHO CN1CCC[C@H](C[N@H+](C)CCOc2ccccc2[N+](=O)[O-])C1 ZINC000152386422 402094242 /nfs/dbraw/zinc/09/42/42/402094242.db2.gz XLTLOPDCFUUACJ-AWEZNQCLSA-N 1 3 307.394 2.247 20 5 DEBDHO CN1CCC[C@H](C[N@@H+](C)CCOc2ccccc2[N+](=O)[O-])C1 ZINC000152386422 402094246 /nfs/dbraw/zinc/09/42/46/402094246.db2.gz XLTLOPDCFUUACJ-AWEZNQCLSA-N 1 3 307.394 2.247 20 5 DEBDHO CN1CCC[C@@H](C[N@H+](C)CCOc2ccccc2[N+](=O)[O-])C1 ZINC000152386530 402094276 /nfs/dbraw/zinc/09/42/76/402094276.db2.gz XLTLOPDCFUUACJ-CQSZACIVSA-N 1 3 307.394 2.247 20 5 DEBDHO CN1CCC[C@@H](C[N@@H+](C)CCOc2ccccc2[N+](=O)[O-])C1 ZINC000152386530 402094277 /nfs/dbraw/zinc/09/42/77/402094277.db2.gz XLTLOPDCFUUACJ-CQSZACIVSA-N 1 3 307.394 2.247 20 5 DEBDHO CCN1CCN(CCC[NH2+][C@@H](C)c2ccc([N+](=O)[O-])cc2)CC1 ZINC000154310866 402205229 /nfs/dbraw/zinc/20/52/29/402205229.db2.gz QYKIJTOQRMAMDE-HNNXBMFYSA-N 1 3 320.437 2.273 20 5 DEBDHO [NH3+][C@@H]1CCC[C@H]2CN(CCOc3ccc([N+](=O)[O-])cc3)C[C@H]21 ZINC000342094233 404362396 /nfs/dbraw/zinc/36/23/96/404362396.db2.gz FCPFXOJZLLDNOA-APHBMKBZSA-N 1 3 305.378 2.033 20 5 DEBDHO C[C@@H](CC(=O)Nc1cccc([N+](=O)[O-])c1)NCCC[NH2+]C1CC1 ZINC000415067247 404799758 /nfs/dbraw/zinc/79/97/58/404799758.db2.gz KGQLRXNFFCJKKQ-LBPRGKRZSA-N 1 3 320.393 2.044 20 5 DEBDHO C[C@@H](CC(=O)Nc1cccc([N+](=O)[O-])c1)[NH2+]CCCNC1CC1 ZINC000415067247 404799760 /nfs/dbraw/zinc/79/97/60/404799760.db2.gz KGQLRXNFFCJKKQ-LBPRGKRZSA-N 1 3 320.393 2.044 20 5 DEBDHO Cc1cc(NC[C@@H](C)C[NH+](C)C)c2cc([N+](=O)[O-])ccc2n1 ZINC000336866330 280300017 /nfs/dbraw/zinc/30/00/17/280300017.db2.gz MAZSDZLUZJYSIO-LLVKDONJSA-N 1 3 302.378 2.483 20 5 DEBDHO COc1ccc(C[C@H](C)[NH2+]CC2(N)CCCC2)c([N+](=O)[O-])c1 ZINC001246075674 1140857707 /nfs/dbraw/zinc/85/77/07/1140857707.db2.gz MJFDILOFGNFCAB-LBPRGKRZSA-N 1 3 307.394 2.396 20 5 DEBDHO CCN1CCN([C@@H](C)C[NH2+][C@H](C)c2ccc([N+](=O)[O-])cc2)CC1 ZINC000155711275 186105401 /nfs/dbraw/zinc/10/54/01/186105401.db2.gz KYDHJKQJIDQERI-LSDHHAIUSA-N 1 3 320.437 2.271 20 5 DEBDHO C[C@@H](CC(=O)Nc1ccc([N+](=O)[O-])cc1)N[C@@H]1CCC[NH2+]CC1 ZINC000591578337 357737500 /nfs/dbraw/zinc/73/75/00/357737500.db2.gz RIFSCICYUJPBKR-QWHCGFSZSA-N 1 3 320.393 2.044 20 5 DEBDHO C[C@@H]([NH2+]CCCCN1CCN(C)CC1)c1cccc([N+](=O)[O-])c1 ZINC000531941015 284631356 /nfs/dbraw/zinc/63/13/56/284631356.db2.gz BSKSIDDQBVEGOY-OAHLLOKOSA-N 1 3 320.437 2.273 20 5 DEBDHO CC[C@@H]([NH2+]CC1(O)CCN(C)CC1)c1cccc([N+](=O)[O-])c1 ZINC000268970521 207133237 /nfs/dbraw/zinc/13/32/37/207133237.db2.gz HZZURWPKXASKAE-OAHLLOKOSA-N 1 3 307.394 2.092 20 5 DEBDHO C/C(=C/c1cccc([N+](=O)[O-])c1)C[NH2+]C[C@H](O)CN1CCCC1 ZINC000344790326 404369209 /nfs/dbraw/zinc/36/92/09/404369209.db2.gz IKWPBWBYYPXOOK-DZXKJOIRSA-N 1 3 319.405 2.044 20 5 DEBDHO O=[N+]([O-])c1ccccc1C[C@H]1CCC[C@H]1N[C@@H]1[C@H]2C[NH2+]C[C@H]21 ZINC000415069825 404800552 /nfs/dbraw/zinc/80/05/52/404800552.db2.gz XPJMWFBNXQBHAF-AQFIFQLPSA-N 1 3 301.390 2.113 20 5 DEBDHO [NH3+][C@H]1CCO[C@@H](C2CCN(Cc3ccc([N+](=O)[O-])cc3)CC2)C1 ZINC000415123881 404812788 /nfs/dbraw/zinc/81/27/88/404812788.db2.gz LRLGZOBHJDKGHZ-DOTOQJQBSA-N 1 3 319.405 2.313 20 5 DEBDHO COC[C@@]1(C[NH2+][C@H](C)CCc2ccccc2[N+](=O)[O-])CCCN1 ZINC000414952873 404774649 /nfs/dbraw/zinc/77/46/49/404774649.db2.gz ITQGRMKZHDNHNV-PBHICJAKSA-N 1 3 321.421 2.274 20 5 DEBDHO O=[N+]([O-])c1ccc(OCCN2CCC3(CC[NH2+]C3)CC2)cc1 ZINC000431017757 405561481 /nfs/dbraw/zinc/56/14/81/405561481.db2.gz RVPMSNALBLUEKQ-UHFFFAOYSA-N 1 3 305.378 2.049 20 5 DEBDHO C[C@H]([NH2+]C1CCN(CCN(C)C)CC1)c1ccc([N+](=O)[O-])cc1 ZINC000150990879 196613268 /nfs/dbraw/zinc/61/32/68/196613268.db2.gz HCDXLDVHEMFIKH-AWEZNQCLSA-N 1 3 320.437 2.271 20 5 DEBDHO CCOc1ccc([N+](=O)[O-])cc1CN[C@@H]1C[C@H]1C1CC[NH2+]CC1 ZINC000415013058 228612303 /nfs/dbraw/zinc/61/23/03/228612303.db2.gz UOWZIMGXEKGQQM-JKSUJKDBSA-N 1 3 319.405 2.471 20 5 DEBDHO CN1CC=C(C[NH2+][C@H]2CCCC[C@@H]2n2ccc([N+](=O)[O-])n2)CC1 ZINC000447572506 277023574 /nfs/dbraw/zinc/02/35/74/277023574.db2.gz CHKFWIZNOLHTGA-GJZGRUSLSA-N 1 3 319.409 2.127 20 5 DEBDHO C[C@]1(C[NH2+][C@@H]2CCCC[C@@H]2n2ccc([N+](=O)[O-])n2)CCCNC1 ZINC000423344743 280157751 /nfs/dbraw/zinc/15/77/51/280157751.db2.gz ONCBBLVSPWZIHZ-YCPHGPKFSA-N 1 3 321.425 2.254 20 5 DEBDHO C[C@]1(CN[C@@H]2CCCC[C@@H]2n2ccc([N+](=O)[O-])n2)CCC[NH2+]C1 ZINC000423344743 280157755 /nfs/dbraw/zinc/15/77/55/280157755.db2.gz ONCBBLVSPWZIHZ-YCPHGPKFSA-N 1 3 321.425 2.254 20 5 DEBDHO O=[N+]([O-])c1ccccc1/C=C\C[NH2+]C[C@H]1CNCCC1(F)F ZINC000903954287 643528881 /nfs/dbraw/zinc/52/88/81/643528881.db2.gz CMIQGNCVLPQGCC-DXTPNHAXSA-N 1 3 311.332 2.442 20 5 DEBDHO CCN(C)C[C@@H](O)C[N@@H+]1CCC[C@H](c2ccc([N+](=O)[O-])cc2)C1 ZINC000570940164 406458614 /nfs/dbraw/zinc/45/86/14/406458614.db2.gz QHQOATCMWYMZSR-DOTOQJQBSA-N 1 3 321.421 2.087 20 5 DEBDHO CCN(C)C[C@@H](O)C[N@H+]1CCC[C@H](c2ccc([N+](=O)[O-])cc2)C1 ZINC000570940164 406458619 /nfs/dbraw/zinc/45/86/19/406458619.db2.gz QHQOATCMWYMZSR-DOTOQJQBSA-N 1 3 321.421 2.087 20 5 DEBDHO C[C@H](c1ccccc1[N+](=O)[O-])N1CCC2(CO[C@H](C[NH3+])C2)CC1 ZINC000923449711 637188587 /nfs/dbraw/zinc/18/85/87/637188587.db2.gz QEEGWVSXQKTSBC-KGLIPLIRSA-N 1 3 319.405 2.486 20 5 DEBDHO [NH3+]CCCCCCCN1CCN(c2ccc([N+](=O)[O-])nc2)CC1 ZINC000842471538 650747190 /nfs/dbraw/zinc/74/71/90/650747190.db2.gz HUVYYVOHGFRBCF-UHFFFAOYSA-N 1 3 321.425 2.021 20 5 DEBDHO CCN1CCN([C@@H](C)C[NH2+]Cc2cccc([N+](=O)[O-])c2C)CC1 ZINC000873012508 689140622 /nfs/dbraw/zinc/14/06/22/689140622.db2.gz SIHLILHFOJMCLU-AWEZNQCLSA-N 1 3 320.437 2.019 20 5 DEBDHO C[N@H+](C[C@@H](O)c1ccc([N+](=O)[O-])cc1)C1(CN)CCCCC1 ZINC001578446555 1067103782 /nfs/dbraw/zinc/10/37/82/1067103782.db2.gz ZZKCWQVGDFMUDU-OAHLLOKOSA-N 1 3 307.394 2.222 20 5 DEBDHO C[N@@H+](C[C@@H](O)c1ccc([N+](=O)[O-])cc1)C1(CN)CCCCC1 ZINC001578446555 1067103791 /nfs/dbraw/zinc/10/37/91/1067103791.db2.gz ZZKCWQVGDFMUDU-OAHLLOKOSA-N 1 3 307.394 2.222 20 5 DEBDHO CN1CCC(O)(C[NH2+][C@@H]2CCCc3ccc([N+](=O)[O-])cc32)CC1 ZINC000278680355 402869593 /nfs/dbraw/zinc/86/95/93/402869593.db2.gz JTWZIYLMHAOTEE-MRXNPFEDSA-N 1 3 319.405 2.019 20 5 DEBDHO C/C(=C/c1cccc([N+](=O)[O-])c1)C[NH2+]CC1(O)CCN(C)CC1 ZINC000344790527 404369329 /nfs/dbraw/zinc/36/93/29/404369329.db2.gz JIKVIHZQDYBXJV-UVTDQMKNSA-N 1 3 319.405 2.044 20 5 DEBDHO COc1ccc(CN2CCC[C@H]([C@H]3CC[NH2+]C3)C2)cc1[N+](=O)[O-] ZINC000414779554 404732369 /nfs/dbraw/zinc/73/23/69/404732369.db2.gz KKNJHBDTIASNQY-GJZGRUSLSA-N 1 3 319.405 2.425 20 5 DEBDHO COc1cc(CNCC2(C)CC[NH2+]CC2)c([N+](=O)[O-])cc1OC ZINC000414897634 404761170 /nfs/dbraw/zinc/76/11/70/404761170.db2.gz FDFBDSCAGOQWEW-UHFFFAOYSA-N 1 3 323.393 2.091 20 5 DEBDHO COc1c(O)ccc(CNCC[C@@H]2CCC[N@H+](C)C2)c1[N+](=O)[O-] ZINC000894860387 637269643 /nfs/dbraw/zinc/26/96/43/637269643.db2.gz BWRRRIIXYLAQGK-LBPRGKRZSA-N 1 3 323.393 2.131 20 5 DEBDHO COc1c(O)ccc(CNCC[C@@H]2CCC[N@@H+](C)C2)c1[N+](=O)[O-] ZINC000894860387 637269645 /nfs/dbraw/zinc/26/96/45/637269645.db2.gz BWRRRIIXYLAQGK-LBPRGKRZSA-N 1 3 323.393 2.131 20 5 DEBDHO CCN1CC[C@H]([N@H+](C)C[C@H](O)c2ccc([N+](=O)[O-])cc2)C[C@@H]1C ZINC000776277569 642152782 /nfs/dbraw/zinc/15/27/82/642152782.db2.gz OCZAULQMLLJGQO-JQFCIGGWSA-N 1 3 321.421 2.433 20 5 DEBDHO CCN1CC[C@H]([N@@H+](C)C[C@H](O)c2ccc([N+](=O)[O-])cc2)C[C@@H]1C ZINC000776277569 642152784 /nfs/dbraw/zinc/15/27/84/642152784.db2.gz OCZAULQMLLJGQO-JQFCIGGWSA-N 1 3 321.421 2.433 20 5 DEBDHO CC(C)N1CCC([N@H+](C)C[C@H](O)c2ccc([N+](=O)[O-])cc2)CC1 ZINC000776581145 642187346 /nfs/dbraw/zinc/18/73/46/642187346.db2.gz FGIZYWAHUCDSMO-KRWDZBQOSA-N 1 3 321.421 2.433 20 5 DEBDHO CC(C)N1CCC([N@@H+](C)C[C@H](O)c2ccc([N+](=O)[O-])cc2)CC1 ZINC000776581145 642187349 /nfs/dbraw/zinc/18/73/49/642187349.db2.gz FGIZYWAHUCDSMO-KRWDZBQOSA-N 1 3 321.421 2.433 20 5 DEBDHO COCCN(Cc1cccc([N+](=O)[O-])c1)CC1CC[NH+](C)CC1 ZINC000877665276 690183430 /nfs/dbraw/zinc/18/34/30/690183430.db2.gz OPXSPRZQEYRECP-UHFFFAOYSA-N 1 3 321.421 2.385 20 5 DEBDHO O=[N+]([O-])c1ncccc1CN1CCC[C@H]([C@@H]2CCC[NH2+]C2)C1 ZINC000886838271 692207071 /nfs/dbraw/zinc/20/70/71/692207071.db2.gz URCUXYYNYNRZAV-KGLIPLIRSA-N 1 3 304.394 2.201 20 5 DEBDHO COc1ccc(C[C@H](C)NC[C@H]2C[NH2+]C[C@@H](C)C2)c([N+](=O)[O-])c1 ZINC001246100281 1140860737 /nfs/dbraw/zinc/86/07/37/1140860737.db2.gz ODBZHFXDLNQVAQ-MELADBBJSA-N 1 3 321.421 2.370 20 5 DEBDHO [NH3+][C@@H]1CCCN(C2CCN(c3ccc([N+](=O)[O-])cc3)CC2)CC1 ZINC001246540563 1140945240 /nfs/dbraw/zinc/94/52/40/1140945240.db2.gz GYQSKTYIUJTTPF-CQSZACIVSA-N 1 3 318.421 2.377 20 5 DEBDHO C[NH2+]CCC1CCN(CCOc2ccc([N+](=O)[O-])cc2)CC1 ZINC000261994571 145251287 /nfs/dbraw/zinc/25/12/87/145251287.db2.gz NIEDROLOKZWIOM-UHFFFAOYSA-N 1 3 307.394 2.295 20 5 DEBDHO CCN1CCN([C@@H](C)C[NH2+][C@@H](C)c2cccc([N+](=O)[O-])c2)CC1 ZINC000173321648 402692380 /nfs/dbraw/zinc/69/23/80/402692380.db2.gz TXQHAYRZGDXSGL-GJZGRUSLSA-N 1 3 320.437 2.271 20 5 DEBDHO [NH3+]C[C@H]1CC[C@@H](NCc2cc([N+](=O)[O-])ccc2OC(F)F)C1 ZINC000415029596 404790971 /nfs/dbraw/zinc/79/09/71/404790971.db2.gz DZCQOYPEXREPRH-GXSJLCMTSA-N 1 3 315.320 2.413 20 5 DEBDHO CCC(N)(CC)C[NH2+][C@@H](C)CC(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000423289930 405749460 /nfs/dbraw/zinc/74/94/60/405749460.db2.gz YNBRAWWTJNDENA-LBPRGKRZSA-N 1 3 322.409 2.419 20 5 DEBDHO C[C@H](N)[C@H]1COCC[C@@H]1[NH2+]CCCCc1ccc([N+](=O)[O-])cc1 ZINC000422921184 230278905 /nfs/dbraw/zinc/27/89/05/230278905.db2.gz NOYRIYQTVIVOOH-XKQJLSEDSA-N 1 3 321.421 2.259 20 5 DEBDHO CC[NH+](CC)C[C@@H]1CCCC[C@@H]1NCCn1cc([N+](=O)[O-])cn1 ZINC000348362962 535577033 /nfs/dbraw/zinc/57/70/33/535577033.db2.gz DGVLDFKLIHKZBS-HOCLYGCPSA-N 1 3 323.441 2.282 20 5 DEBDHO CCN(CC)C[C@@H]1CCCC[C@@H]1[NH2+]CCn1cc([N+](=O)[O-])cn1 ZINC000348362962 535577038 /nfs/dbraw/zinc/57/70/38/535577038.db2.gz DGVLDFKLIHKZBS-HOCLYGCPSA-N 1 3 323.441 2.282 20 5 DEBDHO C[C@H](CC(=O)Nc1ccc([N+](=O)[O-])cc1)NCC[C@H](C)[NH+](C)C ZINC000895292290 637895982 /nfs/dbraw/zinc/89/59/82/637895982.db2.gz AXVXLDLNFHDVFB-OLZOCXBDSA-N 1 3 322.409 2.242 20 5 DEBDHO C[C@H](CC(=O)Nc1ccc([N+](=O)[O-])cc1)[NH2+]CC[C@H](C)N(C)C ZINC000895292290 637895988 /nfs/dbraw/zinc/89/59/88/637895988.db2.gz AXVXLDLNFHDVFB-OLZOCXBDSA-N 1 3 322.409 2.242 20 5 DEBDHO CN(C)[C@@H]1CCC[C@H]([NH2+]C[C@@H](O)c2ccc([N+](=O)[O-])cc2)C1 ZINC000819133357 647590096 /nfs/dbraw/zinc/59/00/96/647590096.db2.gz OOQRZMUFKVDIBZ-NUEKZKHPSA-N 1 3 307.394 2.091 20 5 DEBDHO CCN1C[C@@H]2C[N@H+]([C@H](C)Cc3ccc([N+](=O)[O-])cc3)C[C@@H]2C1 ZINC001173238396 793657022 /nfs/dbraw/zinc/65/70/22/793657022.db2.gz RFHYBMOTIPLDDW-BMFZPTHFSA-N 1 3 303.406 2.409 20 5 DEBDHO CCN1C[C@@H]2C[N@@H+]([C@H](C)Cc3ccc([N+](=O)[O-])cc3)C[C@@H]2C1 ZINC001173238396 793657025 /nfs/dbraw/zinc/65/70/25/793657025.db2.gz RFHYBMOTIPLDDW-BMFZPTHFSA-N 1 3 303.406 2.409 20 5 DEBDHO C[N+](C)(C)CCCO[C@H]1COCCN(Cc2ccccc2)C1 ZINC001224621668 802886879 /nfs/dbraw/zinc/88/68/79/802886879.db2.gz YPMMYOGGXNKJFR-GOSISDBHSA-N 1 3 307.458 2.000 20 5 DEBDHO CC[NH+]1CCC(C[NH2+]Cc2cc(OC)c([O-])cc2[N+](=O)[O-])CC1 ZINC001620778246 1066649027 /nfs/dbraw/zinc/64/90/27/1066649027.db2.gz JDENNFSICLNLGA-UHFFFAOYSA-N 1 3 323.393 2.131 20 5 DEBDHO CN1CCC[C@]2(CC[N@H+](CCOc3cccc([N+](=O)[O-])c3)C2)C1 ZINC000293045215 530065543 /nfs/dbraw/zinc/06/55/43/530065543.db2.gz STBZFHZIWKLQGI-KRWDZBQOSA-N 1 3 319.405 2.391 20 5 DEBDHO CN1CCC[C@]2(CC[N@@H+](CCOc3cccc([N+](=O)[O-])c3)C2)C1 ZINC000293045215 530065544 /nfs/dbraw/zinc/06/55/44/530065544.db2.gz STBZFHZIWKLQGI-KRWDZBQOSA-N 1 3 319.405 2.391 20 5 DEBDHO C[C@@H]1CCCN(CCOc2cccc([N+](=O)[O-])c2)[C@@H]1CC[NH3+] ZINC000593730830 358132723 /nfs/dbraw/zinc/13/27/23/358132723.db2.gz HZWHYUBPRODLLZ-CZUORRHYSA-N 1 3 307.394 2.423 20 5 DEBDHO C[C@H]([NH2+]CCCCN1CCN(C)CC1)c1ccc([N+](=O)[O-])cc1 ZINC000154420721 402212003 /nfs/dbraw/zinc/21/20/03/402212003.db2.gz HDDDWENCMYFAAN-HNNXBMFYSA-N 1 3 320.437 2.273 20 5 DEBDHO C[C@@H]([NH2+]CCN1CCN(C)C(C)(C)C1)c1cccc([N+](=O)[O-])c1 ZINC000282290730 403140644 /nfs/dbraw/zinc/14/06/44/403140644.db2.gz LQZQHAAEPMKZEU-CQSZACIVSA-N 1 3 320.437 2.271 20 5 DEBDHO CC(C)[C@@H]([NH3+])CCN(C)CCC(=O)Nc1ccccc1[N+](=O)[O-] ZINC000430573940 405459682 /nfs/dbraw/zinc/45/96/82/405459682.db2.gz NGFTUCGTCWRBAM-ZDUSSCGKSA-N 1 3 322.409 2.229 20 5 DEBDHO CCC([NH3+])(CC)CN[C@@H]1CCCC[C@H]1n1ccc([N+](=O)[O-])n1 ZINC000423288851 405749414 /nfs/dbraw/zinc/74/94/14/405749414.db2.gz VKRQGYKFHUKPKO-CHWSQXEVSA-N 1 3 309.414 2.382 20 5 DEBDHO CCN1CCN([C@H](C)C[NH2+][C@H](C)c2ccc([N+](=O)[O-])cc2)CC1 ZINC000155711381 186105512 /nfs/dbraw/zinc/10/55/12/186105512.db2.gz KYDHJKQJIDQERI-HUUCEWRRSA-N 1 3 320.437 2.271 20 5 DEBDHO C[C@H](C[NH2+][C@@H](C)CC(=O)Nc1cccc([N+](=O)[O-])c1)CN(C)C ZINC000293369483 403454557 /nfs/dbraw/zinc/45/45/57/403454557.db2.gz HUZSDELDJQIHHR-OLZOCXBDSA-N 1 3 322.409 2.099 20 5 DEBDHO C[C@H](CN[C@@H](C)CC(=O)Nc1cccc([N+](=O)[O-])c1)C[NH+](C)C ZINC000293369483 403454562 /nfs/dbraw/zinc/45/45/62/403454562.db2.gz HUZSDELDJQIHHR-OLZOCXBDSA-N 1 3 322.409 2.099 20 5 DEBDHO COc1ccc(CN2CC[C@H]3C[NH2+]C[C@H]3CC2)cc1[N+](=O)[O-] ZINC000320605237 404067225 /nfs/dbraw/zinc/06/72/25/404067225.db2.gz AUFRPFNSTKOLRV-OKILXGFUSA-N 1 3 305.378 2.035 20 5 DEBDHO COc1cc(CNC[C@@H]2CCC[C@@H]([NH3+])C2)c([N+](=O)[O-])cc1OC ZINC000415000752 404785619 /nfs/dbraw/zinc/78/56/19/404785619.db2.gz UCJOPVXEZUWNKR-DGCLKSJQSA-N 1 3 323.393 2.219 20 5 DEBDHO O=[N+]([O-])c1ccccc1OCCN1CCC([C@@H]2CCC[NH2+]2)CC1 ZINC000420333775 405323253 /nfs/dbraw/zinc/32/32/53/405323253.db2.gz FRPOFVCBKIPNQV-HNNXBMFYSA-N 1 3 319.405 2.438 20 5 DEBDHO C[C@H](CC(=O)Nc1ccc([N+](=O)[O-])cc1)N[C@H]1CCC[C@H]([NH3+])C1 ZINC000423367582 405780640 /nfs/dbraw/zinc/78/06/40/405780640.db2.gz CUQPNHYRIKGQSQ-DYEKYZERSA-N 1 3 320.393 2.171 20 5 DEBDHO C[C@H](CC(=O)Nc1ccc([N+](=O)[O-])cc1)[NH2+][C@H]1CCC[C@H](N)C1 ZINC000423367582 405780644 /nfs/dbraw/zinc/78/06/44/405780644.db2.gz CUQPNHYRIKGQSQ-DYEKYZERSA-N 1 3 320.393 2.171 20 5 DEBDHO C[C@@H]1C[NH2+]CCC[C@@H]1CNc1cc2c(cc1[N+](=O)[O-])CNC2 ZINC001162467611 799094924 /nfs/dbraw/zinc/09/49/24/799094924.db2.gz REXXFYSCEJXIDV-VXGBXAGGSA-N 1 3 304.394 2.246 20 5 DEBDHO C[C@@H](Cc1ccccc1[N+](=O)[O-])N1C[C@@H]2C[N@@H+](C)CC[C@@H]2C1 ZINC001254559972 1143249000 /nfs/dbraw/zinc/24/90/00/1143249000.db2.gz DFXGWQYXEMTBJU-IMJJTQAJSA-N 1 3 303.406 2.409 20 5 DEBDHO C[C@@H](Cc1ccccc1[N+](=O)[O-])N1C[C@@H]2C[N@H+](C)CC[C@@H]2C1 ZINC001254559972 1143249013 /nfs/dbraw/zinc/24/90/13/1143249013.db2.gz DFXGWQYXEMTBJU-IMJJTQAJSA-N 1 3 303.406 2.409 20 5 DEBDHO CC(C)c1ccc(C[NH2+]CC2(O)CCN(C)CC2)cc1[N+](=O)[O-] ZINC000077450454 355205887 /nfs/dbraw/zinc/20/58/87/355205887.db2.gz VTUFBOAOEXCDPK-UHFFFAOYSA-N 1 3 321.421 2.265 20 5 DEBDHO [NH3+][C@@H]1CCO[C@H]([C@@H]2CCCN(Cc3ccccc3[N+](=O)[O-])C2)C1 ZINC000593314263 358052696 /nfs/dbraw/zinc/05/26/96/358052696.db2.gz BLWYLHQEZTZTAC-INMHGKMJSA-N 1 3 319.405 2.313 20 5 DEBDHO Cc1c([C@H](C)[NH2+]CC2(O)CCN(C)CC2)cccc1[N+](=O)[O-] ZINC000268974724 207138108 /nfs/dbraw/zinc/13/81/08/207138108.db2.gz IYWOPSQCNNGKCC-ZDUSSCGKSA-N 1 3 307.394 2.011 20 5 DEBDHO COc1ccc(CN2CCC[C@@H]([C@@H]3CC[NH2+]C3)C2)cc1[N+](=O)[O-] ZINC000414779556 404732410 /nfs/dbraw/zinc/73/24/10/404732410.db2.gz KKNJHBDTIASNQY-HUUCEWRRSA-N 1 3 319.405 2.425 20 5 DEBDHO C[C@H](CCC[NH3+])NCc1cc([N+](=O)[O-])ccc1OC(F)F ZINC000415026557 404790267 /nfs/dbraw/zinc/79/02/67/404790267.db2.gz UOVDDWQSIGAXJG-SECBINFHSA-N 1 3 303.309 2.413 20 5 DEBDHO CC(C)[NH2+]CCCN[C@H]1CCCC[C@H]1n1ccc([N+](=O)[O-])n1 ZINC000568499462 292345034 /nfs/dbraw/zinc/34/50/34/292345034.db2.gz CQJRRWILHIUULL-UONOGXRCSA-N 1 3 309.414 2.253 20 5 DEBDHO [NH3+]C[C@@H]1CCN(CCc2ncc(-c3cccc([N+](=O)[O-])c3)o2)C1 ZINC000430959870 405548408 /nfs/dbraw/zinc/54/84/08/405548408.db2.gz FGELNNVXHFHFLF-LBPRGKRZSA-N 1 3 316.361 2.073 20 5 DEBDHO CCCN(CCOc1ccc([N+](=O)[O-])cc1)C1CC[NH2+]CC1 ZINC000431100546 405577295 /nfs/dbraw/zinc/57/72/95/405577295.db2.gz VNRAKUFLHAYOAB-UHFFFAOYSA-N 1 3 307.394 2.438 20 5 DEBDHO CCC[N@H+](CCOc1ccc([N+](=O)[O-])cc1)C1CCNCC1 ZINC000431100546 405577303 /nfs/dbraw/zinc/57/73/03/405577303.db2.gz VNRAKUFLHAYOAB-UHFFFAOYSA-N 1 3 307.394 2.438 20 5 DEBDHO CCC[N@@H+](CCOc1ccc([N+](=O)[O-])cc1)C1CCNCC1 ZINC000431100546 405577310 /nfs/dbraw/zinc/57/73/10/405577310.db2.gz VNRAKUFLHAYOAB-UHFFFAOYSA-N 1 3 307.394 2.438 20 5 DEBDHO CC[NH+](CC)C[C@@H]1CCCC[C@H]1NCCn1cc([N+](=O)[O-])cn1 ZINC000348362961 535580750 /nfs/dbraw/zinc/58/07/50/535580750.db2.gz DGVLDFKLIHKZBS-GOEBONIOSA-N 1 3 323.441 2.282 20 5 DEBDHO CCN(CC)C[C@@H]1CCCC[C@H]1[NH2+]CCn1cc([N+](=O)[O-])cn1 ZINC000348362961 535580754 /nfs/dbraw/zinc/58/07/54/535580754.db2.gz DGVLDFKLIHKZBS-GOEBONIOSA-N 1 3 323.441 2.282 20 5 DEBDHO C[C@H](c1cccc([N+](=O)[O-])c1)N1CCC2(CO[C@H](C[NH3+])C2)CC1 ZINC000923455011 637185664 /nfs/dbraw/zinc/18/56/64/637185664.db2.gz RUTBZHCPDGNULH-CJNGLKHVSA-N 1 3 319.405 2.486 20 5 DEBDHO C[C@@H]([NH3+])[C@H]1COCC[C@H]1NC[C@@H](C)c1ccccc1[N+](=O)[O-] ZINC000902429045 643034935 /nfs/dbraw/zinc/03/49/35/643034935.db2.gz JMSFSNQUUFCSOQ-QHSBEEBCSA-N 1 3 307.394 2.040 20 5 DEBDHO COc1ccc(C[C@H](C)NC[C@@H]2C[NH2+]CC[C@@H]2C)c([N+](=O)[O-])c1 ZINC001246121906 1140863347 /nfs/dbraw/zinc/86/33/47/1140863347.db2.gz VHLPYHJJPCHWET-YDHLFZDLSA-N 1 3 321.421 2.370 20 5 DEBDHO COc1ccc([N+](=O)[O-])cc1CN[C@@H]1CC[C@@H]2C[NH2+]C[C@H]2C1 ZINC000592469634 357882550 /nfs/dbraw/zinc/88/25/50/357882550.db2.gz XKZBNISXYMIOAJ-YRGRVCCFSA-N 1 3 305.378 2.081 20 5 DEBDHO CCN1CC[C@@H]([NH2+]Cc2ccc(OC)c([N+](=O)[O-])c2)[C@H](C)C1 ZINC000266059678 205065058 /nfs/dbraw/zinc/06/50/58/205065058.db2.gz AMAPRNRDNLXPFH-TZMCWYRMSA-N 1 3 307.394 2.423 20 5 DEBDHO C[NH+](C)CC1CCN(CCOc2cccc([N+](=O)[O-])c2)CC1 ZINC000341187481 403815289 /nfs/dbraw/zinc/81/52/89/403815289.db2.gz NHZFRYRMNCYPHV-UHFFFAOYSA-N 1 3 307.394 2.247 20 5 DEBDHO [NH3+][C@@H]1CCC[C@H]2CN(CCOc3cccc([N+](=O)[O-])c3)C[C@H]21 ZINC000342106094 404370742 /nfs/dbraw/zinc/37/07/42/404370742.db2.gz OSBJGJJOULENJA-APHBMKBZSA-N 1 3 305.378 2.033 20 5 DEBDHO O=[N+]([O-])c1ccccc1C[C@@H]1CCC[C@@H]1N[C@@H]1[C@H]2C[NH2+]C[C@H]21 ZINC000415046592 404794992 /nfs/dbraw/zinc/79/49/92/404794992.db2.gz XPJMWFBNXQBHAF-FUAJKEFHSA-N 1 3 301.390 2.113 20 5 DEBDHO [NH3+][C@H]1CCO[C@H](C2CCN(Cc3ccc([N+](=O)[O-])cc3)CC2)C1 ZINC000415123887 404813268 /nfs/dbraw/zinc/81/32/68/404813268.db2.gz LRLGZOBHJDKGHZ-RDJZCZTQSA-N 1 3 319.405 2.313 20 5 DEBDHO CC(C)[NH2+]CCCN[C@@H]1CCCC[C@@H]1n1ccc([N+](=O)[O-])n1 ZINC000568499461 292344914 /nfs/dbraw/zinc/34/49/14/292344914.db2.gz CQJRRWILHIUULL-KGLIPLIRSA-N 1 3 309.414 2.253 20 5 DEBDHO CN1CC=C(C[NH2+][C@@H]2CCCC[C@H]2n2ccc([N+](=O)[O-])n2)CC1 ZINC000447572507 405418311 /nfs/dbraw/zinc/41/83/11/405418311.db2.gz CHKFWIZNOLHTGA-HUUCEWRRSA-N 1 3 319.409 2.127 20 5 DEBDHO O=[N+]([O-])c1ccc(OCCNC2CC[NH+](C3CC3)CC2)cc1 ZINC000571738825 406558499 /nfs/dbraw/zinc/55/84/99/406558499.db2.gz KBKJIUISWRKYAL-UHFFFAOYSA-N 1 3 305.378 2.190 20 5 DEBDHO Cc1ccc(CN2CCC3(CO[C@H](C[NH3+])C3)CC2)cc1[N+](=O)[O-] ZINC000923447981 637183343 /nfs/dbraw/zinc/18/33/43/637183343.db2.gz YYYUHTMVJFLTFD-HNNXBMFYSA-N 1 3 319.405 2.233 20 5 DEBDHO C[C@@H](c1cccc([N+](=O)[O-])c1)N1CCC2(CO[C@@H](C[NH3+])C2)CC1 ZINC000923455016 637186760 /nfs/dbraw/zinc/18/67/60/637186760.db2.gz RUTBZHCPDGNULH-XJKSGUPXSA-N 1 3 319.405 2.486 20 5 DEBDHO CCN1CC[C@H]([NH2+]Cc2ccc(OC)c([N+](=O)[O-])c2)[C@@H](C)C1 ZINC000266059674 205065785 /nfs/dbraw/zinc/06/57/85/205065785.db2.gz AMAPRNRDNLXPFH-JSGCOSHPSA-N 1 3 307.394 2.423 20 5 DEBDHO COc1ccc(CN2CCC3(C2)CC[NH2+]CC3)cc1[N+](=O)[O-] ZINC000261971004 145248638 /nfs/dbraw/zinc/24/86/38/145248638.db2.gz IFQQWFKRJWQJSG-UHFFFAOYSA-N 1 3 305.378 2.179 20 5 DEBDHO [NH3+][C@@H]1CCC[C@@H]2CN(CCOc3cccc([N+](=O)[O-])c3)C[C@H]21 ZINC000342106095 404370194 /nfs/dbraw/zinc/37/01/94/404370194.db2.gz OSBJGJJOULENJA-DAXOMENPSA-N 1 3 305.378 2.033 20 5 DEBDHO CC(C)C[C@@H](C[NH3+])N[C@@H](C)CC(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000423259449 405739573 /nfs/dbraw/zinc/73/95/73/405739573.db2.gz DSVFUKXTFZGGQU-JSGCOSHPSA-N 1 3 322.409 2.275 20 5 DEBDHO COc1ccc(C[NH2+][C@@H]2C[C@@H](C)N(C)C[C@@H]2C)cc1[N+](=O)[O-] ZINC000358027391 536898961 /nfs/dbraw/zinc/89/89/61/536898961.db2.gz RBIADXIJEULZCW-OUCADQQQSA-N 1 3 307.394 2.422 20 5 DEBDHO CN1CCC[C@]2(CC[N@H+](C[C@@H](O)c3ccc([N+](=O)[O-])cc3)C2)C1 ZINC000815142942 646978932 /nfs/dbraw/zinc/97/89/32/646978932.db2.gz ADHKNKUZVZDULA-SJORKVTESA-N 1 3 319.405 2.046 20 5 DEBDHO CN1CCC[C@]2(CC[N@@H+](C[C@@H](O)c3ccc([N+](=O)[O-])cc3)C2)C1 ZINC000815142942 646978933 /nfs/dbraw/zinc/97/89/33/646978933.db2.gz ADHKNKUZVZDULA-SJORKVTESA-N 1 3 319.405 2.046 20 5 DEBDHO COc1ccc([N+](=O)[O-])c(C[C@H](C)NCCC[NH+](C)C)c1F ZINC001173174830 793617457 /nfs/dbraw/zinc/61/74/57/793617457.db2.gz DCIOHMNOILJHSE-NSHDSACASA-N 1 3 313.373 2.215 20 5 DEBDHO COc1ccc(C[C@@H](C)[NH2+]CC2(N)CCCC2)c([N+](=O)[O-])c1 ZINC001246075672 1140857914 /nfs/dbraw/zinc/85/79/14/1140857914.db2.gz MJFDILOFGNFCAB-GFCCVEGCSA-N 1 3 307.394 2.396 20 5 DEBDHO CCCN1C[C@@H]2C[N@H+]([C@H]3Cc4ccc([N+](=O)[O-])cc4C3)C[C@@H]2C1 ZINC001254610517 1143281536 /nfs/dbraw/zinc/28/15/36/1143281536.db2.gz KLFCFTGZIHRVPP-JZXOWHBKSA-N 1 3 315.417 2.336 20 5 DEBDHO CCCN1C[C@@H]2C[N@@H+]([C@H]3Cc4ccc([N+](=O)[O-])cc4C3)C[C@@H]2C1 ZINC001254610517 1143281550 /nfs/dbraw/zinc/28/15/50/1143281550.db2.gz KLFCFTGZIHRVPP-JZXOWHBKSA-N 1 3 315.417 2.336 20 5 DEBDHO CCC[N@H+]1C[C@H]2CN([C@H]3Cc4ccc([N+](=O)[O-])cc4C3)C[C@H]2C1 ZINC001254610517 1143281562 /nfs/dbraw/zinc/28/15/62/1143281562.db2.gz KLFCFTGZIHRVPP-JZXOWHBKSA-N 1 3 315.417 2.336 20 5 DEBDHO CCC[N@@H+]1C[C@H]2CN([C@H]3Cc4ccc([N+](=O)[O-])cc4C3)C[C@H]2C1 ZINC001254610517 1143281570 /nfs/dbraw/zinc/28/15/70/1143281570.db2.gz KLFCFTGZIHRVPP-JZXOWHBKSA-N 1 3 315.417 2.336 20 5 DEBDHO CCC[C@@H]([NH2+]CC1(O)CCN(C)CC1)c1cccc([N+](=O)[O-])c1 ZINC000268987497 207145193 /nfs/dbraw/zinc/14/51/93/207145193.db2.gz LTIVYVCCDNMOIN-MRXNPFEDSA-N 1 3 321.421 2.482 20 5 DEBDHO C[C@@H]1C[C@H](CN2CCN(c3cccc([N+](=O)[O-])c3)CC2)CC[NH2+]1 ZINC000414696505 404710570 /nfs/dbraw/zinc/71/05/70/404710570.db2.gz GCPQYBDLXJJKKY-HUUCEWRRSA-N 1 3 318.421 2.105 20 5 DEBDHO C[C@H](CC(=O)Nc1ccc([N+](=O)[O-])cc1)[NH2+]C[C@H](C)CN(C)C ZINC000425945432 405331996 /nfs/dbraw/zinc/33/19/96/405331996.db2.gz QUPABLWFMCITMQ-QWHCGFSZSA-N 1 3 322.409 2.099 20 5 DEBDHO C[C@H](CC(=O)Nc1ccc([N+](=O)[O-])cc1)NC[C@H](C)C[NH+](C)C ZINC000425945432 405331998 /nfs/dbraw/zinc/33/19/98/405331998.db2.gz QUPABLWFMCITMQ-QWHCGFSZSA-N 1 3 322.409 2.099 20 5 DEBDHO O=[N+]([O-])c1ccn([C@@H]2CCCC[C@H]2[NH2+]CCCN2CCCC2)n1 ZINC000447519447 405416990 /nfs/dbraw/zinc/41/69/90/405416990.db2.gz YNALITKOGDJPDG-HUUCEWRRSA-N 1 3 321.425 2.351 20 5 DEBDHO O=[N+]([O-])c1ccn([C@@H]2CCCC[C@H]2NCCC[NH+]2CCCC2)n1 ZINC000447519447 405416993 /nfs/dbraw/zinc/41/69/93/405416993.db2.gz YNALITKOGDJPDG-HUUCEWRRSA-N 1 3 321.425 2.351 20 5 DEBDHO CC(C)C[C@@H](C[NH3+])N[C@H](C)CC(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000423259450 405740653 /nfs/dbraw/zinc/74/06/53/405740653.db2.gz DSVFUKXTFZGGQU-OCCSQVGLSA-N 1 3 322.409 2.275 20 5 DEBDHO C[C@H](CC(=O)Nc1ccc([N+](=O)[O-])cc1)N[C@H]1CCC[C@@H]([NH3+])C1 ZINC000423367581 405779987 /nfs/dbraw/zinc/77/99/87/405779987.db2.gz CUQPNHYRIKGQSQ-BZPMIXESSA-N 1 3 320.393 2.171 20 5 DEBDHO C[C@H](CC(=O)Nc1ccc([N+](=O)[O-])cc1)[NH2+][C@H]1CCC[C@@H](N)C1 ZINC000423367581 405779997 /nfs/dbraw/zinc/77/99/97/405779997.db2.gz CUQPNHYRIKGQSQ-BZPMIXESSA-N 1 3 320.393 2.171 20 5 DEBDHO CC[NH+]1CCC(C[NH2+]Cc2ccc([O-])c(OC)c2[N+](=O)[O-])CC1 ZINC000892939022 625741282 /nfs/dbraw/zinc/74/12/82/625741282.db2.gz LGKMUKABDFLMFS-UHFFFAOYSA-N 1 3 323.393 2.131 20 5 DEBDHO COc1ccc(C[C@H](C)NC[C@H]2CCC[NH2+]C2)c([N+](=O)[O-])c1 ZINC001246198291 1140872031 /nfs/dbraw/zinc/87/20/31/1140872031.db2.gz ORCXGUHUKCQHPW-STQMWFEESA-N 1 3 307.394 2.124 20 5 DEBDHO [NH3+][C@@H]1CCO[C@@H](C2CCN(Cc3ccc([N+](=O)[O-])cc3)CC2)C1 ZINC000415123884 404813109 /nfs/dbraw/zinc/81/31/09/404813109.db2.gz LRLGZOBHJDKGHZ-NVXWUHKLSA-N 1 3 319.405 2.313 20 5 DEBDHO [NH3+][C@H]1CCCO[C@H]1C1CCN(Cc2ccc([N+](=O)[O-])cc2)CC1 ZINC000415130126 404814687 /nfs/dbraw/zinc/81/46/87/404814687.db2.gz QLMYSJDMSRITDK-IRXDYDNUSA-N 1 3 319.405 2.313 20 5 DEBDHO O=[N+]([O-])c1cccc(OCCN2CCC([C@@H]3CCC[NH2+]3)CC2)c1 ZINC000420332568 405322618 /nfs/dbraw/zinc/32/26/18/405322618.db2.gz DFZGXMAYTVGRIM-KRWDZBQOSA-N 1 3 319.405 2.438 20 5 DEBDHO CC(C)[C@H]([NH3+])CCN(C)CCC(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000430600491 405464574 /nfs/dbraw/zinc/46/45/74/405464574.db2.gz SAVXZIKDEKUNRE-OAHLLOKOSA-N 1 3 322.409 2.229 20 5 DEBDHO C[C@@H]1CCCCN1CCC[NH2+]C1CC(n2cc([N+](=O)[O-])cn2)C1 ZINC000876897480 689967557 /nfs/dbraw/zinc/96/75/57/689967557.db2.gz UEXCFANMDHEJLX-WLYUNCDWSA-N 1 3 321.425 2.349 20 5 DEBDHO O=[N+]([O-])c1ncccc1CN1CCC[C@H](C2CC[NH2+]CC2)C1 ZINC000886841695 692207840 /nfs/dbraw/zinc/20/78/40/692207840.db2.gz SMJWIRGCAMLYMU-AWEZNQCLSA-N 1 3 304.394 2.201 20 5 DEBDHO CCCN1C[C@@H]2C[NH+]([C@H]3Cc4ccc([N+](=O)[O-])cc4C3)C[C@H]2C1 ZINC001254610519 1143282470 /nfs/dbraw/zinc/28/24/70/1143282470.db2.gz KLFCFTGZIHRVPP-NUJGCVRESA-N 1 3 315.417 2.336 20 5 DEBDHO CCC[NH+]1C[C@@H]2CN([C@H]3Cc4ccc([N+](=O)[O-])cc4C3)C[C@H]2C1 ZINC001254610519 1143282475 /nfs/dbraw/zinc/28/24/75/1143282475.db2.gz KLFCFTGZIHRVPP-NUJGCVRESA-N 1 3 315.417 2.336 20 5 DEBDHO C[C@H](NCCn1ccc([N+](=O)[O-])n1)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000185682862 356209558 /nfs/dbraw/zinc/20/95/58/356209558.db2.gz QBSCOGIHPYJTNP-UONOGXRCSA-N 1 3 321.425 2.034 20 5 DEBDHO C[C@H](NCCn1ccc([N+](=O)[O-])n1)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC000185682862 356209561 /nfs/dbraw/zinc/20/95/61/356209561.db2.gz QBSCOGIHPYJTNP-UONOGXRCSA-N 1 3 321.425 2.034 20 5 DEBDHO C[C@H]([NH2+]CCn1ccc([N+](=O)[O-])n1)[C@@H]1CCCN(C2CCC2)C1 ZINC000185682862 356209566 /nfs/dbraw/zinc/20/95/66/356209566.db2.gz QBSCOGIHPYJTNP-UONOGXRCSA-N 1 3 321.425 2.034 20 5 DEBDHO COc1ccc([N+](=O)[O-])cc1CN[C@@H]1CC[C@H]2C[NH2+]C[C@H]2C1 ZINC000592469632 357882447 /nfs/dbraw/zinc/88/24/47/357882447.db2.gz XKZBNISXYMIOAJ-OUCADQQQSA-N 1 3 305.378 2.081 20 5 DEBDHO [NH3+]C1(CN[C@H]2CCCC[C@H]2n2ccc([N+](=O)[O-])n2)CCCC1 ZINC000596648239 358732157 /nfs/dbraw/zinc/73/21/57/358732157.db2.gz MXZWERZSNWKPSR-QWHCGFSZSA-N 1 3 307.398 2.136 20 5 DEBDHO C[C@H](N)[C@H]1COCC[C@H]1[NH2+]CCCCc1ccc([N+](=O)[O-])cc1 ZINC000422921181 230277915 /nfs/dbraw/zinc/27/79/15/230277915.db2.gz NOYRIYQTVIVOOH-IAOVAPTHSA-N 1 3 321.421 2.259 20 5 DEBDHO C[C@H]1CNCC[C@@H]1[NH2+]C1CCN(c2ccc([N+](=O)[O-])cc2)CC1 ZINC000841064704 650419659 /nfs/dbraw/zinc/41/96/59/650419659.db2.gz UEZGQBXKOQHNRL-GUYCJALGSA-N 1 3 318.421 2.151 20 5 DEBDHO O=[N+]([O-])c1ncccc1CN1CCC[C@@H]([C@H]2CCC[NH2+]C2)C1 ZINC000886838272 692206595 /nfs/dbraw/zinc/20/65/95/692206595.db2.gz URCUXYYNYNRZAV-UONOGXRCSA-N 1 3 304.394 2.201 20 5 DEBDHO Cc1cc(NC(=N)NCCCC[NH3+])nc2ccc([N+](=O)[O-])cc12 ZINC001157094492 798143038 /nfs/dbraw/zinc/14/30/38/798143038.db2.gz RLZNUTOOKXLEOO-UHFFFAOYSA-N 1 3 316.365 2.127 20 5 DEBDHO CC1(C)CNCC[C@@H]1[NH2+]CCCOc1ccc([N+](=O)[O-])cc1 ZINC001576482550 1066620393 /nfs/dbraw/zinc/62/03/93/1066620393.db2.gz ZDZUWIYPUPBFMO-HNNXBMFYSA-N 1 3 307.394 2.341 20 5 DEBDHO C[N@H+](CCCN1CCCC1)[C@H]1Cc2ccc([N+](=O)[O-])cc2C1 ZINC001254600906 1143273877 /nfs/dbraw/zinc/27/38/77/1143273877.db2.gz SEMFCQIEIVCTAI-KRWDZBQOSA-N 1 3 303.406 2.480 20 5 DEBDHO C[N@@H+](CCCN1CCCC1)[C@H]1Cc2ccc([N+](=O)[O-])cc2C1 ZINC001254600906 1143273884 /nfs/dbraw/zinc/27/38/84/1143273884.db2.gz SEMFCQIEIVCTAI-KRWDZBQOSA-N 1 3 303.406 2.480 20 5 DEBDHO C[C@@H]([NH3+])C[C@H](C)NCc1cn(C)nc1-c1ccc([N+](=O)[O-])cc1 ZINC000592438266 357877475 /nfs/dbraw/zinc/87/74/75/357877475.db2.gz IFEJRBAZMANVCB-NEPJUHHUSA-N 1 3 317.393 2.211 20 5 DEBDHO Cc1ccc([C@H](C)[NH2+]CC2(O)CCN(C)CC2)cc1[N+](=O)[O-] ZINC000268972152 207134185 /nfs/dbraw/zinc/13/41/85/207134185.db2.gz IFTQYCHQEUNABJ-ZDUSSCGKSA-N 1 3 307.394 2.011 20 5 DEBDHO CC(C)C[C@H](C[NH3+])N[C@H](C)CC(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000423259451 405740559 /nfs/dbraw/zinc/74/05/59/405740559.db2.gz DSVFUKXTFZGGQU-TZMCWYRMSA-N 1 3 322.409 2.275 20 5 DEBDHO CCC(N)(CC)C[NH2+][C@H](C)CC(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000423289929 405749326 /nfs/dbraw/zinc/74/93/26/405749326.db2.gz YNBRAWWTJNDENA-GFCCVEGCSA-N 1 3 322.409 2.419 20 5 DEBDHO C[C@H](CC(=O)Nc1ccc([N+](=O)[O-])cc1)N[C@@H]1CCC[C@H]([NH3+])C1 ZINC000423367583 405780596 /nfs/dbraw/zinc/78/05/96/405780596.db2.gz CUQPNHYRIKGQSQ-MBNYWOFBSA-N 1 3 320.393 2.171 20 5 DEBDHO C[C@H](CC(=O)Nc1ccc([N+](=O)[O-])cc1)[NH2+][C@@H]1CCC[C@H](N)C1 ZINC000423367583 405780601 /nfs/dbraw/zinc/78/06/01/405780601.db2.gz CUQPNHYRIKGQSQ-MBNYWOFBSA-N 1 3 320.393 2.171 20 5 DEBDHO C[C@H]([NH2+]C1C[C@H]2CC[C@@H](C1)N2C)c1ccc(N)c([N+](=O)[O-])c1 ZINC000296648764 533814324 /nfs/dbraw/zinc/81/43/24/533814324.db2.gz YQOZNGFLQTXMHH-HLVVYCRESA-N 1 3 304.394 2.453 20 5 DEBDHO C[C@H]([NH3+])[C@H]1COCC[C@H]1NC[C@@H](C)c1ccccc1[N+](=O)[O-] ZINC000902429042 643035323 /nfs/dbraw/zinc/03/53/23/643035323.db2.gz JMSFSNQUUFCSOQ-AYRXBEOTSA-N 1 3 307.394 2.040 20 5 DEBDHO CCOc1ccc([N+](=O)[O-])cc1CN1C[C@@H](C)[C@H](CC[NH3+])C1 ZINC000903497305 643372322 /nfs/dbraw/zinc/37/23/22/643372322.db2.gz UXNXVWNSNBFWAK-CHWSQXEVSA-N 1 3 307.394 2.410 20 5 DEBDHO CCN1C[C@@H]2C[NH+]([C@H](C)Cc3ccc([N+](=O)[O-])cc3)C[C@H]2C1 ZINC001173238398 793656437 /nfs/dbraw/zinc/65/64/37/793656437.db2.gz RFHYBMOTIPLDDW-FVQBIDKESA-N 1 3 303.406 2.409 20 5 DEBDHO O=[N+]([O-])c1cc2c(cc1NC[C@@]1(F)CCCC[NH2+]C1)CNC2 ZINC001162583602 799124102 /nfs/dbraw/zinc/12/41/02/799124102.db2.gz PWUGULBQKIEAAY-OAHLLOKOSA-N 1 3 308.357 2.092 20 5 DEBDHO CCC(CC)(C[NH3+])CN1CC[C@H](Nc2ccc([N+](=O)[O-])cn2)C1 ZINC001577050762 1066753505 /nfs/dbraw/zinc/75/35/05/1066753505.db2.gz CNRPKANQYTYGCX-ZDUSSCGKSA-N 1 3 321.425 2.241 20 5 DEBDHO O=[N+]([O-])c1cnn(CC[NH2+]C2CCN(C3CCCCC3)CC2)c1 ZINC000090539292 355563278 /nfs/dbraw/zinc/56/32/78/355563278.db2.gz LSURFDRTGZRXPP-UHFFFAOYSA-N 1 3 321.425 2.178 20 5 DEBDHO O=[N+]([O-])c1ccn([C@@H]2CCCC[C@@H]2N[C@H]2CCC[NH2+]CC2)n1 ZINC000591578377 357737627 /nfs/dbraw/zinc/73/76/27/357737627.db2.gz XMEMTOCBKRFLQY-MELADBBJSA-N 1 3 307.398 2.007 20 5 DEBDHO O=[N+]([O-])c1ccn([C@@H]2CCCC[C@@H]2[NH2+][C@H]2CCCNCC2)n1 ZINC000591578377 357737633 /nfs/dbraw/zinc/73/76/33/357737633.db2.gz XMEMTOCBKRFLQY-MELADBBJSA-N 1 3 307.398 2.007 20 5 DEBDHO [NH3+][C@@H]1CCO[C@@H]([C@@H]2CCCN(Cc3ccccc3[N+](=O)[O-])C2)C1 ZINC000593314259 358052644 /nfs/dbraw/zinc/05/26/44/358052644.db2.gz BLWYLHQEZTZTAC-BFYDXBDKSA-N 1 3 319.405 2.313 20 5 DEBDHO Cc1ccc([N+](=O)[O-])cc1[C@@H](C)[NH2+]CC1(O)CCN(C)CC1 ZINC000531976444 284635275 /nfs/dbraw/zinc/63/52/75/284635275.db2.gz GQCXUVDVIZCDDB-CYBMUJFWSA-N 1 3 307.394 2.011 20 5 DEBDHO O=[N+]([O-])c1ccccc1N1CCN(CC[C@H]2CCC[NH2+]C2)CC1 ZINC000420303550 285163608 /nfs/dbraw/zinc/16/36/08/285163608.db2.gz KQYGVIJOGWOFEF-OAHLLOKOSA-N 1 3 318.421 2.107 20 5 DEBDHO CC1(C)C[NH2+]CC[C@H](NCCOc2ccc([N+](=O)[O-])cc2)C1 ZINC000902359602 643018498 /nfs/dbraw/zinc/01/84/98/643018498.db2.gz DVFDHEJJNKPCQS-ZDUSSCGKSA-N 1 3 307.394 2.341 20 5 DEBDHO C[C@@H](CC[NH2+]C1CC(n2cc([N+](=O)[O-])cn2)C1)N1CCCCC1 ZINC000877315272 690074677 /nfs/dbraw/zinc/07/46/77/690074677.db2.gz MLYGWQRNHLBJIJ-NFOMZHRRSA-N 1 3 321.425 2.349 20 5 DEBDHO CCC1([NH3+])CCN([C@@H]2CCCC[C@H]2n2ccc([N+](=O)[O-])n2)CC1 ZINC000925757143 693336428 /nfs/dbraw/zinc/33/64/28/693336428.db2.gz CZGVJFUHZGQPRE-ZIAGYGMSSA-N 1 3 321.425 2.478 20 5 DEBDHO COc1ccc([N+](=O)[O-])c(C[C@H](C)[NH2+][C@@H]2CCC[C@@H]2N)c1F ZINC001173182576 793621831 /nfs/dbraw/zinc/62/18/31/793621831.db2.gz HJTOYFYMYUBTNP-ZMLRMANQSA-N 1 3 311.357 2.143 20 5 DEBDHO C[C@@H](NCCn1ccc([N+](=O)[O-])n1)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000185682878 356208982 /nfs/dbraw/zinc/20/89/82/356208982.db2.gz QBSCOGIHPYJTNP-ZIAGYGMSSA-N 1 3 321.425 2.034 20 5 DEBDHO C[C@@H](NCCn1ccc([N+](=O)[O-])n1)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC000185682878 356208986 /nfs/dbraw/zinc/20/89/86/356208986.db2.gz QBSCOGIHPYJTNP-ZIAGYGMSSA-N 1 3 321.425 2.034 20 5 DEBDHO C[C@@H]([NH2+]CCn1ccc([N+](=O)[O-])n1)[C@@H]1CCCN(C2CCC2)C1 ZINC000185682878 356208992 /nfs/dbraw/zinc/20/89/92/356208992.db2.gz QBSCOGIHPYJTNP-ZIAGYGMSSA-N 1 3 321.425 2.034 20 5 DEBDHO [NH3+][C@@H]1CCO[C@H]([C@@H]2CCCN(Cc3ccc([N+](=O)[O-])cc3)C2)C1 ZINC000593315372 358053166 /nfs/dbraw/zinc/05/31/66/358053166.db2.gz IZKROUMLSFMGHE-INMHGKMJSA-N 1 3 319.405 2.313 20 5 DEBDHO C[C@@H](CC(=O)Nc1ccc([N+](=O)[O-])cc1)[NH2+]CC1(N)CCCC1 ZINC000596648228 358732117 /nfs/dbraw/zinc/73/21/17/358732117.db2.gz MNSBLXNWMIQBCN-LBPRGKRZSA-N 1 3 320.393 2.173 20 5 DEBDHO COc1ccc(OCCN2CCC(CC[NH3+])CC2)c([N+](=O)[O-])c1 ZINC000563816353 292074692 /nfs/dbraw/zinc/07/46/92/292074692.db2.gz LJXUVIBYYGHBFY-UHFFFAOYSA-N 1 3 323.393 2.043 20 5 DEBDHO CN1CCC(O)(C[NH2+][C@H]2CCCc3ccc([N+](=O)[O-])cc32)CC1 ZINC000278680352 402869516 /nfs/dbraw/zinc/86/95/16/402869516.db2.gz JTWZIYLMHAOTEE-INIZCTEOSA-N 1 3 319.405 2.019 20 5 DEBDHO C[C@@H](c1ccccc1[N+](=O)[O-])N(C)CCCN(C)CC[NH+](C)C ZINC000344059335 403882980 /nfs/dbraw/zinc/88/29/80/403882980.db2.gz LPXOXYJPMUTLLS-HNNXBMFYSA-N 1 3 322.453 2.471 20 5 DEBDHO [NH3+][C@@H]1CCC[C@H]2CN(CCOc3ccc([N+](=O)[O-])cc3)C[C@@H]21 ZINC000342094237 404362577 /nfs/dbraw/zinc/36/25/77/404362577.db2.gz FCPFXOJZLLDNOA-VBNZEHGJSA-N 1 3 305.378 2.033 20 5 DEBDHO [NH3+][C@@H]1CCCO[C@H]1C1CCN(Cc2ccc([N+](=O)[O-])cc2)CC1 ZINC000415130127 404814699 /nfs/dbraw/zinc/81/46/99/404814699.db2.gz QLMYSJDMSRITDK-SJORKVTESA-N 1 3 319.405 2.313 20 5 DEBDHO O=[N+]([O-])c1ccccc1OCCN1CCC[C@@H]([C@@H]2CC[NH2+]C2)C1 ZINC000420321034 405318633 /nfs/dbraw/zinc/31/86/33/405318633.db2.gz CDSBSIPYVHJSRP-HUUCEWRRSA-N 1 3 319.405 2.295 20 5 DEBDHO CCCN1CCC([N@H+](C)C[C@H](O)c2ccc([N+](=O)[O-])cc2)CC1 ZINC000776592047 642190822 /nfs/dbraw/zinc/19/08/22/642190822.db2.gz ORSXWOWPGZFTST-KRWDZBQOSA-N 1 3 321.421 2.434 20 5 DEBDHO CCCN1CCC([N@@H+](C)C[C@H](O)c2ccc([N+](=O)[O-])cc2)CC1 ZINC000776592047 642190827 /nfs/dbraw/zinc/19/08/27/642190827.db2.gz ORSXWOWPGZFTST-KRWDZBQOSA-N 1 3 321.421 2.434 20 5 DEBDHO CC(COC(=O)c1ccc(C[NH+]2CCCCC2)cc1)[N+](=O)[O-] ZINC000813105374 646729784 /nfs/dbraw/zinc/72/97/84/646729784.db2.gz YERJSFVPQIFDCM-CYBMUJFWSA-N 1 3 306.362 2.495 20 5 DEBDHO O=[N+]([O-])c1ccccc1OCCN1CCC([C@H]2CCC[NH2+]2)CC1 ZINC000420333780 229661163 /nfs/dbraw/zinc/66/11/63/229661163.db2.gz FRPOFVCBKIPNQV-OAHLLOKOSA-N 1 3 319.405 2.438 20 5 DEBDHO C[C@@H]1CCCN(CCOc2ccc([N+](=O)[O-])cc2)[C@@H]1CC[NH3+] ZINC000593733994 358132567 /nfs/dbraw/zinc/13/25/67/358132567.db2.gz QOKJWHZYAUOPSI-CZUORRHYSA-N 1 3 307.394 2.423 20 5 DEBDHO [NH3+][C@@H]1CCC[C@H]2CN(CCOc3cccc([N+](=O)[O-])c3)C[C@@H]21 ZINC000342106097 404370162 /nfs/dbraw/zinc/37/01/62/404370162.db2.gz OSBJGJJOULENJA-VBNZEHGJSA-N 1 3 305.378 2.033 20 5 DEBDHO COc1cc(CNCC[C@H]2CCC[NH2+]C2)c([N+](=O)[O-])cc1OC ZINC000414855671 404749541 /nfs/dbraw/zinc/74/95/41/404749541.db2.gz XENGBAOHHQVZLU-GFCCVEGCSA-N 1 3 323.393 2.091 20 5 DEBDHO C[C@H](CC(=O)Nc1cccc([N+](=O)[O-])c1)N[C@H]1CC[NH2+][C@H](C)C1 ZINC000414956241 404775371 /nfs/dbraw/zinc/77/53/71/404775371.db2.gz VBYAHBJUGGXLME-BZPMIXESSA-N 1 3 320.393 2.042 20 5 DEBDHO C[C@H](CC(=O)Nc1cccc([N+](=O)[O-])c1)[NH2+][C@H]1CCN[C@H](C)C1 ZINC000414956241 404775374 /nfs/dbraw/zinc/77/53/74/404775374.db2.gz VBYAHBJUGGXLME-BZPMIXESSA-N 1 3 320.393 2.042 20 5 DEBDHO CC(C)N(Cc1ccc([N+](=O)[O-])cc1)C[C@H]1CC2(C[NH2+]C2)CO1 ZINC000923309352 637109107 /nfs/dbraw/zinc/10/91/07/637109107.db2.gz KCYKGZIDUHQJPS-MRXNPFEDSA-N 1 3 319.405 2.184 20 5 DEBDHO O=[N+]([O-])c1ccn([C@@H]2CCCC[C@@H]2[NH2+]C[C@@H]2CCCCCN2)n1 ZINC000902482400 643056996 /nfs/dbraw/zinc/05/69/96/643056996.db2.gz KQQMTQQRUGIXSP-SOUVJXGZSA-N 1 3 321.425 2.397 20 5 DEBDHO CCC1([NH3+])CCN([C@H]2CCCC[C@H]2n2ccc([N+](=O)[O-])n2)CC1 ZINC000925757142 693336661 /nfs/dbraw/zinc/33/66/61/693336661.db2.gz CZGVJFUHZGQPRE-UONOGXRCSA-N 1 3 321.425 2.478 20 5 DEBDHO O=[N+]([O-])c1ccc(C[NH2+]Cc2ccnn2-c2ccncc2)cc1 ZINC001461089206 1058582866 /nfs/dbraw/zinc/58/28/66/1058582866.db2.gz PETCJRAEIIZIJR-UHFFFAOYSA-N 1 3 309.329 2.465 20 5 DEBDHO O=[N+]([O-])c1ccc(CNCc2ccnn2-c2cc[nH+]cc2)cc1 ZINC001461089206 1058582884 /nfs/dbraw/zinc/58/28/84/1058582884.db2.gz PETCJRAEIIZIJR-UHFFFAOYSA-N 1 3 309.329 2.465 20 5 DEBDHO C[NH+](C)[C@H]1CCCC[C@@H]1Nc1cc2c(cc1[N+](=O)[O-])CNC2 ZINC001168601749 1084129431 /nfs/dbraw/zinc/12/94/31/1084129431.db2.gz VFHXRLQAYXSKMQ-ZFWWWQNUSA-N 1 3 304.394 2.483 20 5 DEBDHO C[C@@H](CN)C[N@H+](C)C1CCN(c2ccc([N+](=O)[O-])cc2)CC1 ZINC001254470158 1143128995 /nfs/dbraw/zinc/12/89/95/1143128995.db2.gz QBNSTSBVXZLHGI-ZDUSSCGKSA-N 1 3 306.410 2.090 20 5 DEBDHO C[C@@H](CN)C[N@@H+](C)C1CCN(c2ccc([N+](=O)[O-])cc2)CC1 ZINC001254470158 1143128999 /nfs/dbraw/zinc/12/89/99/1143128999.db2.gz QBNSTSBVXZLHGI-ZDUSSCGKSA-N 1 3 306.410 2.090 20 5 DEBDHO O=[N+]([O-])c1ccn(C2CC[NH+](CCCN3CCCCC3)CC2)n1 ZINC000369683921 404192499 /nfs/dbraw/zinc/19/24/99/404192499.db2.gz QKVFRKZTVKROMX-UHFFFAOYSA-N 1 3 321.425 2.304 20 5 DEBDHO COc1cc(CNC[C@H]2CCC[C@H]([NH3+])C2)c([N+](=O)[O-])cc1OC ZINC000415000750 404785252 /nfs/dbraw/zinc/78/52/52/404785252.db2.gz UCJOPVXEZUWNKR-AAEUAGOBSA-N 1 3 323.393 2.219 20 5 DEBDHO O=[N+]([O-])c1cccc(OCCN2CCC([C@H]3CCC[NH2+]3)CC2)c1 ZINC000420332569 405322669 /nfs/dbraw/zinc/32/26/69/405322669.db2.gz DFZGXMAYTVGRIM-QGZVFWFLSA-N 1 3 319.405 2.438 20 5 DEBDHO COc1c([O-])ccc(C[NH2+]CCCC[N@H+](C)C2CC2)c1[N+](=O)[O-] ZINC000894806760 637218995 /nfs/dbraw/zinc/21/89/95/637218995.db2.gz KPXFFRMDAIHYPZ-UHFFFAOYSA-N 1 3 323.393 2.273 20 5 DEBDHO COc1c([O-])ccc(C[NH2+]CCCC[N@@H+](C)C2CC2)c1[N+](=O)[O-] ZINC000894806760 637218998 /nfs/dbraw/zinc/21/89/98/637218998.db2.gz KPXFFRMDAIHYPZ-UHFFFAOYSA-N 1 3 323.393 2.273 20 5 DEBDHO CC(C)N1CCC[C@H](C[NH2+]C2CC(n3cc([N+](=O)[O-])cn3)C2)C1 ZINC000877019760 689998925 /nfs/dbraw/zinc/99/89/25/689998925.db2.gz DJWMDKOBGRIASA-WLYUNCDWSA-N 1 3 321.425 2.205 20 5 DEBDHO CCC(CC)(C[NH3+])CN1CC[C@@H](Nc2ccc([N+](=O)[O-])cn2)C1 ZINC001577050761 1066753441 /nfs/dbraw/zinc/75/34/41/1066753441.db2.gz CNRPKANQYTYGCX-CYBMUJFWSA-N 1 3 321.425 2.241 20 5 DEBDHO CC[NH+]1CCC(CN[C@@](C)(CO)c2cccc([N+](=O)[O-])c2)CC1 ZINC001665450985 1081030999 /nfs/dbraw/zinc/03/09/99/1081030999.db2.gz YQASHOOKICWNEP-KRWDZBQOSA-N 1 3 321.421 2.124 20 5 DEBDHO O=[N+]([O-])c1cccc(N2CCN(CCC3CC[NH2+]CC3)CC2)c1 ZINC000359227423 147286189 /nfs/dbraw/zinc/28/61/89/147286189.db2.gz WHQHJCSHBSXUBV-UHFFFAOYSA-N 1 3 318.421 2.107 20 5 DEBDHO Cc1c(CN2CCC(OCCC[NH3+])CC2)cccc1[N+](=O)[O-] ZINC000336855849 403930101 /nfs/dbraw/zinc/93/01/01/403930101.db2.gz ZNDIMUJSENDJAA-UHFFFAOYSA-N 1 3 307.394 2.233 20 5 DEBDHO Cc1ccc(CN(C)CCC[N@@H+](C)CCN(C)C)cc1[N+](=O)[O-] ZINC000290212445 404083300 /nfs/dbraw/zinc/08/33/00/404083300.db2.gz QSYHAKZCJRDCOR-UHFFFAOYSA-N 1 3 322.453 2.219 20 5 DEBDHO Cc1ccc(CN(C)CCC[N@H+](C)CCN(C)C)cc1[N+](=O)[O-] ZINC000290212445 404083306 /nfs/dbraw/zinc/08/33/06/404083306.db2.gz QSYHAKZCJRDCOR-UHFFFAOYSA-N 1 3 322.453 2.219 20 5 DEBDHO C[C@H]1C[C@@H](CN2CCN(c3ccccc3[N+](=O)[O-])CC2)CC[NH2+]1 ZINC000414678433 404706938 /nfs/dbraw/zinc/70/69/38/404706938.db2.gz XWSNPHNFPXXUAD-GJZGRUSLSA-N 1 3 318.421 2.105 20 5 DEBDHO COc1c([O-])ccc(C[NH2+]CCC2CC[NH+](C)CC2)c1[N+](=O)[O-] ZINC001119943975 795376792 /nfs/dbraw/zinc/37/67/92/795376792.db2.gz XXDODFOWMWUSDM-UHFFFAOYSA-N 1 3 323.393 2.131 20 5 DEBDHO Cc1ncc([N+](=O)[O-])n1CCN(C)CCCC[NH+]1CCCCC1 ZINC000603119683 360707914 /nfs/dbraw/zinc/70/79/14/360707914.db2.gz KPBIZVYMURBGKV-UHFFFAOYSA-N 1 3 323.441 2.298 20 5 DEBDHO CN(CCN(C)C1CC[NH+](C)CC1)Cc1cccc([N+](=O)[O-])c1 ZINC000177376352 402396251 /nfs/dbraw/zinc/39/62/51/402396251.db2.gz UEIDJHNXNDCCAR-UHFFFAOYSA-N 1 3 320.437 2.053 20 5 DEBDHO CC(C)C[C@@H](C[NH3+])N[C@H](C)CC(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000414835201 404744822 /nfs/dbraw/zinc/74/48/22/404744822.db2.gz HKAUTIZGWDFUJL-OCCSQVGLSA-N 1 3 322.409 2.275 20 5 DEBDHO [NH3+]C[C@H]1CC[C@H](NCc2cc([N+](=O)[O-])ccc2OC(F)F)C1 ZINC000415029599 404790943 /nfs/dbraw/zinc/79/09/43/404790943.db2.gz DZCQOYPEXREPRH-ONGXEEELSA-N 1 3 315.320 2.413 20 5 DEBDHO C[C@]1(C[NH2+][C@H]2CCCC[C@@H]2n2ccc([N+](=O)[O-])n2)CCCNC1 ZINC000423344736 280159258 /nfs/dbraw/zinc/15/92/58/280159258.db2.gz ONCBBLVSPWZIHZ-DZKIICNBSA-N 1 3 321.425 2.254 20 5 DEBDHO C[C@]1(CN[C@H]2CCCC[C@@H]2n2ccc([N+](=O)[O-])n2)CCC[NH2+]C1 ZINC000423344736 280159261 /nfs/dbraw/zinc/15/92/61/280159261.db2.gz ONCBBLVSPWZIHZ-DZKIICNBSA-N 1 3 321.425 2.254 20 5 DEBDHO C[C@@H]1CC[NH2+]C[C@H]1NC1CCN(c2ccc([N+](=O)[O-])cc2)CC1 ZINC000841058032 650417102 /nfs/dbraw/zinc/41/71/02/650417102.db2.gz FRRVVNKJNNIRDF-CXAGYDPISA-N 1 3 318.421 2.151 20 5 DEBDHO O=[N+]([O-])c1ccc(N2CCN(CCC3CC[NH2+]CC3)CC2)cc1 ZINC000843356274 650956510 /nfs/dbraw/zinc/95/65/10/650956510.db2.gz LMTFEDXUDNZWHV-UHFFFAOYSA-N 1 3 318.421 2.107 20 5 DEBDHO O=[N+]([O-])c1cccc([C@@H](O)C[NH2+]C2CCN(CC3CC3)CC2)c1 ZINC000818967043 647551269 /nfs/dbraw/zinc/55/12/69/647551269.db2.gz QILFTQQNIVNODA-KRWDZBQOSA-N 1 3 319.405 2.092 20 5 DEBDHO CN(C)[C@@H]1CCC[C@@H]([NH2+]C[C@@H](O)c2ccc([N+](=O)[O-])cc2)C1 ZINC000819133355 647589889 /nfs/dbraw/zinc/58/98/89/647589889.db2.gz OOQRZMUFKVDIBZ-FVQBIDKESA-N 1 3 307.394 2.091 20 5 DEBDHO C[NH+]1CCC2(CCN(Cc3cccnc3[N+](=O)[O-])CC2)CC1 ZINC000886305924 692050231 /nfs/dbraw/zinc/05/02/31/692050231.db2.gz ULGPTTCXJHFMAR-UHFFFAOYSA-N 1 3 304.394 2.298 20 5 DEBDHO O=[N+]([O-])c1ccccc1C[C@H]1CCC[C@@H]1N[C@@H]1[C@H]2C[NH2+]C[C@H]21 ZINC000415069830 285162775 /nfs/dbraw/zinc/16/27/75/285162775.db2.gz XPJMWFBNXQBHAF-ZJBDGZLFSA-N 1 3 301.390 2.113 20 5 DEBDHO [NH3+][C@@H]1CCC[C@@H]2CN(CCOc3ccc([N+](=O)[O-])cc3)C[C@H]21 ZINC000342094234 404362226 /nfs/dbraw/zinc/36/22/26/404362226.db2.gz FCPFXOJZLLDNOA-DAXOMENPSA-N 1 3 305.378 2.033 20 5 DEBDHO CCOc1ccc([N+](=O)[O-])cc1CN1CC[C@H]2C[NH2+]C[C@H]2CC1 ZINC000414770535 404730040 /nfs/dbraw/zinc/73/00/40/404730040.db2.gz OZZAJVNWHCVHBV-OKILXGFUSA-N 1 3 319.405 2.425 20 5 DEBDHO C[C@@H](CC(=O)Nc1cccc([N+](=O)[O-])c1)[NH2+][C@@H]1CCN[C@H](C)C1 ZINC000414956248 404775426 /nfs/dbraw/zinc/77/54/26/404775426.db2.gz VBYAHBJUGGXLME-MBNYWOFBSA-N 1 3 320.393 2.042 20 5 DEBDHO C[C@@H](CC(=O)Nc1cccc([N+](=O)[O-])c1)N[C@@H]1CC[NH2+][C@H](C)C1 ZINC000414956248 404775423 /nfs/dbraw/zinc/77/54/23/404775423.db2.gz VBYAHBJUGGXLME-MBNYWOFBSA-N 1 3 320.393 2.042 20 5 DEBDHO Cc1ccc([N+](=O)[O-])cc1[C@H](C)[NH2+]CC1(O)CCN(C)CC1 ZINC000531976445 406030888 /nfs/dbraw/zinc/03/08/88/406030888.db2.gz GQCXUVDVIZCDDB-ZDUSSCGKSA-N 1 3 307.394 2.011 20 5 DEBDHO C[C@@H](NCCN1CCC([NH+](C)C)CC1)c1cccc([N+](=O)[O-])c1 ZINC000160149843 525445435 /nfs/dbraw/zinc/44/54/35/525445435.db2.gz HMXLTAYVCQOCRC-CQSZACIVSA-N 1 3 320.437 2.271 20 5 DEBDHO C[C@@H](c1ccccc1[N+](=O)[O-])N1CCC2(CO[C@@H](C[NH3+])C2)CC1 ZINC000923449712 637188299 /nfs/dbraw/zinc/18/82/99/637188299.db2.gz QEEGWVSXQKTSBC-UONOGXRCSA-N 1 3 319.405 2.486 20 5 DEBDHO CCCCN1CCC([NH2+]C[C@@H](O)c2ccc([N+](=O)[O-])cc2)CC1 ZINC000819043998 647571117 /nfs/dbraw/zinc/57/11/17/647571117.db2.gz XDHDPIQTEYQGRI-QGZVFWFLSA-N 1 3 321.421 2.482 20 5 DEBDHO